Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:27:35 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 43 13 848 848 150 Max 44 44 14 852 852 153 Sum 1571 1571 497 30591 30591 5439 bravais-lattice index = 14 lattice parameter (alat) = 9.4616 a.u. unit-cell volume = 217.1663 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry convergence threshold = 1.0E-08 mixing beta = 0.7000 number of iterations used = 8 plain mixing Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.461633 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.843597 celldm(5)= 0.843597 celldm(6)= 0.843597 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.843597 0.536977 0.000000 ) a(3) = ( 0.843597 0.245711 0.477462 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.571013 -0.958363 ) b(2) = ( 0.000000 1.862279 -0.958363 ) b(3) = ( 0.000000 0.000000 2.094407 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 666 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0007513 k( 2) = ( 0.0000000 0.0000000 0.1904007), wk = 0.0015026 k( 3) = ( 0.0000000 0.0000000 0.3808013), wk = 0.0015026 k( 4) = ( 0.0000000 0.0000000 0.5712020), wk = 0.0015026 k( 5) = ( 0.0000000 0.0000000 0.7616027), wk = 0.0015026 k( 6) = ( 0.0000000 0.0000000 0.9520034), wk = 0.0015026 k( 7) = ( 0.0000000 0.1692981 -0.0871240), wk = 0.0015026 k( 8) = ( 0.0000000 0.1692981 0.1032767), wk = 0.0015026 k( 9) = ( 0.0000000 0.1692981 0.2936774), wk = 0.0015026 k( 10) = ( 0.0000000 0.1692981 0.4840781), wk = 0.0015026 k( 11) = ( 0.0000000 0.1692981 0.6744787), wk = 0.0015026 k( 12) = ( 0.0000000 0.1692981 0.8648794), wk = 0.0015026 k( 13) = ( 0.0000000 0.1692981 -1.0391273), wk = 0.0015026 k( 14) = ( 0.0000000 0.1692981 -0.8487266), wk = 0.0015026 k( 15) = ( 0.0000000 0.1692981 -0.6583260), wk = 0.0015026 k( 16) = ( 0.0000000 0.1692981 -0.4679253), wk = 0.0015026 k( 17) = ( 0.0000000 0.1692981 -0.2775246), wk = 0.0015026 k( 18) = ( 0.0000000 0.3385961 -0.1742479), wk = 0.0015026 k( 19) = ( 0.0000000 0.3385961 0.0161528), wk = 0.0015026 k( 20) = ( 0.0000000 0.3385961 0.2065534), wk = 0.0015026 k( 21) = ( 0.0000000 0.3385961 0.3969541), wk = 0.0015026 k( 22) = ( 0.0000000 0.3385961 0.5873548), wk = 0.0015026 k( 23) = ( 0.0000000 0.3385961 0.7777555), wk = 0.0015026 k( 24) = ( 0.0000000 0.3385961 -1.1262513), wk = 0.0015026 k( 25) = ( 0.0000000 0.3385961 -0.9358506), wk = 0.0015026 k( 26) = ( 0.0000000 0.3385961 -0.7454499), wk = 0.0015026 k( 27) = ( 0.0000000 0.3385961 -0.5550492), wk = 0.0015026 k( 28) = ( 0.0000000 0.3385961 -0.3646486), wk = 0.0015026 k( 29) = ( 0.0000000 0.5078942 -0.2613719), wk = 0.0015026 k( 30) = ( 0.0000000 0.5078942 -0.0709712), wk = 0.0015026 k( 31) = ( 0.0000000 0.5078942 0.1194295), wk = 0.0015026 k( 32) = ( 0.0000000 0.5078942 0.3098302), wk = 0.0015026 k( 33) = ( 0.0000000 0.5078942 0.5002308), wk = 0.0015026 k( 34) = ( 0.0000000 0.5078942 0.6906315), wk = 0.0015026 k( 35) = ( 0.0000000 0.5078942 -1.2133752), wk = 0.0015026 k( 36) = ( 0.0000000 0.5078942 -1.0229745), wk = 0.0015026 k( 37) = ( 0.0000000 0.5078942 -0.8325739), wk = 0.0015026 k( 38) = ( 0.0000000 0.5078942 -0.6421732), wk = 0.0015026 k( 39) = ( 0.0000000 0.5078942 -0.4517725), wk = 0.0015026 k( 40) = ( 0.0000000 0.6771922 -0.3484958), wk = 0.0015026 k( 41) = ( 0.0000000 0.6771922 -0.1580951), wk = 0.0015026 k( 42) = ( 0.0000000 0.6771922 0.0323055), wk = 0.0015026 k( 43) = ( 0.0000000 0.6771922 0.2227062), wk = 0.0015026 k( 44) = ( 0.0000000 0.6771922 0.4131069), wk = 0.0015026 k( 45) = ( 0.0000000 0.6771922 0.6035076), wk = 0.0015026 k( 46) = ( 0.0000000 0.6771922 -1.3004992), wk = 0.0015026 k( 47) = ( 0.0000000 0.6771922 -1.1100985), wk = 0.0015026 k( 48) = ( 0.0000000 0.6771922 -0.9196978), wk = 0.0015026 k( 49) = ( 0.0000000 0.6771922 -0.7292972), wk = 0.0015026 k( 50) = ( 0.0000000 0.6771922 -0.5388965), wk = 0.0015026 k( 51) = ( 0.0000000 0.8464903 -0.4356198), wk = 0.0015026 k( 52) = ( 0.0000000 0.8464903 -0.2452191), wk = 0.0015026 k( 53) = ( 0.0000000 0.8464903 -0.0548184), wk = 0.0015026 k( 54) = ( 0.0000000 0.8464903 0.1355823), wk = 0.0015026 k( 55) = ( 0.0000000 0.8464903 0.3259829), wk = 0.0015026 k( 56) = ( 0.0000000 0.8464903 0.5163836), wk = 0.0015026 k( 57) = ( 0.0000000 0.8464903 -1.3876231), wk = 0.0015026 k( 58) = ( 0.0000000 0.8464903 -1.1972224), wk = 0.0015026 k( 59) = ( 0.0000000 0.8464903 -1.0068218), wk = 0.0015026 k( 60) = ( 0.0000000 0.8464903 -0.8164211), wk = 0.0015026 k( 61) = ( 0.0000000 0.8464903 -0.6260204), wk = 0.0015026 k( 62) = ( 0.0909091 -0.1428194 -0.0871240), wk = 0.0015026 k( 63) = ( 0.0909091 -0.1428194 0.1032767), wk = 0.0015026 k( 64) = ( 0.0909091 -0.1428194 0.2936774), wk = 0.0015026 k( 65) = ( 0.0909091 -0.1428194 0.4840781), wk = 0.0015026 k( 66) = ( 0.0909091 -0.1428194 0.6744787), wk = 0.0015026 k( 67) = ( 0.0909091 -0.1428194 0.8648794), wk = 0.0015026 k( 68) = ( 0.0909091 -0.1428194 -1.0391273), wk = 0.0015026 k( 69) = ( 0.0909091 -0.1428194 -0.8487266), wk = 0.0015026 k( 70) = ( 0.0909091 -0.1428194 -0.6583260), wk = 0.0015026 k( 71) = ( 0.0909091 -0.1428194 -0.4679253), wk = 0.0015026 k( 72) = ( 0.0909091 -0.1428194 -0.2775246), wk = 0.0015026 k( 73) = ( 0.0909091 0.0264787 -0.1742479), wk = 0.0015026 k( 74) = ( 0.0909091 0.0264787 0.0161528), wk = 0.0015026 k( 75) = ( 0.0909091 0.0264787 0.2065534), wk = 0.0015026 k( 76) = ( 0.0909091 0.0264787 0.3969541), wk = 0.0015026 k( 77) = ( 0.0909091 0.0264787 0.5873548), wk = 0.0015026 k( 78) = ( 0.0909091 0.0264787 0.7777555), wk = 0.0015026 k( 79) = ( 0.0909091 0.0264787 -1.1262513), wk = 0.0015026 k( 80) = ( 0.0909091 0.0264787 -0.9358506), wk = 0.0015026 k( 81) = ( 0.0909091 0.0264787 -0.7454499), wk = 0.0015026 k( 82) = ( 0.0909091 0.0264787 -0.5550492), wk = 0.0015026 k( 83) = ( 0.0909091 0.0264787 -0.3646486), wk = 0.0015026 k( 84) = ( 0.0909091 0.1957768 -0.2613719), wk = 0.0015026 k( 85) = ( 0.0909091 0.1957768 -0.0709712), wk = 0.0015026 k( 86) = ( 0.0909091 0.1957768 0.1194295), wk = 0.0015026 k( 87) = ( 0.0909091 0.1957768 0.3098302), wk = 0.0015026 k( 88) = ( 0.0909091 0.1957768 0.5002308), wk = 0.0015026 k( 89) = ( 0.0909091 0.1957768 0.6906315), wk = 0.0015026 k( 90) = ( 0.0909091 0.1957768 -1.2133752), wk = 0.0015026 k( 91) = ( 0.0909091 0.1957768 -1.0229745), wk = 0.0015026 k( 92) = ( 0.0909091 0.1957768 -0.8325739), wk = 0.0015026 k( 93) = ( 0.0909091 0.1957768 -0.6421732), wk = 0.0015026 k( 94) = ( 0.0909091 0.1957768 -0.4517725), wk = 0.0015026 k( 95) = ( 0.0909091 0.3650748 -0.3484958), wk = 0.0015026 k( 96) = ( 0.0909091 0.3650748 -0.1580951), wk = 0.0015026 k( 97) = ( 0.0909091 0.3650748 0.0323055), wk = 0.0015026 k( 98) = ( 0.0909091 0.3650748 0.2227062), wk = 0.0015026 k( 99) = ( 0.0909091 0.3650748 0.4131069), wk = 0.0015026 k( 100) = ( 0.0909091 0.3650748 0.6035076), wk = 0.0015026 k( 101) = ( 0.0909091 0.3650748 -1.3004992), wk = 0.0015026 k( 102) = ( 0.0909091 0.3650748 -1.1100985), wk = 0.0015026 k( 103) = ( 0.0909091 0.3650748 -0.9196978), wk = 0.0015026 k( 104) = ( 0.0909091 0.3650748 -0.7292972), wk = 0.0015026 k( 105) = ( 0.0909091 0.3650748 -0.5388965), wk = 0.0015026 k( 106) = ( 0.0909091 0.5343729 -0.4356198), wk = 0.0015026 k( 107) = ( 0.0909091 0.5343729 -0.2452191), wk = 0.0015026 k( 108) = ( 0.0909091 0.5343729 -0.0548184), wk = 0.0015026 k( 109) = ( 0.0909091 0.5343729 0.1355823), wk = 0.0015026 k( 110) = ( 0.0909091 0.5343729 0.3259829), wk = 0.0015026 k( 111) = ( 0.0909091 0.5343729 0.5163836), wk = 0.0015026 k( 112) = ( 0.0909091 0.5343729 -1.3876231), wk = 0.0015026 k( 113) = ( 0.0909091 0.5343729 -1.1972224), wk = 0.0015026 k( 114) = ( 0.0909091 0.5343729 -1.0068218), wk = 0.0015026 k( 115) = ( 0.0909091 0.5343729 -0.8164211), wk = 0.0015026 k( 116) = ( 0.0909091 0.5343729 -0.6260204), wk = 0.0015026 k( 117) = ( 0.0909091 0.7036709 -0.5227437), wk = 0.0015026 k( 118) = ( 0.0909091 0.7036709 -0.3323430), wk = 0.0015026 k( 119) = ( 0.0909091 0.7036709 -0.1419424), wk = 0.0015026 k( 120) = ( 0.0909091 0.7036709 0.0484583), wk = 0.0015026 k( 121) = ( 0.0909091 0.7036709 0.2388590), wk = 0.0015026 k( 122) = ( 0.0909091 0.7036709 0.4292597), wk = 0.0015026 k( 123) = ( 0.0909091 0.7036709 -1.4747471), wk = 0.0015026 k( 124) = ( 0.0909091 0.7036709 -1.2843464), wk = 0.0015026 k( 125) = ( 0.0909091 0.7036709 -1.0939457), wk = 0.0015026 k( 126) = ( 0.0909091 0.7036709 -0.9035451), wk = 0.0015026 k( 127) = ( 0.0909091 0.7036709 -0.7131444), wk = 0.0015026 k( 128) = ( 0.0909091 -0.9893097 0.3484958), wk = 0.0015026 k( 129) = ( 0.0909091 -0.9893097 0.5388965), wk = 0.0015026 k( 130) = ( 0.0909091 -0.9893097 0.7292972), wk = 0.0015026 k( 131) = ( 0.0909091 -0.9893097 0.9196978), wk = 0.0015026 k( 132) = ( 0.0909091 -0.9893097 1.1100985), wk = 0.0015026 k( 133) = ( 0.0909091 -0.9893097 1.3004992), wk = 0.0015026 k( 134) = ( 0.0909091 -0.9893097 -0.6035076), wk = 0.0015026 k( 135) = ( 0.0909091 -0.9893097 -0.4131069), wk = 0.0015026 k( 136) = ( 0.0909091 -0.9893097 -0.2227062), wk = 0.0015026 k( 137) = ( 0.0909091 -0.9893097 -0.0323055), wk = 0.0015026 k( 138) = ( 0.0909091 -0.9893097 0.1580951), wk = 0.0015026 k( 139) = ( 0.0909091 -0.8200116 0.2613719), wk = 0.0015026 k( 140) = ( 0.0909091 -0.8200116 0.4517725), wk = 0.0015026 k( 141) = ( 0.0909091 -0.8200116 0.6421732), wk = 0.0015026 k( 142) = ( 0.0909091 -0.8200116 0.8325739), wk = 0.0015026 k( 143) = ( 0.0909091 -0.8200116 1.0229745), wk = 0.0015026 k( 144) = ( 0.0909091 -0.8200116 1.2133752), wk = 0.0015026 k( 145) = ( 0.0909091 -0.8200116 -0.6906315), wk = 0.0015026 k( 146) = ( 0.0909091 -0.8200116 -0.5002308), wk = 0.0015026 k( 147) = ( 0.0909091 -0.8200116 -0.3098302), wk = 0.0015026 k( 148) = ( 0.0909091 -0.8200116 -0.1194295), wk = 0.0015026 k( 149) = ( 0.0909091 -0.8200116 0.0709712), wk = 0.0015026 k( 150) = ( 0.0909091 -0.6507136 0.1742479), wk = 0.0015026 k( 151) = ( 0.0909091 -0.6507136 0.3646486), wk = 0.0015026 k( 152) = ( 0.0909091 -0.6507136 0.5550492), wk = 0.0015026 k( 153) = ( 0.0909091 -0.6507136 0.7454499), wk = 0.0015026 k( 154) = ( 0.0909091 -0.6507136 0.9358506), wk = 0.0015026 k( 155) = ( 0.0909091 -0.6507136 1.1262513), wk = 0.0015026 k( 156) = ( 0.0909091 -0.6507136 -0.7777555), wk = 0.0015026 k( 157) = ( 0.0909091 -0.6507136 -0.5873548), wk = 0.0015026 k( 158) = ( 0.0909091 -0.6507136 -0.3969541), wk = 0.0015026 k( 159) = ( 0.0909091 -0.6507136 -0.2065534), wk = 0.0015026 k( 160) = ( 0.0909091 -0.6507136 -0.0161528), wk = 0.0015026 k( 161) = ( 0.0909091 -0.4814155 0.0871240), wk = 0.0015026 k( 162) = ( 0.0909091 -0.4814155 0.2775246), wk = 0.0015026 k( 163) = ( 0.0909091 -0.4814155 0.4679253), wk = 0.0015026 k( 164) = ( 0.0909091 -0.4814155 0.6583260), wk = 0.0015026 k( 165) = ( 0.0909091 -0.4814155 0.8487266), wk = 0.0015026 k( 166) = ( 0.0909091 -0.4814155 1.0391273), wk = 0.0015026 k( 167) = ( 0.0909091 -0.4814155 -0.8648794), wk = 0.0015026 k( 168) = ( 0.0909091 -0.4814155 -0.6744787), wk = 0.0015026 k( 169) = ( 0.0909091 -0.4814155 -0.4840781), wk = 0.0015026 k( 170) = ( 0.0909091 -0.4814155 -0.2936774), wk = 0.0015026 k( 171) = ( 0.0909091 -0.4814155 -0.1032767), wk = 0.0015026 k( 172) = ( 0.0909091 -0.3121174 0.0000000), wk = 0.0015026 k( 173) = ( 0.0909091 -0.3121174 0.1904007), wk = 0.0015026 k( 174) = ( 0.0909091 -0.3121174 0.3808013), wk = 0.0015026 k( 175) = ( 0.0909091 -0.3121174 0.5712020), wk = 0.0015026 k( 176) = ( 0.0909091 -0.3121174 0.7616027), wk = 0.0015026 k( 177) = ( 0.0909091 -0.3121174 0.9520034), wk = 0.0015026 k( 178) = ( 0.0909091 -0.3121174 -0.9520034), wk = 0.0015026 k( 179) = ( 0.0909091 -0.3121174 -0.7616027), wk = 0.0015026 k( 180) = ( 0.0909091 -0.3121174 -0.5712020), wk = 0.0015026 k( 181) = ( 0.0909091 -0.3121174 -0.3808013), wk = 0.0015026 k( 182) = ( 0.0909091 -0.3121174 -0.1904007), wk = 0.0015026 k( 183) = ( 0.1818182 -0.2856387 -0.1742479), wk = 0.0015026 k( 184) = ( 0.1818182 -0.2856387 0.0161528), wk = 0.0015026 k( 185) = ( 0.1818182 -0.2856387 0.2065534), wk = 0.0015026 k( 186) = ( 0.1818182 -0.2856387 0.3969541), wk = 0.0015026 k( 187) = ( 0.1818182 -0.2856387 0.5873548), wk = 0.0015026 k( 188) = ( 0.1818182 -0.2856387 0.7777555), wk = 0.0015026 k( 189) = ( 0.1818182 -0.2856387 -1.1262513), wk = 0.0015026 k( 190) = ( 0.1818182 -0.2856387 -0.9358506), wk = 0.0015026 k( 191) = ( 0.1818182 -0.2856387 -0.7454499), wk = 0.0015026 k( 192) = ( 0.1818182 -0.2856387 -0.5550492), wk = 0.0015026 k( 193) = ( 0.1818182 -0.2856387 -0.3646486), wk = 0.0015026 k( 194) = ( 0.1818182 -0.1163407 -0.2613719), wk = 0.0015026 k( 195) = ( 0.1818182 -0.1163407 -0.0709712), wk = 0.0015026 k( 196) = ( 0.1818182 -0.1163407 0.1194295), wk = 0.0015026 k( 197) = ( 0.1818182 -0.1163407 0.3098302), wk = 0.0015026 k( 198) = ( 0.1818182 -0.1163407 0.5002308), wk = 0.0015026 k( 199) = ( 0.1818182 -0.1163407 0.6906315), wk = 0.0015026 k( 200) = ( 0.1818182 -0.1163407 -1.2133752), wk = 0.0015026 k( 201) = ( 0.1818182 -0.1163407 -1.0229745), wk = 0.0015026 k( 202) = ( 0.1818182 -0.1163407 -0.8325739), wk = 0.0015026 k( 203) = ( 0.1818182 -0.1163407 -0.6421732), wk = 0.0015026 k( 204) = ( 0.1818182 -0.1163407 -0.4517725), wk = 0.0015026 k( 205) = ( 0.1818182 0.0529574 -0.3484958), wk = 0.0015026 k( 206) = ( 0.1818182 0.0529574 -0.1580951), wk = 0.0015026 k( 207) = ( 0.1818182 0.0529574 0.0323055), wk = 0.0015026 k( 208) = ( 0.1818182 0.0529574 0.2227062), wk = 0.0015026 k( 209) = ( 0.1818182 0.0529574 0.4131069), wk = 0.0015026 k( 210) = ( 0.1818182 0.0529574 0.6035076), wk = 0.0015026 k( 211) = ( 0.1818182 0.0529574 -1.3004992), wk = 0.0015026 k( 212) = ( 0.1818182 0.0529574 -1.1100985), wk = 0.0015026 k( 213) = ( 0.1818182 0.0529574 -0.9196978), wk = 0.0015026 k( 214) = ( 0.1818182 0.0529574 -0.7292972), wk = 0.0015026 k( 215) = ( 0.1818182 0.0529574 -0.5388965), wk = 0.0015026 k( 216) = ( 0.1818182 0.2222555 -0.4356198), wk = 0.0015026 k( 217) = ( 0.1818182 0.2222555 -0.2452191), wk = 0.0015026 k( 218) = ( 0.1818182 0.2222555 -0.0548184), wk = 0.0015026 k( 219) = ( 0.1818182 0.2222555 0.1355823), wk = 0.0015026 k( 220) = ( 0.1818182 0.2222555 0.3259829), wk = 0.0015026 k( 221) = ( 0.1818182 0.2222555 0.5163836), wk = 0.0015026 k( 222) = ( 0.1818182 0.2222555 -1.3876231), wk = 0.0015026 k( 223) = ( 0.1818182 0.2222555 -1.1972224), wk = 0.0015026 k( 224) = ( 0.1818182 0.2222555 -1.0068218), wk = 0.0015026 k( 225) = ( 0.1818182 0.2222555 -0.8164211), wk = 0.0015026 k( 226) = ( 0.1818182 0.2222555 -0.6260204), wk = 0.0015026 k( 227) = ( 0.1818182 0.3915535 -0.5227437), wk = 0.0015026 k( 228) = ( 0.1818182 0.3915535 -0.3323430), wk = 0.0015026 k( 229) = ( 0.1818182 0.3915535 -0.1419424), wk = 0.0015026 k( 230) = ( 0.1818182 0.3915535 0.0484583), wk = 0.0015026 k( 231) = ( 0.1818182 0.3915535 0.2388590), wk = 0.0015026 k( 232) = ( 0.1818182 0.3915535 0.4292597), wk = 0.0015026 k( 233) = ( 0.1818182 0.3915535 -1.4747471), wk = 0.0015026 k( 234) = ( 0.1818182 0.3915535 -1.2843464), wk = 0.0015026 k( 235) = ( 0.1818182 0.3915535 -1.0939457), wk = 0.0015026 k( 236) = ( 0.1818182 0.3915535 -0.9035451), wk = 0.0015026 k( 237) = ( 0.1818182 0.3915535 -0.7131444), wk = 0.0015026 k( 238) = ( 0.1818182 0.5608516 -0.6098677), wk = 0.0015026 k( 239) = ( 0.1818182 0.5608516 -0.4194670), wk = 0.0015026 k( 240) = ( 0.1818182 0.5608516 -0.2290663), wk = 0.0015026 k( 241) = ( 0.1818182 0.5608516 -0.0386656), wk = 0.0015026 k( 242) = ( 0.1818182 0.5608516 0.1517350), wk = 0.0015026 k( 243) = ( 0.1818182 0.5608516 0.3421357), wk = 0.0015026 k( 244) = ( 0.1818182 0.5608516 -1.5618710), wk = 0.0015026 k( 245) = ( 0.1818182 0.5608516 -1.3714704), wk = 0.0015026 k( 246) = ( 0.1818182 0.5608516 -1.1810697), wk = 0.0015026 k( 247) = ( 0.1818182 0.5608516 -0.9906690), wk = 0.0015026 k( 248) = ( 0.1818182 0.5608516 -0.8002683), wk = 0.0015026 k( 249) = ( 0.1818182 -1.1321290 0.2613719), wk = 0.0015026 k( 250) = ( 0.1818182 -1.1321290 0.4517725), wk = 0.0015026 k( 251) = ( 0.1818182 -1.1321290 0.6421732), wk = 0.0015026 k( 252) = ( 0.1818182 -1.1321290 0.8325739), wk = 0.0015026 k( 253) = ( 0.1818182 -1.1321290 1.0229745), wk = 0.0015026 k( 254) = ( 0.1818182 -1.1321290 1.2133752), wk = 0.0015026 k( 255) = ( 0.1818182 -1.1321290 -0.6906315), wk = 0.0015026 k( 256) = ( 0.1818182 -1.1321290 -0.5002308), wk = 0.0015026 k( 257) = ( 0.1818182 -1.1321290 -0.3098302), wk = 0.0015026 k( 258) = ( 0.1818182 -1.1321290 -0.1194295), wk = 0.0015026 k( 259) = ( 0.1818182 -1.1321290 0.0709712), wk = 0.0015026 k( 260) = ( 0.1818182 -0.9628310 0.1742479), wk = 0.0015026 k( 261) = ( 0.1818182 -0.9628310 0.3646486), wk = 0.0015026 k( 262) = ( 0.1818182 -0.9628310 0.5550492), wk = 0.0015026 k( 263) = ( 0.1818182 -0.9628310 0.7454499), wk = 0.0015026 k( 264) = ( 0.1818182 -0.9628310 0.9358506), wk = 0.0015026 k( 265) = ( 0.1818182 -0.9628310 1.1262513), wk = 0.0015026 k( 266) = ( 0.1818182 -0.9628310 -0.7777555), wk = 0.0015026 k( 267) = ( 0.1818182 -0.9628310 -0.5873548), wk = 0.0015026 k( 268) = ( 0.1818182 -0.9628310 -0.3969541), wk = 0.0015026 k( 269) = ( 0.1818182 -0.9628310 -0.2065534), wk = 0.0015026 k( 270) = ( 0.1818182 -0.9628310 -0.0161528), wk = 0.0015026 k( 271) = ( 0.1818182 -0.7935329 0.0871240), wk = 0.0015026 k( 272) = ( 0.1818182 -0.7935329 0.2775246), wk = 0.0015026 k( 273) = ( 0.1818182 -0.7935329 0.4679253), wk = 0.0015026 k( 274) = ( 0.1818182 -0.7935329 0.6583260), wk = 0.0015026 k( 275) = ( 0.1818182 -0.7935329 0.8487266), wk = 0.0015026 k( 276) = ( 0.1818182 -0.7935329 1.0391273), wk = 0.0015026 k( 277) = ( 0.1818182 -0.7935329 -0.8648794), wk = 0.0015026 k( 278) = ( 0.1818182 -0.7935329 -0.6744787), wk = 0.0015026 k( 279) = ( 0.1818182 -0.7935329 -0.4840781), wk = 0.0015026 k( 280) = ( 0.1818182 -0.7935329 -0.2936774), wk = 0.0015026 k( 281) = ( 0.1818182 -0.7935329 -0.1032767), wk = 0.0015026 k( 282) = ( 0.1818182 -0.6242349 0.0000000), wk = 0.0015026 k( 283) = ( 0.1818182 -0.6242349 0.1904007), wk = 0.0015026 k( 284) = ( 0.1818182 -0.6242349 0.3808013), wk = 0.0015026 k( 285) = ( 0.1818182 -0.6242349 0.5712020), wk = 0.0015026 k( 286) = ( 0.1818182 -0.6242349 0.7616027), wk = 0.0015026 k( 287) = ( 0.1818182 -0.6242349 0.9520034), wk = 0.0015026 k( 288) = ( 0.1818182 -0.6242349 -0.9520034), wk = 0.0015026 k( 289) = ( 0.1818182 -0.6242349 -0.7616027), wk = 0.0015026 k( 290) = ( 0.1818182 -0.6242349 -0.5712020), wk = 0.0015026 k( 291) = ( 0.1818182 -0.6242349 -0.3808013), wk = 0.0015026 k( 292) = ( 0.1818182 -0.6242349 -0.1904007), wk = 0.0015026 k( 293) = ( 0.1818182 -0.4549368 -0.0871240), wk = 0.0015026 k( 294) = ( 0.1818182 -0.4549368 0.1032767), wk = 0.0015026 k( 295) = ( 0.1818182 -0.4549368 0.2936774), wk = 0.0015026 k( 296) = ( 0.1818182 -0.4549368 0.4840781), wk = 0.0015026 k( 297) = ( 0.1818182 -0.4549368 0.6744787), wk = 0.0015026 k( 298) = ( 0.1818182 -0.4549368 0.8648794), wk = 0.0015026 k( 299) = ( 0.1818182 -0.4549368 -1.0391273), wk = 0.0015026 k( 300) = ( 0.1818182 -0.4549368 -0.8487266), wk = 0.0015026 k( 301) = ( 0.1818182 -0.4549368 -0.6583260), wk = 0.0015026 k( 302) = ( 0.1818182 -0.4549368 -0.4679253), wk = 0.0015026 k( 303) = ( 0.1818182 -0.4549368 -0.2775246), wk = 0.0015026 k( 304) = ( 0.2727273 -0.4284581 -0.2613719), wk = 0.0015026 k( 305) = ( 0.2727273 -0.4284581 -0.0709712), wk = 0.0015026 k( 306) = ( 0.2727273 -0.4284581 0.1194295), wk = 0.0015026 k( 307) = ( 0.2727273 -0.4284581 0.3098302), wk = 0.0015026 k( 308) = ( 0.2727273 -0.4284581 0.5002308), wk = 0.0015026 k( 309) = ( 0.2727273 -0.4284581 0.6906315), wk = 0.0015026 k( 310) = ( 0.2727273 -0.4284581 -1.2133752), wk = 0.0015026 k( 311) = ( 0.2727273 -0.4284581 -1.0229745), wk = 0.0015026 k( 312) = ( 0.2727273 -0.4284581 -0.8325739), wk = 0.0015026 k( 313) = ( 0.2727273 -0.4284581 -0.6421732), wk = 0.0015026 k( 314) = ( 0.2727273 -0.4284581 -0.4517725), wk = 0.0015026 k( 315) = ( 0.2727273 -0.2591600 -0.3484958), wk = 0.0015026 k( 316) = ( 0.2727273 -0.2591600 -0.1580951), wk = 0.0015026 k( 317) = ( 0.2727273 -0.2591600 0.0323055), wk = 0.0015026 k( 318) = ( 0.2727273 -0.2591600 0.2227062), wk = 0.0015026 k( 319) = ( 0.2727273 -0.2591600 0.4131069), wk = 0.0015026 k( 320) = ( 0.2727273 -0.2591600 0.6035076), wk = 0.0015026 k( 321) = ( 0.2727273 -0.2591600 -1.3004992), wk = 0.0015026 k( 322) = ( 0.2727273 -0.2591600 -1.1100985), wk = 0.0015026 k( 323) = ( 0.2727273 -0.2591600 -0.9196978), wk = 0.0015026 k( 324) = ( 0.2727273 -0.2591600 -0.7292972), wk = 0.0015026 k( 325) = ( 0.2727273 -0.2591600 -0.5388965), wk = 0.0015026 k( 326) = ( 0.2727273 -0.0898620 -0.4356198), wk = 0.0015026 k( 327) = ( 0.2727273 -0.0898620 -0.2452191), wk = 0.0015026 k( 328) = ( 0.2727273 -0.0898620 -0.0548184), wk = 0.0015026 k( 329) = ( 0.2727273 -0.0898620 0.1355823), wk = 0.0015026 k( 330) = ( 0.2727273 -0.0898620 0.3259829), wk = 0.0015026 k( 331) = ( 0.2727273 -0.0898620 0.5163836), wk = 0.0015026 k( 332) = ( 0.2727273 -0.0898620 -1.3876231), wk = 0.0015026 k( 333) = ( 0.2727273 -0.0898620 -1.1972224), wk = 0.0015026 k( 334) = ( 0.2727273 -0.0898620 -1.0068218), wk = 0.0015026 k( 335) = ( 0.2727273 -0.0898620 -0.8164211), wk = 0.0015026 k( 336) = ( 0.2727273 -0.0898620 -0.6260204), wk = 0.0015026 k( 337) = ( 0.2727273 0.0794361 -0.5227437), wk = 0.0015026 k( 338) = ( 0.2727273 0.0794361 -0.3323430), wk = 0.0015026 k( 339) = ( 0.2727273 0.0794361 -0.1419424), wk = 0.0015026 k( 340) = ( 0.2727273 0.0794361 0.0484583), wk = 0.0015026 k( 341) = ( 0.2727273 0.0794361 0.2388590), wk = 0.0015026 k( 342) = ( 0.2727273 0.0794361 0.4292597), wk = 0.0015026 k( 343) = ( 0.2727273 0.0794361 -1.4747471), wk = 0.0015026 k( 344) = ( 0.2727273 0.0794361 -1.2843464), wk = 0.0015026 k( 345) = ( 0.2727273 0.0794361 -1.0939457), wk = 0.0015026 k( 346) = ( 0.2727273 0.0794361 -0.9035451), wk = 0.0015026 k( 347) = ( 0.2727273 0.0794361 -0.7131444), wk = 0.0015026 k( 348) = ( 0.2727273 0.2487342 -0.6098677), wk = 0.0015026 k( 349) = ( 0.2727273 0.2487342 -0.4194670), wk = 0.0015026 k( 350) = ( 0.2727273 0.2487342 -0.2290663), wk = 0.0015026 k( 351) = ( 0.2727273 0.2487342 -0.0386656), wk = 0.0015026 k( 352) = ( 0.2727273 0.2487342 0.1517350), wk = 0.0015026 k( 353) = ( 0.2727273 0.2487342 0.3421357), wk = 0.0015026 k( 354) = ( 0.2727273 0.2487342 -1.5618710), wk = 0.0015026 k( 355) = ( 0.2727273 0.2487342 -1.3714704), wk = 0.0015026 k( 356) = ( 0.2727273 0.2487342 -1.1810697), wk = 0.0015026 k( 357) = ( 0.2727273 0.2487342 -0.9906690), wk = 0.0015026 k( 358) = ( 0.2727273 0.2487342 -0.8002683), wk = 0.0015026 k( 359) = ( 0.2727273 0.4180322 -0.6969916), wk = 0.0015026 k( 360) = ( 0.2727273 0.4180322 -0.5065909), wk = 0.0015026 k( 361) = ( 0.2727273 0.4180322 -0.3161903), wk = 0.0015026 k( 362) = ( 0.2727273 0.4180322 -0.1257896), wk = 0.0015026 k( 363) = ( 0.2727273 0.4180322 0.0646111), wk = 0.0015026 k( 364) = ( 0.2727273 0.4180322 0.2550118), wk = 0.0015026 k( 365) = ( 0.2727273 0.4180322 -1.6489950), wk = 0.0015026 k( 366) = ( 0.2727273 0.4180322 -1.4585943), wk = 0.0015026 k( 367) = ( 0.2727273 0.4180322 -1.2681936), wk = 0.0015026 k( 368) = ( 0.2727273 0.4180322 -1.0777930), wk = 0.0015026 k( 369) = ( 0.2727273 0.4180322 -0.8873923), wk = 0.0015026 k( 370) = ( 0.2727273 -1.2749484 0.1742479), wk = 0.0015026 k( 371) = ( 0.2727273 -1.2749484 0.3646486), wk = 0.0015026 k( 372) = ( 0.2727273 -1.2749484 0.5550492), wk = 0.0015026 k( 373) = ( 0.2727273 -1.2749484 0.7454499), wk = 0.0015026 k( 374) = ( 0.2727273 -1.2749484 0.9358506), wk = 0.0015026 k( 375) = ( 0.2727273 -1.2749484 1.1262513), wk = 0.0015026 k( 376) = ( 0.2727273 -1.2749484 -0.7777555), wk = 0.0015026 k( 377) = ( 0.2727273 -1.2749484 -0.5873548), wk = 0.0015026 k( 378) = ( 0.2727273 -1.2749484 -0.3969541), wk = 0.0015026 k( 379) = ( 0.2727273 -1.2749484 -0.2065534), wk = 0.0015026 k( 380) = ( 0.2727273 -1.2749484 -0.0161528), wk = 0.0015026 k( 381) = ( 0.2727273 -1.1056503 0.0871240), wk = 0.0015026 k( 382) = ( 0.2727273 -1.1056503 0.2775246), wk = 0.0015026 k( 383) = ( 0.2727273 -1.1056503 0.4679253), wk = 0.0015026 k( 384) = ( 0.2727273 -1.1056503 0.6583260), wk = 0.0015026 k( 385) = ( 0.2727273 -1.1056503 0.8487266), wk = 0.0015026 k( 386) = ( 0.2727273 -1.1056503 1.0391273), wk = 0.0015026 k( 387) = ( 0.2727273 -1.1056503 -0.8648794), wk = 0.0015026 k( 388) = ( 0.2727273 -1.1056503 -0.6744787), wk = 0.0015026 k( 389) = ( 0.2727273 -1.1056503 -0.4840781), wk = 0.0015026 k( 390) = ( 0.2727273 -1.1056503 -0.2936774), wk = 0.0015026 k( 391) = ( 0.2727273 -1.1056503 -0.1032767), wk = 0.0015026 k( 392) = ( 0.2727273 -0.9363523 0.0000000), wk = 0.0015026 k( 393) = ( 0.2727273 -0.9363523 0.1904007), wk = 0.0015026 k( 394) = ( 0.2727273 -0.9363523 0.3808013), wk = 0.0015026 k( 395) = ( 0.2727273 -0.9363523 0.5712020), wk = 0.0015026 k( 396) = ( 0.2727273 -0.9363523 0.7616027), wk = 0.0015026 k( 397) = ( 0.2727273 -0.9363523 0.9520034), wk = 0.0015026 k( 398) = ( 0.2727273 -0.9363523 -0.9520034), wk = 0.0015026 k( 399) = ( 0.2727273 -0.9363523 -0.7616027), wk = 0.0015026 k( 400) = ( 0.2727273 -0.9363523 -0.5712020), wk = 0.0015026 k( 401) = ( 0.2727273 -0.9363523 -0.3808013), wk = 0.0015026 k( 402) = ( 0.2727273 -0.9363523 -0.1904007), wk = 0.0015026 k( 403) = ( 0.2727273 -0.7670542 -0.0871240), wk = 0.0015026 k( 404) = ( 0.2727273 -0.7670542 0.1032767), wk = 0.0015026 k( 405) = ( 0.2727273 -0.7670542 0.2936774), wk = 0.0015026 k( 406) = ( 0.2727273 -0.7670542 0.4840781), wk = 0.0015026 k( 407) = ( 0.2727273 -0.7670542 0.6744787), wk = 0.0015026 k( 408) = ( 0.2727273 -0.7670542 0.8648794), wk = 0.0015026 k( 409) = ( 0.2727273 -0.7670542 -1.0391273), wk = 0.0015026 k( 410) = ( 0.2727273 -0.7670542 -0.8487266), wk = 0.0015026 k( 411) = ( 0.2727273 -0.7670542 -0.6583260), wk = 0.0015026 k( 412) = ( 0.2727273 -0.7670542 -0.4679253), wk = 0.0015026 k( 413) = ( 0.2727273 -0.7670542 -0.2775246), wk = 0.0015026 k( 414) = ( 0.2727273 -0.5977562 -0.1742479), wk = 0.0015026 k( 415) = ( 0.2727273 -0.5977562 0.0161528), wk = 0.0015026 k( 416) = ( 0.2727273 -0.5977562 0.2065534), wk = 0.0015026 k( 417) = ( 0.2727273 -0.5977562 0.3969541), wk = 0.0015026 k( 418) = ( 0.2727273 -0.5977562 0.5873548), wk = 0.0015026 k( 419) = ( 0.2727273 -0.5977562 0.7777555), wk = 0.0015026 k( 420) = ( 0.2727273 -0.5977562 -1.1262513), wk = 0.0015026 k( 421) = ( 0.2727273 -0.5977562 -0.9358506), wk = 0.0015026 k( 422) = ( 0.2727273 -0.5977562 -0.7454499), wk = 0.0015026 k( 423) = ( 0.2727273 -0.5977562 -0.5550492), wk = 0.0015026 k( 424) = ( 0.2727273 -0.5977562 -0.3646486), wk = 0.0015026 k( 425) = ( 0.3636364 -0.5712775 -0.3484958), wk = 0.0015026 k( 426) = ( 0.3636364 -0.5712775 -0.1580951), wk = 0.0015026 k( 427) = ( 0.3636364 -0.5712775 0.0323055), wk = 0.0015026 k( 428) = ( 0.3636364 -0.5712775 0.2227062), wk = 0.0015026 k( 429) = ( 0.3636364 -0.5712775 0.4131069), wk = 0.0015026 k( 430) = ( 0.3636364 -0.5712775 0.6035076), wk = 0.0015026 k( 431) = ( 0.3636364 -0.5712775 -1.3004992), wk = 0.0015026 k( 432) = ( 0.3636364 -0.5712775 -1.1100985), wk = 0.0015026 k( 433) = ( 0.3636364 -0.5712775 -0.9196978), wk = 0.0015026 k( 434) = ( 0.3636364 -0.5712775 -0.7292972), wk = 0.0015026 k( 435) = ( 0.3636364 -0.5712775 -0.5388965), wk = 0.0015026 k( 436) = ( 0.3636364 -0.4019794 -0.4356198), wk = 0.0015026 k( 437) = ( 0.3636364 -0.4019794 -0.2452191), wk = 0.0015026 k( 438) = ( 0.3636364 -0.4019794 -0.0548184), wk = 0.0015026 k( 439) = ( 0.3636364 -0.4019794 0.1355823), wk = 0.0015026 k( 440) = ( 0.3636364 -0.4019794 0.3259829), wk = 0.0015026 k( 441) = ( 0.3636364 -0.4019794 0.5163836), wk = 0.0015026 k( 442) = ( 0.3636364 -0.4019794 -1.3876231), wk = 0.0015026 k( 443) = ( 0.3636364 -0.4019794 -1.1972224), wk = 0.0015026 k( 444) = ( 0.3636364 -0.4019794 -1.0068218), wk = 0.0015026 k( 445) = ( 0.3636364 -0.4019794 -0.8164211), wk = 0.0015026 k( 446) = ( 0.3636364 -0.4019794 -0.6260204), wk = 0.0015026 k( 447) = ( 0.3636364 -0.2326813 -0.5227437), wk = 0.0015026 k( 448) = ( 0.3636364 -0.2326813 -0.3323430), wk = 0.0015026 k( 449) = ( 0.3636364 -0.2326813 -0.1419424), wk = 0.0015026 k( 450) = ( 0.3636364 -0.2326813 0.0484583), wk = 0.0015026 k( 451) = ( 0.3636364 -0.2326813 0.2388590), wk = 0.0015026 k( 452) = ( 0.3636364 -0.2326813 0.4292597), wk = 0.0015026 k( 453) = ( 0.3636364 -0.2326813 -1.4747471), wk = 0.0015026 k( 454) = ( 0.3636364 -0.2326813 -1.2843464), wk = 0.0015026 k( 455) = ( 0.3636364 -0.2326813 -1.0939457), wk = 0.0015026 k( 456) = ( 0.3636364 -0.2326813 -0.9035451), wk = 0.0015026 k( 457) = ( 0.3636364 -0.2326813 -0.7131444), wk = 0.0015026 k( 458) = ( 0.3636364 -0.0633833 -0.6098677), wk = 0.0015026 k( 459) = ( 0.3636364 -0.0633833 -0.4194670), wk = 0.0015026 k( 460) = ( 0.3636364 -0.0633833 -0.2290663), wk = 0.0015026 k( 461) = ( 0.3636364 -0.0633833 -0.0386656), wk = 0.0015026 k( 462) = ( 0.3636364 -0.0633833 0.1517350), wk = 0.0015026 k( 463) = ( 0.3636364 -0.0633833 0.3421357), wk = 0.0015026 k( 464) = ( 0.3636364 -0.0633833 -1.5618710), wk = 0.0015026 k( 465) = ( 0.3636364 -0.0633833 -1.3714704), wk = 0.0015026 k( 466) = ( 0.3636364 -0.0633833 -1.1810697), wk = 0.0015026 k( 467) = ( 0.3636364 -0.0633833 -0.9906690), wk = 0.0015026 k( 468) = ( 0.3636364 -0.0633833 -0.8002683), wk = 0.0015026 k( 469) = ( 0.3636364 0.1059148 -0.6969916), wk = 0.0015026 k( 470) = ( 0.3636364 0.1059148 -0.5065909), wk = 0.0015026 k( 471) = ( 0.3636364 0.1059148 -0.3161903), wk = 0.0015026 k( 472) = ( 0.3636364 0.1059148 -0.1257896), wk = 0.0015026 k( 473) = ( 0.3636364 0.1059148 0.0646111), wk = 0.0015026 k( 474) = ( 0.3636364 0.1059148 0.2550118), wk = 0.0015026 k( 475) = ( 0.3636364 0.1059148 -1.6489950), wk = 0.0015026 k( 476) = ( 0.3636364 0.1059148 -1.4585943), wk = 0.0015026 k( 477) = ( 0.3636364 0.1059148 -1.2681936), wk = 0.0015026 k( 478) = ( 0.3636364 0.1059148 -1.0777930), wk = 0.0015026 k( 479) = ( 0.3636364 0.1059148 -0.8873923), wk = 0.0015026 k( 480) = ( 0.3636364 0.2752129 -0.7841156), wk = 0.0015026 k( 481) = ( 0.3636364 0.2752129 -0.5937149), wk = 0.0015026 k( 482) = ( 0.3636364 0.2752129 -0.4033142), wk = 0.0015026 k( 483) = ( 0.3636364 0.2752129 -0.2129135), wk = 0.0015026 k( 484) = ( 0.3636364 0.2752129 -0.0225129), wk = 0.0015026 k( 485) = ( 0.3636364 0.2752129 0.1678878), wk = 0.0015026 k( 486) = ( 0.3636364 0.2752129 -1.7361189), wk = 0.0015026 k( 487) = ( 0.3636364 0.2752129 -1.5457183), wk = 0.0015026 k( 488) = ( 0.3636364 0.2752129 -1.3553176), wk = 0.0015026 k( 489) = ( 0.3636364 0.2752129 -1.1649169), wk = 0.0015026 k( 490) = ( 0.3636364 0.2752129 -0.9745162), wk = 0.0015026 k( 491) = ( 0.3636364 -1.4177678 0.0871240), wk = 0.0015026 k( 492) = ( 0.3636364 -1.4177678 0.2775246), wk = 0.0015026 k( 493) = ( 0.3636364 -1.4177678 0.4679253), wk = 0.0015026 k( 494) = ( 0.3636364 -1.4177678 0.6583260), wk = 0.0015026 k( 495) = ( 0.3636364 -1.4177678 0.8487266), wk = 0.0015026 k( 496) = ( 0.3636364 -1.4177678 1.0391273), wk = 0.0015026 k( 497) = ( 0.3636364 -1.4177678 -0.8648794), wk = 0.0015026 k( 498) = ( 0.3636364 -1.4177678 -0.6744787), wk = 0.0015026 k( 499) = ( 0.3636364 -1.4177678 -0.4840781), wk = 0.0015026 k( 500) = ( 0.3636364 -1.4177678 -0.2936774), wk = 0.0015026 k( 501) = ( 0.3636364 -1.4177678 -0.1032767), wk = 0.0015026 k( 502) = ( 0.3636364 -1.2484697 0.0000000), wk = 0.0015026 k( 503) = ( 0.3636364 -1.2484697 0.1904007), wk = 0.0015026 k( 504) = ( 0.3636364 -1.2484697 0.3808013), wk = 0.0015026 k( 505) = ( 0.3636364 -1.2484697 0.5712020), wk = 0.0015026 k( 506) = ( 0.3636364 -1.2484697 0.7616027), wk = 0.0015026 k( 507) = ( 0.3636364 -1.2484697 0.9520034), wk = 0.0015026 k( 508) = ( 0.3636364 -1.2484697 -0.9520034), wk = 0.0015026 k( 509) = ( 0.3636364 -1.2484697 -0.7616027), wk = 0.0015026 k( 510) = ( 0.3636364 -1.2484697 -0.5712020), wk = 0.0015026 k( 511) = ( 0.3636364 -1.2484697 -0.3808013), wk = 0.0015026 k( 512) = ( 0.3636364 -1.2484697 -0.1904007), wk = 0.0015026 k( 513) = ( 0.3636364 -1.0791716 -0.0871240), wk = 0.0015026 k( 514) = ( 0.3636364 -1.0791716 0.1032767), wk = 0.0015026 k( 515) = ( 0.3636364 -1.0791716 0.2936774), wk = 0.0015026 k( 516) = ( 0.3636364 -1.0791716 0.4840781), wk = 0.0015026 k( 517) = ( 0.3636364 -1.0791716 0.6744787), wk = 0.0015026 k( 518) = ( 0.3636364 -1.0791716 0.8648794), wk = 0.0015026 k( 519) = ( 0.3636364 -1.0791716 -1.0391273), wk = 0.0015026 k( 520) = ( 0.3636364 -1.0791716 -0.8487266), wk = 0.0015026 k( 521) = ( 0.3636364 -1.0791716 -0.6583260), wk = 0.0015026 k( 522) = ( 0.3636364 -1.0791716 -0.4679253), wk = 0.0015026 k( 523) = ( 0.3636364 -1.0791716 -0.2775246), wk = 0.0015026 k( 524) = ( 0.3636364 -0.9098736 -0.1742479), wk = 0.0015026 k( 525) = ( 0.3636364 -0.9098736 0.0161528), wk = 0.0015026 k( 526) = ( 0.3636364 -0.9098736 0.2065534), wk = 0.0015026 k( 527) = ( 0.3636364 -0.9098736 0.3969541), wk = 0.0015026 k( 528) = ( 0.3636364 -0.9098736 0.5873548), wk = 0.0015026 k( 529) = ( 0.3636364 -0.9098736 0.7777555), wk = 0.0015026 k( 530) = ( 0.3636364 -0.9098736 -1.1262513), wk = 0.0015026 k( 531) = ( 0.3636364 -0.9098736 -0.9358506), wk = 0.0015026 k( 532) = ( 0.3636364 -0.9098736 -0.7454499), wk = 0.0015026 k( 533) = ( 0.3636364 -0.9098736 -0.5550492), wk = 0.0015026 k( 534) = ( 0.3636364 -0.9098736 -0.3646486), wk = 0.0015026 k( 535) = ( 0.3636364 -0.7405755 -0.2613719), wk = 0.0015026 k( 536) = ( 0.3636364 -0.7405755 -0.0709712), wk = 0.0015026 k( 537) = ( 0.3636364 -0.7405755 0.1194295), wk = 0.0015026 k( 538) = ( 0.3636364 -0.7405755 0.3098302), wk = 0.0015026 k( 539) = ( 0.3636364 -0.7405755 0.5002308), wk = 0.0015026 k( 540) = ( 0.3636364 -0.7405755 0.6906315), wk = 0.0015026 k( 541) = ( 0.3636364 -0.7405755 -1.2133752), wk = 0.0015026 k( 542) = ( 0.3636364 -0.7405755 -1.0229745), wk = 0.0015026 k( 543) = ( 0.3636364 -0.7405755 -0.8325739), wk = 0.0015026 k( 544) = ( 0.3636364 -0.7405755 -0.6421732), wk = 0.0015026 k( 545) = ( 0.3636364 -0.7405755 -0.4517725), wk = 0.0015026 k( 546) = ( 0.4545455 -0.7140968 -0.4356198), wk = 0.0015026 k( 547) = ( 0.4545455 -0.7140968 -0.2452191), wk = 0.0015026 k( 548) = ( 0.4545455 -0.7140968 -0.0548184), wk = 0.0015026 k( 549) = ( 0.4545455 -0.7140968 0.1355823), wk = 0.0015026 k( 550) = ( 0.4545455 -0.7140968 0.3259829), wk = 0.0015026 k( 551) = ( 0.4545455 -0.7140968 0.5163836), wk = 0.0015026 k( 552) = ( 0.4545455 -0.7140968 -1.3876231), wk = 0.0015026 k( 553) = ( 0.4545455 -0.7140968 -1.1972224), wk = 0.0015026 k( 554) = ( 0.4545455 -0.7140968 -1.0068218), wk = 0.0015026 k( 555) = ( 0.4545455 -0.7140968 -0.8164211), wk = 0.0015026 k( 556) = ( 0.4545455 -0.7140968 -0.6260204), wk = 0.0015026 k( 557) = ( 0.4545455 -0.5447988 -0.5227437), wk = 0.0015026 k( 558) = ( 0.4545455 -0.5447988 -0.3323430), wk = 0.0015026 k( 559) = ( 0.4545455 -0.5447988 -0.1419424), wk = 0.0015026 k( 560) = ( 0.4545455 -0.5447988 0.0484583), wk = 0.0015026 k( 561) = ( 0.4545455 -0.5447988 0.2388590), wk = 0.0015026 k( 562) = ( 0.4545455 -0.5447988 0.4292597), wk = 0.0015026 k( 563) = ( 0.4545455 -0.5447988 -1.4747471), wk = 0.0015026 k( 564) = ( 0.4545455 -0.5447988 -1.2843464), wk = 0.0015026 k( 565) = ( 0.4545455 -0.5447988 -1.0939457), wk = 0.0015026 k( 566) = ( 0.4545455 -0.5447988 -0.9035451), wk = 0.0015026 k( 567) = ( 0.4545455 -0.5447988 -0.7131444), wk = 0.0015026 k( 568) = ( 0.4545455 -0.3755007 -0.6098677), wk = 0.0015026 k( 569) = ( 0.4545455 -0.3755007 -0.4194670), wk = 0.0015026 k( 570) = ( 0.4545455 -0.3755007 -0.2290663), wk = 0.0015026 k( 571) = ( 0.4545455 -0.3755007 -0.0386656), wk = 0.0015026 k( 572) = ( 0.4545455 -0.3755007 0.1517350), wk = 0.0015026 k( 573) = ( 0.4545455 -0.3755007 0.3421357), wk = 0.0015026 k( 574) = ( 0.4545455 -0.3755007 -1.5618710), wk = 0.0015026 k( 575) = ( 0.4545455 -0.3755007 -1.3714704), wk = 0.0015026 k( 576) = ( 0.4545455 -0.3755007 -1.1810697), wk = 0.0015026 k( 577) = ( 0.4545455 -0.3755007 -0.9906690), wk = 0.0015026 k( 578) = ( 0.4545455 -0.3755007 -0.8002683), wk = 0.0015026 k( 579) = ( 0.4545455 -0.2062026 -0.6969916), wk = 0.0015026 k( 580) = ( 0.4545455 -0.2062026 -0.5065909), wk = 0.0015026 k( 581) = ( 0.4545455 -0.2062026 -0.3161903), wk = 0.0015026 k( 582) = ( 0.4545455 -0.2062026 -0.1257896), wk = 0.0015026 k( 583) = ( 0.4545455 -0.2062026 0.0646111), wk = 0.0015026 k( 584) = ( 0.4545455 -0.2062026 0.2550118), wk = 0.0015026 k( 585) = ( 0.4545455 -0.2062026 -1.6489950), wk = 0.0015026 k( 586) = ( 0.4545455 -0.2062026 -1.4585943), wk = 0.0015026 k( 587) = ( 0.4545455 -0.2062026 -1.2681936), wk = 0.0015026 k( 588) = ( 0.4545455 -0.2062026 -1.0777930), wk = 0.0015026 k( 589) = ( 0.4545455 -0.2062026 -0.8873923), wk = 0.0015026 k( 590) = ( 0.4545455 -0.0369046 -0.7841156), wk = 0.0015026 k( 591) = ( 0.4545455 -0.0369046 -0.5937149), wk = 0.0015026 k( 592) = ( 0.4545455 -0.0369046 -0.4033142), wk = 0.0015026 k( 593) = ( 0.4545455 -0.0369046 -0.2129135), wk = 0.0015026 k( 594) = ( 0.4545455 -0.0369046 -0.0225129), wk = 0.0015026 k( 595) = ( 0.4545455 -0.0369046 0.1678878), wk = 0.0015026 k( 596) = ( 0.4545455 -0.0369046 -1.7361189), wk = 0.0015026 k( 597) = ( 0.4545455 -0.0369046 -1.5457183), wk = 0.0015026 k( 598) = ( 0.4545455 -0.0369046 -1.3553176), wk = 0.0015026 k( 599) = ( 0.4545455 -0.0369046 -1.1649169), wk = 0.0015026 k( 600) = ( 0.4545455 -0.0369046 -0.9745162), wk = 0.0015026 k( 601) = ( 0.4545455 0.1323935 -0.8712395), wk = 0.0015026 k( 602) = ( 0.4545455 0.1323935 -0.6808388), wk = 0.0015026 k( 603) = ( 0.4545455 0.1323935 -0.4904382), wk = 0.0015026 k( 604) = ( 0.4545455 0.1323935 -0.3000375), wk = 0.0015026 k( 605) = ( 0.4545455 0.1323935 -0.1096368), wk = 0.0015026 k( 606) = ( 0.4545455 0.1323935 0.0807639), wk = 0.0015026 k( 607) = ( 0.4545455 0.1323935 -1.8232429), wk = 0.0015026 k( 608) = ( 0.4545455 0.1323935 -1.6328422), wk = 0.0015026 k( 609) = ( 0.4545455 0.1323935 -1.4424415), wk = 0.0015026 k( 610) = ( 0.4545455 0.1323935 -1.2520409), wk = 0.0015026 k( 611) = ( 0.4545455 0.1323935 -1.0616402), wk = 0.0015026 k( 612) = ( 0.4545455 -1.5605871 0.0000000), wk = 0.0015026 k( 613) = ( 0.4545455 -1.5605871 0.1904007), wk = 0.0015026 k( 614) = ( 0.4545455 -1.5605871 0.3808013), wk = 0.0015026 k( 615) = ( 0.4545455 -1.5605871 0.5712020), wk = 0.0015026 k( 616) = ( 0.4545455 -1.5605871 0.7616027), wk = 0.0015026 k( 617) = ( 0.4545455 -1.5605871 0.9520034), wk = 0.0015026 k( 618) = ( 0.4545455 -1.5605871 -0.9520034), wk = 0.0015026 k( 619) = ( 0.4545455 -1.5605871 -0.7616027), wk = 0.0015026 k( 620) = ( 0.4545455 -1.5605871 -0.5712020), wk = 0.0015026 k( 621) = ( 0.4545455 -1.5605871 -0.3808013), wk = 0.0015026 k( 622) = ( 0.4545455 -1.5605871 -0.1904007), wk = 0.0015026 k( 623) = ( 0.4545455 -1.3912891 -0.0871240), wk = 0.0015026 k( 624) = ( 0.4545455 -1.3912891 0.1032767), wk = 0.0015026 k( 625) = ( 0.4545455 -1.3912891 0.2936774), wk = 0.0015026 k( 626) = ( 0.4545455 -1.3912891 0.4840781), wk = 0.0015026 k( 627) = ( 0.4545455 -1.3912891 0.6744787), wk = 0.0015026 k( 628) = ( 0.4545455 -1.3912891 0.8648794), wk = 0.0015026 k( 629) = ( 0.4545455 -1.3912891 -1.0391273), wk = 0.0015026 k( 630) = ( 0.4545455 -1.3912891 -0.8487266), wk = 0.0015026 k( 631) = ( 0.4545455 -1.3912891 -0.6583260), wk = 0.0015026 k( 632) = ( 0.4545455 -1.3912891 -0.4679253), wk = 0.0015026 k( 633) = ( 0.4545455 -1.3912891 -0.2775246), wk = 0.0015026 k( 634) = ( 0.4545455 -1.2219910 -0.1742479), wk = 0.0015026 k( 635) = ( 0.4545455 -1.2219910 0.0161528), wk = 0.0015026 k( 636) = ( 0.4545455 -1.2219910 0.2065534), wk = 0.0015026 k( 637) = ( 0.4545455 -1.2219910 0.3969541), wk = 0.0015026 k( 638) = ( 0.4545455 -1.2219910 0.5873548), wk = 0.0015026 k( 639) = ( 0.4545455 -1.2219910 0.7777555), wk = 0.0015026 k( 640) = ( 0.4545455 -1.2219910 -1.1262513), wk = 0.0015026 k( 641) = ( 0.4545455 -1.2219910 -0.9358506), wk = 0.0015026 k( 642) = ( 0.4545455 -1.2219910 -0.7454499), wk = 0.0015026 k( 643) = ( 0.4545455 -1.2219910 -0.5550492), wk = 0.0015026 k( 644) = ( 0.4545455 -1.2219910 -0.3646486), wk = 0.0015026 k( 645) = ( 0.4545455 -1.0526929 -0.2613719), wk = 0.0015026 k( 646) = ( 0.4545455 -1.0526929 -0.0709712), wk = 0.0015026 k( 647) = ( 0.4545455 -1.0526929 0.1194295), wk = 0.0015026 k( 648) = ( 0.4545455 -1.0526929 0.3098302), wk = 0.0015026 k( 649) = ( 0.4545455 -1.0526929 0.5002308), wk = 0.0015026 k( 650) = ( 0.4545455 -1.0526929 0.6906315), wk = 0.0015026 k( 651) = ( 0.4545455 -1.0526929 -1.2133752), wk = 0.0015026 k( 652) = ( 0.4545455 -1.0526929 -1.0229745), wk = 0.0015026 k( 653) = ( 0.4545455 -1.0526929 -0.8325739), wk = 0.0015026 k( 654) = ( 0.4545455 -1.0526929 -0.6421732), wk = 0.0015026 k( 655) = ( 0.4545455 -1.0526929 -0.4517725), wk = 0.0015026 k( 656) = ( 0.4545455 -0.8833949 -0.3484958), wk = 0.0015026 k( 657) = ( 0.4545455 -0.8833949 -0.1580951), wk = 0.0015026 k( 658) = ( 0.4545455 -0.8833949 0.0323055), wk = 0.0015026 k( 659) = ( 0.4545455 -0.8833949 0.2227062), wk = 0.0015026 k( 660) = ( 0.4545455 -0.8833949 0.4131069), wk = 0.0015026 k( 661) = ( 0.4545455 -0.8833949 0.6035076), wk = 0.0015026 k( 662) = ( 0.4545455 -0.8833949 -1.3004992), wk = 0.0015026 k( 663) = ( 0.4545455 -0.8833949 -1.1100985), wk = 0.0015026 k( 664) = ( 0.4545455 -0.8833949 -0.9196978), wk = 0.0015026 k( 665) = ( 0.4545455 -0.8833949 -0.7292972), wk = 0.0015026 k( 666) = ( 0.4545455 -0.8833949 -0.5388965), wk = 0.0015026 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0007513 k( 2) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0015026 k( 3) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0015026 k( 4) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0015026 k( 5) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0015026 k( 6) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0015026 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0015026 k( 8) = ( 0.0000000 0.0909091 0.0909091), wk = 0.0015026 k( 9) = ( 0.0000000 0.0909091 0.1818182), wk = 0.0015026 k( 10) = ( 0.0000000 0.0909091 0.2727273), wk = 0.0015026 k( 11) = ( 0.0000000 0.0909091 0.3636364), wk = 0.0015026 k( 12) = ( 0.0000000 0.0909091 0.4545455), wk = 0.0015026 k( 13) = ( 0.0000000 0.0909091 -0.4545455), wk = 0.0015026 k( 14) = ( 0.0000000 0.0909091 -0.3636364), wk = 0.0015026 k( 15) = ( 0.0000000 0.0909091 -0.2727273), wk = 0.0015026 k( 16) = ( 0.0000000 0.0909091 -0.1818182), wk = 0.0015026 k( 17) = ( 0.0000000 0.0909091 -0.0909091), wk = 0.0015026 k( 18) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0015026 k( 19) = ( 0.0000000 0.1818182 0.0909091), wk = 0.0015026 k( 20) = ( 0.0000000 0.1818182 0.1818182), wk = 0.0015026 k( 21) = ( 0.0000000 0.1818182 0.2727273), wk = 0.0015026 k( 22) = ( 0.0000000 0.1818182 0.3636364), wk = 0.0015026 k( 23) = ( 0.0000000 0.1818182 0.4545455), wk = 0.0015026 k( 24) = ( 0.0000000 0.1818182 -0.4545455), wk = 0.0015026 k( 25) = ( 0.0000000 0.1818182 -0.3636364), wk = 0.0015026 k( 26) = ( 0.0000000 0.1818182 -0.2727273), wk = 0.0015026 k( 27) = ( 0.0000000 0.1818182 -0.1818182), wk = 0.0015026 k( 28) = ( 0.0000000 0.1818182 -0.0909091), wk = 0.0015026 k( 29) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0015026 k( 30) = ( 0.0000000 0.2727273 0.0909091), wk = 0.0015026 k( 31) = ( 0.0000000 0.2727273 0.1818182), wk = 0.0015026 k( 32) = ( 0.0000000 0.2727273 0.2727273), wk = 0.0015026 k( 33) = ( 0.0000000 0.2727273 0.3636364), wk = 0.0015026 k( 34) = ( 0.0000000 0.2727273 0.4545455), wk = 0.0015026 k( 35) = ( 0.0000000 0.2727273 -0.4545455), wk = 0.0015026 k( 36) = ( 0.0000000 0.2727273 -0.3636364), wk = 0.0015026 k( 37) = ( 0.0000000 0.2727273 -0.2727273), wk = 0.0015026 k( 38) = ( 0.0000000 0.2727273 -0.1818182), wk = 0.0015026 k( 39) = ( 0.0000000 0.2727273 -0.0909091), wk = 0.0015026 k( 40) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0015026 k( 41) = ( 0.0000000 0.3636364 0.0909091), wk = 0.0015026 k( 42) = ( 0.0000000 0.3636364 0.1818182), wk = 0.0015026 k( 43) = ( 0.0000000 0.3636364 0.2727273), wk = 0.0015026 k( 44) = ( 0.0000000 0.3636364 0.3636364), wk = 0.0015026 k( 45) = ( 0.0000000 0.3636364 0.4545455), wk = 0.0015026 k( 46) = ( 0.0000000 0.3636364 -0.4545455), wk = 0.0015026 k( 47) = ( 0.0000000 0.3636364 -0.3636364), wk = 0.0015026 k( 48) = ( 0.0000000 0.3636364 -0.2727273), wk = 0.0015026 k( 49) = ( 0.0000000 0.3636364 -0.1818182), wk = 0.0015026 k( 50) = ( 0.0000000 0.3636364 -0.0909091), wk = 0.0015026 k( 51) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0015026 k( 52) = ( 0.0000000 0.4545455 0.0909091), wk = 0.0015026 k( 53) = ( 0.0000000 0.4545455 0.1818182), wk = 0.0015026 k( 54) = ( 0.0000000 0.4545455 0.2727273), wk = 0.0015026 k( 55) = ( 0.0000000 0.4545455 0.3636364), wk = 0.0015026 k( 56) = ( 0.0000000 0.4545455 0.4545455), wk = 0.0015026 k( 57) = ( 0.0000000 0.4545455 -0.4545455), wk = 0.0015026 k( 58) = ( 0.0000000 0.4545455 -0.3636364), wk = 0.0015026 k( 59) = ( 0.0000000 0.4545455 -0.2727273), wk = 0.0015026 k( 60) = ( 0.0000000 0.4545455 -0.1818182), wk = 0.0015026 k( 61) = ( 0.0000000 0.4545455 -0.0909091), wk = 0.0015026 k( 62) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0015026 k( 63) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0015026 k( 64) = ( 0.0909091 -0.0000000 0.1818182), wk = 0.0015026 k( 65) = ( 0.0909091 -0.0000000 0.2727273), wk = 0.0015026 k( 66) = ( 0.0909091 -0.0000000 0.3636364), wk = 0.0015026 k( 67) = ( 0.0909091 -0.0000000 0.4545455), wk = 0.0015026 k( 68) = ( 0.0909091 -0.0000000 -0.4545455), wk = 0.0015026 k( 69) = ( 0.0909091 -0.0000000 -0.3636364), wk = 0.0015026 k( 70) = ( 0.0909091 -0.0000000 -0.2727273), wk = 0.0015026 k( 71) = ( 0.0909091 -0.0000000 -0.1818182), wk = 0.0015026 k( 72) = ( 0.0909091 -0.0000000 -0.0909091), wk = 0.0015026 k( 73) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0015026 k( 74) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0015026 k( 75) = ( 0.0909091 0.0909091 0.1818182), wk = 0.0015026 k( 76) = ( 0.0909091 0.0909091 0.2727273), wk = 0.0015026 k( 77) = ( 0.0909091 0.0909091 0.3636364), wk = 0.0015026 k( 78) = ( 0.0909091 0.0909091 0.4545455), wk = 0.0015026 k( 79) = ( 0.0909091 0.0909091 -0.4545455), wk = 0.0015026 k( 80) = ( 0.0909091 0.0909091 -0.3636364), wk = 0.0015026 k( 81) = ( 0.0909091 0.0909091 -0.2727273), wk = 0.0015026 k( 82) = ( 0.0909091 0.0909091 -0.1818182), wk = 0.0015026 k( 83) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0015026 k( 84) = ( 0.0909091 0.1818182 -0.0000000), wk = 0.0015026 k( 85) = ( 0.0909091 0.1818182 0.0909091), wk = 0.0015026 k( 86) = ( 0.0909091 0.1818182 0.1818182), wk = 0.0015026 k( 87) = ( 0.0909091 0.1818182 0.2727273), wk = 0.0015026 k( 88) = ( 0.0909091 0.1818182 0.3636364), wk = 0.0015026 k( 89) = ( 0.0909091 0.1818182 0.4545455), wk = 0.0015026 k( 90) = ( 0.0909091 0.1818182 -0.4545455), wk = 0.0015026 k( 91) = ( 0.0909091 0.1818182 -0.3636364), wk = 0.0015026 k( 92) = ( 0.0909091 0.1818182 -0.2727273), wk = 0.0015026 k( 93) = ( 0.0909091 0.1818182 -0.1818182), wk = 0.0015026 k( 94) = ( 0.0909091 0.1818182 -0.0909091), wk = 0.0015026 k( 95) = ( 0.0909091 0.2727273 -0.0000000), wk = 0.0015026 k( 96) = ( 0.0909091 0.2727273 0.0909091), wk = 0.0015026 k( 97) = ( 0.0909091 0.2727273 0.1818182), wk = 0.0015026 k( 98) = ( 0.0909091 0.2727273 0.2727273), wk = 0.0015026 k( 99) = ( 0.0909091 0.2727273 0.3636364), wk = 0.0015026 k( 100) = ( 0.0909091 0.2727273 0.4545455), wk = 0.0015026 k( 101) = ( 0.0909091 0.2727273 -0.4545455), wk = 0.0015026 k( 102) = ( 0.0909091 0.2727273 -0.3636364), wk = 0.0015026 k( 103) = ( 0.0909091 0.2727273 -0.2727273), wk = 0.0015026 k( 104) = ( 0.0909091 0.2727273 -0.1818182), wk = 0.0015026 k( 105) = ( 0.0909091 0.2727273 -0.0909091), wk = 0.0015026 k( 106) = ( 0.0909091 0.3636364 -0.0000000), wk = 0.0015026 k( 107) = ( 0.0909091 0.3636364 0.0909091), wk = 0.0015026 k( 108) = ( 0.0909091 0.3636364 0.1818182), wk = 0.0015026 k( 109) = ( 0.0909091 0.3636364 0.2727273), wk = 0.0015026 k( 110) = ( 0.0909091 0.3636364 0.3636364), wk = 0.0015026 k( 111) = ( 0.0909091 0.3636364 0.4545455), wk = 0.0015026 k( 112) = ( 0.0909091 0.3636364 -0.4545455), wk = 0.0015026 k( 113) = ( 0.0909091 0.3636364 -0.3636364), wk = 0.0015026 k( 114) = ( 0.0909091 0.3636364 -0.2727273), wk = 0.0015026 k( 115) = ( 0.0909091 0.3636364 -0.1818182), wk = 0.0015026 k( 116) = ( 0.0909091 0.3636364 -0.0909091), wk = 0.0015026 k( 117) = ( 0.0909091 0.4545455 -0.0000000), wk = 0.0015026 k( 118) = ( 0.0909091 0.4545455 0.0909091), wk = 0.0015026 k( 119) = ( 0.0909091 0.4545455 0.1818182), wk = 0.0015026 k( 120) = ( 0.0909091 0.4545455 0.2727273), wk = 0.0015026 k( 121) = ( 0.0909091 0.4545455 0.3636364), wk = 0.0015026 k( 122) = ( 0.0909091 0.4545455 0.4545455), wk = 0.0015026 k( 123) = ( 0.0909091 0.4545455 -0.4545455), wk = 0.0015026 k( 124) = ( 0.0909091 0.4545455 -0.3636364), wk = 0.0015026 k( 125) = ( 0.0909091 0.4545455 -0.2727273), wk = 0.0015026 k( 126) = ( 0.0909091 0.4545455 -0.1818182), wk = 0.0015026 k( 127) = ( 0.0909091 0.4545455 -0.0909091), wk = 0.0015026 k( 128) = ( 0.0909091 -0.4545455 -0.0000000), wk = 0.0015026 k( 129) = ( 0.0909091 -0.4545455 0.0909091), wk = 0.0015026 k( 130) = ( 0.0909091 -0.4545455 0.1818182), wk = 0.0015026 k( 131) = ( 0.0909091 -0.4545455 0.2727273), wk = 0.0015026 k( 132) = ( 0.0909091 -0.4545455 0.3636364), wk = 0.0015026 k( 133) = ( 0.0909091 -0.4545455 0.4545455), wk = 0.0015026 k( 134) = ( 0.0909091 -0.4545455 -0.4545455), wk = 0.0015026 k( 135) = ( 0.0909091 -0.4545455 -0.3636364), wk = 0.0015026 k( 136) = ( 0.0909091 -0.4545455 -0.2727273), wk = 0.0015026 k( 137) = ( 0.0909091 -0.4545455 -0.1818182), wk = 0.0015026 k( 138) = ( 0.0909091 -0.4545455 -0.0909091), wk = 0.0015026 k( 139) = ( 0.0909091 -0.3636364 -0.0000000), wk = 0.0015026 k( 140) = ( 0.0909091 -0.3636364 0.0909091), wk = 0.0015026 k( 141) = ( 0.0909091 -0.3636364 0.1818182), wk = 0.0015026 k( 142) = ( 0.0909091 -0.3636364 0.2727273), wk = 0.0015026 k( 143) = ( 0.0909091 -0.3636364 0.3636364), wk = 0.0015026 k( 144) = ( 0.0909091 -0.3636364 0.4545455), wk = 0.0015026 k( 145) = ( 0.0909091 -0.3636364 -0.4545455), wk = 0.0015026 k( 146) = ( 0.0909091 -0.3636364 -0.3636364), wk = 0.0015026 k( 147) = ( 0.0909091 -0.3636364 -0.2727273), wk = 0.0015026 k( 148) = ( 0.0909091 -0.3636364 -0.1818182), wk = 0.0015026 k( 149) = ( 0.0909091 -0.3636364 -0.0909091), wk = 0.0015026 k( 150) = ( 0.0909091 -0.2727273 0.0000000), wk = 0.0015026 k( 151) = ( 0.0909091 -0.2727273 0.0909091), wk = 0.0015026 k( 152) = ( 0.0909091 -0.2727273 0.1818182), wk = 0.0015026 k( 153) = ( 0.0909091 -0.2727273 0.2727273), wk = 0.0015026 k( 154) = ( 0.0909091 -0.2727273 0.3636364), wk = 0.0015026 k( 155) = ( 0.0909091 -0.2727273 0.4545455), wk = 0.0015026 k( 156) = ( 0.0909091 -0.2727273 -0.4545455), wk = 0.0015026 k( 157) = ( 0.0909091 -0.2727273 -0.3636364), wk = 0.0015026 k( 158) = ( 0.0909091 -0.2727273 -0.2727273), wk = 0.0015026 k( 159) = ( 0.0909091 -0.2727273 -0.1818182), wk = 0.0015026 k( 160) = ( 0.0909091 -0.2727273 -0.0909091), wk = 0.0015026 k( 161) = ( 0.0909091 -0.1818182 0.0000000), wk = 0.0015026 k( 162) = ( 0.0909091 -0.1818182 0.0909091), wk = 0.0015026 k( 163) = ( 0.0909091 -0.1818182 0.1818182), wk = 0.0015026 k( 164) = ( 0.0909091 -0.1818182 0.2727273), wk = 0.0015026 k( 165) = ( 0.0909091 -0.1818182 0.3636364), wk = 0.0015026 k( 166) = ( 0.0909091 -0.1818182 0.4545455), wk = 0.0015026 k( 167) = ( 0.0909091 -0.1818182 -0.4545455), wk = 0.0015026 k( 168) = ( 0.0909091 -0.1818182 -0.3636364), wk = 0.0015026 k( 169) = ( 0.0909091 -0.1818182 -0.2727273), wk = 0.0015026 k( 170) = ( 0.0909091 -0.1818182 -0.1818182), wk = 0.0015026 k( 171) = ( 0.0909091 -0.1818182 -0.0909091), wk = 0.0015026 k( 172) = ( 0.0909091 -0.0909091 -0.0000000), wk = 0.0015026 k( 173) = ( 0.0909091 -0.0909091 0.0909091), wk = 0.0015026 k( 174) = ( 0.0909091 -0.0909091 0.1818182), wk = 0.0015026 k( 175) = ( 0.0909091 -0.0909091 0.2727273), wk = 0.0015026 k( 176) = ( 0.0909091 -0.0909091 0.3636364), wk = 0.0015026 k( 177) = ( 0.0909091 -0.0909091 0.4545455), wk = 0.0015026 k( 178) = ( 0.0909091 -0.0909091 -0.4545455), wk = 0.0015026 k( 179) = ( 0.0909091 -0.0909091 -0.3636364), wk = 0.0015026 k( 180) = ( 0.0909091 -0.0909091 -0.2727273), wk = 0.0015026 k( 181) = ( 0.0909091 -0.0909091 -0.1818182), wk = 0.0015026 k( 182) = ( 0.0909091 -0.0909091 -0.0909091), wk = 0.0015026 k( 183) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0015026 k( 184) = ( 0.1818182 -0.0000000 0.0909091), wk = 0.0015026 k( 185) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0015026 k( 186) = ( 0.1818182 -0.0000000 0.2727273), wk = 0.0015026 k( 187) = ( 0.1818182 -0.0000000 0.3636364), wk = 0.0015026 k( 188) = ( 0.1818182 -0.0000000 0.4545455), wk = 0.0015026 k( 189) = ( 0.1818182 -0.0000000 -0.4545455), wk = 0.0015026 k( 190) = ( 0.1818182 -0.0000000 -0.3636364), wk = 0.0015026 k( 191) = ( 0.1818182 -0.0000000 -0.2727273), wk = 0.0015026 k( 192) = ( 0.1818182 -0.0000000 -0.1818182), wk = 0.0015026 k( 193) = ( 0.1818182 -0.0000000 -0.0909091), wk = 0.0015026 k( 194) = ( 0.1818182 0.0909091 -0.0000000), wk = 0.0015026 k( 195) = ( 0.1818182 0.0909091 0.0909091), wk = 0.0015026 k( 196) = ( 0.1818182 0.0909091 0.1818182), wk = 0.0015026 k( 197) = ( 0.1818182 0.0909091 0.2727273), wk = 0.0015026 k( 198) = ( 0.1818182 0.0909091 0.3636364), wk = 0.0015026 k( 199) = ( 0.1818182 0.0909091 0.4545455), wk = 0.0015026 k( 200) = ( 0.1818182 0.0909091 -0.4545455), wk = 0.0015026 k( 201) = ( 0.1818182 0.0909091 -0.3636364), wk = 0.0015026 k( 202) = ( 0.1818182 0.0909091 -0.2727273), wk = 0.0015026 k( 203) = ( 0.1818182 0.0909091 -0.1818182), wk = 0.0015026 k( 204) = ( 0.1818182 0.0909091 -0.0909091), wk = 0.0015026 k( 205) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0015026 k( 206) = ( 0.1818182 0.1818182 0.0909091), wk = 0.0015026 k( 207) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0015026 k( 208) = ( 0.1818182 0.1818182 0.2727273), wk = 0.0015026 k( 209) = ( 0.1818182 0.1818182 0.3636364), wk = 0.0015026 k( 210) = ( 0.1818182 0.1818182 0.4545455), wk = 0.0015026 k( 211) = ( 0.1818182 0.1818182 -0.4545455), wk = 0.0015026 k( 212) = ( 0.1818182 0.1818182 -0.3636364), wk = 0.0015026 k( 213) = ( 0.1818182 0.1818182 -0.2727273), wk = 0.0015026 k( 214) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0015026 k( 215) = ( 0.1818182 0.1818182 -0.0909091), wk = 0.0015026 k( 216) = ( 0.1818182 0.2727273 -0.0000000), wk = 0.0015026 k( 217) = ( 0.1818182 0.2727273 0.0909091), wk = 0.0015026 k( 218) = ( 0.1818182 0.2727273 0.1818182), wk = 0.0015026 k( 219) = ( 0.1818182 0.2727273 0.2727273), wk = 0.0015026 k( 220) = ( 0.1818182 0.2727273 0.3636364), wk = 0.0015026 k( 221) = ( 0.1818182 0.2727273 0.4545455), wk = 0.0015026 k( 222) = ( 0.1818182 0.2727273 -0.4545455), wk = 0.0015026 k( 223) = ( 0.1818182 0.2727273 -0.3636364), wk = 0.0015026 k( 224) = ( 0.1818182 0.2727273 -0.2727273), wk = 0.0015026 k( 225) = ( 0.1818182 0.2727273 -0.1818182), wk = 0.0015026 k( 226) = ( 0.1818182 0.2727273 -0.0909091), wk = 0.0015026 k( 227) = ( 0.1818182 0.3636364 -0.0000000), wk = 0.0015026 k( 228) = ( 0.1818182 0.3636364 0.0909091), wk = 0.0015026 k( 229) = ( 0.1818182 0.3636364 0.1818182), wk = 0.0015026 k( 230) = ( 0.1818182 0.3636364 0.2727273), wk = 0.0015026 k( 231) = ( 0.1818182 0.3636364 0.3636364), wk = 0.0015026 k( 232) = ( 0.1818182 0.3636364 0.4545455), wk = 0.0015026 k( 233) = ( 0.1818182 0.3636364 -0.4545455), wk = 0.0015026 k( 234) = ( 0.1818182 0.3636364 -0.3636364), wk = 0.0015026 k( 235) = ( 0.1818182 0.3636364 -0.2727273), wk = 0.0015026 k( 236) = ( 0.1818182 0.3636364 -0.1818182), wk = 0.0015026 k( 237) = ( 0.1818182 0.3636364 -0.0909091), wk = 0.0015026 k( 238) = ( 0.1818182 0.4545455 0.0000000), wk = 0.0015026 k( 239) = ( 0.1818182 0.4545455 0.0909091), wk = 0.0015026 k( 240) = ( 0.1818182 0.4545455 0.1818182), wk = 0.0015026 k( 241) = ( 0.1818182 0.4545455 0.2727273), wk = 0.0015026 k( 242) = ( 0.1818182 0.4545455 0.3636364), wk = 0.0015026 k( 243) = ( 0.1818182 0.4545455 0.4545455), wk = 0.0015026 k( 244) = ( 0.1818182 0.4545455 -0.4545455), wk = 0.0015026 k( 245) = ( 0.1818182 0.4545455 -0.3636364), wk = 0.0015026 k( 246) = ( 0.1818182 0.4545455 -0.2727273), wk = 0.0015026 k( 247) = ( 0.1818182 0.4545455 -0.1818182), wk = 0.0015026 k( 248) = ( 0.1818182 0.4545455 -0.0909091), wk = 0.0015026 k( 249) = ( 0.1818182 -0.4545455 -0.0000000), wk = 0.0015026 k( 250) = ( 0.1818182 -0.4545455 0.0909091), wk = 0.0015026 k( 251) = ( 0.1818182 -0.4545455 0.1818182), wk = 0.0015026 k( 252) = ( 0.1818182 -0.4545455 0.2727273), wk = 0.0015026 k( 253) = ( 0.1818182 -0.4545455 0.3636364), wk = 0.0015026 k( 254) = ( 0.1818182 -0.4545455 0.4545455), wk = 0.0015026 k( 255) = ( 0.1818182 -0.4545455 -0.4545455), wk = 0.0015026 k( 256) = ( 0.1818182 -0.4545455 -0.3636364), wk = 0.0015026 k( 257) = ( 0.1818182 -0.4545455 -0.2727273), wk = 0.0015026 k( 258) = ( 0.1818182 -0.4545455 -0.1818182), wk = 0.0015026 k( 259) = ( 0.1818182 -0.4545455 -0.0909091), wk = 0.0015026 k( 260) = ( 0.1818182 -0.3636364 0.0000000), wk = 0.0015026 k( 261) = ( 0.1818182 -0.3636364 0.0909091), wk = 0.0015026 k( 262) = ( 0.1818182 -0.3636364 0.1818182), wk = 0.0015026 k( 263) = ( 0.1818182 -0.3636364 0.2727273), wk = 0.0015026 k( 264) = ( 0.1818182 -0.3636364 0.3636364), wk = 0.0015026 k( 265) = ( 0.1818182 -0.3636364 0.4545455), wk = 0.0015026 k( 266) = ( 0.1818182 -0.3636364 -0.4545455), wk = 0.0015026 k( 267) = ( 0.1818182 -0.3636364 -0.3636364), wk = 0.0015026 k( 268) = ( 0.1818182 -0.3636364 -0.2727273), wk = 0.0015026 k( 269) = ( 0.1818182 -0.3636364 -0.1818182), wk = 0.0015026 k( 270) = ( 0.1818182 -0.3636364 -0.0909091), wk = 0.0015026 k( 271) = ( 0.1818182 -0.2727273 0.0000000), wk = 0.0015026 k( 272) = ( 0.1818182 -0.2727273 0.0909091), wk = 0.0015026 k( 273) = ( 0.1818182 -0.2727273 0.1818182), wk = 0.0015026 k( 274) = ( 0.1818182 -0.2727273 0.2727273), wk = 0.0015026 k( 275) = ( 0.1818182 -0.2727273 0.3636364), wk = 0.0015026 k( 276) = ( 0.1818182 -0.2727273 0.4545455), wk = 0.0015026 k( 277) = ( 0.1818182 -0.2727273 -0.4545455), wk = 0.0015026 k( 278) = ( 0.1818182 -0.2727273 -0.3636364), wk = 0.0015026 k( 279) = ( 0.1818182 -0.2727273 -0.2727273), wk = 0.0015026 k( 280) = ( 0.1818182 -0.2727273 -0.1818182), wk = 0.0015026 k( 281) = ( 0.1818182 -0.2727273 -0.0909091), wk = 0.0015026 k( 282) = ( 0.1818182 -0.1818182 0.0000000), wk = 0.0015026 k( 283) = ( 0.1818182 -0.1818182 0.0909091), wk = 0.0015026 k( 284) = ( 0.1818182 -0.1818182 0.1818182), wk = 0.0015026 k( 285) = ( 0.1818182 -0.1818182 0.2727273), wk = 0.0015026 k( 286) = ( 0.1818182 -0.1818182 0.3636364), wk = 0.0015026 k( 287) = ( 0.1818182 -0.1818182 0.4545455), wk = 0.0015026 k( 288) = ( 0.1818182 -0.1818182 -0.4545455), wk = 0.0015026 k( 289) = ( 0.1818182 -0.1818182 -0.3636364), wk = 0.0015026 k( 290) = ( 0.1818182 -0.1818182 -0.2727273), wk = 0.0015026 k( 291) = ( 0.1818182 -0.1818182 -0.1818182), wk = 0.0015026 k( 292) = ( 0.1818182 -0.1818182 -0.0909091), wk = 0.0015026 k( 293) = ( 0.1818182 -0.0909091 -0.0000000), wk = 0.0015026 k( 294) = ( 0.1818182 -0.0909091 0.0909091), wk = 0.0015026 k( 295) = ( 0.1818182 -0.0909091 0.1818182), wk = 0.0015026 k( 296) = ( 0.1818182 -0.0909091 0.2727273), wk = 0.0015026 k( 297) = ( 0.1818182 -0.0909091 0.3636364), wk = 0.0015026 k( 298) = ( 0.1818182 -0.0909091 0.4545455), wk = 0.0015026 k( 299) = ( 0.1818182 -0.0909091 -0.4545455), wk = 0.0015026 k( 300) = ( 0.1818182 -0.0909091 -0.3636364), wk = 0.0015026 k( 301) = ( 0.1818182 -0.0909091 -0.2727273), wk = 0.0015026 k( 302) = ( 0.1818182 -0.0909091 -0.1818182), wk = 0.0015026 k( 303) = ( 0.1818182 -0.0909091 -0.0909091), wk = 0.0015026 k( 304) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0015026 k( 305) = ( 0.2727273 -0.0000000 0.0909091), wk = 0.0015026 k( 306) = ( 0.2727273 -0.0000000 0.1818182), wk = 0.0015026 k( 307) = ( 0.2727273 -0.0000000 0.2727273), wk = 0.0015026 k( 308) = ( 0.2727273 -0.0000000 0.3636364), wk = 0.0015026 k( 309) = ( 0.2727273 -0.0000000 0.4545455), wk = 0.0015026 k( 310) = ( 0.2727273 -0.0000000 -0.4545455), wk = 0.0015026 k( 311) = ( 0.2727273 -0.0000000 -0.3636364), wk = 0.0015026 k( 312) = ( 0.2727273 -0.0000000 -0.2727273), wk = 0.0015026 k( 313) = ( 0.2727273 -0.0000000 -0.1818182), wk = 0.0015026 k( 314) = ( 0.2727273 -0.0000000 -0.0909091), wk = 0.0015026 k( 315) = ( 0.2727273 0.0909091 -0.0000000), wk = 0.0015026 k( 316) = ( 0.2727273 0.0909091 0.0909091), wk = 0.0015026 k( 317) = ( 0.2727273 0.0909091 0.1818182), wk = 0.0015026 k( 318) = ( 0.2727273 0.0909091 0.2727273), wk = 0.0015026 k( 319) = ( 0.2727273 0.0909091 0.3636364), wk = 0.0015026 k( 320) = ( 0.2727273 0.0909091 0.4545455), wk = 0.0015026 k( 321) = ( 0.2727273 0.0909091 -0.4545455), wk = 0.0015026 k( 322) = ( 0.2727273 0.0909091 -0.3636364), wk = 0.0015026 k( 323) = ( 0.2727273 0.0909091 -0.2727273), wk = 0.0015026 k( 324) = ( 0.2727273 0.0909091 -0.1818182), wk = 0.0015026 k( 325) = ( 0.2727273 0.0909091 -0.0909091), wk = 0.0015026 k( 326) = ( 0.2727273 0.1818182 -0.0000000), wk = 0.0015026 k( 327) = ( 0.2727273 0.1818182 0.0909091), wk = 0.0015026 k( 328) = ( 0.2727273 0.1818182 0.1818182), wk = 0.0015026 k( 329) = ( 0.2727273 0.1818182 0.2727273), wk = 0.0015026 k( 330) = ( 0.2727273 0.1818182 0.3636364), wk = 0.0015026 k( 331) = ( 0.2727273 0.1818182 0.4545455), wk = 0.0015026 k( 332) = ( 0.2727273 0.1818182 -0.4545455), wk = 0.0015026 k( 333) = ( 0.2727273 0.1818182 -0.3636364), wk = 0.0015026 k( 334) = ( 0.2727273 0.1818182 -0.2727273), wk = 0.0015026 k( 335) = ( 0.2727273 0.1818182 -0.1818182), wk = 0.0015026 k( 336) = ( 0.2727273 0.1818182 -0.0909091), wk = 0.0015026 k( 337) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0015026 k( 338) = ( 0.2727273 0.2727273 0.0909091), wk = 0.0015026 k( 339) = ( 0.2727273 0.2727273 0.1818182), wk = 0.0015026 k( 340) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0015026 k( 341) = ( 0.2727273 0.2727273 0.3636364), wk = 0.0015026 k( 342) = ( 0.2727273 0.2727273 0.4545455), wk = 0.0015026 k( 343) = ( 0.2727273 0.2727273 -0.4545455), wk = 0.0015026 k( 344) = ( 0.2727273 0.2727273 -0.3636364), wk = 0.0015026 k( 345) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0015026 k( 346) = ( 0.2727273 0.2727273 -0.1818182), wk = 0.0015026 k( 347) = ( 0.2727273 0.2727273 -0.0909091), wk = 0.0015026 k( 348) = ( 0.2727273 0.3636364 0.0000000), wk = 0.0015026 k( 349) = ( 0.2727273 0.3636364 0.0909091), wk = 0.0015026 k( 350) = ( 0.2727273 0.3636364 0.1818182), wk = 0.0015026 k( 351) = ( 0.2727273 0.3636364 0.2727273), wk = 0.0015026 k( 352) = ( 0.2727273 0.3636364 0.3636364), wk = 0.0015026 k( 353) = ( 0.2727273 0.3636364 0.4545455), wk = 0.0015026 k( 354) = ( 0.2727273 0.3636364 -0.4545455), wk = 0.0015026 k( 355) = ( 0.2727273 0.3636364 -0.3636364), wk = 0.0015026 k( 356) = ( 0.2727273 0.3636364 -0.2727273), wk = 0.0015026 k( 357) = ( 0.2727273 0.3636364 -0.1818182), wk = 0.0015026 k( 358) = ( 0.2727273 0.3636364 -0.0909091), wk = 0.0015026 k( 359) = ( 0.2727273 0.4545455 0.0000000), wk = 0.0015026 k( 360) = ( 0.2727273 0.4545455 0.0909091), wk = 0.0015026 k( 361) = ( 0.2727273 0.4545455 0.1818182), wk = 0.0015026 k( 362) = ( 0.2727273 0.4545455 0.2727273), wk = 0.0015026 k( 363) = ( 0.2727273 0.4545455 0.3636364), wk = 0.0015026 k( 364) = ( 0.2727273 0.4545455 0.4545455), wk = 0.0015026 k( 365) = ( 0.2727273 0.4545455 -0.4545455), wk = 0.0015026 k( 366) = ( 0.2727273 0.4545455 -0.3636364), wk = 0.0015026 k( 367) = ( 0.2727273 0.4545455 -0.2727273), wk = 0.0015026 k( 368) = ( 0.2727273 0.4545455 -0.1818182), wk = 0.0015026 k( 369) = ( 0.2727273 0.4545455 -0.0909091), wk = 0.0015026 k( 370) = ( 0.2727273 -0.4545455 -0.0000000), wk = 0.0015026 k( 371) = ( 0.2727273 -0.4545455 0.0909091), wk = 0.0015026 k( 372) = ( 0.2727273 -0.4545455 0.1818182), wk = 0.0015026 k( 373) = ( 0.2727273 -0.4545455 0.2727273), wk = 0.0015026 k( 374) = ( 0.2727273 -0.4545455 0.3636364), wk = 0.0015026 k( 375) = ( 0.2727273 -0.4545455 0.4545455), wk = 0.0015026 k( 376) = ( 0.2727273 -0.4545455 -0.4545455), wk = 0.0015026 k( 377) = ( 0.2727273 -0.4545455 -0.3636364), wk = 0.0015026 k( 378) = ( 0.2727273 -0.4545455 -0.2727273), wk = 0.0015026 k( 379) = ( 0.2727273 -0.4545455 -0.1818182), wk = 0.0015026 k( 380) = ( 0.2727273 -0.4545455 -0.0909091), wk = 0.0015026 k( 381) = ( 0.2727273 -0.3636364 0.0000000), wk = 0.0015026 k( 382) = ( 0.2727273 -0.3636364 0.0909091), wk = 0.0015026 k( 383) = ( 0.2727273 -0.3636364 0.1818182), wk = 0.0015026 k( 384) = ( 0.2727273 -0.3636364 0.2727273), wk = 0.0015026 k( 385) = ( 0.2727273 -0.3636364 0.3636364), wk = 0.0015026 k( 386) = ( 0.2727273 -0.3636364 0.4545455), wk = 0.0015026 k( 387) = ( 0.2727273 -0.3636364 -0.4545455), wk = 0.0015026 k( 388) = ( 0.2727273 -0.3636364 -0.3636364), wk = 0.0015026 k( 389) = ( 0.2727273 -0.3636364 -0.2727273), wk = 0.0015026 k( 390) = ( 0.2727273 -0.3636364 -0.1818182), wk = 0.0015026 k( 391) = ( 0.2727273 -0.3636364 -0.0909091), wk = 0.0015026 k( 392) = ( 0.2727273 -0.2727273 -0.0000000), wk = 0.0015026 k( 393) = ( 0.2727273 -0.2727273 0.0909091), wk = 0.0015026 k( 394) = ( 0.2727273 -0.2727273 0.1818182), wk = 0.0015026 k( 395) = ( 0.2727273 -0.2727273 0.2727273), wk = 0.0015026 k( 396) = ( 0.2727273 -0.2727273 0.3636364), wk = 0.0015026 k( 397) = ( 0.2727273 -0.2727273 0.4545455), wk = 0.0015026 k( 398) = ( 0.2727273 -0.2727273 -0.4545455), wk = 0.0015026 k( 399) = ( 0.2727273 -0.2727273 -0.3636364), wk = 0.0015026 k( 400) = ( 0.2727273 -0.2727273 -0.2727273), wk = 0.0015026 k( 401) = ( 0.2727273 -0.2727273 -0.1818182), wk = 0.0015026 k( 402) = ( 0.2727273 -0.2727273 -0.0909091), wk = 0.0015026 k( 403) = ( 0.2727273 -0.1818182 0.0000000), wk = 0.0015026 k( 404) = ( 0.2727273 -0.1818182 0.0909091), wk = 0.0015026 k( 405) = ( 0.2727273 -0.1818182 0.1818182), wk = 0.0015026 k( 406) = ( 0.2727273 -0.1818182 0.2727273), wk = 0.0015026 k( 407) = ( 0.2727273 -0.1818182 0.3636364), wk = 0.0015026 k( 408) = ( 0.2727273 -0.1818182 0.4545455), wk = 0.0015026 k( 409) = ( 0.2727273 -0.1818182 -0.4545455), wk = 0.0015026 k( 410) = ( 0.2727273 -0.1818182 -0.3636364), wk = 0.0015026 k( 411) = ( 0.2727273 -0.1818182 -0.2727273), wk = 0.0015026 k( 412) = ( 0.2727273 -0.1818182 -0.1818182), wk = 0.0015026 k( 413) = ( 0.2727273 -0.1818182 -0.0909091), wk = 0.0015026 k( 414) = ( 0.2727273 -0.0909091 -0.0000000), wk = 0.0015026 k( 415) = ( 0.2727273 -0.0909091 0.0909091), wk = 0.0015026 k( 416) = ( 0.2727273 -0.0909091 0.1818182), wk = 0.0015026 k( 417) = ( 0.2727273 -0.0909091 0.2727273), wk = 0.0015026 k( 418) = ( 0.2727273 -0.0909091 0.3636364), wk = 0.0015026 k( 419) = ( 0.2727273 -0.0909091 0.4545455), wk = 0.0015026 k( 420) = ( 0.2727273 -0.0909091 -0.4545455), wk = 0.0015026 k( 421) = ( 0.2727273 -0.0909091 -0.3636364), wk = 0.0015026 k( 422) = ( 0.2727273 -0.0909091 -0.2727273), wk = 0.0015026 k( 423) = ( 0.2727273 -0.0909091 -0.1818182), wk = 0.0015026 k( 424) = ( 0.2727273 -0.0909091 -0.0909091), wk = 0.0015026 k( 425) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0015026 k( 426) = ( 0.3636364 -0.0000000 0.0909091), wk = 0.0015026 k( 427) = ( 0.3636364 -0.0000000 0.1818182), wk = 0.0015026 k( 428) = ( 0.3636364 -0.0000000 0.2727273), wk = 0.0015026 k( 429) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0015026 k( 430) = ( 0.3636364 -0.0000000 0.4545455), wk = 0.0015026 k( 431) = ( 0.3636364 -0.0000000 -0.4545455), wk = 0.0015026 k( 432) = ( 0.3636364 -0.0000000 -0.3636364), wk = 0.0015026 k( 433) = ( 0.3636364 -0.0000000 -0.2727273), wk = 0.0015026 k( 434) = ( 0.3636364 -0.0000000 -0.1818182), wk = 0.0015026 k( 435) = ( 0.3636364 -0.0000000 -0.0909091), wk = 0.0015026 k( 436) = ( 0.3636364 0.0909091 -0.0000000), wk = 0.0015026 k( 437) = ( 0.3636364 0.0909091 0.0909091), wk = 0.0015026 k( 438) = ( 0.3636364 0.0909091 0.1818182), wk = 0.0015026 k( 439) = ( 0.3636364 0.0909091 0.2727273), wk = 0.0015026 k( 440) = ( 0.3636364 0.0909091 0.3636364), wk = 0.0015026 k( 441) = ( 0.3636364 0.0909091 0.4545455), wk = 0.0015026 k( 442) = ( 0.3636364 0.0909091 -0.4545455), wk = 0.0015026 k( 443) = ( 0.3636364 0.0909091 -0.3636364), wk = 0.0015026 k( 444) = ( 0.3636364 0.0909091 -0.2727273), wk = 0.0015026 k( 445) = ( 0.3636364 0.0909091 -0.1818182), wk = 0.0015026 k( 446) = ( 0.3636364 0.0909091 -0.0909091), wk = 0.0015026 k( 447) = ( 0.3636364 0.1818182 -0.0000000), wk = 0.0015026 k( 448) = ( 0.3636364 0.1818182 0.0909091), wk = 0.0015026 k( 449) = ( 0.3636364 0.1818182 0.1818182), wk = 0.0015026 k( 450) = ( 0.3636364 0.1818182 0.2727273), wk = 0.0015026 k( 451) = ( 0.3636364 0.1818182 0.3636364), wk = 0.0015026 k( 452) = ( 0.3636364 0.1818182 0.4545455), wk = 0.0015026 k( 453) = ( 0.3636364 0.1818182 -0.4545455), wk = 0.0015026 k( 454) = ( 0.3636364 0.1818182 -0.3636364), wk = 0.0015026 k( 455) = ( 0.3636364 0.1818182 -0.2727273), wk = 0.0015026 k( 456) = ( 0.3636364 0.1818182 -0.1818182), wk = 0.0015026 k( 457) = ( 0.3636364 0.1818182 -0.0909091), wk = 0.0015026 k( 458) = ( 0.3636364 0.2727273 -0.0000000), wk = 0.0015026 k( 459) = ( 0.3636364 0.2727273 0.0909091), wk = 0.0015026 k( 460) = ( 0.3636364 0.2727273 0.1818182), wk = 0.0015026 k( 461) = ( 0.3636364 0.2727273 0.2727273), wk = 0.0015026 k( 462) = ( 0.3636364 0.2727273 0.3636364), wk = 0.0015026 k( 463) = ( 0.3636364 0.2727273 0.4545455), wk = 0.0015026 k( 464) = ( 0.3636364 0.2727273 -0.4545455), wk = 0.0015026 k( 465) = ( 0.3636364 0.2727273 -0.3636364), wk = 0.0015026 k( 466) = ( 0.3636364 0.2727273 -0.2727273), wk = 0.0015026 k( 467) = ( 0.3636364 0.2727273 -0.1818182), wk = 0.0015026 k( 468) = ( 0.3636364 0.2727273 -0.0909091), wk = 0.0015026 k( 469) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0015026 k( 470) = ( 0.3636364 0.3636364 0.0909091), wk = 0.0015026 k( 471) = ( 0.3636364 0.3636364 0.1818182), wk = 0.0015026 k( 472) = ( 0.3636364 0.3636364 0.2727273), wk = 0.0015026 k( 473) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0015026 k( 474) = ( 0.3636364 0.3636364 0.4545455), wk = 0.0015026 k( 475) = ( 0.3636364 0.3636364 -0.4545455), wk = 0.0015026 k( 476) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0015026 k( 477) = ( 0.3636364 0.3636364 -0.2727273), wk = 0.0015026 k( 478) = ( 0.3636364 0.3636364 -0.1818182), wk = 0.0015026 k( 479) = ( 0.3636364 0.3636364 -0.0909091), wk = 0.0015026 k( 480) = ( 0.3636364 0.4545455 -0.0000000), wk = 0.0015026 k( 481) = ( 0.3636364 0.4545455 0.0909091), wk = 0.0015026 k( 482) = ( 0.3636364 0.4545455 0.1818182), wk = 0.0015026 k( 483) = ( 0.3636364 0.4545455 0.2727273), wk = 0.0015026 k( 484) = ( 0.3636364 0.4545455 0.3636364), wk = 0.0015026 k( 485) = ( 0.3636364 0.4545455 0.4545455), wk = 0.0015026 k( 486) = ( 0.3636364 0.4545455 -0.4545455), wk = 0.0015026 k( 487) = ( 0.3636364 0.4545455 -0.3636364), wk = 0.0015026 k( 488) = ( 0.3636364 0.4545455 -0.2727273), wk = 0.0015026 k( 489) = ( 0.3636364 0.4545455 -0.1818182), wk = 0.0015026 k( 490) = ( 0.3636364 0.4545455 -0.0909091), wk = 0.0015026 k( 491) = ( 0.3636364 -0.4545455 0.0000000), wk = 0.0015026 k( 492) = ( 0.3636364 -0.4545455 0.0909091), wk = 0.0015026 k( 493) = ( 0.3636364 -0.4545455 0.1818182), wk = 0.0015026 k( 494) = ( 0.3636364 -0.4545455 0.2727273), wk = 0.0015026 k( 495) = ( 0.3636364 -0.4545455 0.3636364), wk = 0.0015026 k( 496) = ( 0.3636364 -0.4545455 0.4545455), wk = 0.0015026 k( 497) = ( 0.3636364 -0.4545455 -0.4545455), wk = 0.0015026 k( 498) = ( 0.3636364 -0.4545455 -0.3636364), wk = 0.0015026 k( 499) = ( 0.3636364 -0.4545455 -0.2727273), wk = 0.0015026 k( 500) = ( 0.3636364 -0.4545455 -0.1818182), wk = 0.0015026 k( 501) = ( 0.3636364 -0.4545455 -0.0909091), wk = 0.0015026 k( 502) = ( 0.3636364 -0.3636364 0.0000000), wk = 0.0015026 k( 503) = ( 0.3636364 -0.3636364 0.0909091), wk = 0.0015026 k( 504) = ( 0.3636364 -0.3636364 0.1818182), wk = 0.0015026 k( 505) = ( 0.3636364 -0.3636364 0.2727273), wk = 0.0015026 k( 506) = ( 0.3636364 -0.3636364 0.3636364), wk = 0.0015026 k( 507) = ( 0.3636364 -0.3636364 0.4545455), wk = 0.0015026 k( 508) = ( 0.3636364 -0.3636364 -0.4545455), wk = 0.0015026 k( 509) = ( 0.3636364 -0.3636364 -0.3636364), wk = 0.0015026 k( 510) = ( 0.3636364 -0.3636364 -0.2727273), wk = 0.0015026 k( 511) = ( 0.3636364 -0.3636364 -0.1818182), wk = 0.0015026 k( 512) = ( 0.3636364 -0.3636364 -0.0909091), wk = 0.0015026 k( 513) = ( 0.3636364 -0.2727273 0.0000000), wk = 0.0015026 k( 514) = ( 0.3636364 -0.2727273 0.0909091), wk = 0.0015026 k( 515) = ( 0.3636364 -0.2727273 0.1818182), wk = 0.0015026 k( 516) = ( 0.3636364 -0.2727273 0.2727273), wk = 0.0015026 k( 517) = ( 0.3636364 -0.2727273 0.3636364), wk = 0.0015026 k( 518) = ( 0.3636364 -0.2727273 0.4545455), wk = 0.0015026 k( 519) = ( 0.3636364 -0.2727273 -0.4545455), wk = 0.0015026 k( 520) = ( 0.3636364 -0.2727273 -0.3636364), wk = 0.0015026 k( 521) = ( 0.3636364 -0.2727273 -0.2727273), wk = 0.0015026 k( 522) = ( 0.3636364 -0.2727273 -0.1818182), wk = 0.0015026 k( 523) = ( 0.3636364 -0.2727273 -0.0909091), wk = 0.0015026 k( 524) = ( 0.3636364 -0.1818182 0.0000000), wk = 0.0015026 k( 525) = ( 0.3636364 -0.1818182 0.0909091), wk = 0.0015026 k( 526) = ( 0.3636364 -0.1818182 0.1818182), wk = 0.0015026 k( 527) = ( 0.3636364 -0.1818182 0.2727273), wk = 0.0015026 k( 528) = ( 0.3636364 -0.1818182 0.3636364), wk = 0.0015026 k( 529) = ( 0.3636364 -0.1818182 0.4545455), wk = 0.0015026 k( 530) = ( 0.3636364 -0.1818182 -0.4545455), wk = 0.0015026 k( 531) = ( 0.3636364 -0.1818182 -0.3636364), wk = 0.0015026 k( 532) = ( 0.3636364 -0.1818182 -0.2727273), wk = 0.0015026 k( 533) = ( 0.3636364 -0.1818182 -0.1818182), wk = 0.0015026 k( 534) = ( 0.3636364 -0.1818182 -0.0909091), wk = 0.0015026 k( 535) = ( 0.3636364 -0.0909091 -0.0000000), wk = 0.0015026 k( 536) = ( 0.3636364 -0.0909091 0.0909091), wk = 0.0015026 k( 537) = ( 0.3636364 -0.0909091 0.1818182), wk = 0.0015026 k( 538) = ( 0.3636364 -0.0909091 0.2727273), wk = 0.0015026 k( 539) = ( 0.3636364 -0.0909091 0.3636364), wk = 0.0015026 k( 540) = ( 0.3636364 -0.0909091 0.4545455), wk = 0.0015026 k( 541) = ( 0.3636364 -0.0909091 -0.4545455), wk = 0.0015026 k( 542) = ( 0.3636364 -0.0909091 -0.3636364), wk = 0.0015026 k( 543) = ( 0.3636364 -0.0909091 -0.2727273), wk = 0.0015026 k( 544) = ( 0.3636364 -0.0909091 -0.1818182), wk = 0.0015026 k( 545) = ( 0.3636364 -0.0909091 -0.0909091), wk = 0.0015026 k( 546) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0015026 k( 547) = ( 0.4545455 -0.0000000 0.0909091), wk = 0.0015026 k( 548) = ( 0.4545455 -0.0000000 0.1818182), wk = 0.0015026 k( 549) = ( 0.4545455 -0.0000000 0.2727273), wk = 0.0015026 k( 550) = ( 0.4545455 -0.0000000 0.3636364), wk = 0.0015026 k( 551) = ( 0.4545455 -0.0000000 0.4545455), wk = 0.0015026 k( 552) = ( 0.4545455 -0.0000000 -0.4545455), wk = 0.0015026 k( 553) = ( 0.4545455 -0.0000000 -0.3636364), wk = 0.0015026 k( 554) = ( 0.4545455 -0.0000000 -0.2727273), wk = 0.0015026 k( 555) = ( 0.4545455 -0.0000000 -0.1818182), wk = 0.0015026 k( 556) = ( 0.4545455 -0.0000000 -0.0909091), wk = 0.0015026 k( 557) = ( 0.4545455 0.0909091 -0.0000000), wk = 0.0015026 k( 558) = ( 0.4545455 0.0909091 0.0909091), wk = 0.0015026 k( 559) = ( 0.4545455 0.0909091 0.1818182), wk = 0.0015026 k( 560) = ( 0.4545455 0.0909091 0.2727273), wk = 0.0015026 k( 561) = ( 0.4545455 0.0909091 0.3636364), wk = 0.0015026 k( 562) = ( 0.4545455 0.0909091 0.4545455), wk = 0.0015026 k( 563) = ( 0.4545455 0.0909091 -0.4545455), wk = 0.0015026 k( 564) = ( 0.4545455 0.0909091 -0.3636364), wk = 0.0015026 k( 565) = ( 0.4545455 0.0909091 -0.2727273), wk = 0.0015026 k( 566) = ( 0.4545455 0.0909091 -0.1818182), wk = 0.0015026 k( 567) = ( 0.4545455 0.0909091 -0.0909091), wk = 0.0015026 k( 568) = ( 0.4545455 0.1818182 0.0000000), wk = 0.0015026 k( 569) = ( 0.4545455 0.1818182 0.0909091), wk = 0.0015026 k( 570) = ( 0.4545455 0.1818182 0.1818182), wk = 0.0015026 k( 571) = ( 0.4545455 0.1818182 0.2727273), wk = 0.0015026 k( 572) = ( 0.4545455 0.1818182 0.3636364), wk = 0.0015026 k( 573) = ( 0.4545455 0.1818182 0.4545455), wk = 0.0015026 k( 574) = ( 0.4545455 0.1818182 -0.4545455), wk = 0.0015026 k( 575) = ( 0.4545455 0.1818182 -0.3636364), wk = 0.0015026 k( 576) = ( 0.4545455 0.1818182 -0.2727273), wk = 0.0015026 k( 577) = ( 0.4545455 0.1818182 -0.1818182), wk = 0.0015026 k( 578) = ( 0.4545455 0.1818182 -0.0909091), wk = 0.0015026 k( 579) = ( 0.4545455 0.2727273 -0.0000000), wk = 0.0015026 k( 580) = ( 0.4545455 0.2727273 0.0909091), wk = 0.0015026 k( 581) = ( 0.4545455 0.2727273 0.1818182), wk = 0.0015026 k( 582) = ( 0.4545455 0.2727273 0.2727273), wk = 0.0015026 k( 583) = ( 0.4545455 0.2727273 0.3636364), wk = 0.0015026 k( 584) = ( 0.4545455 0.2727273 0.4545455), wk = 0.0015026 k( 585) = ( 0.4545455 0.2727273 -0.4545455), wk = 0.0015026 k( 586) = ( 0.4545455 0.2727273 -0.3636364), wk = 0.0015026 k( 587) = ( 0.4545455 0.2727273 -0.2727273), wk = 0.0015026 k( 588) = ( 0.4545455 0.2727273 -0.1818182), wk = 0.0015026 k( 589) = ( 0.4545455 0.2727273 -0.0909091), wk = 0.0015026 k( 590) = ( 0.4545455 0.3636364 -0.0000000), wk = 0.0015026 k( 591) = ( 0.4545455 0.3636364 0.0909091), wk = 0.0015026 k( 592) = ( 0.4545455 0.3636364 0.1818182), wk = 0.0015026 k( 593) = ( 0.4545455 0.3636364 0.2727273), wk = 0.0015026 k( 594) = ( 0.4545455 0.3636364 0.3636364), wk = 0.0015026 k( 595) = ( 0.4545455 0.3636364 0.4545455), wk = 0.0015026 k( 596) = ( 0.4545455 0.3636364 -0.4545455), wk = 0.0015026 k( 597) = ( 0.4545455 0.3636364 -0.3636364), wk = 0.0015026 k( 598) = ( 0.4545455 0.3636364 -0.2727273), wk = 0.0015026 k( 599) = ( 0.4545455 0.3636364 -0.1818182), wk = 0.0015026 k( 600) = ( 0.4545455 0.3636364 -0.0909091), wk = 0.0015026 k( 601) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0015026 k( 602) = ( 0.4545455 0.4545455 0.0909091), wk = 0.0015026 k( 603) = ( 0.4545455 0.4545455 0.1818182), wk = 0.0015026 k( 604) = ( 0.4545455 0.4545455 0.2727273), wk = 0.0015026 k( 605) = ( 0.4545455 0.4545455 0.3636364), wk = 0.0015026 k( 606) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0015026 k( 607) = ( 0.4545455 0.4545455 -0.4545455), wk = 0.0015026 k( 608) = ( 0.4545455 0.4545455 -0.3636364), wk = 0.0015026 k( 609) = ( 0.4545455 0.4545455 -0.2727273), wk = 0.0015026 k( 610) = ( 0.4545455 0.4545455 -0.1818182), wk = 0.0015026 k( 611) = ( 0.4545455 0.4545455 -0.0909091), wk = 0.0015026 k( 612) = ( 0.4545455 -0.4545455 0.0000000), wk = 0.0015026 k( 613) = ( 0.4545455 -0.4545455 0.0909091), wk = 0.0015026 k( 614) = ( 0.4545455 -0.4545455 0.1818182), wk = 0.0015026 k( 615) = ( 0.4545455 -0.4545455 0.2727273), wk = 0.0015026 k( 616) = ( 0.4545455 -0.4545455 0.3636364), wk = 0.0015026 k( 617) = ( 0.4545455 -0.4545455 0.4545455), wk = 0.0015026 k( 618) = ( 0.4545455 -0.4545455 -0.4545455), wk = 0.0015026 k( 619) = ( 0.4545455 -0.4545455 -0.3636364), wk = 0.0015026 k( 620) = ( 0.4545455 -0.4545455 -0.2727273), wk = 0.0015026 k( 621) = ( 0.4545455 -0.4545455 -0.1818182), wk = 0.0015026 k( 622) = ( 0.4545455 -0.4545455 -0.0909091), wk = 0.0015026 k( 623) = ( 0.4545455 -0.3636364 -0.0000000), wk = 0.0015026 k( 624) = ( 0.4545455 -0.3636364 0.0909091), wk = 0.0015026 k( 625) = ( 0.4545455 -0.3636364 0.1818182), wk = 0.0015026 k( 626) = ( 0.4545455 -0.3636364 0.2727273), wk = 0.0015026 k( 627) = ( 0.4545455 -0.3636364 0.3636364), wk = 0.0015026 k( 628) = ( 0.4545455 -0.3636364 0.4545455), wk = 0.0015026 k( 629) = ( 0.4545455 -0.3636364 -0.4545455), wk = 0.0015026 k( 630) = ( 0.4545455 -0.3636364 -0.3636364), wk = 0.0015026 k( 631) = ( 0.4545455 -0.3636364 -0.2727273), wk = 0.0015026 k( 632) = ( 0.4545455 -0.3636364 -0.1818182), wk = 0.0015026 k( 633) = ( 0.4545455 -0.3636364 -0.0909091), wk = 0.0015026 k( 634) = ( 0.4545455 -0.2727273 -0.0000000), wk = 0.0015026 k( 635) = ( 0.4545455 -0.2727273 0.0909091), wk = 0.0015026 k( 636) = ( 0.4545455 -0.2727273 0.1818182), wk = 0.0015026 k( 637) = ( 0.4545455 -0.2727273 0.2727273), wk = 0.0015026 k( 638) = ( 0.4545455 -0.2727273 0.3636364), wk = 0.0015026 k( 639) = ( 0.4545455 -0.2727273 0.4545455), wk = 0.0015026 k( 640) = ( 0.4545455 -0.2727273 -0.4545455), wk = 0.0015026 k( 641) = ( 0.4545455 -0.2727273 -0.3636364), wk = 0.0015026 k( 642) = ( 0.4545455 -0.2727273 -0.2727273), wk = 0.0015026 k( 643) = ( 0.4545455 -0.2727273 -0.1818182), wk = 0.0015026 k( 644) = ( 0.4545455 -0.2727273 -0.0909091), wk = 0.0015026 k( 645) = ( 0.4545455 -0.1818182 0.0000000), wk = 0.0015026 k( 646) = ( 0.4545455 -0.1818182 0.0909091), wk = 0.0015026 k( 647) = ( 0.4545455 -0.1818182 0.1818182), wk = 0.0015026 k( 648) = ( 0.4545455 -0.1818182 0.2727273), wk = 0.0015026 k( 649) = ( 0.4545455 -0.1818182 0.3636364), wk = 0.0015026 k( 650) = ( 0.4545455 -0.1818182 0.4545455), wk = 0.0015026 k( 651) = ( 0.4545455 -0.1818182 -0.4545455), wk = 0.0015026 k( 652) = ( 0.4545455 -0.1818182 -0.3636364), wk = 0.0015026 k( 653) = ( 0.4545455 -0.1818182 -0.2727273), wk = 0.0015026 k( 654) = ( 0.4545455 -0.1818182 -0.1818182), wk = 0.0015026 k( 655) = ( 0.4545455 -0.1818182 -0.0909091), wk = 0.0015026 k( 656) = ( 0.4545455 -0.0909091 0.0000000), wk = 0.0015026 k( 657) = ( 0.4545455 -0.0909091 0.0909091), wk = 0.0015026 k( 658) = ( 0.4545455 -0.0909091 0.1818182), wk = 0.0015026 k( 659) = ( 0.4545455 -0.0909091 0.2727273), wk = 0.0015026 k( 660) = ( 0.4545455 -0.0909091 0.3636364), wk = 0.0015026 k( 661) = ( 0.4545455 -0.0909091 0.4545455), wk = 0.0015026 k( 662) = ( 0.4545455 -0.0909091 -0.4545455), wk = 0.0015026 k( 663) = ( 0.4545455 -0.0909091 -0.3636364), wk = 0.0015026 k( 664) = ( 0.4545455 -0.0909091 -0.2727273), wk = 0.0015026 k( 665) = ( 0.4545455 -0.0909091 -0.1818182), wk = 0.0015026 k( 666) = ( 0.4545455 -0.0909091 -0.0909091), wk = 0.0015026 Dense grid: 30591 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 218, 26) NL pseudopotentials 0.13 Mb ( 109, 76) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 849) G-vector shells 0.01 Mb ( 697) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 218, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.06 Mb ( 76, 2, 26) Arrays for rho mixing 1.00 Mb ( 8192, 8) Check: negative/imaginary core charge= -0.000001 0.000000 Initial potential from superposition of free atoms starting charge 17.99313, renormalised to 18.00000 Starting wfc are 34 randomized atomic wfcs total cpu time spent up to now is 22.4 secs per-process dynamical memory: 89.8 Mb Self-consistent Calculation iteration # 1 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.00E-02, avg # of iterations = 5.2 total cpu time spent up to now is 84.8 secs total energy = -84.91951099 Ry Harris-Foulkes estimate = -85.39163087 Ry estimated scf accuracy < 0.66252740 Ry iteration # 2 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 3.68E-03, avg # of iterations = 3.3 total cpu time spent up to now is 147.2 secs total energy = -85.11860790 Ry Harris-Foulkes estimate = -85.38817826 Ry estimated scf accuracy < 0.54896597 Ry iteration # 3 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 3.05E-03, avg # of iterations = 1.1 total cpu time spent up to now is 188.8 secs total energy = -85.14191888 Ry Harris-Foulkes estimate = -85.17465566 Ry estimated scf accuracy < 0.05220604 Ry iteration # 4 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.90E-04, avg # of iterations = 3.4 total cpu time spent up to now is 258.4 secs total energy = -85.22885042 Ry Harris-Foulkes estimate = -85.26380505 Ry estimated scf accuracy < 0.12589274 Ry iteration # 5 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.90E-04, avg # of iterations = 1.0 total cpu time spent up to now is 299.9 secs total energy = -85.21639965 Ry Harris-Foulkes estimate = -85.23218060 Ry estimated scf accuracy < 0.05155637 Ry iteration # 6 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.86E-04, avg # of iterations = 3.0 total cpu time spent up to now is 352.1 secs total energy = -85.22554038 Ry Harris-Foulkes estimate = -85.22573212 Ry estimated scf accuracy < 0.00298715 Ry iteration # 7 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.66E-05, avg # of iterations = 3.3 total cpu time spent up to now is 402.2 secs total energy = -85.22548573 Ry Harris-Foulkes estimate = -85.22584642 Ry estimated scf accuracy < 0.00223094 Ry iteration # 8 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.24E-05, avg # of iterations = 1.2 total cpu time spent up to now is 444.2 secs total energy = -85.22505329 Ry Harris-Foulkes estimate = -85.22553671 Ry estimated scf accuracy < 0.00127812 Ry iteration # 9 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 7.10E-06, avg # of iterations = 3.7 total cpu time spent up to now is 494.8 secs total energy = -85.22519477 Ry Harris-Foulkes estimate = -85.22520110 Ry estimated scf accuracy < 0.00014080 Ry iteration # 10 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 7.82E-07, avg # of iterations = 4.1 total cpu time spent up to now is 556.5 secs total energy = -85.22526219 Ry Harris-Foulkes estimate = -85.22526356 Ry estimated scf accuracy < 0.00003373 Ry iteration # 11 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.87E-07, avg # of iterations = 1.0 total cpu time spent up to now is 598.1 secs total energy = -85.22525651 Ry Harris-Foulkes estimate = -85.22526264 Ry estimated scf accuracy < 0.00003012 Ry iteration # 12 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 1.67E-07, avg # of iterations = 1.0 total cpu time spent up to now is 639.6 secs total energy = -85.22525608 Ry Harris-Foulkes estimate = -85.22525723 Ry estimated scf accuracy < 0.00001433 Ry iteration # 13 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 7.96E-08, avg # of iterations = 1.0 total cpu time spent up to now is 681.4 secs total energy = -85.22525623 Ry Harris-Foulkes estimate = -85.22525642 Ry estimated scf accuracy < 0.00001010 Ry iteration # 14 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 5.61E-08, avg # of iterations = 1.0 total cpu time spent up to now is 723.0 secs total energy = -85.22525615 Ry Harris-Foulkes estimate = -85.22525632 Ry estimated scf accuracy < 0.00000896 Ry iteration # 15 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 4.98E-08, avg # of iterations = 1.0 total cpu time spent up to now is 764.5 secs total energy = -85.22525569 Ry Harris-Foulkes estimate = -85.22525621 Ry estimated scf accuracy < 0.00000799 Ry iteration # 16 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 4.44E-08, avg # of iterations = 1.0 total cpu time spent up to now is 805.9 secs total energy = -85.22525486 Ry Harris-Foulkes estimate = -85.22525576 Ry estimated scf accuracy < 0.00000622 Ry iteration # 17 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 3.46E-08, avg # of iterations = 1.1 total cpu time spent up to now is 847.6 secs total energy = -85.22525546 Ry Harris-Foulkes estimate = -85.22525499 Ry estimated scf accuracy < 0.00000364 Ry iteration # 18 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.02E-08, avg # of iterations = 1.0 total cpu time spent up to now is 889.0 secs total energy = -85.22525304 Ry Harris-Foulkes estimate = -85.22525549 Ry estimated scf accuracy < 0.00000476 Ry iteration # 19 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 2.02E-08, avg # of iterations = 2.6 total cpu time spent up to now is 935.7 secs total energy = -85.22525372 Ry Harris-Foulkes estimate = -85.22525378 Ry estimated scf accuracy < 0.00000010 Ry iteration # 20 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 5.53E-10, avg # of iterations = 4.3 total cpu time spent up to now is 1008.6 secs total energy = -85.22525402 Ry Harris-Foulkes estimate = -85.22525425 Ry estimated scf accuracy < 0.00000036 Ry iteration # 21 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 5.53E-10, avg # of iterations = 3.1 total cpu time spent up to now is 1071.8 secs total energy = -85.22525437 Ry Harris-Foulkes estimate = -85.22525417 Ry estimated scf accuracy < 0.00000009 Ry iteration # 22 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 5.03E-10, avg # of iterations = 3.1 total cpu time spent up to now is 1134.3 secs total energy = -85.22525431 Ry Harris-Foulkes estimate = -85.22525448 Ry estimated scf accuracy < 0.00000108 Ry iteration # 23 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 5.03E-10, avg # of iterations = 1.0 total cpu time spent up to now is 1175.8 secs total energy = -85.22525414 Ry Harris-Foulkes estimate = -85.22525432 Ry estimated scf accuracy < 0.00000074 Ry iteration # 24 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 5.03E-10, avg # of iterations = 3.0 total cpu time spent up to now is 1235.5 secs total energy = -85.22525414 Ry Harris-Foulkes estimate = -85.22525419 Ry estimated scf accuracy < 0.00000017 Ry iteration # 25 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 5.03E-10, avg # of iterations = 1.0 total cpu time spent up to now is 1276.9 secs total energy = -85.22525411 Ry Harris-Foulkes estimate = -85.22525414 Ry estimated scf accuracy < 0.00000005 Ry iteration # 26 ecut= 103.00 Ry beta=0.70 Davidson diagonalization with overlap ethr = 3.04E-10, avg # of iterations = 3.0 total cpu time spent up to now is 1336.4 secs End of self-consistent calculation k = 0.0000 0.0000 0.0000 ( 3863 PWs) bands (ev): -36.3454 -36.3454 -12.3228 -12.3228 -10.1889 -10.1889 1.5233 1.5233 5.3785 5.3785 5.4006 5.4006 6.1880 6.1880 6.2397 6.2397 6.2596 6.2596 12.8932 12.8932 14.7831 14.7831 20.3274 20.3274 21.8621 21.8661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.1904 ( 3855 PWs) bands (ev): -36.3424 -36.3424 -12.2156 -12.2156 -10.1397 -10.1397 1.6124 1.6124 4.7949 4.7949 5.2970 5.2970 5.7863 5.7863 6.1752 6.1752 6.3353 6.3353 13.3223 13.3223 15.2202 15.2202 20.2427 20.2427 21.3355 21.3355 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.3808 ( 3863 PWs) bands (ev): -36.3344 -36.3344 -11.9073 -11.9073 -10.0124 -10.0124 1.8574 1.8574 3.6476 3.6476 4.7806 4.7806 5.0634 5.0634 5.9854 5.9854 6.3119 6.3119 14.2785 14.2785 16.2151 16.2151 19.9163 19.9163 20.4061 20.4061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.5712 ( 3838 PWs) bands (ev): -36.3238 -36.3238 -11.4416 -11.4416 -9.8682 -9.8682 2.0832 2.0832 2.4744 2.4744 3.8373 3.8373 4.7843 4.7843 5.7397 5.7397 6.0240 6.0240 15.2621 15.2621 16.9995 16.9995 19.2395 19.2395 19.9315 19.9315 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.7616 ( 3829 PWs) bands (ev): -36.3142 -36.3142 -10.9019 -10.9019 -9.8009 -9.8009 1.3197 1.3197 2.1266 2.1266 3.6382 3.6382 4.5490 4.5490 5.5090 5.5090 5.5269 5.5269 15.8892 15.8892 17.1232 17.1232 18.4870 18.4870 19.5742 19.5742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.0000 0.9520 ( 3809 PWs) bands (ev): -36.3084 -36.3084 -10.4379 -10.4379 -9.8794 -9.8794 0.7402 0.7402 1.8041 1.8041 4.1629 4.1629 4.4172 4.4172 4.8598 4.8598 5.3915 5.3915 15.9965 15.9965 17.3290 17.3290 17.8110 17.8110 19.6825 19.6825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1693-0.0871 ( 3855 PWs) bands (ev): -36.3424 -36.3424 -12.2156 -12.2156 -10.1397 -10.1397 1.6124 1.6124 4.7949 4.7949 5.2970 5.2970 5.7863 5.7863 6.1752 6.1752 6.3353 6.3353 13.3223 13.3223 15.2202 15.2202 20.2427 20.2427 21.3355 21.3355 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1693 0.1033 ( 3861 PWs) bands (ev): -36.3424 -36.3424 -12.2135 -12.2135 -10.1438 -10.1438 1.6304 1.6304 4.7987 4.7987 5.2793 5.2793 5.7739 5.7739 6.1959 6.1959 6.3185 6.3185 13.3334 13.3334 15.2301 15.2301 20.1945 20.1945 21.3198 21.3198 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1693 0.2937 ( 3854 PWs) bands (ev): -36.3369 -36.3369 -12.0036 -12.0036 -10.0589 -10.0589 1.8096 1.8096 4.0460 4.0460 4.7861 4.7861 5.3591 5.3591 6.0014 6.0014 6.3368 6.3368 14.0249 14.0249 15.9706 15.9706 19.9264 19.9264 20.6197 20.6197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1693 0.4841 ( 3853 PWs) bands (ev): -36.3276 -36.3276 -11.6134 -11.6134 -9.9248 -9.9248 2.0730 2.0730 3.0308 3.0308 3.8856 3.8856 4.9933 4.9933 5.6517 5.6517 6.1901 6.1901 15.0417 15.0417 17.0075 17.0075 19.3162 19.3162 19.9215 19.9215 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1693 0.6745 ( 3831 PWs) bands (ev): -36.3175 -36.3175 -11.1050 -11.1050 -9.8176 -9.8176 1.7742 1.7742 2.3849 2.3849 3.3845 3.3845 4.6029 4.6029 5.3200 5.3200 5.8651 5.8651 15.9774 15.9774 17.5600 17.5600 18.5686 18.5686 19.5074 19.5074 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1693 0.8649 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.5884 -10.5884 -9.8257 -9.8257 1.0349 1.0349 2.0119 2.0119 3.6111 3.6111 4.3499 4.3499 5.0579 5.0579 5.4704 5.4704 16.3989 16.3989 17.6442 17.6442 17.9775 17.9775 19.2594 19.2594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1693-1.0391 ( 3826 PWs) bands (ev): -36.3069 -36.3069 -10.3090 -10.3090 -9.9033 -9.9033 0.7558 0.7558 1.8099 1.8099 3.7589 3.7589 4.3571 4.3571 4.8772 4.8772 5.3304 5.3304 16.3583 16.3583 17.4037 17.4037 18.0641 18.0641 19.6223 19.6223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1693-0.8487 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.6144 -10.6144 -9.7924 -9.7924 1.0599 1.0599 1.9337 1.9337 3.5557 3.5557 4.3553 4.3553 5.0457 5.0457 5.6052 5.6052 16.1592 16.1592 17.3036 17.3036 18.5298 18.5298 19.6867 19.6867 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1693-0.6583 ( 3837 PWs) bands (ev): -36.3175 -36.3175 -11.1257 -11.1257 -9.7863 -9.7863 1.8364 1.8364 2.1958 2.1958 3.4017 3.4017 4.5866 4.5866 5.3266 5.3266 6.0168 6.0168 15.6529 15.6529 17.4507 17.4507 19.0975 19.0975 19.7100 19.7100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1693-0.4679 ( 3854 PWs) bands (ev): -36.3276 -36.3276 -11.6266 -11.6266 -9.9021 -9.9021 1.9964 1.9964 3.0028 3.0028 3.9146 3.9146 4.9665 4.9665 5.6697 5.6697 6.3070 6.3070 14.8486 14.8486 16.9857 16.9857 19.6161 19.6161 20.0064 20.0064 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.1693-0.2775 ( 3859 PWs) bands (ev): -36.3369 -36.3369 -12.0105 -12.0105 -10.0460 -10.0460 1.7549 1.7549 4.0506 4.0506 4.7982 4.7982 5.3549 5.3549 6.0012 6.0012 6.3981 6.3981 13.9542 13.9542 15.9529 15.9529 20.0859 20.0859 20.6210 20.6210 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3386-0.1742 ( 3863 PWs) bands (ev): -36.3344 -36.3344 -11.9073 -11.9073 -10.0124 -10.0124 1.8574 1.8574 3.6476 3.6476 4.7806 4.7806 5.0634 5.0634 5.9854 5.9854 6.3119 6.3119 14.2785 14.2785 16.2151 16.2151 19.9163 19.9163 20.4061 20.4061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3386 0.0162 ( 3854 PWs) bands (ev): -36.3369 -36.3369 -12.0036 -12.0036 -10.0589 -10.0589 1.8096 1.8096 4.0460 4.0460 4.7861 4.7861 5.3591 5.3591 6.0014 6.0014 6.3368 6.3368 14.0249 14.0249 15.9706 15.9706 19.9264 19.9264 20.6197 20.6197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3386 0.2066 ( 3856 PWs) bands (ev): -36.3344 -36.3344 -11.9007 -11.9007 -10.0242 -10.0242 1.8816 1.8816 3.6305 3.6305 4.7990 4.7990 5.0023 5.0023 6.0607 6.0607 6.3216 6.3216 14.1829 14.1829 16.2359 16.2359 19.7101 19.7101 20.3690 20.3690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3386 0.3970 ( 3844 PWs) bands (ev): -36.3276 -36.3276 -11.6113 -11.6113 -9.9276 -9.9276 2.0261 2.0261 2.9725 2.9725 3.9718 3.9718 4.9533 4.9533 5.7450 5.7450 6.2454 6.2454 14.7934 14.7934 16.9867 16.9867 19.3610 19.3610 19.8610 19.8610 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3386 0.5874 ( 3839 PWs) bands (ev): -36.3188 -36.3188 -11.1796 -11.1796 -9.8217 -9.8217 1.9958 1.9958 2.4277 2.4277 3.2274 3.2274 4.7956 4.7956 5.1175 5.1175 6.0516 6.0516 15.6976 15.6976 18.0439 18.0439 18.8651 18.8651 19.3523 19.3523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3386 0.7778 ( 3833 PWs) bands (ev): -36.3106 -36.3106 -10.6873 -10.6873 -9.7819 -9.7819 1.4855 1.4855 2.0993 2.0993 3.0447 3.0447 4.3303 4.3303 4.8862 4.8862 5.7177 5.7177 16.5693 16.5693 18.2580 18.2580 18.6521 18.6521 18.8406 18.8406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3386-1.1263 ( 3822 PWs) bands (ev): -36.3058 -36.3058 -10.2735 -10.2735 -9.8573 -9.8573 1.0597 1.0597 1.9751 1.9751 2.9696 2.9696 3.9307 3.9307 5.1217 5.1217 5.3122 5.3122 16.8990 16.8990 17.9108 17.9108 18.6674 18.6674 18.8761 18.8761 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3386-0.9359 ( 3828 PWs) bands (ev): -36.3058 -36.3058 -10.3088 -10.3088 -9.8171 -9.8171 1.0990 1.0990 1.9587 1.9587 2.8913 2.8913 3.9464 3.9464 4.9001 4.9001 5.5682 5.5682 16.6404 16.6404 17.9505 17.9505 18.8735 18.8735 19.4099 19.4099 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3386-0.7454 ( 3821 PWs) bands (ev): -36.3106 -36.3106 -10.7254 -10.7254 -9.7319 -9.7319 1.6104 1.6104 2.0398 2.0398 2.8628 2.8628 4.3383 4.3383 4.7293 4.7293 5.9644 5.9644 16.2015 16.2015 18.2900 18.2900 19.0313 19.0313 19.5527 19.5527 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3386-0.5550 ( 3839 PWs) bands (ev): -36.3188 -36.3188 -11.2061 -11.2061 -9.7817 -9.7817 2.0686 2.0686 2.4203 2.4203 3.0601 3.0601 4.7519 4.7519 5.0537 5.0537 6.2228 6.2228 15.5697 15.5697 18.0805 18.0805 19.0976 19.0976 19.7359 19.7360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.3386-0.3646 ( 3854 PWs) bands (ev): -36.3276 -36.3276 -11.6266 -11.6266 -9.9021 -9.9021 1.9964 1.9964 3.0028 3.0028 3.9146 3.9146 4.9665 4.9665 5.6697 5.6697 6.3070 6.3070 14.8486 14.8486 16.9857 16.9857 19.6161 19.6161 20.0064 20.0064 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5079-0.2614 ( 3838 PWs) bands (ev): -36.3238 -36.3238 -11.4416 -11.4416 -9.8682 -9.8682 2.0832 2.0832 2.4744 2.4744 3.8373 3.8373 4.7843 4.7843 5.7397 5.7397 6.0240 6.0240 15.2621 15.2621 16.9995 16.9995 19.2395 19.2395 19.9315 19.9315 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5079-0.0710 ( 3853 PWs) bands (ev): -36.3276 -36.3276 -11.6134 -11.6134 -9.9248 -9.9248 2.0730 2.0730 3.0308 3.0308 3.8856 3.8856 4.9933 4.9933 5.6517 5.6517 6.1901 6.1901 15.0417 15.0417 17.0075 17.0075 19.3162 19.3162 19.9215 19.9215 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5079 0.1194 ( 3844 PWs) bands (ev): -36.3276 -36.3276 -11.6113 -11.6113 -9.9276 -9.9276 2.0261 2.0261 2.9725 2.9725 3.9718 3.9718 4.9533 4.9533 5.7450 5.7450 6.2454 6.2454 14.7934 14.7934 16.9867 16.9867 19.3610 19.3610 19.8610 19.8610 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5079 0.3098 ( 3833 PWs) bands (ev): -36.3238 -36.3238 -11.4339 -11.4339 -9.8783 -9.8783 1.9617 1.9617 2.3500 2.3500 4.1218 4.1218 4.6713 4.6713 5.8838 5.8838 6.1813 6.1813 14.6915 14.6915 16.9245 16.9245 19.2346 19.2346 19.8935 19.8935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5079 0.5002 ( 3829 PWs) bands (ev): -36.3175 -36.3175 -11.1099 -11.1099 -9.8063 -9.8063 1.8204 1.8204 1.8356 1.8356 3.7889 3.7889 4.5941 4.5941 5.5104 5.5104 6.0767 6.0767 15.0544 15.0544 17.3165 17.3165 18.9259 18.9259 19.7959 19.7959 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5079 0.6906 ( 3834 PWs) bands (ev): -36.3106 -36.3106 -10.6998 -10.6998 -9.7619 -9.7619 1.4884 1.4884 1.7165 1.7165 3.2366 3.2366 4.6435 4.6435 4.7919 4.7919 5.8779 5.8779 15.8248 15.8248 18.1346 18.1346 18.3316 18.3316 19.6696 19.6696 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5079-1.2134 ( 3821 PWs) bands (ev): -36.3054 -36.3054 -10.2942 -10.2942 -9.8008 -9.8008 1.3143 1.3143 1.8047 1.8047 2.6667 2.6667 3.8878 3.8878 5.0231 5.0231 5.5654 5.5654 16.6808 16.6808 17.6815 17.6815 18.6987 18.6987 19.7626 19.7626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5079-1.0230 ( 3824 PWs) bands (ev): -36.3034 -36.3034 -10.0615 -10.0615 -9.8910 -9.8910 1.3393 1.3393 2.0709 2.0709 2.2454 2.2454 3.4193 3.4193 5.1809 5.1809 5.4096 5.4096 16.8424 16.8424 18.0334 18.0334 18.7440 18.7440 19.8263 19.8263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5079-0.8326 ( 3829 PWs) bands (ev): -36.3054 -36.3054 -10.3269 -10.3269 -9.7654 -9.7654 1.5124 1.5124 1.9746 1.9746 2.3867 2.3867 3.7048 3.7048 4.8193 4.8193 5.7506 5.7506 16.6015 16.6015 18.7113 18.7113 18.8006 18.8006 19.7421 19.7421 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5079-0.6422 ( 3821 PWs) bands (ev): -36.3106 -36.3106 -10.7254 -10.7254 -9.7319 -9.7319 1.6104 1.6104 2.0398 2.0398 2.8628 2.8628 4.3383 4.3383 4.7293 4.7293 5.9644 5.9644 16.2015 16.2015 18.2900 18.2900 19.0313 19.0313 19.5527 19.5527 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.5079-0.4518 ( 3837 PWs) bands (ev): -36.3175 -36.3175 -11.1257 -11.1257 -9.7863 -9.7863 1.8364 1.8364 2.1958 2.1958 3.4017 3.4017 4.5866 4.5866 5.3266 5.3266 6.0168 6.0168 15.6529 15.6529 17.4507 17.4507 19.0975 19.0975 19.7100 19.7100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6772-0.3485 ( 3829 PWs) bands (ev): -36.3142 -36.3142 -10.9019 -10.9019 -9.8009 -9.8009 1.3197 1.3197 2.1266 2.1266 3.6382 3.6382 4.5490 4.5490 5.5090 5.5090 5.5269 5.5269 15.8892 15.8892 17.1232 17.1232 18.4870 18.4870 19.5742 19.5742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6772-0.1581 ( 3831 PWs) bands (ev): -36.3175 -36.3175 -11.1050 -11.1050 -9.8176 -9.8176 1.7742 1.7742 2.3849 2.3849 3.3845 3.3845 4.6029 4.6029 5.3200 5.3200 5.8651 5.8651 15.9774 15.9774 17.5600 17.5600 18.5686 18.5686 19.5074 19.5074 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6772 0.0323 ( 3839 PWs) bands (ev): -36.3188 -36.3188 -11.1796 -11.1796 -9.8217 -9.8217 1.9958 1.9958 2.4277 2.4277 3.2274 3.2274 4.7956 4.7956 5.1175 5.1175 6.0516 6.0516 15.6976 15.6976 18.0439 18.0439 18.8651 18.8651 19.3523 19.3523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6772 0.2227 ( 3829 PWs) bands (ev): -36.3175 -36.3175 -11.1099 -11.1099 -9.8063 -9.8063 1.8204 1.8204 1.8356 1.8356 3.7889 3.7889 4.5941 4.5941 5.5104 5.5104 6.0767 6.0767 15.0544 15.0544 17.3165 17.3165 18.9259 18.9259 19.7959 19.7959 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6772 0.4131 ( 3833 PWs) bands (ev): -36.3142 -36.3142 -10.9104 -10.9104 -9.7814 -9.7814 1.2570 1.2570 1.5682 1.5682 4.2375 4.2375 4.3924 4.3924 5.7249 5.7249 5.9821 5.9821 14.6899 14.6899 16.7639 16.7639 18.5648 18.5648 20.0188 20.0188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6772 0.6035 ( 3825 PWs) bands (ev): -36.3098 -36.3098 -10.6266 -10.6266 -9.7676 -9.7676 0.9462 0.9462 1.4094 1.4094 3.8929 3.8929 4.5684 4.5684 5.3614 5.3614 5.8856 5.8856 14.9748 14.9748 17.0198 17.0198 18.0547 18.0547 20.0538 20.0538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6772-1.3005 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3273 -10.3273 -9.7878 -9.7878 0.9294 0.9294 1.5072 1.5072 3.1453 3.1453 4.4672 4.4672 4.9436 4.9436 5.7349 5.7349 15.7886 15.7886 17.4697 17.4697 17.9495 17.9495 20.1728 20.1728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6772-1.1101 ( 3828 PWs) bands (ev): -36.3034 -36.3034 -10.0848 -10.0848 -9.8633 -9.8633 1.1875 1.1875 1.8459 1.8459 2.4031 2.4031 3.6908 3.6908 5.1747 5.1747 5.4943 5.4943 16.8584 16.8584 17.0522 17.0522 18.7709 18.7709 20.1833 20.1833 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6772-0.9197 ( 3824 PWs) bands (ev): -36.3034 -36.3034 -10.0615 -10.0615 -9.8910 -9.8910 1.3393 1.3393 2.0709 2.0709 2.2454 2.2454 3.4193 3.4193 5.1809 5.1809 5.4096 5.4096 16.8424 16.8424 18.0334 18.0334 18.7440 18.7440 19.8263 19.8263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6772-0.7293 ( 3828 PWs) bands (ev): -36.3058 -36.3058 -10.3088 -10.3088 -9.8171 -9.8171 1.0990 1.0990 1.9587 1.9587 2.8913 2.8913 3.9464 3.9464 4.9001 4.9001 5.5682 5.5682 16.6404 16.6404 17.9505 17.9505 18.8735 18.8735 19.4099 19.4099 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.6772-0.5389 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.6144 -10.6144 -9.7924 -9.7924 1.0599 1.0599 1.9337 1.9337 3.5557 3.5557 4.3553 4.3553 5.0457 5.0457 5.6052 5.6052 16.1592 16.1592 17.3036 17.3036 18.5298 18.5298 19.6867 19.6867 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.8465-0.4356 ( 3809 PWs) bands (ev): -36.3084 -36.3084 -10.4379 -10.4379 -9.8794 -9.8794 0.7402 0.7402 1.8041 1.8041 4.1629 4.1629 4.4172 4.4172 4.8598 4.8598 5.3915 5.3915 15.9965 15.9965 17.3290 17.3290 17.8110 17.8110 19.6825 19.6825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.8465-0.2452 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.5884 -10.5884 -9.8257 -9.8257 1.0349 1.0349 2.0119 2.0119 3.6111 3.6111 4.3499 4.3499 5.0579 5.0579 5.4704 5.4704 16.3989 16.3989 17.6442 17.6442 17.9775 17.9775 19.2594 19.2594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.8465-0.0548 ( 3833 PWs) bands (ev): -36.3106 -36.3106 -10.6873 -10.6873 -9.7819 -9.7819 1.4855 1.4855 2.0993 2.0993 3.0447 3.0447 4.3303 4.3303 4.8862 4.8862 5.7177 5.7177 16.5693 16.5693 18.2580 18.2580 18.6521 18.6521 18.8406 18.8406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.8465 0.1356 ( 3834 PWs) bands (ev): -36.3106 -36.3106 -10.6998 -10.6998 -9.7619 -9.7619 1.4884 1.4884 1.7165 1.7165 3.2366 3.2366 4.6435 4.6435 4.7919 4.7919 5.8779 5.8779 15.8248 15.8248 18.1346 18.1346 18.3316 18.3316 19.6696 19.6696 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.8465 0.3260 ( 3825 PWs) bands (ev): -36.3098 -36.3098 -10.6266 -10.6266 -9.7676 -9.7676 0.9462 0.9462 1.4094 1.4094 3.8929 3.8929 4.5684 4.5684 5.3614 5.3614 5.8856 5.8856 14.9748 14.9748 17.0198 17.0198 18.0547 18.0547 20.0538 20.0538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.8465 0.5164 ( 3828 PWs) bands (ev): -36.3084 -36.3084 -10.5035 -10.5035 -9.7874 -9.7874 0.6225 0.6225 1.1881 1.1881 4.2343 4.2343 4.6023 4.6023 5.6325 5.6325 5.7995 5.7995 14.5939 14.5939 16.4382 16.4382 17.8382 17.8382 20.0073 20.0073 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.8465-1.3876 ( 3830 PWs) bands (ev): -36.3069 -36.3069 -10.3908 -10.3908 -9.7963 -9.7963 0.6198 0.6198 1.2241 1.2241 3.8701 3.8701 4.7010 4.7010 5.3248 5.3248 5.7784 5.7784 14.9290 14.9290 16.8331 16.8331 17.6295 17.6295 20.0862 20.0862 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.8465-1.1972 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3273 -10.3273 -9.7878 -9.7878 0.9294 0.9294 1.5072 1.5072 3.1453 3.1453 4.4672 4.4672 4.9436 4.9436 5.7349 5.7349 15.7886 15.7886 17.4697 17.4697 17.9495 17.9495 20.1728 20.1728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.8465-1.0068 ( 3821 PWs) bands (ev): -36.3054 -36.3054 -10.2942 -10.2942 -9.8008 -9.8008 1.3143 1.3143 1.8047 1.8047 2.6667 2.6667 3.8878 3.8878 5.0231 5.0231 5.5654 5.5654 16.6808 16.6808 17.6815 17.6815 18.6987 18.6987 19.7626 19.7626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.8465-0.8164 ( 3822 PWs) bands (ev): -36.3058 -36.3058 -10.2735 -10.2735 -9.8573 -9.8573 1.0597 1.0597 1.9751 1.9751 2.9696 2.9696 3.9307 3.9307 5.1217 5.1217 5.3122 5.3122 16.8990 16.8990 17.9108 17.9108 18.6674 18.6674 18.8761 18.8761 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0000 0.8465-0.6260 ( 3826 PWs) bands (ev): -36.3069 -36.3069 -10.3090 -10.3090 -9.9033 -9.9033 0.7558 0.7558 1.8099 1.8099 3.7589 3.7589 4.3571 4.3571 4.8772 4.8772 5.3304 5.3304 16.3583 16.3583 17.4037 17.4037 18.0641 18.0641 19.6223 19.6223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1428-0.0871 ( 3855 PWs) bands (ev): -36.3424 -36.3424 -12.2156 -12.2156 -10.1397 -10.1397 1.6124 1.6124 4.7949 4.7949 5.2970 5.2970 5.7863 5.7863 6.1752 6.1752 6.3353 6.3353 13.3223 13.3223 15.2202 15.2202 20.2427 20.2427 21.3355 21.3355 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1428 0.1033 ( 3861 PWs) bands (ev): -36.3424 -36.3424 -12.2135 -12.2135 -10.1438 -10.1438 1.6304 1.6304 4.7987 4.7987 5.2793 5.2793 5.7739 5.7739 6.1959 6.1959 6.3185 6.3185 13.3334 13.3334 15.2301 15.2301 20.1945 20.1945 21.3198 21.3198 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1428 0.2937 ( 3854 PWs) bands (ev): -36.3369 -36.3369 -12.0036 -12.0036 -10.0589 -10.0589 1.8096 1.8096 4.0460 4.0460 4.7861 4.7861 5.3591 5.3591 6.0014 6.0014 6.3368 6.3368 14.0249 14.0249 15.9706 15.9706 19.9264 19.9264 20.6197 20.6197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1428 0.4841 ( 3853 PWs) bands (ev): -36.3276 -36.3276 -11.6134 -11.6134 -9.9248 -9.9248 2.0730 2.0730 3.0308 3.0308 3.8856 3.8856 4.9933 4.9933 5.6517 5.6517 6.1901 6.1901 15.0417 15.0417 17.0075 17.0075 19.3162 19.3162 19.9215 19.9215 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1428 0.6745 ( 3831 PWs) bands (ev): -36.3175 -36.3175 -11.1050 -11.1050 -9.8176 -9.8176 1.7742 1.7742 2.3849 2.3849 3.3845 3.3845 4.6029 4.6029 5.3200 5.3200 5.8651 5.8651 15.9774 15.9774 17.5600 17.5600 18.5686 18.5686 19.5074 19.5074 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1428 0.8649 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.5884 -10.5884 -9.8257 -9.8257 1.0349 1.0349 2.0119 2.0119 3.6111 3.6111 4.3499 4.3499 5.0579 5.0579 5.4704 5.4704 16.3989 16.3989 17.6442 17.6442 17.9775 17.9775 19.2594 19.2594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1428-1.0391 ( 3826 PWs) bands (ev): -36.3069 -36.3069 -10.3090 -10.3090 -9.9033 -9.9033 0.7558 0.7558 1.8099 1.8099 3.7589 3.7589 4.3571 4.3571 4.8772 4.8772 5.3304 5.3304 16.3583 16.3583 17.4037 17.4037 18.0641 18.0641 19.6223 19.6223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1428-0.8487 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.6144 -10.6144 -9.7924 -9.7924 1.0599 1.0599 1.9337 1.9337 3.5557 3.5557 4.3553 4.3553 5.0457 5.0457 5.6052 5.6052 16.1592 16.1592 17.3036 17.3036 18.5298 18.5298 19.6867 19.6867 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1428-0.6583 ( 3837 PWs) bands (ev): -36.3175 -36.3175 -11.1257 -11.1257 -9.7863 -9.7863 1.8364 1.8364 2.1958 2.1958 3.4017 3.4017 4.5866 4.5866 5.3266 5.3266 6.0168 6.0168 15.6529 15.6529 17.4507 17.4507 19.0975 19.0975 19.7100 19.7100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1428-0.4679 ( 3854 PWs) bands (ev): -36.3276 -36.3276 -11.6266 -11.6266 -9.9021 -9.9021 1.9964 1.9964 3.0028 3.0028 3.9146 3.9146 4.9665 4.9665 5.6697 5.6697 6.3070 6.3070 14.8486 14.8486 16.9857 16.9857 19.6161 19.6161 20.0065 20.0065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.1428-0.2775 ( 3859 PWs) bands (ev): -36.3369 -36.3369 -12.0105 -12.0105 -10.0460 -10.0460 1.7549 1.7549 4.0506 4.0506 4.7982 4.7982 5.3549 5.3549 6.0012 6.0012 6.3981 6.3981 13.9542 13.9542 15.9529 15.9529 20.0859 20.0859 20.6210 20.6210 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0265-0.1742 ( 3861 PWs) bands (ev): -36.3424 -36.3424 -12.2135 -12.2135 -10.1438 -10.1438 1.6304 1.6304 4.7987 4.7987 5.2793 5.2793 5.7739 5.7739 6.1959 6.1959 6.3185 6.3185 13.3334 13.3334 15.2301 15.2301 20.1945 20.1945 21.3198 21.3198 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0265 0.0162 ( 3860 PWs) bands (ev): -36.3454 -36.3454 -12.3164 -12.3164 -10.2021 -10.2021 1.5865 1.5865 5.3818 5.3818 5.4039 5.4039 6.0926 6.0926 6.2306 6.2306 6.2550 6.2550 12.9689 12.9689 14.8139 14.8139 20.2231 20.2231 21.9097 21.9116 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0265 0.2066 ( 3858 PWs) bands (ev): -36.3424 -36.3424 -12.2047 -12.2047 -10.1613 -10.1613 1.7152 1.7152 4.7776 4.7776 5.3176 5.3176 5.7566 5.7566 6.1490 6.1490 6.2293 6.2293 13.4570 13.4570 15.2603 15.2603 20.0430 20.0430 21.4055 21.4055 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0265 0.3970 ( 3853 PWs) bands (ev): -36.3344 -36.3344 -11.8908 -11.8908 -10.0426 -10.0426 1.9906 1.9906 3.6501 3.6501 4.7422 4.7422 5.0894 5.0894 5.9530 5.9530 6.1660 6.1660 14.5120 14.5120 16.2422 16.2422 19.5438 19.5438 20.3964 20.3964 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0265 0.5874 ( 3837 PWs) bands (ev): -36.3238 -36.3238 -11.4186 -11.4186 -9.9056 -9.9056 2.0939 2.0939 2.6369 2.6369 3.7966 3.7966 4.8042 4.8042 5.7145 5.7145 5.8629 5.8629 15.6037 15.6037 17.0439 17.0439 18.6739 18.6739 19.8237 19.8237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0265 0.7778 ( 3843 PWs) bands (ev): -36.3142 -36.3142 -10.8740 -10.8740 -9.8394 -9.8394 1.2765 1.2765 2.2255 2.2255 3.7331 3.7331 4.5554 4.5554 5.3686 5.3686 5.5118 5.5118 16.1407 16.1407 17.4087 17.4087 17.8766 17.8766 19.2160 19.2160 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0265-1.1263 ( 3815 PWs) bands (ev): -36.3084 -36.3084 -10.4205 -10.4205 -9.8992 -9.8992 0.7194 0.7194 1.7855 1.7855 4.3444 4.3444 4.4078 4.4078 4.7531 4.7531 5.4040 5.4040 16.0259 16.0259 17.1664 17.1664 17.9163 17.9163 19.2709 19.2709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0265-0.9359 ( 3820 PWs) bands (ev): -36.3084 -36.3084 -10.4638 -10.4638 -9.8473 -9.8473 0.7382 0.7382 1.7044 1.7044 4.1222 4.1222 4.3923 4.3923 5.0619 5.0619 5.4234 5.4234 15.8380 15.8380 16.8273 16.8273 18.3665 18.3665 19.7262 19.7262 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0265-0.7454 ( 3817 PWs) bands (ev): -36.3142 -36.3142 -10.9233 -10.9233 -9.7694 -9.7694 1.3400 1.3400 1.9428 1.9428 3.6868 3.6868 4.5136 4.5136 5.5638 5.5638 5.7026 5.7026 15.5193 15.5193 16.9158 16.9158 18.9870 18.9870 19.8559 19.8559 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0265-0.5550 ( 3839 PWs) bands (ev): -36.3239 -36.3239 -11.4531 -11.4531 -9.8486 -9.8486 2.0182 2.0182 2.4036 2.4036 3.8990 3.8990 4.7459 4.7459 5.7880 5.7880 6.1603 6.1603 14.9609 14.9609 16.9501 16.9501 19.5441 19.5441 20.0047 20.0047 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.0265-0.3646 ( 3863 PWs) bands (ev): -36.3344 -36.3344 -11.9109 -11.9109 -10.0056 -10.0056 1.8183 1.8183 3.6459 3.6459 4.7907 4.7907 5.0308 5.0308 6.0257 6.0257 6.3750 6.3750 14.1601 14.1601 16.2107 16.2107 19.9565 19.9565 20.3942 20.3942 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1958-0.2614 ( 3854 PWs) bands (ev): -36.3369 -36.3369 -12.0036 -12.0036 -10.0589 -10.0589 1.8096 1.8096 4.0460 4.0460 4.7861 4.7861 5.3591 5.3591 6.0014 6.0014 6.3368 6.3368 14.0249 14.0249 15.9706 15.9706 19.9264 19.9264 20.6197 20.6197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1958-0.0710 ( 3858 PWs) bands (ev): -36.3424 -36.3424 -12.2047 -12.2047 -10.1613 -10.1613 1.7152 1.7152 4.7776 4.7776 5.3176 5.3176 5.7566 5.7566 6.1490 6.1490 6.2293 6.2293 13.4570 13.4570 15.2603 15.2603 20.0430 20.0430 21.4055 21.4056 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1958 0.1194 ( 3850 PWs) bands (ev): -36.3424 -36.3424 -12.1990 -12.1990 -10.1724 -10.1724 1.7670 1.7670 4.7774 4.7774 5.2694 5.2694 5.7457 5.7457 6.1640 6.1640 6.2107 6.2107 13.4881 13.4881 15.2869 15.2869 19.9230 19.9230 21.3659 21.3659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1958 0.3098 ( 3845 PWs) bands (ev): -36.3369 -36.3369 -11.9849 -11.9849 -10.0939 -10.0939 1.9662 1.9662 4.0234 4.0234 4.7587 4.7587 5.3732 5.3732 5.9947 5.9947 6.1737 6.1737 14.2246 14.2246 16.0126 16.0126 19.5472 19.5472 20.6310 20.6310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1958 0.5002 ( 3843 PWs) bands (ev): -36.3276 -36.3276 -11.5898 -11.5898 -9.9647 -9.9647 2.1823 2.1823 3.0746 3.0746 3.8621 3.8621 5.0193 5.0193 5.6555 5.6555 6.0112 6.0112 15.3125 15.3125 17.0022 17.0022 18.8924 18.8924 19.8268 19.8268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1958 0.6906 ( 3845 PWs) bands (ev): -36.3175 -36.3175 -11.0776 -11.0776 -9.8575 -9.8575 1.7091 1.7091 2.4743 2.4743 3.4986 3.4986 4.6120 4.6120 5.3605 5.3605 5.6997 5.6997 16.2553 16.2553 17.5986 17.5986 18.0859 18.0859 19.2661 19.2661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1958-1.2134 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.5650 -10.5650 -9.8538 -9.8538 0.9906 0.9906 1.9679 1.9679 3.7700 3.7700 4.3787 4.3787 5.1153 5.1153 5.3784 5.3784 16.4448 16.4448 17.3709 17.3709 18.1637 18.1637 18.7751 18.7751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1958-1.0230 ( 3818 PWs) bands (ev): -36.3069 -36.3069 -10.3243 -10.3243 -9.8841 -9.8841 0.7316 0.7316 1.7010 1.7010 3.7957 3.7957 4.4316 4.4316 4.9207 4.9207 5.4015 5.4015 16.1572 16.1572 17.0310 17.0310 18.4431 18.4431 19.3004 19.3004 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1958-0.8326 ( 3822 PWs) bands (ev): -36.3098 -36.3098 -10.6349 -10.6349 -9.7642 -9.7642 1.0563 1.0563 1.7733 1.7733 3.6064 3.6064 4.3718 4.3718 5.0964 5.0964 5.7501 5.7501 15.7783 15.7783 17.1256 17.1256 18.8415 18.8415 19.8582 19.8582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1958-0.6422 ( 3836 PWs) bands (ev): -36.3175 -36.3175 -11.1342 -11.1342 -9.7724 -9.7724 1.8716 1.8716 2.0109 2.0109 3.4891 3.4891 4.5711 4.5711 5.3765 5.3765 6.1231 6.1231 15.3506 15.3506 17.3755 17.3755 19.3179 19.3179 19.9447 19.9451 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.1958-0.4518 ( 3849 PWs) bands (ev): -36.3276 -36.3276 -11.6258 -11.6258 -9.9032 -9.9032 1.9768 1.9768 2.9919 2.9919 3.9358 3.9358 4.9504 4.9504 5.7055 5.7055 6.3308 6.3308 14.7587 14.7587 16.9788 16.9788 19.5932 19.5932 19.9594 19.9594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3651-0.3485 ( 3853 PWs) bands (ev): -36.3276 -36.3276 -11.6134 -11.6134 -9.9248 -9.9248 2.0730 2.0730 3.0308 3.0308 3.8856 3.8856 4.9933 4.9933 5.6517 5.6517 6.1901 6.1901 15.0417 15.0417 17.0075 17.0075 19.3162 19.3162 19.9215 19.9215 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3651-0.1581 ( 3853 PWs) bands (ev): -36.3344 -36.3344 -11.8908 -11.8908 -10.0426 -10.0426 1.9906 1.9906 3.6501 3.6501 4.7422 4.7422 5.0894 5.0894 5.9530 5.9530 6.1660 6.1660 14.5120 14.5120 16.2422 16.2422 19.5438 19.5438 20.3964 20.3964 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3651 0.0323 ( 3845 PWs) bands (ev): -36.3369 -36.3369 -11.9849 -11.9849 -10.0939 -10.0939 1.9662 1.9662 4.0234 4.0234 4.7587 4.7587 5.3732 5.3732 5.9947 5.9947 6.1737 6.1737 14.2246 14.2246 16.0126 16.0126 19.5472 19.5472 20.6310 20.6310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3651 0.2227 ( 3842 PWs) bands (ev): -36.3343 -36.3343 -11.8793 -11.8793 -10.0628 -10.0628 2.0397 2.0397 3.5840 3.5840 4.8314 4.8314 4.9855 4.9855 6.0797 6.0797 6.1499 6.1499 14.3517 14.3517 16.2741 16.2741 19.3433 19.3433 20.3557 20.3557 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3651 0.4131 ( 3829 PWs) bands (ev): -36.3276 -36.3276 -11.5869 -11.5869 -9.9685 -9.9685 2.1402 2.1402 2.9227 2.9227 4.0459 4.0459 4.9787 4.9787 5.7681 5.7681 6.0622 6.0622 14.9616 14.9616 16.9779 16.9779 19.0613 19.0613 19.7720 19.7720 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3651 0.6035 ( 3841 PWs) bands (ev): -36.3187 -36.3187 -11.1528 -11.1528 -9.8612 -9.8612 1.9711 1.9711 2.3682 2.3682 3.4348 3.4348 4.8448 4.8448 5.1623 5.1623 5.8716 5.8716 15.8503 15.8503 17.8605 17.8605 18.8253 18.8253 19.1001 19.1001 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3651-1.3005 ( 3833 PWs) bands (ev): -36.3106 -36.3106 -10.6628 -10.6628 -9.8125 -9.8125 1.4093 1.4093 2.0140 2.0140 3.2544 3.2544 4.3775 4.3775 5.0081 5.0081 5.5700 5.5700 16.5997 16.5997 17.9654 17.9654 18.4111 18.4111 18.8580 18.8580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3651-1.1101 ( 3820 PWs) bands (ev): -36.3058 -36.3058 -10.2681 -10.2681 -9.8616 -9.8616 1.0031 1.0031 1.8577 1.8577 3.0744 3.0744 4.0370 4.0370 5.1975 5.1975 5.2873 5.2873 16.6446 16.6446 17.8541 17.8541 18.2337 18.2337 19.1665 19.1665 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3651-0.9197 ( 3821 PWs) bands (ev): -36.3058 -36.3058 -10.3256 -10.3256 -9.7958 -9.7958 1.0683 1.0683 1.8228 1.8228 2.9496 2.9496 4.0693 4.0693 4.8568 4.8568 5.6800 5.6800 16.3121 16.3121 17.9437 17.9437 18.5783 18.5783 19.7302 19.7302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3651-0.7293 ( 3820 PWs) bands (ev): -36.3106 -36.3106 -10.7286 -10.7286 -9.7265 -9.7265 1.6116 1.6116 1.9067 1.9067 2.9435 2.9435 4.4135 4.4135 4.7171 4.7171 6.0070 6.0070 16.0060 16.0060 18.2428 18.2428 18.9831 18.9831 19.6929 19.6929 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.3651-0.5389 ( 3841 PWs) bands (ev): -36.3188 -36.3188 -11.1991 -11.1991 -9.7924 -9.7924 2.0413 2.0413 2.4345 2.4345 3.0985 3.0985 4.7632 4.7632 5.0723 5.0723 6.1778 6.1778 15.6022 15.6022 18.0815 18.0815 19.0119 19.0119 19.6109 19.6109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5344-0.4356 ( 3831 PWs) bands (ev): -36.3175 -36.3175 -11.1050 -11.1050 -9.8176 -9.8176 1.7742 1.7742 2.3849 2.3849 3.3845 3.3845 4.6029 4.6029 5.3200 5.3200 5.8651 5.8651 15.9774 15.9774 17.5600 17.5600 18.5686 18.5686 19.5074 19.5074 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5344-0.2452 ( 3837 PWs) bands (ev): -36.3238 -36.3238 -11.4186 -11.4186 -9.9056 -9.9056 2.0939 2.0939 2.6369 2.6369 3.7966 3.7966 4.8042 4.8042 5.7145 5.7145 5.8629 5.8629 15.6037 15.6037 17.0439 17.0439 18.6739 18.6739 19.8237 19.8237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5344-0.0548 ( 3843 PWs) bands (ev): -36.3276 -36.3276 -11.5898 -11.5898 -9.9647 -9.9647 2.1823 2.1823 3.0746 3.0746 3.8621 3.8621 5.0193 5.0193 5.6555 5.6555 6.0112 6.0112 15.3125 15.3125 17.0022 17.0022 18.8924 18.8924 19.8268 19.8268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5344 0.1356 ( 3829 PWs) bands (ev): -36.3276 -36.3276 -11.5869 -11.5869 -9.9685 -9.9685 2.1402 2.1402 2.9227 2.9227 4.0459 4.0459 4.9787 4.9787 5.7681 5.7681 6.0622 6.0622 14.9616 14.9616 16.9779 16.9779 19.0613 19.0613 19.7720 19.7720 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5344 0.3260 ( 3832 PWs) bands (ev): -36.3238 -36.3238 -11.4081 -11.4081 -9.9192 -9.9192 2.0413 2.0413 2.2956 2.2956 4.2856 4.2856 4.6557 4.6557 5.9035 5.9035 6.0154 6.0154 14.8013 14.8013 16.9230 16.9230 18.9419 18.9419 19.8163 19.8163 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5344 0.5164 ( 3833 PWs) bands (ev): -36.3175 -36.3175 -11.0832 -11.0832 -9.8448 -9.8448 1.7578 1.7578 1.8632 1.8632 3.9508 3.9508 4.6504 4.6504 5.5397 5.5397 5.9082 5.9082 15.1384 15.1384 17.2988 17.2988 18.6155 18.6155 19.6829 19.6829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5344-1.3876 ( 3831 PWs) bands (ev): -36.3106 -36.3106 -10.6751 -10.6751 -9.7933 -9.7933 1.4095 1.4095 1.7027 1.7027 3.3791 3.3791 4.7139 4.7139 4.8654 4.8654 5.7387 5.7387 15.8758 15.8758 17.9034 17.9034 18.1792 18.1792 19.5842 19.5842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5344-1.1972 ( 3821 PWs) bands (ev): -36.3054 -36.3054 -10.2779 -10.2779 -9.8183 -9.8183 1.2328 1.2328 1.7625 1.7625 2.7729 2.7729 3.9407 3.9407 5.1213 5.1213 5.4876 5.4876 16.6947 16.6947 17.3431 17.3431 18.6612 18.6612 19.7482 19.7482 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5344-1.0068 ( 3824 PWs) bands (ev): -36.3034 -36.3034 -10.0694 -10.0694 -9.8816 -9.8816 1.2809 1.2809 2.0015 2.0015 2.3057 2.3057 3.5002 3.5002 5.1506 5.1506 5.4681 5.4681 16.7496 16.7496 17.8029 17.8029 18.7553 18.7553 19.9002 19.9002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5344-0.8164 ( 3831 PWs) bands (ev): -36.3054 -36.3054 -10.3226 -10.3226 -9.7701 -9.7701 1.4835 1.4835 1.9385 1.9385 2.4348 2.4348 3.7367 3.7367 4.8454 4.8454 5.7245 5.7245 16.6165 16.6165 18.5242 18.5242 18.7847 18.7847 19.7802 19.7820 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.5344-0.6260 ( 3832 PWs) bands (ev): -36.3106 -36.3106 -10.7104 -10.7104 -9.7521 -9.7521 1.5618 1.5618 2.1188 2.1188 2.8913 2.8913 4.3129 4.3129 4.7866 4.7866 5.8600 5.8600 16.4118 16.4118 18.3291 18.3291 18.8656 18.8656 19.1992 19.1992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.7037-0.5227 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.5884 -10.5884 -9.8257 -9.8257 1.0349 1.0349 2.0119 2.0119 3.6111 3.6111 4.3499 4.3499 5.0579 5.0579 5.4704 5.4704 16.3989 16.3989 17.6442 17.6442 17.9775 17.9775 19.2594 19.2594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.7037-0.3323 ( 3843 PWs) bands (ev): -36.3142 -36.3142 -10.8740 -10.8740 -9.8394 -9.8394 1.2765 1.2765 2.2255 2.2255 3.7331 3.7331 4.5554 4.5554 5.3686 5.3686 5.5118 5.5118 16.1407 16.1407 17.4087 17.4087 17.8766 17.8766 19.2160 19.2160 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.7037-0.1419 ( 3845 PWs) bands (ev): -36.3175 -36.3175 -11.0776 -11.0776 -9.8575 -9.8575 1.7091 1.7091 2.4743 2.4743 3.4986 3.4986 4.6120 4.6120 5.3605 5.3605 5.6997 5.6997 16.2553 16.2553 17.5986 17.5986 18.0859 18.0859 19.2661 19.2661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.7037 0.0485 ( 3841 PWs) bands (ev): -36.3187 -36.3187 -11.1528 -11.1528 -9.8612 -9.8612 1.9711 1.9711 2.3682 2.3682 3.4348 3.4348 4.8448 4.8448 5.1623 5.1623 5.8716 5.8716 15.8503 15.8503 17.8605 17.8605 18.8253 18.8253 19.1001 19.1001 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.7037 0.2389 ( 3833 PWs) bands (ev): -36.3175 -36.3175 -11.0832 -11.0832 -9.8448 -9.8448 1.7578 1.7578 1.8632 1.8632 3.9508 3.9508 4.6504 4.6504 5.5397 5.5397 5.9082 5.9082 15.1384 15.1384 17.2988 17.2988 18.6155 18.6155 19.6829 19.6829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.7037 0.4293 ( 3832 PWs) bands (ev): -36.3142 -36.3142 -10.8841 -10.8841 -9.8175 -9.8175 1.2161 1.2161 1.5934 1.5934 4.3824 4.3824 4.4398 4.4398 5.7340 5.7340 5.8349 5.8349 14.7659 14.7659 16.7597 16.7597 18.3040 18.3040 19.7976 19.7976 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.7037-1.4747 ( 3837 PWs) bands (ev): -36.3098 -36.3098 -10.6029 -10.6029 -9.7975 -9.7975 0.9133 0.9133 1.4297 1.4297 3.9451 3.9451 4.6677 4.6677 5.3755 5.3755 5.7551 5.7551 15.0531 15.0531 17.0105 17.0105 17.8608 17.8608 19.8529 19.8529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.7037-1.2843 ( 3830 PWs) bands (ev): -36.3058 -36.3058 -10.3114 -10.3114 -9.8063 -9.8063 0.9085 0.9085 1.5230 1.5230 3.1779 3.1779 4.4542 4.4542 5.0019 5.0019 5.6668 5.6668 15.8516 15.8516 17.3819 17.3819 17.9367 17.9367 20.0448 20.0448 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.7037-1.0939 ( 3825 PWs) bands (ev): -36.3034 -36.3034 -10.0828 -10.0828 -9.8657 -9.8657 1.1979 1.1979 1.8684 1.8684 2.3911 2.3911 3.6639 3.6639 5.1650 5.1650 5.4980 5.4980 16.7771 16.7771 17.2146 17.2146 18.7693 18.7693 20.1157 20.1157 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.7037-0.9035 ( 3815 PWs) bands (ev): -36.3034 -36.3034 -10.0564 -10.0564 -9.8969 -9.8969 1.3807 1.3807 2.1279 2.1279 2.1857 2.1857 3.3739 3.3739 5.2373 5.2373 5.3346 5.3346 16.9335 16.9335 18.1315 18.1315 18.7373 18.7373 19.7884 19.7884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909 0.7037-0.7131 ( 3818 PWs) bands (ev): -36.3058 -36.3058 -10.2893 -10.2893 -9.8401 -9.8401 1.0967 1.0967 2.0207 2.0207 2.8921 2.8921 3.8971 3.8971 4.9908 4.9908 5.4372 5.4372 16.8924 16.8924 17.9603 17.9603 18.8344 18.8344 19.0711 19.0711 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.9893 0.3485 ( 3826 PWs) bands (ev): -36.3069 -36.3069 -10.3090 -10.3090 -9.9033 -9.9033 0.7558 0.7558 1.8099 1.8099 3.7589 3.7589 4.3571 4.3571 4.8772 4.8772 5.3304 5.3304 16.3583 16.3583 17.4037 17.4037 18.0641 18.0641 19.6223 19.6223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.9893 0.5389 ( 3815 PWs) bands (ev): -36.3084 -36.3084 -10.4205 -10.4205 -9.8992 -9.8992 0.7194 0.7194 1.7855 1.7855 4.3444 4.3444 4.4078 4.4078 4.7531 4.7531 5.4040 5.4040 16.0259 16.0259 17.1664 17.1664 17.9163 17.9163 19.2709 19.2709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.9893 0.7293 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.5650 -10.5650 -9.8538 -9.8538 0.9906 0.9906 1.9679 1.9679 3.7700 3.7700 4.3787 4.3787 5.1153 5.1153 5.3784 5.3784 16.4448 16.4448 17.3709 17.3709 18.1637 18.1637 18.7751 18.7751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.9893 0.9197 ( 3833 PWs) bands (ev): -36.3106 -36.3106 -10.6628 -10.6628 -9.8125 -9.8125 1.4093 1.4093 2.0140 2.0140 3.2544 3.2544 4.3775 4.3775 5.0081 5.0081 5.5700 5.5700 16.5997 16.5997 17.9654 17.9654 18.4111 18.4111 18.8580 18.8580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.9893 1.1101 ( 3831 PWs) bands (ev): -36.3106 -36.3106 -10.6751 -10.6751 -9.7933 -9.7933 1.4095 1.4095 1.7027 1.7027 3.3791 3.3791 4.7139 4.7139 4.8654 4.8654 5.7387 5.7387 15.8758 15.8758 17.9034 17.9034 18.1792 18.1792 19.5842 19.5842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.9893 1.3005 ( 3837 PWs) bands (ev): -36.3098 -36.3098 -10.6029 -10.6029 -9.7975 -9.7975 0.9133 0.9133 1.4297 1.4297 3.9451 3.9451 4.6677 4.6677 5.3755 5.3755 5.7551 5.7551 15.0531 15.0531 17.0105 17.0105 17.8608 17.8608 19.8529 19.8529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.9893-0.6035 ( 3828 PWs) bands (ev): -36.3084 -36.3084 -10.4852 -10.4852 -9.8103 -9.8103 0.6126 0.6126 1.2215 1.2215 4.2399 4.2399 4.6795 4.6795 5.6233 5.6233 5.6822 5.6822 14.6970 14.6970 16.4319 16.4319 17.7867 17.7867 19.8530 19.8530 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.9893-0.4131 ( 3823 PWs) bands (ev): -36.3069 -36.3069 -10.3852 -10.3852 -9.8039 -9.8039 0.6290 0.6290 1.2645 1.2645 3.8690 3.8690 4.6778 4.6778 5.2848 5.2848 5.7392 5.7392 15.0332 15.0332 16.8411 16.8411 17.7121 17.7121 20.0012 20.0012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.9893-0.2227 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3359 -10.3359 -9.7791 -9.7791 0.9695 0.9695 1.5609 1.5609 3.0926 3.0926 4.3819 4.3819 4.8909 4.8909 5.7668 5.7668 15.8481 15.8481 17.7414 17.7414 17.9530 17.9530 20.1444 20.1444 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.9893-0.0323 ( 3822 PWs) bands (ev): -36.3054 -36.3054 -10.3107 -10.3107 -9.7830 -9.7830 1.4081 1.4081 1.8677 1.8677 2.5435 2.5435 3.8111 3.8111 4.9193 4.9193 5.6550 5.6550 16.6505 16.6505 18.1131 18.1131 18.7446 18.7446 19.7776 19.7781 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.9893 0.1581 ( 3818 PWs) bands (ev): -36.3058 -36.3058 -10.2893 -10.2893 -9.8401 -9.8401 1.0967 1.0967 2.0207 2.0207 2.8921 2.8921 3.8971 3.8971 4.9908 4.9908 5.4372 5.4372 16.8924 16.8924 17.9603 17.9603 18.8344 18.8344 19.0711 19.0711 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8200 0.2614 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.6144 -10.6144 -9.7924 -9.7924 1.0599 1.0599 1.9337 1.9337 3.5557 3.5557 4.3553 4.3553 5.0457 5.0457 5.6052 5.6052 16.1592 16.1592 17.3036 17.3036 18.5298 18.5298 19.6867 19.6867 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8200 0.4518 ( 3820 PWs) bands (ev): -36.3084 -36.3084 -10.4638 -10.4638 -9.8473 -9.8473 0.7382 0.7382 1.7044 1.7044 4.1222 4.1222 4.3923 4.3923 5.0619 5.0619 5.4234 5.4234 15.8380 15.8380 16.8273 16.8273 18.3665 18.3665 19.7262 19.7262 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8200 0.6422 ( 3818 PWs) bands (ev): -36.3069 -36.3069 -10.3243 -10.3243 -9.8841 -9.8841 0.7316 0.7316 1.7010 1.7010 3.7957 3.7957 4.4316 4.4316 4.9207 4.9207 5.4015 5.4015 16.1572 16.1572 17.0310 17.0310 18.4431 18.4431 19.3004 19.3004 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8200 0.8326 ( 3820 PWs) bands (ev): -36.3058 -36.3058 -10.2681 -10.2681 -9.8616 -9.8616 1.0031 1.0031 1.8577 1.8577 3.0744 3.0744 4.0370 4.0370 5.1975 5.1975 5.2873 5.2873 16.6446 16.6446 17.8541 17.8541 18.2337 18.2337 19.1665 19.1665 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8200 1.0230 ( 3821 PWs) bands (ev): -36.3054 -36.3054 -10.2779 -10.2779 -9.8183 -9.8183 1.2328 1.2328 1.7625 1.7625 2.7729 2.7729 3.9407 3.9407 5.1213 5.1213 5.4876 5.4876 16.6947 16.6947 17.3431 17.3431 18.6612 18.6612 19.7482 19.7482 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8200 1.2134 ( 3830 PWs) bands (ev): -36.3058 -36.3058 -10.3114 -10.3114 -9.8063 -9.8063 0.9085 0.9085 1.5230 1.5230 3.1779 3.1779 4.4542 4.4542 5.0019 5.0019 5.6668 5.6668 15.8516 15.8516 17.3819 17.3819 17.9367 17.9367 20.0448 20.0448 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8200-0.6906 ( 3823 PWs) bands (ev): -36.3069 -36.3069 -10.3852 -10.3852 -9.8039 -9.8039 0.6290 0.6290 1.2645 1.2645 3.8690 3.8690 4.6778 4.6778 5.2848 5.2848 5.7392 5.7392 15.0332 15.0332 16.8411 16.8411 17.7121 17.7121 20.0012 20.0012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8200-0.5002 ( 3825 PWs) bands (ev): -36.3084 -36.3084 -10.5107 -10.5107 -9.7801 -9.7801 0.6470 0.6470 1.2392 1.2392 4.2530 4.2530 4.4777 4.4777 5.6063 5.6063 5.7570 5.7570 14.7241 14.7241 16.4532 16.4532 18.0429 18.0429 19.9999 19.9999 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8200-0.3098 ( 3820 PWs) bands (ev): -36.3098 -36.3098 -10.6417 -10.6417 -9.7498 -9.7498 0.9876 0.9876 1.4706 1.4706 3.8153 3.8153 4.4686 4.4686 5.2921 5.2921 5.9237 5.9237 15.0952 15.0952 17.0322 17.0322 18.3697 18.3697 20.1043 20.1043 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8200-0.1194 ( 3843 PWs) bands (ev): -36.3107 -36.3107 -10.7193 -10.7193 -9.7374 -9.7374 1.5655 1.5655 1.7864 1.7864 3.0813 3.0813 4.5250 4.5250 4.7427 4.7427 5.9760 5.9760 15.8717 15.8717 18.1976 18.1976 18.6973 18.6973 19.7242 19.7243 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.8200 0.0710 ( 3832 PWs) bands (ev): -36.3106 -36.3106 -10.7104 -10.7104 -9.7521 -9.7521 1.5618 1.5618 2.1188 2.1188 2.8913 2.8913 4.3129 4.3129 4.7866 4.7866 5.8600 5.8600 16.4118 16.4118 18.3291 18.3291 18.8656 18.8656 19.1992 19.1992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6507 0.1742 ( 3837 PWs) bands (ev): -36.3175 -36.3175 -11.1257 -11.1257 -9.7863 -9.7863 1.8364 1.8364 2.1958 2.1958 3.4017 3.4017 4.5866 4.5866 5.3266 5.3266 6.0168 6.0168 15.6529 15.6529 17.4507 17.4507 19.0975 19.0975 19.7100 19.7100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6507 0.3646 ( 3817 PWs) bands (ev): -36.3142 -36.3142 -10.9233 -10.9233 -9.7694 -9.7694 1.3400 1.3400 1.9428 1.9428 3.6868 3.6868 4.5136 4.5136 5.5638 5.5638 5.7026 5.7026 15.5193 15.5193 16.9158 16.9158 18.9870 18.9870 19.8559 19.8560 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6507 0.5550 ( 3822 PWs) bands (ev): -36.3098 -36.3098 -10.6349 -10.6349 -9.7642 -9.7642 1.0563 1.0563 1.7733 1.7733 3.6064 3.6064 4.3718 4.3718 5.0964 5.0964 5.7501 5.7501 15.7783 15.7783 17.1256 17.1256 18.8415 18.8415 19.8582 19.8582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6507 0.7454 ( 3821 PWs) bands (ev): -36.3058 -36.3058 -10.3256 -10.3256 -9.7958 -9.7958 1.0683 1.0683 1.8228 1.8228 2.9496 2.9496 4.0693 4.0693 4.8568 4.8568 5.6800 5.6800 16.3121 16.3121 17.9437 17.9437 18.5783 18.5783 19.7302 19.7302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6507 0.9359 ( 3824 PWs) bands (ev): -36.3034 -36.3034 -10.0694 -10.0694 -9.8816 -9.8816 1.2809 1.2809 2.0015 2.0015 2.3057 2.3057 3.5002 3.5002 5.1506 5.1506 5.4681 5.4681 16.7496 16.7496 17.8029 17.8029 18.7553 18.7553 19.9002 19.9002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6507 1.1263 ( 3825 PWs) bands (ev): -36.3034 -36.3034 -10.0828 -10.0828 -9.8657 -9.8657 1.1979 1.1979 1.8684 1.8684 2.3911 2.3911 3.6639 3.6639 5.1650 5.1650 5.4980 5.4980 16.7771 16.7771 17.2146 17.2146 18.7693 18.7693 20.1157 20.1157 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6507-0.7778 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3359 -10.3359 -9.7791 -9.7791 0.9695 0.9695 1.5609 1.5609 3.0926 3.0926 4.3819 4.3819 4.8909 4.8909 5.7668 5.7668 15.8481 15.8481 17.7414 17.7414 17.9530 17.9530 20.1444 20.1444 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6507-0.5874 ( 3820 PWs) bands (ev): -36.3098 -36.3098 -10.6417 -10.6417 -9.7498 -9.7498 0.9876 0.9876 1.4706 1.4706 3.8153 3.8153 4.4686 4.4686 5.2921 5.2921 5.9237 5.9237 15.0952 15.0952 17.0322 17.0322 18.3697 18.3697 20.1043 20.1043 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6507-0.3970 ( 3824 PWs) bands (ev): -36.3142 -36.3142 -10.9281 -10.9281 -9.7581 -9.7581 1.2973 1.2973 1.6281 1.6281 4.0217 4.0217 4.4209 4.4209 5.6858 5.6858 5.9912 5.9912 14.8236 14.8236 16.7759 16.7759 18.8688 18.8688 20.1150 20.1150 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6507-0.2066 ( 3831 PWs) bands (ev): -36.3175 -36.3175 -11.1284 -11.1284 -9.7797 -9.7797 1.8642 1.8642 1.8855 1.8855 3.6241 3.6241 4.5694 4.5694 5.4472 5.4472 6.1507 6.1507 15.1342 15.1342 17.3353 17.3353 19.1943 19.1943 19.8987 19.8987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.6507-0.0162 ( 3841 PWs) bands (ev): -36.3188 -36.3188 -11.1991 -11.1991 -9.7924 -9.7924 2.0413 2.0413 2.4345 2.4345 3.0985 3.0985 4.7632 4.7632 5.0723 5.0723 6.1778 6.1778 15.6022 15.6022 18.0815 18.0815 19.0119 19.0119 19.6109 19.6109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4814 0.0871 ( 3854 PWs) bands (ev): -36.3276 -36.3276 -11.6266 -11.6266 -9.9021 -9.9021 1.9964 1.9964 3.0028 3.0028 3.9146 3.9146 4.9665 4.9665 5.6697 5.6697 6.3070 6.3070 14.8486 14.8486 16.9857 16.9857 19.6161 19.6161 20.0064 20.0064 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4814 0.2775 ( 3839 PWs) bands (ev): -36.3239 -36.3239 -11.4531 -11.4531 -9.8486 -9.8486 2.0182 2.0182 2.4036 2.4036 3.8990 3.8990 4.7459 4.7459 5.7880 5.7880 6.1603 6.1603 14.9609 14.9609 16.9501 16.9501 19.5441 19.5441 20.0047 20.0047 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4814 0.4679 ( 3836 PWs) bands (ev): -36.3175 -36.3175 -11.1342 -11.1342 -9.7724 -9.7724 1.8716 1.8716 2.0109 2.0109 3.4891 3.4891 4.5711 4.5711 5.3765 5.3765 6.1231 6.1231 15.3506 15.3506 17.3755 17.3755 19.3179 19.3179 19.9368 19.9448 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4814 0.6583 ( 3820 PWs) bands (ev): -36.3106 -36.3106 -10.7286 -10.7286 -9.7265 -9.7265 1.6116 1.6116 1.9067 1.9067 2.9435 2.9435 4.4135 4.4135 4.7171 4.7171 6.0070 6.0070 16.0060 16.0060 18.2428 18.2428 18.9831 18.9831 19.6929 19.6929 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4814 0.8487 ( 3831 PWs) bands (ev): -36.3054 -36.3054 -10.3226 -10.3226 -9.7701 -9.7701 1.4835 1.4835 1.9385 1.9385 2.4348 2.4348 3.7367 3.7367 4.8454 4.8454 5.7245 5.7245 16.6165 16.6165 18.5242 18.5242 18.7847 18.7847 19.7750 19.7750 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4814 1.0391 ( 3815 PWs) bands (ev): -36.3034 -36.3034 -10.0564 -10.0564 -9.8969 -9.8969 1.3807 1.3807 2.1279 2.1279 2.1857 2.1857 3.3739 3.3739 5.2373 5.2373 5.3346 5.3346 16.9335 16.9335 18.1315 18.1315 18.7373 18.7373 19.7884 19.7884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4814-0.8649 ( 3822 PWs) bands (ev): -36.3054 -36.3054 -10.3107 -10.3107 -9.7830 -9.7830 1.4081 1.4081 1.8677 1.8677 2.5435 2.5435 3.8111 3.8111 4.9193 4.9193 5.6550 5.6550 16.6505 16.6505 18.1131 18.1131 18.7446 18.7446 19.7776 19.7776 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4814-0.6745 ( 3843 PWs) bands (ev): -36.3107 -36.3107 -10.7193 -10.7193 -9.7374 -9.7374 1.5655 1.5655 1.7864 1.7864 3.0813 3.0813 4.5250 4.5250 4.7427 4.7427 5.9760 5.9760 15.8717 15.8717 18.1976 18.1976 18.6973 18.6973 19.7242 19.7243 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4814-0.4841 ( 3831 PWs) bands (ev): -36.3175 -36.3175 -11.1284 -11.1284 -9.7797 -9.7797 1.8642 1.8642 1.8855 1.8855 3.6241 3.6241 4.5694 4.5694 5.4472 5.4472 6.1507 6.1507 15.1342 15.1342 17.3353 17.3353 19.1943 19.1943 19.8987 19.8987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4814-0.2937 ( 3839 PWs) bands (ev): -36.3238 -36.3238 -11.4503 -11.4503 -9.8523 -9.8523 1.9580 1.9580 2.3824 2.3824 3.9891 3.9891 4.7040 4.7040 5.8415 5.8415 6.2261 6.2261 14.7541 14.7541 16.9263 16.9263 19.4568 19.4568 19.9796 19.9796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.4814-0.1033 ( 3849 PWs) bands (ev): -36.3276 -36.3276 -11.6258 -11.6258 -9.9032 -9.9032 1.9768 1.9768 2.9919 2.9919 3.9358 3.9358 4.9504 4.9504 5.7055 5.7055 6.3308 6.3308 14.7587 14.7587 16.9788 16.9788 19.5932 19.5932 19.9594 19.9594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3121 0.0000 ( 3859 PWs) bands (ev): -36.3369 -36.3369 -12.0105 -12.0105 -10.0460 -10.0460 1.7549 1.7549 4.0506 4.0506 4.7982 4.7982 5.3549 5.3549 6.0012 6.0012 6.3981 6.3981 13.9542 13.9542 15.9529 15.9529 20.0859 20.0859 20.6210 20.6210 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3121 0.1904 ( 3863 PWs) bands (ev): -36.3344 -36.3344 -11.9109 -11.9109 -10.0056 -10.0056 1.8183 1.8183 3.6459 3.6459 4.7907 4.7907 5.0308 5.0308 6.0257 6.0257 6.3750 6.3750 14.1601 14.1601 16.2107 16.2107 19.9565 19.9565 20.3942 20.3942 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3121 0.3808 ( 3849 PWs) bands (ev): -36.3276 -36.3276 -11.6258 -11.6258 -9.9032 -9.9032 1.9768 1.9768 2.9919 2.9919 3.9358 3.9358 4.9504 4.9504 5.7055 5.7055 6.3308 6.3308 14.7587 14.7587 16.9788 16.9788 19.5932 19.5932 19.9594 19.9594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3121 0.5712 ( 3841 PWs) bands (ev): -36.3188 -36.3188 -11.1991 -11.1991 -9.7924 -9.7924 2.0413 2.0413 2.4345 2.4345 3.0985 3.0985 4.7632 4.7632 5.0723 5.0723 6.1778 6.1778 15.6022 15.6022 18.0815 18.0815 19.0119 19.0119 19.6109 19.6109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3121 0.7616 ( 3832 PWs) bands (ev): -36.3106 -36.3106 -10.7104 -10.7104 -9.7521 -9.7521 1.5618 1.5618 2.1188 2.1188 2.8913 2.8913 4.3129 4.3129 4.7866 4.7866 5.8600 5.8600 16.4118 16.4118 18.3291 18.3291 18.8656 18.8656 19.1992 19.1992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3121 0.9520 ( 3818 PWs) bands (ev): -36.3058 -36.3058 -10.2893 -10.2893 -9.8401 -9.8401 1.0967 1.0967 2.0207 2.0207 2.8921 2.8921 3.8971 3.8971 4.9908 4.9908 5.4372 5.4372 16.8924 16.8924 17.9603 17.9603 18.8344 18.8344 19.0711 19.0711 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3121-0.9520 ( 3818 PWs) bands (ev): -36.3058 -36.3058 -10.2893 -10.2893 -9.8401 -9.8401 1.0967 1.0967 2.0207 2.0207 2.8921 2.8921 3.8971 3.8971 4.9908 4.9908 5.4372 5.4372 16.8924 16.8924 17.9603 17.9603 18.8344 18.8344 19.0711 19.0711 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3121-0.7616 ( 3832 PWs) bands (ev): -36.3106 -36.3106 -10.7104 -10.7104 -9.7521 -9.7521 1.5618 1.5618 2.1188 2.1188 2.8913 2.8913 4.3129 4.3129 4.7866 4.7866 5.8600 5.8600 16.4118 16.4118 18.3291 18.3291 18.8656 18.8656 19.1992 19.1992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3121-0.5712 ( 3841 PWs) bands (ev): -36.3188 -36.3188 -11.1991 -11.1991 -9.7924 -9.7924 2.0413 2.0413 2.4345 2.4345 3.0985 3.0985 4.7632 4.7632 5.0723 5.0723 6.1778 6.1778 15.6022 15.6022 18.0815 18.0815 19.0119 19.0119 19.6109 19.6109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3121-0.3808 ( 3849 PWs) bands (ev): -36.3276 -36.3276 -11.6258 -11.6258 -9.9032 -9.9032 1.9768 1.9768 2.9919 2.9919 3.9358 3.9358 4.9504 4.9504 5.7055 5.7055 6.3308 6.3308 14.7587 14.7587 16.9788 16.9788 19.5932 19.5932 19.9594 19.9594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.0909-0.3121-0.1904 ( 3863 PWs) bands (ev): -36.3344 -36.3344 -11.9109 -11.9109 -10.0056 -10.0056 1.8183 1.8183 3.6459 3.6459 4.7907 4.7907 5.0308 5.0308 6.0257 6.0257 6.3750 6.3750 14.1601 14.1601 16.2107 16.2107 19.9565 19.9565 20.3942 20.3942 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2856-0.1742 ( 3863 PWs) bands (ev): -36.3344 -36.3344 -11.9073 -11.9073 -10.0124 -10.0124 1.8574 1.8574 3.6476 3.6476 4.7806 4.7806 5.0634 5.0634 5.9854 5.9854 6.3119 6.3119 14.2785 14.2785 16.2151 16.2151 19.9163 19.9163 20.4061 20.4061 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2856 0.0162 ( 3854 PWs) bands (ev): -36.3369 -36.3369 -12.0036 -12.0036 -10.0589 -10.0589 1.8096 1.8096 4.0460 4.0460 4.7861 4.7861 5.3591 5.3591 6.0014 6.0014 6.3368 6.3368 14.0249 14.0249 15.9706 15.9706 19.9264 19.9264 20.6197 20.6197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2856 0.2066 ( 3856 PWs) bands (ev): -36.3344 -36.3344 -11.9007 -11.9007 -10.0242 -10.0242 1.8816 1.8816 3.6305 3.6305 4.7990 4.7990 5.0023 5.0023 6.0607 6.0607 6.3216 6.3216 14.1829 14.1829 16.2359 16.2359 19.7101 19.7101 20.3690 20.3690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2856 0.3970 ( 3844 PWs) bands (ev): -36.3276 -36.3276 -11.6113 -11.6113 -9.9276 -9.9276 2.0261 2.0261 2.9725 2.9725 3.9718 3.9718 4.9533 4.9533 5.7450 5.7450 6.2454 6.2454 14.7934 14.7934 16.9867 16.9867 19.3610 19.3610 19.8610 19.8610 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2856 0.5874 ( 3839 PWs) bands (ev): -36.3188 -36.3188 -11.1796 -11.1796 -9.8217 -9.8217 1.9958 1.9958 2.4277 2.4277 3.2274 3.2274 4.7956 4.7956 5.1175 5.1175 6.0516 6.0516 15.6976 15.6976 18.0439 18.0439 18.8651 18.8651 19.3523 19.3523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2856 0.7778 ( 3833 PWs) bands (ev): -36.3106 -36.3106 -10.6873 -10.6873 -9.7819 -9.7819 1.4855 1.4855 2.0993 2.0993 3.0447 3.0447 4.3303 4.3303 4.8862 4.8862 5.7177 5.7177 16.5693 16.5693 18.2580 18.2580 18.6521 18.6521 18.8406 18.8406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2856-1.1263 ( 3822 PWs) bands (ev): -36.3058 -36.3058 -10.2735 -10.2735 -9.8573 -9.8573 1.0597 1.0597 1.9751 1.9751 2.9696 2.9696 3.9307 3.9307 5.1217 5.1217 5.3122 5.3122 16.8990 16.8990 17.9108 17.9108 18.6674 18.6674 18.8761 18.8761 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2856-0.9359 ( 3828 PWs) bands (ev): -36.3058 -36.3058 -10.3088 -10.3088 -9.8171 -9.8171 1.0990 1.0990 1.9587 1.9587 2.8913 2.8913 3.9464 3.9464 4.9001 4.9001 5.5682 5.5682 16.6404 16.6404 17.9505 17.9505 18.8735 18.8735 19.4099 19.4099 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2856-0.7454 ( 3821 PWs) bands (ev): -36.3106 -36.3106 -10.7254 -10.7254 -9.7319 -9.7319 1.6104 1.6104 2.0398 2.0398 2.8628 2.8628 4.3383 4.3383 4.7293 4.7293 5.9644 5.9644 16.2015 16.2015 18.2900 18.2900 19.0313 19.0313 19.5527 19.5527 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2856-0.5550 ( 3839 PWs) bands (ev): -36.3188 -36.3188 -11.2061 -11.2061 -9.7817 -9.7817 2.0686 2.0686 2.4203 2.4203 3.0601 3.0601 4.7519 4.7519 5.0537 5.0537 6.2228 6.2228 15.5697 15.5697 18.0805 18.0805 19.0976 19.0976 19.7359 19.7360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.2856-0.3646 ( 3854 PWs) bands (ev): -36.3276 -36.3276 -11.6266 -11.6266 -9.9021 -9.9021 1.9964 1.9964 3.0028 3.0028 3.9146 3.9146 4.9665 4.9665 5.6697 5.6697 6.3070 6.3070 14.8486 14.8486 16.9857 16.9857 19.6161 19.6161 20.0064 20.0064 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1163-0.2614 ( 3854 PWs) bands (ev): -36.3369 -36.3369 -12.0036 -12.0036 -10.0589 -10.0589 1.8096 1.8096 4.0460 4.0460 4.7861 4.7861 5.3591 5.3591 6.0014 6.0014 6.3368 6.3368 14.0249 14.0249 15.9706 15.9706 19.9264 19.9264 20.6197 20.6197 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1163-0.0710 ( 3858 PWs) bands (ev): -36.3424 -36.3424 -12.2047 -12.2047 -10.1613 -10.1613 1.7152 1.7152 4.7776 4.7776 5.3176 5.3176 5.7566 5.7566 6.1490 6.1490 6.2293 6.2293 13.4570 13.4570 15.2603 15.2603 20.0430 20.0430 21.4055 21.4055 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1163 0.1194 ( 3850 PWs) bands (ev): -36.3424 -36.3424 -12.1990 -12.1990 -10.1724 -10.1724 1.7670 1.7670 4.7774 4.7774 5.2694 5.2694 5.7457 5.7457 6.1640 6.1640 6.2107 6.2107 13.4881 13.4881 15.2869 15.2869 19.9230 19.9230 21.3659 21.3659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1163 0.3098 ( 3845 PWs) bands (ev): -36.3369 -36.3369 -11.9849 -11.9849 -10.0939 -10.0939 1.9662 1.9662 4.0234 4.0234 4.7587 4.7587 5.3732 5.3732 5.9947 5.9947 6.1737 6.1737 14.2246 14.2246 16.0126 16.0126 19.5472 19.5472 20.6310 20.6310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1163 0.5002 ( 3843 PWs) bands (ev): -36.3276 -36.3276 -11.5898 -11.5898 -9.9647 -9.9647 2.1823 2.1823 3.0746 3.0746 3.8621 3.8621 5.0193 5.0193 5.6555 5.6555 6.0112 6.0112 15.3125 15.3125 17.0022 17.0022 18.8924 18.8924 19.8268 19.8268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1163 0.6906 ( 3845 PWs) bands (ev): -36.3175 -36.3175 -11.0776 -11.0776 -9.8575 -9.8575 1.7091 1.7091 2.4743 2.4743 3.4986 3.4986 4.6120 4.6120 5.3605 5.3605 5.6997 5.6997 16.2553 16.2553 17.5986 17.5986 18.0859 18.0859 19.2661 19.2661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1163-1.2134 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.5650 -10.5650 -9.8538 -9.8538 0.9906 0.9906 1.9679 1.9679 3.7700 3.7700 4.3787 4.3787 5.1153 5.1153 5.3784 5.3784 16.4448 16.4448 17.3709 17.3709 18.1637 18.1637 18.7751 18.7751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1163-1.0230 ( 3818 PWs) bands (ev): -36.3069 -36.3069 -10.3243 -10.3243 -9.8841 -9.8841 0.7316 0.7316 1.7010 1.7010 3.7957 3.7957 4.4316 4.4316 4.9207 4.9207 5.4015 5.4015 16.1572 16.1572 17.0310 17.0310 18.4431 18.4431 19.3004 19.3004 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1163-0.8326 ( 3822 PWs) bands (ev): -36.3098 -36.3098 -10.6349 -10.6349 -9.7642 -9.7642 1.0563 1.0563 1.7733 1.7733 3.6064 3.6064 4.3718 4.3718 5.0964 5.0964 5.7501 5.7501 15.7783 15.7783 17.1256 17.1256 18.8415 18.8415 19.8582 19.8582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1163-0.6422 ( 3836 PWs) bands (ev): -36.3175 -36.3175 -11.1342 -11.1342 -9.7724 -9.7724 1.8716 1.8716 2.0109 2.0109 3.4891 3.4891 4.5711 4.5711 5.3765 5.3765 6.1231 6.1231 15.3506 15.3506 17.3755 17.3755 19.3179 19.3179 19.9368 19.9368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.1163-0.4518 ( 3849 PWs) bands (ev): -36.3276 -36.3276 -11.6258 -11.6258 -9.9032 -9.9032 1.9768 1.9768 2.9919 2.9919 3.9358 3.9358 4.9504 4.9504 5.7055 5.7055 6.3308 6.3308 14.7587 14.7587 16.9788 16.9788 19.5932 19.5932 19.9594 19.9594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0530-0.3485 ( 3856 PWs) bands (ev): -36.3344 -36.3344 -11.9007 -11.9007 -10.0242 -10.0242 1.8816 1.8816 3.6305 3.6305 4.7990 4.7990 5.0023 5.0023 6.0607 6.0607 6.3216 6.3216 14.1829 14.1829 16.2359 16.2359 19.7101 19.7101 20.3690 20.3690 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0530-0.1581 ( 3850 PWs) bands (ev): -36.3424 -36.3424 -12.1990 -12.1990 -10.1724 -10.1724 1.7670 1.7670 4.7774 4.7774 5.2694 5.2694 5.7457 5.7457 6.1640 6.1640 6.2107 6.2107 13.4881 13.4881 15.2869 15.2869 19.9230 19.9230 21.3659 21.3659 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0530 0.0323 ( 3863 PWs) bands (ev): -36.3454 -36.3454 -12.2988 -12.2988 -10.2375 -10.2375 1.7677 1.7677 5.3908 5.3908 5.4130 5.4130 5.8194 5.8194 6.2166 6.2166 6.2424 6.2424 13.1719 13.1719 14.8984 14.8984 19.9377 19.9377 22.0474 22.0599 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0530 0.2227 ( 3857 PWs) bands (ev): -36.3424 -36.3424 -12.1837 -12.1837 -10.2022 -10.2022 1.9246 1.9246 4.7381 4.7381 5.3345 5.3345 5.6475 5.6475 6.0772 6.0772 6.1305 6.1305 13.7020 13.7020 15.3362 15.3362 19.6652 19.6652 21.5194 21.5194 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0530 0.4131 ( 3846 PWs) bands (ev): -36.3343 -36.3343 -11.8659 -11.8659 -10.0873 -10.0873 2.1936 2.1936 3.6486 3.6486 4.6758 4.6758 5.0984 5.0984 5.9397 5.9397 5.9843 5.9843 14.8230 14.8230 16.2564 16.2564 19.0634 19.0634 20.3844 20.3844 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0530 0.6035 ( 3841 PWs) bands (ev): -36.3238 -36.3238 -11.3906 -11.3906 -9.9497 -9.9497 2.0809 2.0809 2.7828 2.7828 3.8293 3.8293 4.7963 4.7963 5.7043 5.7043 5.7275 5.7275 15.9394 15.9394 16.9654 16.9654 18.2213 18.2213 19.7186 19.7186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0530-1.3005 ( 3842 PWs) bands (ev): -36.3142 -36.3142 -10.8483 -10.8483 -9.8731 -9.8731 1.2275 1.2275 2.1833 2.1833 3.9876 3.9876 4.5297 4.5297 5.2787 5.2787 5.5439 5.5439 16.2269 16.2269 17.0830 17.0830 17.9805 17.9805 18.8635 18.8635 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0530-1.1101 ( 3828 PWs) bands (ev): -36.3084 -36.3084 -10.4194 -10.4194 -9.8981 -9.8981 0.6839 0.6839 1.6619 1.6619 4.3669 4.3669 4.5993 4.5993 4.7797 4.7797 5.4551 5.4551 15.8901 15.8901 16.6532 16.6532 18.3464 18.3464 18.9302 18.9302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0530-0.9197 ( 3824 PWs) bands (ev): -36.3084 -36.3084 -10.4886 -10.4886 -9.8143 -9.8143 0.7151 0.7151 1.5358 1.5358 4.1943 4.1943 4.3450 4.3450 5.3221 5.3221 5.4855 5.4855 15.4826 15.4826 16.5650 16.5650 18.5716 18.5716 19.6628 19.6628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0530-0.7293 ( 3823 PWs) bands (ev): -36.3142 -36.3142 -10.9328 -10.9328 -9.7538 -9.7538 1.3297 1.3297 1.7604 1.7604 3.8270 3.8270 4.4653 4.4653 5.6266 5.6266 5.8806 5.8806 15.1270 15.1270 16.8156 16.8156 19.0851 19.0851 20.0623 20.0623 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.0530-0.5389 ( 3839 PWs) bands (ev): -36.3238 -36.3238 -11.4503 -11.4503 -9.8523 -9.8523 1.9580 1.9580 2.3824 2.3824 3.9891 3.9891 4.7040 4.7040 5.8415 5.8415 6.2261 6.2261 14.7541 14.7541 16.9263 16.9263 19.4568 19.4568 19.9796 19.9796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2223-0.4356 ( 3844 PWs) bands (ev): -36.3276 -36.3276 -11.6113 -11.6113 -9.9276 -9.9276 2.0261 2.0261 2.9725 2.9725 3.9718 3.9718 4.9533 4.9533 5.7450 5.7450 6.2454 6.2454 14.7934 14.7934 16.9867 16.9867 19.3610 19.3610 19.8610 19.8610 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2223-0.2452 ( 3845 PWs) bands (ev): -36.3369 -36.3369 -11.9849 -11.9849 -10.0939 -10.0939 1.9662 1.9662 4.0234 4.0234 4.7587 4.7587 5.3732 5.3732 5.9947 5.9947 6.1737 6.1737 14.2246 14.2246 16.0126 16.0126 19.5472 19.5472 20.6310 20.6310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2223-0.0548 ( 3857 PWs) bands (ev): -36.3424 -36.3424 -12.1837 -12.1837 -10.2022 -10.2022 1.9246 1.9246 4.7381 4.7381 5.3345 5.3345 5.6475 5.6475 6.0772 6.0772 6.1305 6.1305 13.7020 13.7020 15.3362 15.3362 19.6652 19.6652 21.5194 21.5194 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2223 0.1356 ( 3853 PWs) bands (ev): -36.3423 -36.3423 -12.1760 -12.1760 -10.2170 -10.2170 2.0029 2.0029 4.7048 4.7048 5.2698 5.2698 5.7195 5.7195 5.9360 5.9360 6.2056 6.2056 13.7464 13.7464 15.3709 15.3709 19.5235 19.5235 21.4753 21.4753 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2223 0.3260 ( 3840 PWs) bands (ev): -36.3368 -36.3368 -11.9594 -11.9594 -10.1405 -10.1405 2.2000 2.2000 3.9603 3.9603 4.7420 4.7420 5.3969 5.3969 5.8921 5.8921 6.0371 6.0371 14.5191 14.5191 16.0455 16.0455 19.1131 19.1131 20.6543 20.6543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2223 0.5164 ( 3840 PWs) bands (ev): -36.3276 -36.3276 -11.5623 -11.5623 -10.0098 -10.0098 2.2992 2.2992 3.0775 3.0775 3.9093 3.9093 5.0328 5.0328 5.6684 5.6684 5.8160 5.8160 15.6379 15.6379 16.8723 16.8723 18.5807 18.5807 19.7459 19.7459 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2223-1.3876 ( 3851 PWs) bands (ev): -36.3175 -36.3175 -11.0517 -11.0517 -9.8936 -9.8936 1.6612 1.6612 2.4142 2.4142 3.7506 3.7506 4.6179 4.6179 5.4327 5.4327 5.5462 5.5462 16.3853 16.3853 17.2754 17.2754 18.0697 18.0697 19.0936 19.0936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2223-1.1972 ( 3833 PWs) bands (ev): -36.3098 -36.3098 -10.5531 -10.5531 -9.8661 -9.8661 0.9436 0.9436 1.8339 1.8339 3.9263 3.9263 4.4846 4.4846 5.1751 5.1751 5.3667 5.3667 16.1974 16.1974 17.0570 17.0570 18.3275 18.3275 18.6669 18.6669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2223-1.0068 ( 3814 PWs) bands (ev): -36.3069 -36.3069 -10.3473 -10.3473 -9.8545 -9.8545 0.6934 0.6934 1.5369 1.5369 3.8372 3.8372 4.5294 4.5294 5.0304 5.0304 5.5151 5.5151 15.7469 15.7469 16.8890 16.8890 18.3030 18.3030 19.4460 19.4460 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2223-0.8164 ( 3817 PWs) bands (ev): -36.3098 -36.3098 -10.6447 -10.6447 -9.7486 -9.7486 1.0281 1.0281 1.6018 1.6018 3.7103 3.7103 4.4032 4.4032 5.1918 5.1918 5.8690 5.8690 15.3855 15.3855 17.0570 17.0570 18.7076 18.7076 19.9990 19.9990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.2223-0.6260 ( 3831 PWs) bands (ev): -36.3175 -36.3175 -11.1284 -11.1284 -9.7797 -9.7797 1.8642 1.8642 1.8855 1.8855 3.6241 3.6241 4.5694 4.5694 5.4472 5.4472 6.1507 6.1507 15.1342 15.1342 17.3353 17.3353 19.1943 19.1943 19.8987 19.8987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3916-0.5227 ( 3839 PWs) bands (ev): -36.3188 -36.3188 -11.1796 -11.1796 -9.8217 -9.8217 1.9958 1.9958 2.4277 2.4277 3.2274 3.2274 4.7956 4.7956 5.1175 5.1175 6.0516 6.0516 15.6976 15.6976 18.0439 18.0439 18.8651 18.8651 19.3523 19.3523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3916-0.3323 ( 3843 PWs) bands (ev): -36.3276 -36.3276 -11.5898 -11.5898 -9.9647 -9.9647 2.1823 2.1823 3.0746 3.0746 3.8621 3.8621 5.0193 5.0193 5.6555 5.6555 6.0112 6.0112 15.3125 15.3125 17.0022 17.0022 18.8924 18.8924 19.8268 19.8268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3916-0.1419 ( 3846 PWs) bands (ev): -36.3343 -36.3343 -11.8659 -11.8659 -10.0873 -10.0873 2.1936 2.1936 3.6486 3.6486 4.6758 4.6758 5.0984 5.0984 5.9397 5.9397 5.9843 5.9843 14.8230 14.8230 16.2564 16.2564 19.0634 19.0634 20.3844 20.3844 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3916 0.0485 ( 3840 PWs) bands (ev): -36.3368 -36.3368 -11.9594 -11.9594 -10.1405 -10.1405 2.2000 2.2000 3.9603 3.9603 4.7420 4.7420 5.3969 5.3969 5.8921 5.8921 6.0371 6.0371 14.5191 14.5191 16.0455 16.0455 19.1131 19.1131 20.6543 20.6543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3916 0.2389 ( 3842 PWs) bands (ev): -36.3343 -36.3343 -11.8528 -11.8528 -10.1098 -10.1098 2.2685 2.2685 3.5025 3.5025 4.8903 4.8903 4.9845 4.9845 5.8919 5.8919 6.0828 6.0828 14.6450 14.6450 16.2854 16.2854 18.9641 18.9641 20.3613 20.3613 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3916 0.4293 ( 3848 PWs) bands (ev): -36.3276 -36.3276 -11.5594 -11.5594 -10.0135 -10.0135 2.3003 2.3003 2.8456 2.8456 4.1506 4.1506 5.0223 5.0223 5.7154 5.7154 5.8687 5.8687 15.2547 15.2547 16.8928 16.8928 18.7945 18.7945 19.7183 19.7183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3916-1.4747 ( 3839 PWs) bands (ev): -36.3187 -36.3187 -11.1268 -11.1268 -9.8988 -9.8988 1.9765 1.9765 2.2837 2.2837 3.6597 3.6597 4.9065 4.9065 5.1701 5.1701 5.6913 5.6913 16.0442 16.0442 17.5440 17.5440 18.9081 18.9081 18.9642 18.9642 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3916-1.2843 ( 3824 PWs) bands (ev): -36.3106 -36.3106 -10.6451 -10.6451 -9.8336 -9.8336 1.3549 1.3549 1.9079 1.9079 3.4310 3.4310 4.4569 4.4569 5.0990 5.0990 5.4679 5.4679 16.4693 16.4693 17.7012 17.7012 18.2533 18.2533 19.0362 19.0362 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3916-1.0939 ( 3822 PWs) bands (ev): -36.3058 -36.3058 -10.2755 -10.2755 -9.8508 -9.8508 0.9487 0.9487 1.7204 1.7204 3.1515 3.1515 4.1910 4.1910 5.1220 5.1220 5.4373 5.4373 16.3114 16.3114 17.7401 17.7401 17.9422 17.9422 19.5107 19.5107 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3916-0.9035 ( 3817 PWs) bands (ev): -36.3058 -36.3058 -10.3354 -10.3354 -9.7820 -9.7820 1.0196 1.0196 1.6751 1.6751 3.0244 3.0244 4.2316 4.2316 4.8572 4.8572 5.7500 5.7500 16.0292 16.0292 17.9483 17.9483 18.1428 18.1428 19.9789 19.9789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.3916-0.7131 ( 3843 PWs) bands (ev): -36.3107 -36.3107 -10.7193 -10.7193 -9.7374 -9.7374 1.5655 1.5655 1.7864 1.7864 3.0813 3.0813 4.5250 4.5250 4.7427 4.7427 5.9760 5.9760 15.8717 15.8717 18.1976 18.1976 18.6973 18.6973 19.7242 19.7243 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5609-0.6099 ( 3833 PWs) bands (ev): -36.3106 -36.3106 -10.6873 -10.6873 -9.7819 -9.7819 1.4855 1.4855 2.0993 2.0993 3.0447 3.0447 4.3303 4.3303 4.8862 4.8862 5.7177 5.7177 16.5693 16.5693 18.2580 18.2580 18.6521 18.6521 18.8406 18.8406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5609-0.4195 ( 3845 PWs) bands (ev): -36.3175 -36.3175 -11.0776 -11.0776 -9.8575 -9.8575 1.7091 1.7091 2.4743 2.4743 3.4986 3.4986 4.6120 4.6120 5.3605 5.3605 5.6997 5.6997 16.2553 16.2553 17.5986 17.5986 18.0859 18.0859 19.2661 19.2661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5609-0.2291 ( 3841 PWs) bands (ev): -36.3238 -36.3238 -11.3906 -11.3906 -9.9497 -9.9497 2.0809 2.0809 2.7828 2.7828 3.8293 3.8293 4.7963 4.7963 5.7043 5.7043 5.7275 5.7275 15.9394 15.9394 16.9654 16.9654 18.2213 18.2213 19.7186 19.7186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5609-0.0387 ( 3840 PWs) bands (ev): -36.3276 -36.3276 -11.5623 -11.5623 -10.0098 -10.0098 2.2992 2.2992 3.0775 3.0775 3.9093 3.9093 5.0328 5.0328 5.6684 5.6684 5.8160 5.8160 15.6379 15.6379 16.8723 16.8723 18.5807 18.5807 19.7459 19.7459 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5609 0.1517 ( 3848 PWs) bands (ev): -36.3276 -36.3276 -11.5594 -11.5594 -10.0135 -10.0135 2.3003 2.3003 2.8456 2.8456 4.1506 4.1506 5.0223 5.0223 5.7154 5.7154 5.8687 5.8687 15.2547 15.2547 16.8928 16.8928 18.7945 18.7945 19.7183 19.7183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5609 0.3421 ( 3829 PWs) bands (ev): -36.3238 -36.3238 -11.3804 -11.3804 -9.9627 -9.9627 2.1638 2.1638 2.2549 2.2549 4.4339 4.4339 4.6605 4.6605 5.7650 5.7650 5.8989 5.8989 15.0800 15.0800 16.8869 16.8869 18.6364 18.6364 19.7910 19.7910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5609-1.5619 ( 3846 PWs) bands (ev): -36.3175 -36.3175 -11.0563 -11.0563 -9.8837 -9.8837 1.6972 1.6972 1.9585 1.9585 4.0727 4.0727 4.7167 4.7167 5.5016 5.5016 5.7141 5.7141 15.3834 15.3834 17.2575 17.2575 18.3635 18.3635 19.5273 19.5273 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5609-1.3715 ( 3831 PWs) bands (ev): -36.3106 -36.3106 -10.6529 -10.6529 -9.8218 -9.8218 1.3543 1.3543 1.7369 1.7369 3.4811 3.4811 4.6792 4.6792 4.9744 4.9744 5.5966 5.5966 16.0224 16.0224 17.6770 17.6770 18.1594 18.1594 19.4430 19.4430 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5609-1.1811 ( 3828 PWs) bands (ev): -36.3054 -36.3054 -10.2677 -10.2677 -9.8293 -9.8293 1.1865 1.1865 1.7420 1.7420 2.8351 2.8351 3.9649 3.9649 5.1764 5.1764 5.4474 5.4474 16.6978 16.6978 17.1579 17.1579 18.6405 18.6405 19.7409 19.7409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5609-0.9907 ( 3821 PWs) bands (ev): -36.3034 -36.3034 -10.0773 -10.0773 -9.8723 -9.8723 1.2298 1.2298 1.9272 1.9272 2.3568 2.3568 3.5921 3.5921 5.1495 5.1495 5.4959 5.4959 16.7218 16.7218 17.5006 17.5006 18.7642 18.7642 20.0012 20.0012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818 0.5609-0.8003 ( 3822 PWs) bands (ev): -36.3054 -36.3054 -10.3107 -10.3107 -9.7830 -9.7830 1.4081 1.4081 1.8677 1.8677 2.5435 2.5435 3.8111 3.8111 4.9193 4.9193 5.6550 5.6550 16.6505 16.6505 18.1131 18.1131 18.7446 18.7446 19.7776 19.7776 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-1.1321 0.2614 ( 3822 PWs) bands (ev): -36.3058 -36.3058 -10.2735 -10.2735 -9.8573 -9.8573 1.0597 1.0597 1.9751 1.9751 2.9696 2.9696 3.9307 3.9307 5.1217 5.1217 5.3122 5.3122 16.8990 16.8990 17.9108 17.9108 18.6674 18.6674 18.8761 18.8761 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-1.1321 0.4518 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.5650 -10.5650 -9.8538 -9.8538 0.9906 0.9906 1.9679 1.9679 3.7700 3.7700 4.3787 4.3787 5.1153 5.1153 5.3784 5.3784 16.4448 16.4448 17.3709 17.3709 18.1637 18.1637 18.7751 18.7751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-1.1321 0.6422 ( 3842 PWs) bands (ev): -36.3142 -36.3142 -10.8483 -10.8483 -9.8731 -9.8731 1.2275 1.2275 2.1833 2.1833 3.9876 3.9876 4.5297 4.5297 5.2787 5.2787 5.5439 5.5439 16.2269 16.2269 17.0830 17.0830 17.9805 17.9805 18.8635 18.8635 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-1.1321 0.8326 ( 3851 PWs) bands (ev): -36.3175 -36.3175 -11.0517 -11.0517 -9.8936 -9.8936 1.6612 1.6612 2.4142 2.4142 3.7506 3.7506 4.6179 4.6179 5.4327 5.4327 5.5462 5.5462 16.3853 16.3853 17.2754 17.2754 18.0697 18.0697 19.0936 19.0936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-1.1321 1.0230 ( 3839 PWs) bands (ev): -36.3187 -36.3187 -11.1268 -11.1268 -9.8988 -9.8988 1.9765 1.9765 2.2837 2.2837 3.6597 3.6597 4.9065 4.9065 5.1701 5.1701 5.6913 5.6913 16.0442 16.0442 17.5440 17.5440 18.9081 18.9081 18.9642 18.9642 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-1.1321 1.2134 ( 3846 PWs) bands (ev): -36.3175 -36.3175 -11.0563 -11.0563 -9.8837 -9.8837 1.6972 1.6972 1.9585 1.9585 4.0727 4.0727 4.7167 4.7167 5.5016 5.5016 5.7141 5.7141 15.3834 15.3834 17.2575 17.2575 18.3635 18.3635 19.5273 19.5273 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-1.1321-0.6906 ( 3837 PWs) bands (ev): -36.3141 -36.3141 -10.8566 -10.8566 -9.8558 -9.8558 1.1848 1.1848 1.6982 1.6982 4.3998 4.3998 4.5716 4.5716 5.5820 5.5820 5.7141 5.7141 15.0466 15.0466 16.7512 16.7512 18.1629 18.1629 19.4667 19.4667 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-1.1321-0.5002 ( 3830 PWs) bands (ev): -36.3098 -36.3098 -10.5772 -10.5772 -9.8311 -9.8311 0.8991 0.8991 1.5238 1.5238 3.9793 3.9793 4.7126 4.7126 5.3211 5.3211 5.5830 5.5830 15.3221 15.3221 17.0032 17.0032 17.8341 17.8341 19.5357 19.5357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-1.1321-0.3098 ( 3816 PWs) bands (ev): -36.3058 -36.3058 -10.2921 -10.2921 -9.8297 -9.8297 0.9144 0.9144 1.6002 1.6002 3.1837 3.1837 4.3483 4.3483 5.0595 5.0595 5.5679 5.5679 16.0309 16.0309 17.4908 17.4908 17.9213 17.9213 19.8130 19.8130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-1.1321-0.1194 ( 3821 PWs) bands (ev): -36.3034 -36.3034 -10.0773 -10.0773 -9.8723 -9.8723 1.2298 1.2298 1.9272 1.9272 2.3568 2.3568 3.5921 3.5921 5.1495 5.1495 5.4959 5.4959 16.7218 16.7218 17.5006 17.5006 18.7642 18.7642 20.0012 20.0012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-1.1321 0.0710 ( 3815 PWs) bands (ev): -36.3034 -36.3034 -10.0564 -10.0564 -9.8969 -9.8969 1.3807 1.3807 2.1279 2.1279 2.1857 2.1857 3.3739 3.3739 5.2373 5.2373 5.3346 5.3346 16.9335 16.9335 18.1315 18.1315 18.7373 18.7373 19.7884 19.7884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9628 0.1742 ( 3828 PWs) bands (ev): -36.3058 -36.3058 -10.3088 -10.3088 -9.8171 -9.8171 1.0990 1.0990 1.9587 1.9587 2.8913 2.8913 3.9464 3.9464 4.9001 4.9001 5.5682 5.5682 16.6404 16.6404 17.9505 17.9505 18.8735 18.8735 19.4099 19.4099 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9628 0.3646 ( 3818 PWs) bands (ev): -36.3069 -36.3069 -10.3243 -10.3243 -9.8841 -9.8841 0.7316 0.7316 1.7010 1.7010 3.7957 3.7957 4.4316 4.4316 4.9207 4.9207 5.4015 5.4015 16.1572 16.1572 17.0310 17.0310 18.4431 18.4431 19.3004 19.3004 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9628 0.5550 ( 3828 PWs) bands (ev): -36.3084 -36.3084 -10.4194 -10.4194 -9.8981 -9.8981 0.6839 0.6839 1.6619 1.6619 4.3669 4.3669 4.5993 4.5993 4.7797 4.7797 5.4551 5.4551 15.8901 15.8901 16.6532 16.6532 18.3464 18.3464 18.9302 18.9302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9628 0.7454 ( 3833 PWs) bands (ev): -36.3098 -36.3098 -10.5531 -10.5531 -9.8661 -9.8661 0.9436 0.9436 1.8339 1.8339 3.9263 3.9263 4.4846 4.4846 5.1751 5.1751 5.3667 5.3667 16.1974 16.1974 17.0570 17.0570 18.3275 18.3275 18.6669 18.6669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9628 0.9359 ( 3824 PWs) bands (ev): -36.3106 -36.3106 -10.6451 -10.6451 -9.8336 -9.8336 1.3549 1.3549 1.9079 1.9079 3.4310 3.4310 4.4569 4.4569 5.0990 5.0990 5.4679 5.4679 16.4693 16.4693 17.7012 17.7012 18.2533 18.2533 19.0362 19.0362 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9628 1.1263 ( 3831 PWs) bands (ev): -36.3106 -36.3106 -10.6529 -10.6529 -9.8218 -9.8218 1.3543 1.3543 1.7369 1.7369 3.4811 3.4811 4.6792 4.6792 4.9744 4.9744 5.5966 5.5966 16.0224 16.0224 17.6770 17.6770 18.1594 18.1594 19.4430 19.4430 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9628-0.7778 ( 3830 PWs) bands (ev): -36.3098 -36.3098 -10.5772 -10.5772 -9.8311 -9.8311 0.8991 0.8991 1.5238 1.5238 3.9793 3.9793 4.7126 4.7126 5.3211 5.3211 5.5830 5.5830 15.3221 15.3221 17.0032 17.0032 17.8341 17.8341 19.5357 19.5357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9628-0.5874 ( 3832 PWs) bands (ev): -36.3084 -36.3084 -10.4601 -10.4601 -9.8430 -9.8430 0.6208 0.6208 1.3307 1.3307 4.2689 4.2689 4.7031 4.7031 5.4190 5.4190 5.5863 5.5863 15.0153 15.0153 16.4362 16.4362 17.9041 17.9041 19.5638 19.5638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9628-0.3970 ( 3811 PWs) bands (ev): -36.3069 -36.3069 -10.3697 -10.3697 -9.8250 -9.8250 0.6554 0.6554 1.3772 1.3772 3.8612 3.8612 4.6156 4.6156 5.1739 5.1739 5.6391 5.6391 15.3264 15.3264 16.8559 16.8559 17.9567 17.9567 19.7679 19.7679 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9628-0.2066 ( 3817 PWs) bands (ev): -36.3058 -36.3058 -10.3354 -10.3354 -9.7820 -9.7820 1.0196 1.0196 1.6751 1.6751 3.0244 3.0244 4.2316 4.2316 4.8572 4.8572 5.7500 5.7500 16.0292 16.0292 17.9483 17.9483 18.1428 18.1428 19.9789 19.9789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.9628-0.0162 ( 3831 PWs) bands (ev): -36.3054 -36.3054 -10.3226 -10.3226 -9.7701 -9.7701 1.4835 1.4835 1.9385 1.9385 2.4348 2.4348 3.7367 3.7367 4.8454 4.8454 5.7245 5.7245 16.6165 16.6165 18.5242 18.5242 18.7847 18.7847 19.7750 19.7750 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7935 0.0871 ( 3821 PWs) bands (ev): -36.3106 -36.3106 -10.7254 -10.7254 -9.7319 -9.7319 1.6104 1.6104 2.0398 2.0398 2.8628 2.8628 4.3383 4.3383 4.7293 4.7293 5.9644 5.9644 16.2015 16.2015 18.2900 18.2900 19.0313 19.0313 19.5527 19.5527 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7935 0.2775 ( 3822 PWs) bands (ev): -36.3098 -36.3098 -10.6349 -10.6349 -9.7642 -9.7642 1.0563 1.0563 1.7733 1.7733 3.6064 3.6064 4.3718 4.3718 5.0964 5.0964 5.7501 5.7501 15.7783 15.7783 17.1256 17.1256 18.8415 18.8415 19.8582 19.8582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7935 0.4679 ( 3824 PWs) bands (ev): -36.3084 -36.3084 -10.4886 -10.4886 -9.8143 -9.8143 0.7151 0.7151 1.5358 1.5358 4.1943 4.1943 4.3450 4.3450 5.3221 5.3221 5.4855 5.4855 15.4826 15.4826 16.5650 16.5650 18.5716 18.5716 19.6628 19.6628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7935 0.6583 ( 3814 PWs) bands (ev): -36.3069 -36.3069 -10.3473 -10.3473 -9.8545 -9.8545 0.6934 0.6934 1.5369 1.5369 3.8372 3.8372 4.5294 4.5294 5.0304 5.0304 5.5151 5.5151 15.7469 15.7469 16.8890 16.8890 18.3030 18.3030 19.4460 19.4460 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7935 0.8487 ( 3822 PWs) bands (ev): -36.3058 -36.3058 -10.2755 -10.2755 -9.8508 -9.8508 0.9487 0.9487 1.7204 1.7204 3.1515 3.1515 4.1910 4.1910 5.1220 5.1220 5.4373 5.4373 16.3114 16.3114 17.7401 17.7401 17.9422 17.9422 19.5107 19.5107 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7935 1.0391 ( 3828 PWs) bands (ev): -36.3054 -36.3054 -10.2677 -10.2677 -9.8293 -9.8293 1.1865 1.1865 1.7420 1.7420 2.8351 2.8351 3.9649 3.9649 5.1764 5.1764 5.4474 5.4474 16.6978 16.6978 17.1579 17.1579 18.6405 18.6405 19.7409 19.7409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7935-0.8649 ( 3816 PWs) bands (ev): -36.3058 -36.3058 -10.2921 -10.2921 -9.8297 -9.8297 0.9144 0.9144 1.6002 1.6002 3.1837 3.1837 4.3483 4.3483 5.0595 5.0595 5.5679 5.5679 16.0309 16.0309 17.4908 17.4908 17.9213 17.9213 19.8130 19.8130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7935-0.6745 ( 3811 PWs) bands (ev): -36.3069 -36.3069 -10.3697 -10.3697 -9.8250 -9.8250 0.6554 0.6554 1.3772 1.3772 3.8612 3.8612 4.6156 4.6156 5.1739 5.1739 5.6391 5.6391 15.3264 15.3264 16.8559 16.8559 17.9567 17.9567 19.7679 19.7679 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7935-0.4841 ( 3814 PWs) bands (ev): -36.3084 -36.3084 -10.5054 -10.5054 -9.7899 -9.7899 0.6807 0.6807 1.3645 1.3645 4.2901 4.2901 4.3320 4.3320 5.5492 5.5492 5.5816 5.5816 15.0522 15.0522 16.4811 16.4811 18.3471 18.3471 19.8431 19.8431 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7935-0.2937 ( 3817 PWs) bands (ev): -36.3098 -36.3098 -10.6447 -10.6447 -9.7486 -9.7486 1.0281 1.0281 1.6018 1.6018 3.7103 3.7103 4.4032 4.4032 5.1918 5.1918 5.8690 5.8690 15.3855 15.3855 17.0570 17.0570 18.7076 18.7076 19.9990 19.9990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.7935-0.1033 ( 3820 PWs) bands (ev): -36.3106 -36.3106 -10.7286 -10.7286 -9.7265 -9.7265 1.6116 1.6116 1.9067 1.9067 2.9435 2.9435 4.4135 4.4135 4.7171 4.7171 6.0070 6.0070 16.0060 16.0060 18.2428 18.2428 18.9831 18.9831 19.6929 19.6929 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6242 0.0000 ( 3839 PWs) bands (ev): -36.3188 -36.3188 -11.2061 -11.2061 -9.7817 -9.7817 2.0686 2.0686 2.4203 2.4203 3.0601 3.0601 4.7519 4.7519 5.0537 5.0537 6.2228 6.2228 15.5697 15.5697 18.0805 18.0805 19.0976 19.0976 19.7360 19.7360 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6242 0.1904 ( 3836 PWs) bands (ev): -36.3175 -36.3175 -11.1342 -11.1342 -9.7724 -9.7724 1.8716 1.8716 2.0109 2.0109 3.4891 3.4891 4.5711 4.5711 5.3765 5.3765 6.1231 6.1231 15.3506 15.3506 17.3755 17.3755 19.3179 19.3179 19.9368 19.9368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6242 0.3808 ( 3823 PWs) bands (ev): -36.3142 -36.3142 -10.9328 -10.9328 -9.7538 -9.7538 1.3297 1.3297 1.7604 1.7604 3.8270 3.8270 4.4653 4.4653 5.6266 5.6266 5.8806 5.8806 15.1270 15.1270 16.8156 16.8156 19.0851 19.0851 20.0623 20.0623 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6242 0.5712 ( 3817 PWs) bands (ev): -36.3098 -36.3098 -10.6447 -10.6447 -9.7486 -9.7486 1.0281 1.0281 1.6018 1.6018 3.7103 3.7103 4.4032 4.4032 5.1918 5.1918 5.8690 5.8690 15.3855 15.3855 17.0570 17.0570 18.7076 18.7076 19.9990 19.9990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6242 0.7616 ( 3817 PWs) bands (ev): -36.3058 -36.3058 -10.3354 -10.3354 -9.7820 -9.7820 1.0196 1.0196 1.6751 1.6751 3.0244 3.0244 4.2316 4.2316 4.8572 4.8572 5.7500 5.7500 16.0292 16.0292 17.9483 17.9483 18.1428 18.1428 19.9789 19.9789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6242 0.9520 ( 3821 PWs) bands (ev): -36.3034 -36.3034 -10.0773 -10.0773 -9.8723 -9.8723 1.2298 1.2298 1.9272 1.9272 2.3568 2.3568 3.5921 3.5921 5.1495 5.1495 5.4959 5.4959 16.7218 16.7218 17.5006 17.5006 18.7642 18.7642 20.0012 20.0012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6242-0.9520 ( 3821 PWs) bands (ev): -36.3034 -36.3034 -10.0773 -10.0773 -9.8723 -9.8723 1.2298 1.2298 1.9272 1.9272 2.3568 2.3568 3.5921 3.5921 5.1495 5.1495 5.4959 5.4959 16.7218 16.7218 17.5006 17.5006 18.7642 18.7642 20.0012 20.0012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6242-0.7616 ( 3817 PWs) bands (ev): -36.3058 -36.3058 -10.3354 -10.3354 -9.7820 -9.7820 1.0196 1.0196 1.6751 1.6751 3.0244 3.0244 4.2316 4.2316 4.8572 4.8572 5.7500 5.7500 16.0292 16.0292 17.9483 17.9483 18.1428 18.1428 19.9789 19.9789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6242-0.5712 ( 3817 PWs) bands (ev): -36.3098 -36.3098 -10.6447 -10.6447 -9.7486 -9.7486 1.0281 1.0281 1.6018 1.6018 3.7103 3.7103 4.4032 4.4032 5.1918 5.1918 5.8690 5.8690 15.3855 15.3855 17.0570 17.0570 18.7076 18.7076 19.9990 19.9990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6242-0.3808 ( 3823 PWs) bands (ev): -36.3142 -36.3142 -10.9328 -10.9328 -9.7538 -9.7538 1.3297 1.3297 1.7604 1.7604 3.8270 3.8270 4.4653 4.4653 5.6266 5.6266 5.8806 5.8806 15.1270 15.1270 16.8156 16.8156 19.0851 19.0851 20.0623 20.0623 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.6242-0.1904 ( 3836 PWs) bands (ev): -36.3175 -36.3175 -11.1342 -11.1342 -9.7724 -9.7724 1.8716 1.8716 2.0109 2.0109 3.4891 3.4891 4.5711 4.5711 5.3765 5.3765 6.1231 6.1231 15.3506 15.3506 17.3755 17.3755 19.3179 19.3179 19.9368 19.9368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4549-0.0871 ( 3854 PWs) bands (ev): -36.3276 -36.3276 -11.6266 -11.6266 -9.9021 -9.9021 1.9964 1.9964 3.0028 3.0028 3.9146 3.9146 4.9665 4.9665 5.6697 5.6697 6.3070 6.3070 14.8486 14.8486 16.9857 16.9857 19.6161 19.6161 20.0064 20.0064 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4549 0.1033 ( 3849 PWs) bands (ev): -36.3276 -36.3276 -11.6258 -11.6258 -9.9032 -9.9032 1.9768 1.9768 2.9919 2.9919 3.9358 3.9358 4.9504 4.9504 5.7055 5.7055 6.3308 6.3308 14.7587 14.7587 16.9788 16.9788 19.5932 19.5932 19.9594 19.9594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4549 0.2937 ( 3839 PWs) bands (ev): -36.3238 -36.3238 -11.4503 -11.4503 -9.8523 -9.8523 1.9580 1.9580 2.3824 2.3824 3.9891 3.9891 4.7040 4.7040 5.8415 5.8415 6.2261 6.2261 14.7541 14.7541 16.9263 16.9263 19.4568 19.4568 19.9796 19.9796 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4549 0.4841 ( 3831 PWs) bands (ev): -36.3175 -36.3175 -11.1284 -11.1284 -9.7797 -9.7797 1.8642 1.8642 1.8855 1.8855 3.6241 3.6241 4.5694 4.5694 5.4472 5.4472 6.1507 6.1507 15.1342 15.1342 17.3353 17.3353 19.1943 19.1943 19.8987 19.8987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4549 0.6745 ( 3843 PWs) bands (ev): -36.3107 -36.3107 -10.7193 -10.7193 -9.7374 -9.7374 1.5655 1.5655 1.7864 1.7864 3.0813 3.0813 4.5250 4.5250 4.7427 4.7427 5.9760 5.9760 15.8717 15.8717 18.1976 18.1976 18.6973 18.6973 19.7242 19.7243 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4549 0.8649 ( 3822 PWs) bands (ev): -36.3054 -36.3054 -10.3107 -10.3107 -9.7830 -9.7830 1.4081 1.4081 1.8677 1.8677 2.5435 2.5435 3.8111 3.8111 4.9193 4.9193 5.6550 5.6550 16.6505 16.6505 18.1131 18.1131 18.7446 18.7446 19.7776 19.7776 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4549-1.0391 ( 3815 PWs) bands (ev): -36.3034 -36.3034 -10.0564 -10.0564 -9.8969 -9.8969 1.3807 1.3807 2.1279 2.1279 2.1857 2.1857 3.3739 3.3739 5.2373 5.2373 5.3346 5.3346 16.9335 16.9335 18.1315 18.1315 18.7373 18.7373 19.7884 19.7884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4549-0.8487 ( 3831 PWs) bands (ev): -36.3054 -36.3054 -10.3226 -10.3226 -9.7701 -9.7701 1.4835 1.4835 1.9385 1.9385 2.4348 2.4348 3.7367 3.7367 4.8454 4.8454 5.7245 5.7245 16.6165 16.6165 18.5242 18.5242 18.7847 18.7847 19.7750 19.7750 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4549-0.6583 ( 3820 PWs) bands (ev): -36.3106 -36.3106 -10.7286 -10.7286 -9.7265 -9.7265 1.6116 1.6116 1.9067 1.9067 2.9435 2.9435 4.4135 4.4135 4.7171 4.7171 6.0070 6.0070 16.0060 16.0060 18.2428 18.2428 18.9831 18.9831 19.6929 19.6929 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4549-0.4679 ( 3836 PWs) bands (ev): -36.3175 -36.3175 -11.1342 -11.1342 -9.7724 -9.7724 1.8716 1.8716 2.0109 2.0109 3.4891 3.4891 4.5711 4.5711 5.3765 5.3765 6.1231 6.1231 15.3506 15.3506 17.3755 17.3755 19.3179 19.3179 19.9368 19.9368 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.1818-0.4549-0.2775 ( 3839 PWs) bands (ev): -36.3239 -36.3239 -11.4531 -11.4531 -9.8486 -9.8486 2.0182 2.0182 2.4036 2.4036 3.8990 3.8990 4.7459 4.7459 5.7880 5.7880 6.1603 6.1603 14.9609 14.9609 16.9501 16.9501 19.5441 19.5441 20.0047 20.0047 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4285-0.2614 ( 3838 PWs) bands (ev): -36.3238 -36.3238 -11.4416 -11.4416 -9.8682 -9.8682 2.0832 2.0832 2.4744 2.4744 3.8373 3.8373 4.7843 4.7843 5.7397 5.7397 6.0240 6.0240 15.2621 15.2621 16.9995 16.9995 19.2395 19.2395 19.9315 19.9315 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4285-0.0710 ( 3853 PWs) bands (ev): -36.3276 -36.3276 -11.6134 -11.6134 -9.9248 -9.9248 2.0730 2.0730 3.0308 3.0308 3.8856 3.8856 4.9933 4.9933 5.6517 5.6517 6.1901 6.1901 15.0417 15.0417 17.0075 17.0075 19.3162 19.3162 19.9215 19.9215 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4285 0.1194 ( 3844 PWs) bands (ev): -36.3276 -36.3276 -11.6113 -11.6113 -9.9276 -9.9276 2.0261 2.0261 2.9725 2.9725 3.9718 3.9718 4.9533 4.9533 5.7450 5.7450 6.2454 6.2454 14.7934 14.7934 16.9867 16.9867 19.3610 19.3610 19.8610 19.8610 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4285 0.3098 ( 3833 PWs) bands (ev): -36.3238 -36.3238 -11.4339 -11.4339 -9.8783 -9.8783 1.9617 1.9617 2.3500 2.3500 4.1218 4.1218 4.6713 4.6713 5.8838 5.8838 6.1813 6.1813 14.6915 14.6915 16.9245 16.9245 19.2346 19.2346 19.8935 19.8935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4285 0.5002 ( 3829 PWs) bands (ev): -36.3175 -36.3175 -11.1099 -11.1099 -9.8063 -9.8063 1.8204 1.8204 1.8356 1.8356 3.7889 3.7889 4.5941 4.5941 5.5104 5.5104 6.0767 6.0767 15.0544 15.0544 17.3165 17.3165 18.9259 18.9259 19.7959 19.7959 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4285 0.6906 ( 3834 PWs) bands (ev): -36.3106 -36.3106 -10.6998 -10.6998 -9.7619 -9.7619 1.4884 1.4884 1.7165 1.7165 3.2366 3.2366 4.6435 4.6435 4.7919 4.7919 5.8779 5.8779 15.8248 15.8248 18.1346 18.1346 18.3316 18.3316 19.6696 19.6696 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4285-1.2134 ( 3821 PWs) bands (ev): -36.3054 -36.3054 -10.2942 -10.2942 -9.8008 -9.8008 1.3143 1.3143 1.8047 1.8047 2.6667 2.6667 3.8878 3.8878 5.0231 5.0231 5.5654 5.5654 16.6808 16.6808 17.6815 17.6815 18.6987 18.6987 19.7626 19.7626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4285-1.0230 ( 3824 PWs) bands (ev): -36.3034 -36.3034 -10.0615 -10.0615 -9.8910 -9.8910 1.3393 1.3393 2.0709 2.0709 2.2454 2.2454 3.4193 3.4193 5.1809 5.1809 5.4096 5.4096 16.8424 16.8424 18.0334 18.0334 18.7440 18.7440 19.8263 19.8263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4285-0.8326 ( 3829 PWs) bands (ev): -36.3054 -36.3054 -10.3269 -10.3269 -9.7654 -9.7654 1.5124 1.5124 1.9746 1.9746 2.3867 2.3867 3.7048 3.7048 4.8193 4.8193 5.7506 5.7506 16.6015 16.6015 18.7113 18.7113 18.8006 18.8006 19.7421 19.7421 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4285-0.6422 ( 3821 PWs) bands (ev): -36.3106 -36.3106 -10.7254 -10.7254 -9.7319 -9.7319 1.6104 1.6104 2.0398 2.0398 2.8628 2.8628 4.3383 4.3383 4.7293 4.7293 5.9644 5.9644 16.2015 16.2015 18.2900 18.2900 19.0313 19.0313 19.5527 19.5527 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.4285-0.4518 ( 3837 PWs) bands (ev): -36.3175 -36.3175 -11.1257 -11.1257 -9.7863 -9.7863 1.8364 1.8364 2.1958 2.1958 3.4017 3.4017 4.5866 4.5866 5.3266 5.3266 6.0168 6.0168 15.6529 15.6529 17.4507 17.4507 19.0975 19.0975 19.7100 19.7100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2592-0.3485 ( 3853 PWs) bands (ev): -36.3276 -36.3276 -11.6134 -11.6134 -9.9248 -9.9248 2.0730 2.0730 3.0308 3.0308 3.8856 3.8856 4.9933 4.9933 5.6517 5.6517 6.1901 6.1901 15.0417 15.0417 17.0075 17.0075 19.3162 19.3162 19.9215 19.9215 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2592-0.1581 ( 3853 PWs) bands (ev): -36.3344 -36.3344 -11.8908 -11.8908 -10.0426 -10.0426 1.9906 1.9906 3.6501 3.6501 4.7422 4.7422 5.0894 5.0894 5.9530 5.9530 6.1660 6.1660 14.5120 14.5120 16.2422 16.2422 19.5438 19.5438 20.3964 20.3964 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2592 0.0323 ( 3845 PWs) bands (ev): -36.3369 -36.3369 -11.9849 -11.9849 -10.0939 -10.0939 1.9662 1.9662 4.0234 4.0234 4.7587 4.7587 5.3732 5.3732 5.9947 5.9947 6.1737 6.1737 14.2246 14.2246 16.0126 16.0126 19.5472 19.5472 20.6310 20.6310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2592 0.2227 ( 3842 PWs) bands (ev): -36.3343 -36.3343 -11.8793 -11.8793 -10.0628 -10.0628 2.0397 2.0397 3.5840 3.5840 4.8314 4.8314 4.9855 4.9855 6.0797 6.0797 6.1499 6.1499 14.3517 14.3517 16.2741 16.2741 19.3433 19.3433 20.3557 20.3557 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2592 0.4131 ( 3829 PWs) bands (ev): -36.3276 -36.3276 -11.5869 -11.5869 -9.9685 -9.9685 2.1402 2.1402 2.9227 2.9227 4.0459 4.0459 4.9787 4.9787 5.7681 5.7681 6.0622 6.0622 14.9616 14.9616 16.9779 16.9779 19.0613 19.0613 19.7720 19.7720 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2592 0.6035 ( 3841 PWs) bands (ev): -36.3187 -36.3187 -11.1528 -11.1528 -9.8612 -9.8612 1.9711 1.9711 2.3682 2.3682 3.4348 3.4348 4.8448 4.8448 5.1623 5.1623 5.8716 5.8716 15.8503 15.8503 17.8605 17.8605 18.8253 18.8253 19.1001 19.1001 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2592-1.3005 ( 3833 PWs) bands (ev): -36.3106 -36.3106 -10.6628 -10.6628 -9.8125 -9.8125 1.4093 1.4093 2.0140 2.0140 3.2544 3.2544 4.3775 4.3775 5.0081 5.0081 5.5700 5.5700 16.5997 16.5997 17.9654 17.9654 18.4111 18.4111 18.8580 18.8580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2592-1.1101 ( 3820 PWs) bands (ev): -36.3058 -36.3058 -10.2681 -10.2681 -9.8616 -9.8616 1.0031 1.0031 1.8577 1.8577 3.0744 3.0744 4.0370 4.0370 5.1975 5.1975 5.2873 5.2873 16.6446 16.6446 17.8541 17.8541 18.2337 18.2337 19.1665 19.1665 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2592-0.9197 ( 3821 PWs) bands (ev): -36.3058 -36.3058 -10.3256 -10.3256 -9.7958 -9.7958 1.0683 1.0683 1.8228 1.8228 2.9496 2.9496 4.0693 4.0693 4.8568 4.8568 5.6800 5.6800 16.3121 16.3121 17.9437 17.9437 18.5783 18.5783 19.7302 19.7302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2592-0.7293 ( 3820 PWs) bands (ev): -36.3106 -36.3106 -10.7286 -10.7286 -9.7265 -9.7265 1.6116 1.6116 1.9067 1.9067 2.9435 2.9435 4.4135 4.4135 4.7171 4.7171 6.0070 6.0070 16.0060 16.0060 18.2428 18.2428 18.9831 18.9831 19.6929 19.6929 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.2592-0.5389 ( 3841 PWs) bands (ev): -36.3188 -36.3188 -11.1991 -11.1991 -9.7924 -9.7924 2.0413 2.0413 2.4345 2.4345 3.0985 3.0985 4.7632 4.7632 5.0723 5.0723 6.1778 6.1778 15.6022 15.6022 18.0815 18.0815 19.0119 19.0119 19.6109 19.6109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0899-0.4356 ( 3844 PWs) bands (ev): -36.3276 -36.3276 -11.6113 -11.6113 -9.9276 -9.9276 2.0261 2.0261 2.9725 2.9725 3.9718 3.9718 4.9533 4.9533 5.7450 5.7450 6.2454 6.2454 14.7934 14.7934 16.9867 16.9867 19.3610 19.3610 19.8610 19.8610 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0899-0.2452 ( 3845 PWs) bands (ev): -36.3369 -36.3369 -11.9849 -11.9849 -10.0939 -10.0939 1.9662 1.9662 4.0234 4.0234 4.7587 4.7587 5.3732 5.3732 5.9947 5.9947 6.1737 6.1737 14.2246 14.2246 16.0126 16.0126 19.5472 19.5472 20.6310 20.6310 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0899-0.0548 ( 3857 PWs) bands (ev): -36.3424 -36.3424 -12.1837 -12.1837 -10.2022 -10.2022 1.9246 1.9246 4.7381 4.7381 5.3345 5.3345 5.6475 5.6475 6.0772 6.0772 6.1305 6.1305 13.7020 13.7020 15.3362 15.3362 19.6652 19.6652 21.5194 21.5194 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0899 0.1356 ( 3853 PWs) bands (ev): -36.3423 -36.3423 -12.1760 -12.1760 -10.2170 -10.2170 2.0029 2.0029 4.7048 4.7048 5.2698 5.2698 5.7195 5.7195 5.9360 5.9360 6.2056 6.2056 13.7464 13.7464 15.3709 15.3709 19.5235 19.5235 21.4753 21.4753 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0899 0.3260 ( 3840 PWs) bands (ev): -36.3368 -36.3368 -11.9594 -11.9594 -10.1405 -10.1405 2.2000 2.2000 3.9603 3.9603 4.7420 4.7420 5.3969 5.3969 5.8921 5.8921 6.0371 6.0371 14.5191 14.5191 16.0455 16.0455 19.1131 19.1131 20.6543 20.6543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0899 0.5164 ( 3840 PWs) bands (ev): -36.3276 -36.3276 -11.5623 -11.5623 -10.0098 -10.0098 2.2992 2.2992 3.0775 3.0775 3.9093 3.9093 5.0328 5.0328 5.6684 5.6684 5.8160 5.8160 15.6379 15.6379 16.8723 16.8723 18.5807 18.5807 19.7459 19.7459 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0899-1.3876 ( 3851 PWs) bands (ev): -36.3175 -36.3175 -11.0517 -11.0517 -9.8936 -9.8936 1.6612 1.6612 2.4142 2.4142 3.7506 3.7506 4.6179 4.6179 5.4327 5.4327 5.5462 5.5462 16.3853 16.3853 17.2754 17.2754 18.0697 18.0697 19.0936 19.0936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0899-1.1972 ( 3833 PWs) bands (ev): -36.3098 -36.3098 -10.5531 -10.5531 -9.8661 -9.8661 0.9436 0.9436 1.8339 1.8339 3.9263 3.9263 4.4846 4.4846 5.1751 5.1751 5.3667 5.3667 16.1974 16.1974 17.0570 17.0570 18.3275 18.3275 18.6669 18.6669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0899-1.0068 ( 3814 PWs) bands (ev): -36.3069 -36.3069 -10.3473 -10.3473 -9.8545 -9.8545 0.6934 0.6934 1.5369 1.5369 3.8372 3.8372 4.5294 4.5294 5.0304 5.0304 5.5151 5.5151 15.7469 15.7469 16.8890 16.8890 18.3030 18.3030 19.4460 19.4460 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0899-0.8164 ( 3817 PWs) bands (ev): -36.3098 -36.3098 -10.6447 -10.6447 -9.7486 -9.7486 1.0281 1.0281 1.6018 1.6018 3.7103 3.7103 4.4032 4.4032 5.1918 5.1918 5.8690 5.8690 15.3855 15.3855 17.0570 17.0570 18.7076 18.7076 19.9990 19.9990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.0899-0.6260 ( 3831 PWs) bands (ev): -36.3175 -36.3175 -11.1284 -11.1284 -9.7797 -9.7797 1.8642 1.8642 1.8855 1.8855 3.6241 3.6241 4.5694 4.5694 5.4472 5.4472 6.1507 6.1507 15.1342 15.1342 17.3353 17.3353 19.1943 19.1943 19.8987 19.8987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0794-0.5227 ( 3833 PWs) bands (ev): -36.3238 -36.3238 -11.4339 -11.4339 -9.8783 -9.8783 1.9617 1.9617 2.3500 2.3500 4.1218 4.1218 4.6713 4.6713 5.8838 5.8838 6.1813 6.1813 14.6915 14.6915 16.9245 16.9245 19.2346 19.2346 19.8935 19.8935 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0794-0.3323 ( 3842 PWs) bands (ev): -36.3343 -36.3343 -11.8793 -11.8793 -10.0628 -10.0628 2.0397 2.0397 3.5840 3.5840 4.8314 4.8314 4.9855 4.9855 6.0797 6.0797 6.1499 6.1499 14.3517 14.3517 16.2741 16.2741 19.3433 19.3433 20.3557 20.3557 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0794-0.1419 ( 3853 PWs) bands (ev): -36.3423 -36.3423 -12.1760 -12.1760 -10.2170 -10.2170 2.0029 2.0029 4.7048 4.7048 5.2698 5.2698 5.7195 5.7195 5.9360 5.9360 6.2056 6.2056 13.7464 13.7464 15.3709 15.3709 19.5235 19.5235 21.4753 21.4753 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0794 0.0485 ( 3872 PWs) bands (ev): -36.3453 -36.3453 -12.2749 -12.2749 -10.2846 -10.2846 2.0395 2.0395 5.4030 5.4030 5.4253 5.4253 5.4351 5.4351 6.1993 6.1993 6.2255 6.2255 13.4409 13.4409 15.0121 15.0121 19.5533 19.5533 22.2702 22.2777 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0794 0.2389 ( 3840 PWs) bands (ev): -36.3423 -36.3423 -12.1587 -12.1587 -10.2499 -10.2499 2.2062 2.2062 4.6402 4.6402 5.3415 5.3415 5.4797 5.4797 5.9694 5.9694 6.1188 6.1188 13.9944 13.9944 15.4187 15.4187 19.2392 19.2392 21.6415 21.6415 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0794 0.4293 ( 3832 PWs) bands (ev): -36.3343 -36.3343 -11.8399 -11.8399 -10.1328 -10.1328 2.4246 2.4246 3.6056 3.6056 4.6363 4.6363 5.0862 5.0862 5.7994 5.7994 5.9555 5.9555 15.1645 15.1645 16.1966 16.1966 18.6717 18.6717 20.3767 20.3767 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0794-1.4747 ( 3838 PWs) bands (ev): -36.3238 -36.3238 -11.3663 -11.3663 -9.9867 -9.9867 2.0791 2.0791 2.7692 2.7692 4.0208 4.0208 4.7645 4.7645 5.5744 5.5744 5.7639 5.7639 16.2052 16.2052 16.6450 16.6450 18.0992 18.0992 19.6768 19.6768 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0794-1.2843 ( 3853 PWs) bands (ev): -36.3142 -36.3142 -10.8341 -10.8341 -9.8900 -9.8900 1.1898 1.1898 2.0380 2.0380 4.3162 4.3162 4.4844 4.4844 5.2535 5.2535 5.6022 5.6022 15.9833 15.9833 16.7660 16.7660 18.2348 18.2348 18.7465 18.7465 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0794-1.0939 ( 3822 PWs) bands (ev): -36.3084 -36.3084 -10.4350 -10.4350 -9.8762 -9.8762 0.6469 0.6469 1.4911 1.4911 4.3151 4.3151 4.6843 4.6843 5.0762 5.0762 5.5233 5.5233 15.4754 15.4754 16.4679 16.4679 18.1708 18.1708 19.1828 19.1828 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0794-0.9035 ( 3814 PWs) bands (ev): -36.3084 -36.3084 -10.5054 -10.5054 -9.7899 -9.7899 0.6807 0.6807 1.3645 1.3645 4.2901 4.2901 4.3320 4.3320 5.5492 5.5492 5.5816 5.5816 15.0522 15.0522 16.4811 16.4811 18.3471 18.3471 19.8431 19.8431 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.0794-0.7131 ( 3824 PWs) bands (ev): -36.3142 -36.3142 -10.9281 -10.9281 -9.7581 -9.7581 1.2973 1.2973 1.6281 1.6281 4.0217 4.0217 4.4209 4.4209 5.6858 5.6858 5.9912 5.9912 14.8236 14.8236 16.7759 16.7759 18.8688 18.8688 20.1150 20.1150 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2487-0.6099 ( 3829 PWs) bands (ev): -36.3175 -36.3175 -11.1099 -11.1099 -9.8063 -9.8063 1.8204 1.8204 1.8356 1.8356 3.7889 3.7889 4.5941 4.5941 5.5104 5.5104 6.0767 6.0767 15.0544 15.0544 17.3165 17.3165 18.9259 18.9259 19.7959 19.7959 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2487-0.4195 ( 3829 PWs) bands (ev): -36.3276 -36.3276 -11.5869 -11.5869 -9.9685 -9.9685 2.1402 2.1402 2.9227 2.9227 4.0459 4.0459 4.9787 4.9787 5.7681 5.7681 6.0622 6.0622 14.9616 14.9616 16.9779 16.9779 19.0613 19.0613 19.7720 19.7720 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2487-0.2291 ( 3840 PWs) bands (ev): -36.3368 -36.3368 -11.9594 -11.9594 -10.1405 -10.1405 2.2000 2.2000 3.9603 3.9603 4.7420 4.7420 5.3969 5.3969 5.8921 5.8921 6.0371 6.0371 14.5191 14.5191 16.0455 16.0455 19.1131 19.1131 20.6543 20.6543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2487-0.0387 ( 3840 PWs) bands (ev): -36.3423 -36.3423 -12.1587 -12.1587 -10.2499 -10.2499 2.2062 2.2062 4.6402 4.6402 5.3415 5.3415 5.4797 5.4797 5.9694 5.9694 6.1188 6.1188 13.9944 13.9944 15.4187 15.4187 19.2392 19.2392 21.6415 21.6415 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2487 0.1517 ( 3852 PWs) bands (ev): -36.3423 -36.3423 -12.1513 -12.1513 -10.2637 -10.2637 2.2959 2.2959 4.5584 4.5584 5.2805 5.2805 5.6530 5.6530 5.7655 5.7655 6.1904 6.1904 14.0413 14.0413 15.4489 15.4489 19.1199 19.1199 21.6238 21.6238 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2487 0.3421 ( 3840 PWs) bands (ev): -36.3368 -36.3368 -11.9349 -11.9349 -10.1841 -10.1841 2.4638 2.4638 3.8444 3.8444 4.7602 4.7602 5.4231 5.4231 5.6667 5.6667 6.0163 6.0163 14.8520 14.8520 16.0220 16.0220 18.7538 18.7538 20.6760 20.6760 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2487-1.5619 ( 3840 PWs) bands (ev): -36.3275 -36.3275 -11.5397 -11.5397 -10.0459 -10.0459 2.4089 2.4089 2.9845 2.9845 4.0611 4.0611 5.0340 5.0340 5.5837 5.5837 5.7459 5.7459 15.9961 15.9961 16.5478 16.5478 18.4853 18.4853 19.7041 19.7041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2487-1.3715 ( 3851 PWs) bands (ev): -36.3175 -36.3175 -11.0367 -11.0367 -9.9136 -9.9136 1.6421 1.6421 2.2683 2.2683 4.0078 4.0078 4.6503 4.6503 5.4284 5.4284 5.5182 5.5182 16.1741 16.1741 17.1169 17.1169 18.1611 18.1611 19.1072 19.1072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2487-1.1811 ( 3820 PWs) bands (ev): -36.3098 -36.3098 -10.5579 -10.5579 -9.8574 -9.8574 0.9098 0.9098 1.6698 1.6698 3.9860 3.9860 4.6428 4.6428 5.2317 5.2317 5.4453 5.4453 15.7387 15.7387 17.0001 17.0001 17.9954 17.9954 19.1334 19.1334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2487-0.9907 ( 3811 PWs) bands (ev): -36.3069 -36.3069 -10.3697 -10.3697 -9.8250 -9.8250 0.6554 0.6554 1.3772 1.3772 3.8612 3.8612 4.6156 4.6156 5.1739 5.1739 5.6391 5.6391 15.3264 15.3264 16.8559 16.8559 17.9567 17.9567 19.7679 19.7679 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.2487-0.8003 ( 3820 PWs) bands (ev): -36.3098 -36.3098 -10.6417 -10.6417 -9.7498 -9.7498 0.9876 0.9876 1.4706 1.4706 3.8153 3.8153 4.4686 4.4686 5.2921 5.2921 5.9237 5.9237 15.0952 15.0952 17.0322 17.0322 18.3697 18.3697 20.1043 20.1043 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4180-0.6970 ( 3834 PWs) bands (ev): -36.3106 -36.3106 -10.6998 -10.6998 -9.7619 -9.7619 1.4884 1.4884 1.7165 1.7165 3.2366 3.2366 4.6435 4.6435 4.7919 4.7919 5.8779 5.8779 15.8248 15.8248 18.1346 18.1346 18.3316 18.3316 19.6696 19.6696 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4180-0.5066 ( 3841 PWs) bands (ev): -36.3187 -36.3187 -11.1528 -11.1528 -9.8612 -9.8612 1.9711 1.9711 2.3682 2.3682 3.4348 3.4348 4.8448 4.8448 5.1623 5.1623 5.8716 5.8716 15.8503 15.8503 17.8605 17.8605 18.8253 18.8253 19.1001 19.1001 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4180-0.3162 ( 3840 PWs) bands (ev): -36.3276 -36.3276 -11.5623 -11.5623 -10.0098 -10.0098 2.2992 2.2992 3.0775 3.0775 3.9093 3.9093 5.0328 5.0328 5.6684 5.6684 5.8160 5.8160 15.6379 15.6379 16.8723 16.8723 18.5807 18.5807 19.7459 19.7459 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4180-0.1258 ( 3832 PWs) bands (ev): -36.3343 -36.3343 -11.8399 -11.8399 -10.1328 -10.1328 2.4246 2.4246 3.6056 3.6056 4.6363 4.6363 5.0862 5.0862 5.7994 5.7994 5.9555 5.9555 15.1645 15.1645 16.1966 16.1966 18.6717 18.6717 20.3767 20.3767 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4180 0.0646 ( 3840 PWs) bands (ev): -36.3368 -36.3368 -11.9349 -11.9349 -10.1841 -10.1841 2.4638 2.4638 3.8444 3.8444 4.7602 4.7602 5.4231 5.4231 5.6667 5.6667 6.0163 6.0163 14.8520 14.8520 16.0220 16.0220 18.7538 18.7538 20.6760 20.6760 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4180 0.2550 ( 3838 PWs) bands (ev): -36.3343 -36.3343 -11.8295 -11.8295 -10.1504 -10.1504 2.5176 2.5176 3.4092 3.4092 4.9300 4.9300 4.9992 4.9992 5.6461 5.6461 6.0630 6.0630 15.0156 15.0156 16.2187 16.2187 18.6581 18.6581 20.3830 20.3830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4180-1.6490 ( 3839 PWs) bands (ev): -36.3275 -36.3275 -11.5380 -11.5380 -10.0481 -10.0481 2.4586 2.4586 2.7814 2.7814 4.2355 4.2355 5.0602 5.0602 5.5279 5.5279 5.8120 5.8120 15.6479 15.6479 16.6816 16.6816 18.6233 18.6233 19.7065 19.7065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4180-1.4586 ( 3838 PWs) bands (ev): -36.3187 -36.3187 -11.1106 -11.1106 -9.9219 -9.9219 1.9986 1.9986 2.2159 2.2159 3.8151 3.8151 4.9771 4.9771 5.1166 5.1166 5.5857 5.5857 16.2179 16.2179 17.2738 17.2738 18.8440 18.8440 19.1435 19.1435 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4180-1.2682 ( 3839 PWs) bands (ev): -36.3106 -36.3106 -10.6413 -10.6413 -9.8372 -9.8372 1.3351 1.3351 1.8095 1.8095 3.5092 3.5092 4.5712 4.5712 5.0767 5.0767 5.4868 5.4868 16.2415 16.2415 17.6021 17.6021 18.1789 18.1789 19.2486 19.2486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4180-1.0778 ( 3816 PWs) bands (ev): -36.3058 -36.3058 -10.2921 -10.2921 -9.8297 -9.8297 0.9144 0.9144 1.6002 1.6002 3.1837 3.1837 4.3483 4.3483 5.0595 5.0595 5.5679 5.5679 16.0309 16.0309 17.4908 17.4908 17.9213 17.9213 19.8130 19.8130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727 0.4180-0.8874 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3359 -10.3359 -9.7791 -9.7791 0.9695 0.9695 1.5609 1.5609 3.0926 3.0926 4.3819 4.3819 4.8909 4.8909 5.7668 5.7668 15.8481 15.8481 17.7414 17.7414 17.9530 17.9530 20.1444 20.1444 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.2749 0.1742 ( 3821 PWs) bands (ev): -36.3054 -36.3054 -10.2942 -10.2942 -9.8008 -9.8008 1.3143 1.3143 1.8047 1.8047 2.6667 2.6667 3.8878 3.8878 5.0231 5.0231 5.5654 5.5654 16.6808 16.6808 17.6815 17.6815 18.6987 18.6987 19.7626 19.7627 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.2749 0.3646 ( 3833 PWs) bands (ev): -36.3106 -36.3106 -10.6628 -10.6628 -9.8125 -9.8125 1.4093 1.4093 2.0140 2.0140 3.2544 3.2544 4.3775 4.3775 5.0081 5.0081 5.5700 5.5700 16.5997 16.5997 17.9654 17.9654 18.4111 18.4111 18.8580 18.8580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.2749 0.5550 ( 3851 PWs) bands (ev): -36.3175 -36.3175 -11.0517 -11.0517 -9.8936 -9.8936 1.6612 1.6612 2.4142 2.4142 3.7506 3.7506 4.6179 4.6179 5.4327 5.4327 5.5462 5.5462 16.3853 16.3853 17.2754 17.2754 18.0697 18.0697 19.0936 19.0936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.2749 0.7454 ( 3838 PWs) bands (ev): -36.3238 -36.3238 -11.3663 -11.3663 -9.9867 -9.9867 2.0791 2.0791 2.7692 2.7692 4.0208 4.0208 4.7645 4.7645 5.5744 5.5744 5.7639 5.7639 16.2052 16.2052 16.6450 16.6450 18.0992 18.0992 19.6768 19.6768 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.2749 0.9359 ( 3840 PWs) bands (ev): -36.3275 -36.3275 -11.5397 -11.5397 -10.0459 -10.0459 2.4089 2.4089 2.9845 2.9845 4.0611 4.0611 5.0340 5.0340 5.5837 5.5837 5.7459 5.7459 15.9961 15.9961 16.5478 16.5478 18.4853 18.4853 19.7041 19.7041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.2749 1.1263 ( 3839 PWs) bands (ev): -36.3275 -36.3275 -11.5380 -11.5380 -10.0481 -10.0481 2.4586 2.4586 2.7814 2.7814 4.2355 4.2355 5.0602 5.0602 5.5279 5.5279 5.8120 5.8120 15.6479 15.6479 16.6816 16.6816 18.6233 18.6233 19.7065 19.7065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.2749-0.7778 ( 3839 PWs) bands (ev): -36.3238 -36.3238 -11.3600 -11.3600 -9.9947 -9.9947 2.1446 2.1446 2.4073 2.4073 4.4702 4.4702 4.6845 4.6845 5.5471 5.5471 5.8665 5.8665 15.4958 15.4958 16.7808 16.7808 18.3813 18.3813 19.8034 19.8034 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.2749-0.5874 ( 3843 PWs) bands (ev): -36.3175 -36.3175 -11.0385 -11.0385 -9.9098 -9.9098 1.6552 1.6552 2.1026 2.1026 4.1150 4.1150 4.7203 4.7203 5.4099 5.4099 5.6000 5.6000 15.7570 15.7570 17.1799 17.1799 18.2257 18.2257 19.3014 19.3014 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.2749-0.3970 ( 3839 PWs) bands (ev): -36.3106 -36.3106 -10.6413 -10.6413 -9.8372 -9.8372 1.3351 1.3351 1.8095 1.8095 3.5092 3.5092 4.5712 4.5712 5.0767 5.0767 5.4868 5.4868 16.2415 16.2415 17.6021 17.6021 18.1789 18.1789 19.2486 19.2486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.2749-0.2066 ( 3828 PWs) bands (ev): -36.3054 -36.3054 -10.2677 -10.2677 -9.8293 -9.8293 1.1865 1.1865 1.7420 1.7420 2.8351 2.8351 3.9649 3.9649 5.1764 5.1764 5.4474 5.4474 16.6978 16.6978 17.1579 17.1579 18.6405 18.6405 19.7409 19.7409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.2749-0.0162 ( 3825 PWs) bands (ev): -36.3034 -36.3034 -10.0828 -10.0828 -9.8657 -9.8657 1.1979 1.1979 1.8684 1.8684 2.3911 2.3911 3.6639 3.6639 5.1650 5.1650 5.4980 5.4980 16.7771 16.7771 17.2146 17.2146 18.7693 18.7693 20.1157 20.1157 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1057 0.0871 ( 3824 PWs) bands (ev): -36.3034 -36.3034 -10.0615 -10.0615 -9.8910 -9.8910 1.3393 1.3393 2.0709 2.0709 2.2454 2.2454 3.4193 3.4193 5.1809 5.1809 5.4096 5.4096 16.8424 16.8424 18.0334 18.0334 18.7440 18.7440 19.8263 19.8263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1057 0.2775 ( 3820 PWs) bands (ev): -36.3058 -36.3058 -10.2681 -10.2681 -9.8616 -9.8616 1.0031 1.0031 1.8577 1.8577 3.0744 3.0744 4.0370 4.0370 5.1975 5.1975 5.2873 5.2873 16.6446 16.6446 17.8541 17.8541 18.2337 18.2337 19.1665 19.1665 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1057 0.4679 ( 3833 PWs) bands (ev): -36.3098 -36.3098 -10.5531 -10.5531 -9.8661 -9.8661 0.9436 0.9436 1.8339 1.8339 3.9263 3.9263 4.4846 4.4846 5.1751 5.1751 5.3667 5.3667 16.1974 16.1974 17.0570 17.0570 18.3275 18.3275 18.6669 18.6669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1057 0.6583 ( 3853 PWs) bands (ev): -36.3142 -36.3142 -10.8341 -10.8341 -9.8900 -9.8900 1.1898 1.1898 2.0380 2.0380 4.3162 4.3162 4.4844 4.4844 5.2535 5.2535 5.6022 5.6022 15.9833 15.9833 16.7660 16.7660 18.2348 18.2348 18.7465 18.7465 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1057 0.8487 ( 3851 PWs) bands (ev): -36.3175 -36.3175 -11.0367 -11.0367 -9.9136 -9.9136 1.6421 1.6421 2.2683 2.2683 4.0078 4.0078 4.6503 4.6503 5.4284 5.4284 5.5182 5.5182 16.1741 16.1741 17.1169 17.1169 18.1611 18.1611 19.1072 19.1072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1057 1.0391 ( 3838 PWs) bands (ev): -36.3187 -36.3187 -11.1106 -11.1106 -9.9219 -9.9219 1.9986 1.9986 2.2159 2.2159 3.8151 3.8151 4.9771 4.9771 5.1166 5.1166 5.5857 5.5857 16.2179 16.2179 17.2738 17.2738 18.8440 18.8440 19.1435 19.1435 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1057-0.8649 ( 3843 PWs) bands (ev): -36.3175 -36.3175 -11.0385 -11.0385 -9.9098 -9.9098 1.6552 1.6552 2.1026 2.1026 4.1150 4.1150 4.7203 4.7203 5.4099 5.4099 5.6000 5.6000 15.7570 15.7570 17.1799 17.1799 18.2257 18.2257 19.3014 19.3014 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1057-0.6745 ( 3842 PWs) bands (ev): -36.3142 -36.3142 -10.8374 -10.8374 -9.8834 -9.8834 1.1744 1.1744 1.8586 1.8586 4.4357 4.4357 4.5544 4.5544 5.3440 5.3440 5.6651 5.6651 15.4878 15.4878 16.7363 16.7363 18.1707 18.1707 19.0726 19.0726 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1057-0.4841 ( 3820 PWs) bands (ev): -36.3098 -36.3098 -10.5579 -10.5579 -9.8574 -9.8574 0.9098 0.9098 1.6698 1.6698 3.9860 3.9860 4.6428 4.6428 5.2317 5.2317 5.4453 5.4453 15.7387 15.7387 17.0001 17.0001 17.9954 17.9954 19.1334 19.1334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1057-0.2937 ( 3822 PWs) bands (ev): -36.3058 -36.3058 -10.2755 -10.2755 -9.8508 -9.8508 0.9487 0.9487 1.7204 1.7204 3.1515 3.1515 4.1910 4.1910 5.1220 5.1220 5.4373 5.4373 16.3114 16.3114 17.7401 17.7401 17.9422 17.9422 19.5107 19.5107 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-1.1057-0.1033 ( 3824 PWs) bands (ev): -36.3034 -36.3034 -10.0694 -10.0694 -9.8816 -9.8816 1.2809 1.2809 2.0015 2.0015 2.3057 2.3057 3.5002 3.5002 5.1506 5.1506 5.4681 5.4681 16.7496 16.7496 17.8029 17.8029 18.7553 18.7553 19.9002 19.9002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9364 0.0000 ( 3829 PWs) bands (ev): -36.3054 -36.3054 -10.3269 -10.3269 -9.7654 -9.7654 1.5124 1.5124 1.9746 1.9746 2.3867 2.3867 3.7048 3.7048 4.8193 4.8193 5.7506 5.7506 16.6015 16.6015 18.7113 18.7113 18.8006 18.8006 19.7421 19.7421 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9364 0.1904 ( 3821 PWs) bands (ev): -36.3058 -36.3058 -10.3256 -10.3256 -9.7958 -9.7958 1.0683 1.0683 1.8228 1.8228 2.9496 2.9496 4.0693 4.0693 4.8568 4.8568 5.6800 5.6800 16.3121 16.3121 17.9437 17.9437 18.5783 18.5783 19.7302 19.7302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9364 0.3808 ( 3814 PWs) bands (ev): -36.3069 -36.3069 -10.3473 -10.3473 -9.8545 -9.8545 0.6934 0.6934 1.5369 1.5369 3.8372 3.8372 4.5294 4.5294 5.0304 5.0304 5.5151 5.5151 15.7469 15.7469 16.8890 16.8890 18.3030 18.3030 19.4460 19.4460 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9364 0.5712 ( 3822 PWs) bands (ev): -36.3084 -36.3084 -10.4350 -10.4350 -9.8762 -9.8762 0.6469 0.6469 1.4911 1.4911 4.3151 4.3151 4.6843 4.6843 5.0762 5.0762 5.5233 5.5233 15.4754 15.4754 16.4679 16.4679 18.1708 18.1708 19.1828 19.1828 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9364 0.7616 ( 3820 PWs) bands (ev): -36.3098 -36.3098 -10.5579 -10.5579 -9.8574 -9.8574 0.9098 0.9098 1.6698 1.6698 3.9860 3.9860 4.6428 4.6428 5.2317 5.2317 5.4453 5.4453 15.7387 15.7387 17.0001 17.0001 17.9954 17.9954 19.1334 19.1334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9364 0.9520 ( 3839 PWs) bands (ev): -36.3106 -36.3106 -10.6413 -10.6413 -9.8372 -9.8372 1.3351 1.3351 1.8095 1.8095 3.5092 3.5092 4.5712 4.5712 5.0767 5.0767 5.4868 5.4868 16.2415 16.2415 17.6021 17.6021 18.1789 18.1789 19.2486 19.2486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9364-0.9520 ( 3839 PWs) bands (ev): -36.3106 -36.3106 -10.6413 -10.6413 -9.8372 -9.8372 1.3351 1.3351 1.8095 1.8095 3.5092 3.5092 4.5712 4.5712 5.0767 5.0767 5.4868 5.4868 16.2415 16.2415 17.6021 17.6021 18.1789 18.1789 19.2486 19.2486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9364-0.7616 ( 3820 PWs) bands (ev): -36.3098 -36.3098 -10.5579 -10.5579 -9.8574 -9.8574 0.9098 0.9098 1.6698 1.6698 3.9860 3.9860 4.6428 4.6428 5.2317 5.2317 5.4453 5.4453 15.7387 15.7387 17.0001 17.0001 17.9954 17.9954 19.1334 19.1334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9364-0.5712 ( 3822 PWs) bands (ev): -36.3084 -36.3084 -10.4350 -10.4350 -9.8762 -9.8762 0.6469 0.6469 1.4911 1.4911 4.3151 4.3151 4.6843 4.6843 5.0762 5.0762 5.5233 5.5233 15.4754 15.4754 16.4679 16.4679 18.1708 18.1708 19.1828 19.1828 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9364-0.3808 ( 3814 PWs) bands (ev): -36.3069 -36.3069 -10.3473 -10.3473 -9.8545 -9.8545 0.6934 0.6934 1.5369 1.5369 3.8372 3.8372 4.5294 4.5294 5.0304 5.0304 5.5151 5.5151 15.7469 15.7469 16.8890 16.8890 18.3030 18.3030 19.4460 19.4460 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.9364-0.1904 ( 3821 PWs) bands (ev): -36.3058 -36.3058 -10.3256 -10.3256 -9.7958 -9.7958 1.0683 1.0683 1.8228 1.8228 2.9496 2.9496 4.0693 4.0693 4.8568 4.8568 5.6800 5.6800 16.3121 16.3121 17.9437 17.9437 18.5783 18.5783 19.7302 19.7302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7671-0.0871 ( 3821 PWs) bands (ev): -36.3106 -36.3106 -10.7254 -10.7254 -9.7319 -9.7319 1.6104 1.6104 2.0398 2.0398 2.8628 2.8628 4.3383 4.3383 4.7293 4.7293 5.9644 5.9644 16.2015 16.2015 18.2900 18.2900 19.0313 19.0313 19.5527 19.5527 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7671 0.1033 ( 3820 PWs) bands (ev): -36.3106 -36.3106 -10.7286 -10.7286 -9.7265 -9.7265 1.6116 1.6116 1.9067 1.9067 2.9435 2.9435 4.4135 4.4135 4.7171 4.7171 6.0070 6.0070 16.0060 16.0060 18.2428 18.2428 18.9831 18.9831 19.6929 19.6929 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7671 0.2937 ( 3817 PWs) bands (ev): -36.3098 -36.3098 -10.6447 -10.6447 -9.7486 -9.7486 1.0281 1.0281 1.6018 1.6018 3.7103 3.7103 4.4032 4.4032 5.1918 5.1918 5.8690 5.8690 15.3855 15.3855 17.0570 17.0570 18.7076 18.7076 19.9990 19.9990 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7671 0.4841 ( 3814 PWs) bands (ev): -36.3084 -36.3084 -10.5054 -10.5054 -9.7899 -9.7899 0.6807 0.6807 1.3645 1.3645 4.2901 4.2901 4.3320 4.3320 5.5492 5.5492 5.5816 5.5816 15.0522 15.0522 16.4811 16.4811 18.3471 18.3471 19.8431 19.8431 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7671 0.6745 ( 3811 PWs) bands (ev): -36.3069 -36.3069 -10.3697 -10.3697 -9.8250 -9.8250 0.6554 0.6554 1.3772 1.3772 3.8612 3.8612 4.6156 4.6156 5.1739 5.1739 5.6391 5.6391 15.3264 15.3264 16.8559 16.8559 17.9567 17.9567 19.7679 19.7679 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7671 0.8649 ( 3816 PWs) bands (ev): -36.3058 -36.3058 -10.2921 -10.2921 -9.8297 -9.8297 0.9144 0.9144 1.6002 1.6002 3.1837 3.1837 4.3483 4.3483 5.0595 5.0595 5.5679 5.5679 16.0309 16.0309 17.4908 17.4908 17.9213 17.9213 19.8130 19.8130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7671-1.0391 ( 3828 PWs) bands (ev): -36.3054 -36.3054 -10.2677 -10.2677 -9.8293 -9.8293 1.1865 1.1865 1.7420 1.7420 2.8351 2.8351 3.9649 3.9649 5.1764 5.1764 5.4474 5.4474 16.6978 16.6978 17.1579 17.1579 18.6405 18.6405 19.7409 19.7409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7671-0.8487 ( 3822 PWs) bands (ev): -36.3058 -36.3058 -10.2755 -10.2755 -9.8508 -9.8508 0.9487 0.9487 1.7204 1.7204 3.1515 3.1515 4.1910 4.1910 5.1220 5.1220 5.4373 5.4373 16.3114 16.3114 17.7401 17.7401 17.9422 17.9422 19.5107 19.5107 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7671-0.6583 ( 3814 PWs) bands (ev): -36.3069 -36.3069 -10.3473 -10.3473 -9.8545 -9.8545 0.6934 0.6934 1.5369 1.5369 3.8372 3.8372 4.5294 4.5294 5.0304 5.0304 5.5151 5.5151 15.7469 15.7469 16.8890 16.8890 18.3030 18.3030 19.4460 19.4460 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7671-0.4679 ( 3824 PWs) bands (ev): -36.3084 -36.3084 -10.4886 -10.4886 -9.8143 -9.8143 0.7151 0.7151 1.5358 1.5358 4.1943 4.1943 4.3450 4.3450 5.3221 5.3221 5.4855 5.4855 15.4826 15.4826 16.5650 16.5650 18.5716 18.5716 19.6628 19.6628 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.7671-0.2775 ( 3822 PWs) bands (ev): -36.3098 -36.3098 -10.6349 -10.6349 -9.7642 -9.7642 1.0563 1.0563 1.7733 1.7733 3.6064 3.6064 4.3718 4.3718 5.0964 5.0964 5.7501 5.7501 15.7783 15.7783 17.1256 17.1256 18.8415 18.8415 19.8582 19.8582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5978-0.1742 ( 3837 PWs) bands (ev): -36.3175 -36.3175 -11.1257 -11.1257 -9.7863 -9.7863 1.8364 1.8364 2.1958 2.1958 3.4017 3.4017 4.5866 4.5866 5.3266 5.3266 6.0168 6.0168 15.6529 15.6529 17.4507 17.4507 19.0975 19.0975 19.7100 19.7100 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5978 0.0162 ( 3841 PWs) bands (ev): -36.3188 -36.3188 -11.1991 -11.1991 -9.7924 -9.7924 2.0413 2.0413 2.4345 2.4345 3.0985 3.0985 4.7632 4.7632 5.0723 5.0723 6.1778 6.1778 15.6022 15.6022 18.0815 18.0815 19.0119 19.0119 19.6109 19.6109 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5978 0.2066 ( 3831 PWs) bands (ev): -36.3175 -36.3175 -11.1284 -11.1284 -9.7797 -9.7797 1.8642 1.8642 1.8855 1.8855 3.6241 3.6241 4.5694 4.5694 5.4472 5.4472 6.1507 6.1507 15.1342 15.1342 17.3353 17.3353 19.1943 19.1943 19.8987 19.8987 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5978 0.3970 ( 3824 PWs) bands (ev): -36.3142 -36.3142 -10.9281 -10.9281 -9.7581 -9.7581 1.2973 1.2973 1.6281 1.6281 4.0217 4.0217 4.4209 4.4209 5.6858 5.6858 5.9912 5.9912 14.8236 14.8236 16.7759 16.7759 18.8688 18.8688 20.1150 20.1150 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5978 0.5874 ( 3820 PWs) bands (ev): -36.3098 -36.3098 -10.6417 -10.6417 -9.7498 -9.7498 0.9876 0.9876 1.4706 1.4706 3.8153 3.8153 4.4686 4.4686 5.2921 5.2921 5.9237 5.9237 15.0952 15.0952 17.0322 17.0322 18.3697 18.3697 20.1043 20.1043 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5978 0.7778 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3359 -10.3359 -9.7791 -9.7791 0.9695 0.9695 1.5609 1.5609 3.0926 3.0926 4.3819 4.3819 4.8909 4.8909 5.7668 5.7668 15.8481 15.8481 17.7414 17.7414 17.9530 17.9530 20.1444 20.1444 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5978-1.1263 ( 3825 PWs) bands (ev): -36.3034 -36.3034 -10.0828 -10.0828 -9.8657 -9.8657 1.1979 1.1979 1.8684 1.8684 2.3911 2.3911 3.6639 3.6639 5.1650 5.1650 5.4980 5.4980 16.7771 16.7771 17.2146 17.2146 18.7693 18.7693 20.1157 20.1157 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5978-0.9359 ( 3824 PWs) bands (ev): -36.3034 -36.3034 -10.0694 -10.0694 -9.8816 -9.8816 1.2809 1.2809 2.0015 2.0015 2.3057 2.3057 3.5002 3.5002 5.1506 5.1506 5.4681 5.4681 16.7496 16.7496 17.8029 17.8029 18.7553 18.7553 19.9002 19.9002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5978-0.7454 ( 3821 PWs) bands (ev): -36.3058 -36.3058 -10.3256 -10.3256 -9.7958 -9.7958 1.0683 1.0683 1.8228 1.8228 2.9496 2.9496 4.0693 4.0693 4.8568 4.8568 5.6800 5.6800 16.3121 16.3121 17.9437 17.9437 18.5783 18.5783 19.7302 19.7302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5978-0.5550 ( 3822 PWs) bands (ev): -36.3098 -36.3098 -10.6349 -10.6349 -9.7642 -9.7642 1.0563 1.0563 1.7733 1.7733 3.6064 3.6064 4.3718 4.3718 5.0964 5.0964 5.7501 5.7501 15.7783 15.7783 17.1256 17.1256 18.8415 18.8415 19.8582 19.8582 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.2727-0.5978-0.3646 ( 3817 PWs) bands (ev): -36.3142 -36.3142 -10.9233 -10.9233 -9.7694 -9.7694 1.3400 1.3400 1.9428 1.9428 3.6868 3.6868 4.5136 4.5136 5.5638 5.5638 5.7026 5.7026 15.5193 15.5193 16.9158 16.9158 18.9870 18.9870 19.8559 19.8559 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5713-0.3485 ( 3829 PWs) bands (ev): -36.3142 -36.3142 -10.9019 -10.9019 -9.8009 -9.8009 1.3197 1.3197 2.1266 2.1266 3.6382 3.6382 4.5490 4.5490 5.5090 5.5090 5.5269 5.5269 15.8892 15.8892 17.1232 17.1232 18.4870 18.4870 19.5742 19.5742 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5713-0.1581 ( 3831 PWs) bands (ev): -36.3175 -36.3175 -11.1050 -11.1050 -9.8176 -9.8176 1.7742 1.7742 2.3849 2.3849 3.3845 3.3845 4.6029 4.6029 5.3200 5.3200 5.8651 5.8651 15.9774 15.9774 17.5600 17.5600 18.5686 18.5686 19.5074 19.5074 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5713 0.0323 ( 3839 PWs) bands (ev): -36.3188 -36.3188 -11.1796 -11.1796 -9.8217 -9.8217 1.9958 1.9958 2.4277 2.4277 3.2274 3.2274 4.7956 4.7956 5.1175 5.1175 6.0516 6.0516 15.6976 15.6976 18.0439 18.0439 18.8651 18.8651 19.3523 19.3523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5713 0.2227 ( 3829 PWs) bands (ev): -36.3175 -36.3175 -11.1099 -11.1099 -9.8063 -9.8063 1.8204 1.8204 1.8356 1.8356 3.7889 3.7889 4.5941 4.5941 5.5104 5.5104 6.0767 6.0767 15.0544 15.0544 17.3165 17.3165 18.9259 18.9259 19.7959 19.7959 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5713 0.4131 ( 3833 PWs) bands (ev): -36.3142 -36.3142 -10.9104 -10.9104 -9.7814 -9.7814 1.2570 1.2570 1.5682 1.5682 4.2375 4.2375 4.3924 4.3924 5.7249 5.7249 5.9821 5.9821 14.6899 14.6899 16.7639 16.7639 18.5648 18.5648 20.0188 20.0188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5713 0.6035 ( 3825 PWs) bands (ev): -36.3098 -36.3098 -10.6266 -10.6266 -9.7676 -9.7676 0.9462 0.9462 1.4094 1.4094 3.8929 3.8929 4.5684 4.5684 5.3614 5.3614 5.8856 5.8856 14.9748 14.9748 17.0198 17.0198 18.0547 18.0547 20.0538 20.0538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5713-1.3005 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3273 -10.3273 -9.7878 -9.7878 0.9294 0.9294 1.5072 1.5072 3.1453 3.1453 4.4672 4.4672 4.9436 4.9436 5.7349 5.7349 15.7886 15.7886 17.4697 17.4697 17.9495 17.9495 20.1728 20.1728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5713-1.1101 ( 3828 PWs) bands (ev): -36.3034 -36.3034 -10.0848 -10.0848 -9.8633 -9.8633 1.1875 1.1875 1.8459 1.8459 2.4031 2.4031 3.6908 3.6908 5.1747 5.1747 5.4943 5.4943 16.8584 16.8584 17.0522 17.0522 18.7709 18.7709 20.1833 20.1833 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5713-0.9197 ( 3824 PWs) bands (ev): -36.3034 -36.3034 -10.0615 -10.0615 -9.8910 -9.8910 1.3393 1.3393 2.0709 2.0709 2.2454 2.2454 3.4193 3.4193 5.1809 5.1809 5.4096 5.4096 16.8424 16.8424 18.0334 18.0334 18.7440 18.7440 19.8263 19.8263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5713-0.7293 ( 3828 PWs) bands (ev): -36.3058 -36.3058 -10.3088 -10.3088 -9.8171 -9.8171 1.0990 1.0990 1.9587 1.9587 2.8913 2.8913 3.9464 3.9464 4.9001 4.9001 5.5682 5.5682 16.6404 16.6404 17.9505 17.9505 18.8735 18.8735 19.4099 19.4099 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.5713-0.5389 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.6144 -10.6144 -9.7924 -9.7924 1.0599 1.0599 1.9337 1.9337 3.5557 3.5557 4.3553 4.3553 5.0457 5.0457 5.6052 5.6052 16.1592 16.1592 17.3036 17.3036 18.5298 18.5298 19.6867 19.6867 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4020-0.4356 ( 3831 PWs) bands (ev): -36.3175 -36.3175 -11.1050 -11.1050 -9.8176 -9.8176 1.7742 1.7742 2.3849 2.3849 3.3845 3.3845 4.6029 4.6029 5.3200 5.3200 5.8651 5.8651 15.9774 15.9774 17.5600 17.5600 18.5686 18.5686 19.5074 19.5074 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4020-0.2452 ( 3837 PWs) bands (ev): -36.3238 -36.3238 -11.4186 -11.4186 -9.9056 -9.9056 2.0939 2.0939 2.6369 2.6369 3.7966 3.7966 4.8042 4.8042 5.7145 5.7145 5.8629 5.8629 15.6037 15.6037 17.0439 17.0439 18.6739 18.6739 19.8237 19.8237 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4020-0.0548 ( 3843 PWs) bands (ev): -36.3276 -36.3276 -11.5898 -11.5898 -9.9647 -9.9647 2.1823 2.1823 3.0746 3.0746 3.8621 3.8621 5.0193 5.0193 5.6555 5.6555 6.0112 6.0112 15.3125 15.3125 17.0022 17.0022 18.8924 18.8924 19.8268 19.8268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4020 0.1356 ( 3829 PWs) bands (ev): -36.3276 -36.3276 -11.5869 -11.5869 -9.9685 -9.9685 2.1402 2.1402 2.9227 2.9227 4.0459 4.0459 4.9787 4.9787 5.7681 5.7681 6.0622 6.0622 14.9616 14.9616 16.9779 16.9779 19.0613 19.0613 19.7720 19.7720 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4020 0.3260 ( 3832 PWs) bands (ev): -36.3238 -36.3238 -11.4081 -11.4081 -9.9192 -9.9192 2.0413 2.0413 2.2956 2.2956 4.2856 4.2856 4.6557 4.6557 5.9035 5.9035 6.0154 6.0154 14.8013 14.8013 16.9230 16.9230 18.9419 18.9419 19.8163 19.8163 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4020 0.5164 ( 3833 PWs) bands (ev): -36.3175 -36.3175 -11.0832 -11.0832 -9.8448 -9.8448 1.7578 1.7578 1.8632 1.8632 3.9508 3.9508 4.6504 4.6504 5.5397 5.5397 5.9082 5.9082 15.1384 15.1384 17.2988 17.2988 18.6155 18.6155 19.6829 19.6829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4020-1.3876 ( 3831 PWs) bands (ev): -36.3106 -36.3106 -10.6751 -10.6751 -9.7933 -9.7933 1.4095 1.4095 1.7027 1.7027 3.3791 3.3791 4.7139 4.7139 4.8654 4.8654 5.7387 5.7387 15.8758 15.8758 17.9034 17.9034 18.1792 18.1792 19.5842 19.5842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4020-1.1972 ( 3821 PWs) bands (ev): -36.3054 -36.3054 -10.2779 -10.2779 -9.8183 -9.8183 1.2328 1.2328 1.7625 1.7625 2.7729 2.7729 3.9407 3.9407 5.1213 5.1213 5.4876 5.4876 16.6947 16.6947 17.3431 17.3431 18.6612 18.6612 19.7482 19.7482 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4020-1.0068 ( 3824 PWs) bands (ev): -36.3034 -36.3034 -10.0694 -10.0694 -9.8816 -9.8816 1.2809 1.2809 2.0015 2.0015 2.3057 2.3057 3.5002 3.5002 5.1506 5.1506 5.4681 5.4681 16.7496 16.7496 17.8029 17.8029 18.7553 18.7553 19.9002 19.9002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4020-0.8164 ( 3831 PWs) bands (ev): -36.3054 -36.3054 -10.3226 -10.3226 -9.7701 -9.7701 1.4835 1.4835 1.9385 1.9385 2.4348 2.4348 3.7367 3.7367 4.8454 4.8454 5.7245 5.7245 16.6165 16.6165 18.5242 18.5242 18.7847 18.7847 19.7796 19.7812 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.4020-0.6260 ( 3832 PWs) bands (ev): -36.3106 -36.3106 -10.7104 -10.7104 -9.7521 -9.7521 1.5618 1.5618 2.1188 2.1188 2.8913 2.8913 4.3129 4.3129 4.7866 4.7866 5.8600 5.8600 16.4118 16.4118 18.3291 18.3291 18.8656 18.8656 19.1992 19.1992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2327-0.5227 ( 3839 PWs) bands (ev): -36.3188 -36.3188 -11.1796 -11.1796 -9.8217 -9.8217 1.9958 1.9958 2.4277 2.4277 3.2274 3.2274 4.7956 4.7956 5.1175 5.1175 6.0516 6.0516 15.6976 15.6976 18.0439 18.0439 18.8651 18.8651 19.3523 19.3523 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2327-0.3323 ( 3843 PWs) bands (ev): -36.3276 -36.3276 -11.5898 -11.5898 -9.9647 -9.9647 2.1823 2.1823 3.0746 3.0746 3.8621 3.8621 5.0193 5.0193 5.6555 5.6555 6.0112 6.0112 15.3125 15.3125 17.0022 17.0022 18.8924 18.8924 19.8268 19.8268 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2327-0.1419 ( 3846 PWs) bands (ev): -36.3343 -36.3343 -11.8659 -11.8659 -10.0873 -10.0873 2.1936 2.1936 3.6486 3.6486 4.6758 4.6758 5.0984 5.0984 5.9397 5.9397 5.9843 5.9843 14.8230 14.8230 16.2564 16.2564 19.0634 19.0634 20.3844 20.3844 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2327 0.0485 ( 3840 PWs) bands (ev): -36.3368 -36.3368 -11.9594 -11.9594 -10.1405 -10.1405 2.2000 2.2000 3.9603 3.9603 4.7420 4.7420 5.3969 5.3969 5.8921 5.8921 6.0371 6.0371 14.5191 14.5191 16.0455 16.0455 19.1131 19.1131 20.6543 20.6543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2327 0.2389 ( 3842 PWs) bands (ev): -36.3343 -36.3343 -11.8528 -11.8528 -10.1098 -10.1098 2.2685 2.2685 3.5025 3.5025 4.8903 4.8903 4.9845 4.9845 5.8919 5.8919 6.0828 6.0828 14.6450 14.6450 16.2854 16.2854 18.9641 18.9641 20.3613 20.3613 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2327 0.4293 ( 3848 PWs) bands (ev): -36.3276 -36.3276 -11.5594 -11.5594 -10.0135 -10.0135 2.3003 2.3003 2.8456 2.8456 4.1506 4.1506 5.0223 5.0223 5.7154 5.7154 5.8687 5.8687 15.2547 15.2547 16.8928 16.8928 18.7945 18.7945 19.7183 19.7183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2327-1.4747 ( 3839 PWs) bands (ev): -36.3187 -36.3187 -11.1268 -11.1268 -9.8988 -9.8988 1.9765 1.9765 2.2837 2.2837 3.6597 3.6597 4.9065 4.9065 5.1701 5.1701 5.6913 5.6913 16.0442 16.0442 17.5440 17.5440 18.9081 18.9081 18.9642 18.9642 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2327-1.2843 ( 3824 PWs) bands (ev): -36.3106 -36.3106 -10.6451 -10.6451 -9.8336 -9.8336 1.3549 1.3549 1.9079 1.9079 3.4310 3.4310 4.4569 4.4569 5.0990 5.0990 5.4679 5.4679 16.4693 16.4693 17.7012 17.7012 18.2533 18.2533 19.0362 19.0362 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2327-1.0939 ( 3822 PWs) bands (ev): -36.3058 -36.3058 -10.2755 -10.2755 -9.8508 -9.8508 0.9487 0.9487 1.7204 1.7204 3.1515 3.1515 4.1910 4.1910 5.1220 5.1220 5.4373 5.4373 16.3114 16.3114 17.7401 17.7401 17.9422 17.9422 19.5107 19.5107 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2327-0.9035 ( 3817 PWs) bands (ev): -36.3058 -36.3058 -10.3354 -10.3354 -9.7820 -9.7820 1.0196 1.0196 1.6751 1.6751 3.0244 3.0244 4.2316 4.2316 4.8572 4.8572 5.7500 5.7500 16.0292 16.0292 17.9483 17.9483 18.1428 18.1428 19.9789 19.9789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.2327-0.7131 ( 3843 PWs) bands (ev): -36.3107 -36.3107 -10.7193 -10.7193 -9.7374 -9.7374 1.5655 1.5655 1.7864 1.7864 3.0813 3.0813 4.5250 4.5250 4.7427 4.7427 5.9760 5.9760 15.8717 15.8717 18.1976 18.1976 18.6973 18.6973 19.7242 19.7243 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0634-0.6099 ( 3829 PWs) bands (ev): -36.3175 -36.3175 -11.1099 -11.1099 -9.8063 -9.8063 1.8204 1.8204 1.8356 1.8356 3.7889 3.7889 4.5941 4.5941 5.5104 5.5104 6.0767 6.0767 15.0544 15.0544 17.3165 17.3165 18.9259 18.9259 19.7959 19.7959 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0634-0.4195 ( 3829 PWs) bands (ev): -36.3276 -36.3276 -11.5869 -11.5869 -9.9685 -9.9685 2.1402 2.1402 2.9227 2.9227 4.0459 4.0459 4.9787 4.9787 5.7681 5.7681 6.0622 6.0622 14.9616 14.9616 16.9779 16.9779 19.0613 19.0613 19.7720 19.7720 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0634-0.2291 ( 3840 PWs) bands (ev): -36.3368 -36.3368 -11.9594 -11.9594 -10.1405 -10.1405 2.2000 2.2000 3.9603 3.9603 4.7420 4.7420 5.3969 5.3969 5.8921 5.8921 6.0371 6.0371 14.5191 14.5191 16.0455 16.0455 19.1131 19.1131 20.6543 20.6543 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0634-0.0387 ( 3840 PWs) bands (ev): -36.3423 -36.3423 -12.1587 -12.1587 -10.2499 -10.2499 2.2062 2.2062 4.6402 4.6402 5.3415 5.3415 5.4797 5.4797 5.9694 5.9694 6.1188 6.1188 13.9944 13.9944 15.4187 15.4187 19.2392 19.2392 21.6415 21.6415 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0634 0.1517 ( 3852 PWs) bands (ev): -36.3423 -36.3423 -12.1513 -12.1513 -10.2637 -10.2637 2.2959 2.2959 4.5584 4.5584 5.2805 5.2805 5.6530 5.6530 5.7655 5.7655 6.1904 6.1904 14.0413 14.0413 15.4489 15.4489 19.1199 19.1199 21.6238 21.6238 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0634 0.3421 ( 3840 PWs) bands (ev): -36.3368 -36.3368 -11.9349 -11.9349 -10.1841 -10.1841 2.4638 2.4638 3.8444 3.8444 4.7602 4.7602 5.4231 5.4231 5.6667 5.6667 6.0163 6.0163 14.8520 14.8520 16.0220 16.0220 18.7538 18.7538 20.6760 20.6760 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0634-1.5619 ( 3840 PWs) bands (ev): -36.3275 -36.3275 -11.5397 -11.5397 -10.0459 -10.0459 2.4089 2.4089 2.9845 2.9845 4.0611 4.0611 5.0340 5.0340 5.5837 5.5837 5.7459 5.7459 15.9961 15.9961 16.5478 16.5478 18.4853 18.4853 19.7041 19.7041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0634-1.3715 ( 3851 PWs) bands (ev): -36.3175 -36.3175 -11.0367 -11.0367 -9.9136 -9.9136 1.6421 1.6421 2.2683 2.2683 4.0078 4.0078 4.6503 4.6503 5.4284 5.4284 5.5182 5.5182 16.1741 16.1741 17.1169 17.1169 18.1611 18.1611 19.1072 19.1072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0634-1.1811 ( 3820 PWs) bands (ev): -36.3098 -36.3098 -10.5579 -10.5579 -9.8574 -9.8574 0.9098 0.9098 1.6698 1.6698 3.9860 3.9860 4.6428 4.6428 5.2317 5.2317 5.4453 5.4453 15.7387 15.7387 17.0001 17.0001 17.9954 17.9954 19.1334 19.1334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0634-0.9907 ( 3811 PWs) bands (ev): -36.3069 -36.3069 -10.3697 -10.3697 -9.8250 -9.8250 0.6554 0.6554 1.3772 1.3772 3.8612 3.8612 4.6156 4.6156 5.1739 5.1739 5.6391 5.6391 15.3264 15.3264 16.8559 16.8559 17.9567 17.9567 19.7679 19.7679 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.0634-0.8003 ( 3820 PWs) bands (ev): -36.3098 -36.3098 -10.6417 -10.6417 -9.7498 -9.7498 0.9876 0.9876 1.4706 1.4706 3.8153 3.8153 4.4686 4.4686 5.2921 5.2921 5.9237 5.9237 15.0952 15.0952 17.0322 17.0322 18.3697 18.3697 20.1043 20.1043 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1059-0.6970 ( 3833 PWs) bands (ev): -36.3142 -36.3142 -10.9104 -10.9104 -9.7814 -9.7814 1.2570 1.2570 1.5682 1.5682 4.2375 4.2375 4.3924 4.3924 5.7249 5.7249 5.9821 5.9821 14.6899 14.6899 16.7639 16.7639 18.5648 18.5648 20.0188 20.0188 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1059-0.5066 ( 3832 PWs) bands (ev): -36.3238 -36.3238 -11.4081 -11.4081 -9.9192 -9.9192 2.0413 2.0413 2.2956 2.2956 4.2856 4.2856 4.6557 4.6557 5.9035 5.9035 6.0154 6.0154 14.8013 14.8013 16.9230 16.9230 18.9419 18.9419 19.8163 19.8163 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1059-0.3162 ( 3842 PWs) bands (ev): -36.3343 -36.3343 -11.8528 -11.8528 -10.1098 -10.1098 2.2685 2.2685 3.5025 3.5025 4.8903 4.8903 4.9845 4.9845 5.8919 5.8919 6.0828 6.0828 14.6450 14.6450 16.2854 16.2854 18.9641 18.9641 20.3613 20.3613 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1059-0.1258 ( 3852 PWs) bands (ev): -36.3423 -36.3423 -12.1513 -12.1513 -10.2637 -10.2637 2.2959 2.2959 4.5584 4.5584 5.2805 5.2805 5.6530 5.6530 5.7655 5.7655 6.1904 6.1904 14.0413 14.0413 15.4489 15.4489 19.1199 19.1199 21.6238 21.6238 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1059 0.0646 ( 3842 PWs) bands (ev): -36.3453 -36.3453 -12.2521 -12.2521 -10.3284 -10.3284 2.3454 2.3454 5.0333 5.0333 5.4149 5.4149 5.4371 5.4371 6.1832 6.1832 6.2095 6.2095 13.6972 13.6972 15.1183 15.1183 19.1908 19.1908 22.2914 22.2914 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1059 0.2550 ( 3845 PWs) bands (ev): -36.3423 -36.3423 -12.1375 -12.1375 -10.2893 -10.2893 2.4913 2.4913 4.4616 4.4616 5.3352 5.3352 5.3804 5.3804 5.8919 5.8919 6.1236 6.1236 14.2506 14.2506 15.4745 15.4745 18.8991 18.8991 21.6925 21.6925 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1059-1.6490 ( 3846 PWs) bands (ev): -36.3343 -36.3343 -11.8215 -11.8215 -10.1643 -10.1643 2.6204 2.6204 3.4867 3.4867 4.7037 4.7037 5.0583 5.0583 5.6433 5.6433 5.9883 5.9883 15.4399 15.4399 16.0527 16.0527 18.4768 18.4768 20.3834 20.3834 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1059-1.4586 ( 3848 PWs) bands (ev): -36.3238 -36.3238 -11.3545 -11.3545 -10.0038 -10.0038 2.1009 2.1009 2.6122 2.6122 4.2992 4.2992 4.7224 4.7224 5.4932 5.4932 5.8170 5.8170 15.9843 15.9843 16.6074 16.6074 18.1969 18.1969 19.7412 19.7412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1059-1.2682 ( 3842 PWs) bands (ev): -36.3142 -36.3142 -10.8374 -10.8374 -9.8834 -9.8834 1.1744 1.1744 1.8586 1.8586 4.4357 4.4357 4.5544 4.5544 5.3440 5.3440 5.6651 5.6651 15.4878 15.4878 16.7363 16.7363 18.1707 18.1707 19.0726 19.0726 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1059-1.0778 ( 3832 PWs) bands (ev): -36.3084 -36.3084 -10.4601 -10.4601 -9.8430 -9.8430 0.6208 0.6208 1.3307 1.3307 4.2689 4.2689 4.7031 4.7031 5.4190 5.4190 5.5863 5.5863 15.0153 15.0153 16.4362 16.4362 17.9041 17.9041 19.5638 19.5638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.1059-0.8874 ( 3825 PWs) bands (ev): -36.3084 -36.3084 -10.5107 -10.5107 -9.7801 -9.7801 0.6470 0.6470 1.2392 1.2392 4.2530 4.2530 4.4777 4.4777 5.6063 5.6063 5.7570 5.7570 14.7241 14.7241 16.4532 16.4532 18.0429 18.0429 19.9999 19.9999 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2752-0.7841 ( 3825 PWs) bands (ev): -36.3098 -36.3098 -10.6266 -10.6266 -9.7676 -9.7676 0.9462 0.9462 1.4094 1.4094 3.8929 3.8929 4.5684 4.5684 5.3614 5.3614 5.8856 5.8856 14.9748 14.9748 17.0198 17.0198 18.0547 18.0547 20.0538 20.0538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2752-0.5937 ( 3833 PWs) bands (ev): -36.3175 -36.3175 -11.0832 -11.0832 -9.8448 -9.8448 1.7578 1.7578 1.8632 1.8632 3.9508 3.9508 4.6504 4.6504 5.5397 5.5397 5.9082 5.9082 15.1384 15.1384 17.2988 17.2988 18.6155 18.6155 19.6829 19.6829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2752-0.4033 ( 3848 PWs) bands (ev): -36.3276 -36.3276 -11.5594 -11.5594 -10.0135 -10.0135 2.3003 2.3003 2.8456 2.8456 4.1506 4.1506 5.0223 5.0223 5.7154 5.7154 5.8687 5.8687 15.2547 15.2547 16.8928 16.8928 18.7945 18.7945 19.7183 19.7183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2752-0.2129 ( 3840 PWs) bands (ev): -36.3368 -36.3368 -11.9349 -11.9349 -10.1841 -10.1841 2.4638 2.4638 3.8444 3.8444 4.7602 4.7602 5.4231 5.4231 5.6667 5.6667 6.0163 6.0163 14.8520 14.8520 16.0220 16.0220 18.7538 18.7538 20.6760 20.6760 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2752-0.0225 ( 3845 PWs) bands (ev): -36.3423 -36.3423 -12.1375 -12.1375 -10.2893 -10.2893 2.4913 2.4913 4.4616 4.4616 5.3352 5.3352 5.3804 5.3804 5.8919 5.8919 6.1236 6.1236 14.2506 14.2506 15.4745 15.4745 18.8991 18.8991 21.6925 21.6925 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2752 0.1679 ( 3845 PWs) bands (ev): -36.3423 -36.3423 -12.1330 -12.1330 -10.2976 -10.2976 2.5608 2.5608 4.3811 4.3811 5.2987 5.2987 5.4933 5.4933 5.7761 5.7761 6.1669 6.1669 14.2830 14.2830 15.4901 15.4901 18.8318 18.8318 21.7040 21.7041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2752-1.7361 ( 3842 PWs) bands (ev): -36.3368 -36.3368 -11.9199 -11.9199 -10.2105 -10.2105 2.6654 2.6654 3.7256 3.7256 4.7973 4.7973 5.4395 5.4395 5.5071 5.5071 6.0087 6.0087 15.1173 15.1173 15.9414 15.9414 18.5573 18.5573 20.6854 20.6854 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2752-1.5457 ( 3843 PWs) bands (ev): -36.3275 -36.3275 -11.5304 -11.5304 -10.0604 -10.0604 2.4917 2.4917 2.8401 2.8401 4.2129 4.2129 5.0484 5.0484 5.4740 5.4740 5.7772 5.7772 16.0982 16.0982 16.3653 16.3653 18.5275 18.5275 19.7053 19.7053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2752-1.3553 ( 3843 PWs) bands (ev): -36.3175 -36.3175 -11.0385 -11.0385 -9.9098 -9.9098 1.6552 1.6552 2.1026 2.1026 4.1150 4.1150 4.7203 4.7203 5.4099 5.4099 5.6000 5.6000 15.7570 15.7570 17.1799 17.1799 18.2257 18.2257 19.3014 19.3014 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2752-1.1649 ( 3830 PWs) bands (ev): -36.3098 -36.3098 -10.5772 -10.5772 -9.8311 -9.8311 0.8991 0.8991 1.5238 1.5238 3.9793 3.9793 4.7126 4.7126 5.3211 5.3211 5.5830 5.5830 15.3221 15.3221 17.0032 17.0032 17.8341 17.8341 19.5357 19.5357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636 0.2752-0.9745 ( 3823 PWs) bands (ev): -36.3069 -36.3069 -10.3852 -10.3852 -9.8039 -9.8039 0.6290 0.6290 1.2645 1.2645 3.8690 3.8690 4.6778 4.6778 5.2848 5.2848 5.7392 5.7392 15.0332 15.0332 16.8411 16.8411 17.7121 17.7121 20.0012 20.0012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.4178 0.0871 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3273 -10.3273 -9.7878 -9.7878 0.9294 0.9294 1.5072 1.5072 3.1453 3.1453 4.4672 4.4672 4.9436 4.9436 5.7349 5.7349 15.7886 15.7886 17.4697 17.4697 17.9495 17.9495 20.1728 20.1728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.4178 0.2775 ( 3831 PWs) bands (ev): -36.3106 -36.3106 -10.6751 -10.6751 -9.7933 -9.7933 1.4095 1.4095 1.7027 1.7027 3.3791 3.3791 4.7139 4.7139 4.8654 4.8654 5.7387 5.7387 15.8758 15.8758 17.9034 17.9034 18.1792 18.1792 19.5842 19.5842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.4178 0.4679 ( 3839 PWs) bands (ev): -36.3187 -36.3187 -11.1268 -11.1268 -9.8988 -9.8988 1.9765 1.9765 2.2837 2.2837 3.6597 3.6597 4.9065 4.9065 5.1701 5.1701 5.6913 5.6913 16.0442 16.0442 17.5440 17.5440 18.9081 18.9081 18.9642 18.9642 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.4178 0.6583 ( 3840 PWs) bands (ev): -36.3275 -36.3275 -11.5397 -11.5397 -10.0459 -10.0459 2.4089 2.4089 2.9845 2.9845 4.0611 4.0611 5.0340 5.0340 5.5837 5.5837 5.7459 5.7459 15.9961 15.9961 16.5478 16.5478 18.4853 18.4853 19.7041 19.7041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.4178 0.8487 ( 3846 PWs) bands (ev): -36.3343 -36.3343 -11.8215 -11.8215 -10.1643 -10.1643 2.6204 2.6204 3.4867 3.4867 4.7037 4.7037 5.0583 5.0583 5.6433 5.6433 5.9883 5.9883 15.4399 15.4399 16.0527 16.0527 18.4768 18.4768 20.3834 20.3834 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.4178 1.0391 ( 3842 PWs) bands (ev): -36.3368 -36.3368 -11.9199 -11.9199 -10.2105 -10.2105 2.6654 2.6654 3.7256 3.7256 4.7973 4.7973 5.4395 5.4395 5.5071 5.5071 6.0087 6.0087 15.1173 15.1173 15.9414 15.9414 18.5573 18.5573 20.6854 20.6854 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.4178-0.8649 ( 3840 PWs) bands (ev): -36.3343 -36.3343 -11.8175 -11.8175 -10.1710 -10.1710 2.6755 2.6755 3.3804 3.3804 4.8532 4.8532 5.0257 5.0257 5.5582 5.5582 6.0285 6.0285 15.3691 15.3691 16.0719 16.0719 18.4848 18.4848 20.3956 20.3956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.4178-0.6745 ( 3843 PWs) bands (ev): -36.3275 -36.3275 -11.5304 -11.5304 -10.0604 -10.0604 2.4917 2.4917 2.8401 2.8401 4.2129 4.2129 5.0484 5.0484 5.4740 5.4740 5.7772 5.7772 16.0982 16.0982 16.3653 16.3653 18.5275 18.5275 19.7053 19.7053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.4178-0.4841 ( 3838 PWs) bands (ev): -36.3187 -36.3187 -11.1106 -11.1106 -9.9219 -9.9219 1.9986 1.9986 2.2159 2.2159 3.8151 3.8151 4.9771 4.9771 5.1166 5.1166 5.5857 5.5857 16.2179 16.2179 17.2738 17.2738 18.8440 18.8440 19.1435 19.1435 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.4178-0.2937 ( 3831 PWs) bands (ev): -36.3106 -36.3106 -10.6529 -10.6529 -9.8218 -9.8218 1.3543 1.3543 1.7369 1.7369 3.4811 3.4811 4.6792 4.6792 4.9744 4.9744 5.5966 5.5966 16.0224 16.0224 17.6770 17.6770 18.1594 18.1594 19.4430 19.4430 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.4178-0.1033 ( 3830 PWs) bands (ev): -36.3058 -36.3058 -10.3114 -10.3114 -9.8063 -9.8063 0.9085 0.9085 1.5230 1.5230 3.1779 3.1779 4.4542 4.4542 5.0019 5.0019 5.6668 5.6668 15.8516 15.8516 17.3819 17.3819 17.9367 17.9367 20.0448 20.0448 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2485 0.0000 ( 3828 PWs) bands (ev): -36.3034 -36.3034 -10.0848 -10.0848 -9.8633 -9.8633 1.1875 1.1875 1.8459 1.8459 2.4031 2.4031 3.6908 3.6908 5.1747 5.1747 5.4943 5.4943 16.8584 16.8584 17.0522 17.0522 18.7709 18.7709 20.1833 20.1833 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2485 0.1904 ( 3821 PWs) bands (ev): -36.3054 -36.3054 -10.2779 -10.2779 -9.8183 -9.8183 1.2328 1.2328 1.7625 1.7625 2.7729 2.7729 3.9407 3.9407 5.1213 5.1213 5.4876 5.4876 16.6947 16.6947 17.3431 17.3431 18.6612 18.6612 19.7482 19.7482 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2485 0.3808 ( 3824 PWs) bands (ev): -36.3106 -36.3106 -10.6451 -10.6451 -9.8336 -9.8336 1.3549 1.3549 1.9079 1.9079 3.4310 3.4310 4.4569 4.4569 5.0990 5.0990 5.4679 5.4679 16.4693 16.4693 17.7012 17.7012 18.2533 18.2533 19.0362 19.0362 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2485 0.5712 ( 3851 PWs) bands (ev): -36.3175 -36.3175 -11.0367 -11.0367 -9.9136 -9.9136 1.6421 1.6421 2.2683 2.2683 4.0078 4.0078 4.6503 4.6503 5.4284 5.4284 5.5182 5.5182 16.1741 16.1741 17.1169 17.1169 18.1611 18.1611 19.1072 19.1072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2485 0.7616 ( 3848 PWs) bands (ev): -36.3238 -36.3238 -11.3545 -11.3545 -10.0038 -10.0038 2.1009 2.1009 2.6122 2.6122 4.2992 4.2992 4.7224 4.7224 5.4932 5.4932 5.8170 5.8170 15.9843 15.9843 16.6074 16.6074 18.1969 18.1969 19.7412 19.7412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2485 0.9520 ( 3843 PWs) bands (ev): -36.3275 -36.3275 -11.5304 -11.5304 -10.0604 -10.0604 2.4917 2.4917 2.8401 2.8401 4.2129 4.2129 5.0484 5.0484 5.4740 5.4740 5.7772 5.7772 16.0982 16.0982 16.3653 16.3653 18.5275 18.5275 19.7053 19.7053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2485-0.9520 ( 3843 PWs) bands (ev): -36.3275 -36.3275 -11.5304 -11.5304 -10.0604 -10.0604 2.4917 2.4917 2.8401 2.8401 4.2129 4.2129 5.0484 5.0484 5.4740 5.4740 5.7772 5.7772 16.0982 16.0982 16.3653 16.3653 18.5275 18.5275 19.7053 19.7053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2485-0.7616 ( 3848 PWs) bands (ev): -36.3238 -36.3238 -11.3545 -11.3545 -10.0038 -10.0038 2.1009 2.1009 2.6122 2.6122 4.2992 4.2992 4.7224 4.7224 5.4932 5.4932 5.8170 5.8170 15.9843 15.9843 16.6074 16.6074 18.1969 18.1969 19.7412 19.7412 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2485-0.5712 ( 3851 PWs) bands (ev): -36.3175 -36.3175 -11.0367 -11.0367 -9.9136 -9.9136 1.6421 1.6421 2.2683 2.2683 4.0078 4.0078 4.6503 4.6503 5.4284 5.4284 5.5182 5.5182 16.1741 16.1741 17.1169 17.1169 18.1611 18.1611 19.1072 19.1072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2485-0.3808 ( 3824 PWs) bands (ev): -36.3106 -36.3106 -10.6451 -10.6451 -9.8336 -9.8336 1.3549 1.3549 1.9079 1.9079 3.4310 3.4310 4.4569 4.4569 5.0990 5.0990 5.4679 5.4679 16.4693 16.4693 17.7012 17.7012 18.2533 18.2533 19.0362 19.0362 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.2485-0.1904 ( 3821 PWs) bands (ev): -36.3054 -36.3054 -10.2779 -10.2779 -9.8183 -9.8183 1.2328 1.2328 1.7625 1.7625 2.7729 2.7729 3.9407 3.9407 5.1213 5.1213 5.4876 5.4876 16.6947 16.6947 17.3431 17.3431 18.6612 18.6612 19.7482 19.7482 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0792-0.0871 ( 3824 PWs) bands (ev): -36.3034 -36.3034 -10.0615 -10.0615 -9.8910 -9.8910 1.3393 1.3393 2.0709 2.0709 2.2454 2.2454 3.4193 3.4193 5.1809 5.1809 5.4096 5.4096 16.8424 16.8424 18.0334 18.0334 18.7440 18.7440 19.8263 19.8263 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0792 0.1033 ( 3824 PWs) bands (ev): -36.3034 -36.3034 -10.0694 -10.0694 -9.8816 -9.8816 1.2809 1.2809 2.0015 2.0015 2.3057 2.3057 3.5002 3.5002 5.1506 5.1506 5.4681 5.4681 16.7496 16.7496 17.8029 17.8029 18.7553 18.7553 19.9002 19.9002 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0792 0.2937 ( 3822 PWs) bands (ev): -36.3058 -36.3058 -10.2755 -10.2755 -9.8508 -9.8508 0.9487 0.9487 1.7204 1.7204 3.1515 3.1515 4.1910 4.1910 5.1220 5.1220 5.4373 5.4373 16.3114 16.3114 17.7401 17.7401 17.9422 17.9422 19.5107 19.5107 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0792 0.4841 ( 3820 PWs) bands (ev): -36.3098 -36.3098 -10.5579 -10.5579 -9.8574 -9.8574 0.9098 0.9098 1.6698 1.6698 3.9860 3.9860 4.6428 4.6428 5.2317 5.2317 5.4453 5.4453 15.7387 15.7387 17.0001 17.0001 17.9954 17.9954 19.1334 19.1334 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0792 0.6745 ( 3842 PWs) bands (ev): -36.3142 -36.3142 -10.8374 -10.8374 -9.8834 -9.8834 1.1744 1.1744 1.8586 1.8586 4.4357 4.4357 4.5544 4.5544 5.3440 5.3440 5.6651 5.6651 15.4878 15.4878 16.7363 16.7363 18.1707 18.1707 19.0726 19.0726 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0792 0.8649 ( 3843 PWs) bands (ev): -36.3175 -36.3175 -11.0385 -11.0385 -9.9098 -9.9098 1.6552 1.6552 2.1026 2.1026 4.1150 4.1150 4.7203 4.7203 5.4099 5.4099 5.6000 5.6000 15.7570 15.7570 17.1799 17.1799 18.2257 18.2257 19.3014 19.3014 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0792-1.0391 ( 3838 PWs) bands (ev): -36.3187 -36.3187 -11.1106 -11.1106 -9.9219 -9.9219 1.9986 1.9986 2.2159 2.2159 3.8151 3.8151 4.9771 4.9771 5.1166 5.1166 5.5857 5.5857 16.2179 16.2179 17.2738 17.2738 18.8440 18.8440 19.1435 19.1435 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0792-0.8487 ( 3851 PWs) bands (ev): -36.3175 -36.3175 -11.0367 -11.0367 -9.9136 -9.9136 1.6421 1.6421 2.2683 2.2683 4.0078 4.0078 4.6503 4.6503 5.4284 5.4284 5.5182 5.5182 16.1741 16.1741 17.1169 17.1169 18.1611 18.1611 19.1072 19.1072 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0792-0.6583 ( 3853 PWs) bands (ev): -36.3142 -36.3142 -10.8341 -10.8341 -9.8900 -9.8900 1.1898 1.1898 2.0380 2.0380 4.3162 4.3162 4.4844 4.4844 5.2535 5.2535 5.6022 5.6022 15.9833 15.9833 16.7660 16.7660 18.2348 18.2348 18.7465 18.7465 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0792-0.4679 ( 3833 PWs) bands (ev): -36.3098 -36.3098 -10.5531 -10.5531 -9.8661 -9.8661 0.9436 0.9436 1.8339 1.8339 3.9263 3.9263 4.4846 4.4846 5.1751 5.1751 5.3667 5.3667 16.1974 16.1974 17.0570 17.0570 18.3275 18.3275 18.6669 18.6669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-1.0792-0.2775 ( 3820 PWs) bands (ev): -36.3058 -36.3058 -10.2681 -10.2681 -9.8616 -9.8616 1.0031 1.0031 1.8577 1.8577 3.0744 3.0744 4.0370 4.0370 5.1975 5.1975 5.2873 5.2873 16.6446 16.6446 17.8541 17.8541 18.2337 18.2337 19.1665 19.1665 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9099-0.1742 ( 3828 PWs) bands (ev): -36.3058 -36.3058 -10.3088 -10.3088 -9.8171 -9.8171 1.0990 1.0990 1.9587 1.9587 2.8913 2.8913 3.9464 3.9464 4.9001 4.9001 5.5682 5.5682 16.6404 16.6404 17.9505 17.9505 18.8735 18.8735 19.4099 19.4099 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9099 0.0162 ( 3831 PWs) bands (ev): -36.3054 -36.3054 -10.3226 -10.3226 -9.7701 -9.7701 1.4835 1.4835 1.9385 1.9385 2.4348 2.4348 3.7367 3.7367 4.8454 4.8454 5.7245 5.7245 16.6165 16.6165 18.5242 18.5242 18.7847 18.7847 19.7750 19.7750 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9099 0.2066 ( 3817 PWs) bands (ev): -36.3058 -36.3058 -10.3354 -10.3354 -9.7820 -9.7820 1.0196 1.0196 1.6751 1.6751 3.0244 3.0244 4.2316 4.2316 4.8572 4.8572 5.7500 5.7500 16.0292 16.0292 17.9483 17.9483 18.1428 18.1428 19.9789 19.9789 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9099 0.3970 ( 3811 PWs) bands (ev): -36.3069 -36.3069 -10.3697 -10.3697 -9.8250 -9.8250 0.6554 0.6554 1.3772 1.3772 3.8612 3.8612 4.6156 4.6156 5.1739 5.1739 5.6391 5.6391 15.3264 15.3264 16.8559 16.8559 17.9567 17.9567 19.7679 19.7679 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9099 0.5874 ( 3832 PWs) bands (ev): -36.3084 -36.3084 -10.4601 -10.4601 -9.8430 -9.8430 0.6208 0.6208 1.3307 1.3307 4.2689 4.2689 4.7031 4.7031 5.4190 5.4190 5.5863 5.5863 15.0153 15.0153 16.4362 16.4362 17.9041 17.9041 19.5638 19.5638 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9099 0.7778 ( 3830 PWs) bands (ev): -36.3098 -36.3098 -10.5772 -10.5772 -9.8311 -9.8311 0.8991 0.8991 1.5238 1.5238 3.9793 3.9793 4.7126 4.7126 5.3211 5.3211 5.5830 5.5830 15.3221 15.3221 17.0032 17.0032 17.8341 17.8341 19.5357 19.5357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9099-1.1263 ( 3831 PWs) bands (ev): -36.3106 -36.3106 -10.6529 -10.6529 -9.8218 -9.8218 1.3543 1.3543 1.7369 1.7369 3.4811 3.4811 4.6792 4.6792 4.9744 4.9744 5.5966 5.5966 16.0224 16.0224 17.6770 17.6770 18.1594 18.1594 19.4430 19.4430 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9099-0.9359 ( 3824 PWs) bands (ev): -36.3106 -36.3106 -10.6451 -10.6451 -9.8336 -9.8336 1.3549 1.3549 1.9079 1.9079 3.4310 3.4310 4.4569 4.4569 5.0990 5.0990 5.4679 5.4679 16.4693 16.4693 17.7012 17.7012 18.2533 18.2533 19.0362 19.0362 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9099-0.7454 ( 3833 PWs) bands (ev): -36.3098 -36.3098 -10.5531 -10.5531 -9.8661 -9.8661 0.9436 0.9436 1.8339 1.8339 3.9263 3.9263 4.4846 4.4846 5.1751 5.1751 5.3667 5.3667 16.1974 16.1974 17.0570 17.0570 18.3275 18.3275 18.6669 18.6669 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9099-0.5550 ( 3828 PWs) bands (ev): -36.3084 -36.3084 -10.4194 -10.4194 -9.8981 -9.8981 0.6839 0.6839 1.6619 1.6619 4.3669 4.3669 4.5993 4.5993 4.7797 4.7797 5.4551 5.4551 15.8901 15.8901 16.6532 16.6532 18.3464 18.3464 18.9302 18.9302 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.9099-0.3646 ( 3818 PWs) bands (ev): -36.3069 -36.3069 -10.3243 -10.3243 -9.8841 -9.8841 0.7316 0.7316 1.7010 1.7010 3.7957 3.7957 4.4316 4.4316 4.9207 4.9207 5.4015 5.4015 16.1572 16.1572 17.0310 17.0310 18.4431 18.4431 19.3004 19.3004 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7406-0.2614 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.6144 -10.6144 -9.7924 -9.7924 1.0599 1.0599 1.9337 1.9337 3.5557 3.5557 4.3553 4.3553 5.0457 5.0457 5.6052 5.6052 16.1592 16.1592 17.3036 17.3036 18.5298 18.5298 19.6867 19.6867 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7406-0.0710 ( 3832 PWs) bands (ev): -36.3106 -36.3106 -10.7104 -10.7104 -9.7521 -9.7521 1.5618 1.5618 2.1188 2.1188 2.8913 2.8913 4.3129 4.3129 4.7866 4.7866 5.8600 5.8600 16.4118 16.4118 18.3291 18.3291 18.8656 18.8656 19.1992 19.1992 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7406 0.1194 ( 3843 PWs) bands (ev): -36.3107 -36.3107 -10.7193 -10.7193 -9.7374 -9.7374 1.5655 1.5655 1.7864 1.7864 3.0813 3.0813 4.5250 4.5250 4.7427 4.7427 5.9760 5.9760 15.8717 15.8717 18.1976 18.1976 18.6973 18.6973 19.7242 19.7242 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7406 0.3098 ( 3820 PWs) bands (ev): -36.3098 -36.3098 -10.6417 -10.6417 -9.7498 -9.7498 0.9876 0.9876 1.4706 1.4706 3.8153 3.8153 4.4686 4.4686 5.2921 5.2921 5.9237 5.9237 15.0952 15.0952 17.0322 17.0322 18.3697 18.3697 20.1043 20.1043 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7406 0.5002 ( 3825 PWs) bands (ev): -36.3084 -36.3084 -10.5107 -10.5107 -9.7801 -9.7801 0.6470 0.6470 1.2392 1.2392 4.2530 4.2530 4.4777 4.4777 5.6063 5.6063 5.7570 5.7570 14.7241 14.7241 16.4532 16.4532 18.0429 18.0429 19.9999 19.9999 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7406 0.6906 ( 3823 PWs) bands (ev): -36.3069 -36.3069 -10.3852 -10.3852 -9.8039 -9.8039 0.6290 0.6290 1.2645 1.2645 3.8690 3.8690 4.6778 4.6778 5.2848 5.2848 5.7392 5.7392 15.0332 15.0332 16.8411 16.8411 17.7121 17.7121 20.0012 20.0012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7406-1.2134 ( 3830 PWs) bands (ev): -36.3058 -36.3058 -10.3114 -10.3114 -9.8063 -9.8063 0.9085 0.9085 1.5230 1.5230 3.1779 3.1779 4.4542 4.4542 5.0019 5.0019 5.6668 5.6668 15.8516 15.8516 17.3819 17.3819 17.9367 17.9367 20.0448 20.0448 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7406-1.0230 ( 3821 PWs) bands (ev): -36.3054 -36.3054 -10.2779 -10.2779 -9.8183 -9.8183 1.2328 1.2328 1.7625 1.7625 2.7729 2.7729 3.9407 3.9407 5.1213 5.1213 5.4876 5.4876 16.6947 16.6947 17.3431 17.3431 18.6612 18.6612 19.7482 19.7482 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7406-0.8326 ( 3820 PWs) bands (ev): -36.3058 -36.3058 -10.2681 -10.2681 -9.8616 -9.8616 1.0031 1.0031 1.8577 1.8577 3.0744 3.0744 4.0370 4.0370 5.1975 5.1975 5.2873 5.2873 16.6446 16.6446 17.8541 17.8541 18.2337 18.2337 19.1665 19.1665 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7406-0.6422 ( 3818 PWs) bands (ev): -36.3069 -36.3069 -10.3243 -10.3243 -9.8841 -9.8841 0.7316 0.7316 1.7010 1.7010 3.7957 3.7957 4.4316 4.4316 4.9207 4.9207 5.4015 5.4015 16.1572 16.1572 17.0310 17.0310 18.4431 18.4431 19.3004 19.3004 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.3636-0.7406-0.4518 ( 3820 PWs) bands (ev): -36.3084 -36.3084 -10.4638 -10.4638 -9.8473 -9.8473 0.7382 0.7382 1.7044 1.7044 4.1222 4.1222 4.3923 4.3923 5.0619 5.0619 5.4234 5.4234 15.8380 15.8380 16.8273 16.8273 18.3665 18.3665 19.7262 19.7262 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7141-0.4356 ( 3809 PWs) bands (ev): -36.3084 -36.3084 -10.4379 -10.4379 -9.8794 -9.8794 0.7402 0.7402 1.8041 1.8041 4.1629 4.1629 4.4172 4.4172 4.8598 4.8598 5.3915 5.3915 15.9965 15.9965 17.3290 17.3290 17.8110 17.8110 19.6825 19.6825 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7141-0.2452 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.5884 -10.5884 -9.8257 -9.8257 1.0349 1.0349 2.0119 2.0119 3.6111 3.6111 4.3499 4.3499 5.0579 5.0579 5.4704 5.4704 16.3989 16.3989 17.6442 17.6442 17.9775 17.9775 19.2594 19.2594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7141-0.0548 ( 3833 PWs) bands (ev): -36.3106 -36.3106 -10.6873 -10.6873 -9.7819 -9.7819 1.4855 1.4855 2.0993 2.0993 3.0447 3.0447 4.3303 4.3303 4.8862 4.8862 5.7177 5.7177 16.5693 16.5693 18.2580 18.2580 18.6521 18.6521 18.8406 18.8406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7141 0.1356 ( 3834 PWs) bands (ev): -36.3106 -36.3106 -10.6998 -10.6998 -9.7619 -9.7619 1.4884 1.4884 1.7165 1.7165 3.2366 3.2366 4.6435 4.6435 4.7919 4.7919 5.8779 5.8779 15.8248 15.8248 18.1346 18.1346 18.3316 18.3316 19.6696 19.6696 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7141 0.3260 ( 3825 PWs) bands (ev): -36.3098 -36.3098 -10.6266 -10.6266 -9.7676 -9.7676 0.9462 0.9462 1.4094 1.4094 3.8929 3.8929 4.5684 4.5684 5.3614 5.3614 5.8856 5.8856 14.9748 14.9748 17.0198 17.0198 18.0547 18.0547 20.0538 20.0538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7141 0.5164 ( 3828 PWs) bands (ev): -36.3084 -36.3084 -10.5035 -10.5035 -9.7874 -9.7874 0.6225 0.6225 1.1881 1.1881 4.2343 4.2343 4.6023 4.6023 5.6325 5.6325 5.7995 5.7995 14.5939 14.5939 16.4382 16.4382 17.8382 17.8382 20.0073 20.0073 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7141-1.3876 ( 3830 PWs) bands (ev): -36.3069 -36.3069 -10.3908 -10.3908 -9.7963 -9.7963 0.6198 0.6198 1.2241 1.2241 3.8701 3.8701 4.7010 4.7010 5.3248 5.3248 5.7784 5.7784 14.9290 14.9290 16.8331 16.8331 17.6295 17.6295 20.0862 20.0862 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7141-1.1972 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3273 -10.3273 -9.7878 -9.7878 0.9294 0.9294 1.5072 1.5072 3.1453 3.1453 4.4672 4.4672 4.9436 4.9436 5.7349 5.7349 15.7886 15.7886 17.4697 17.4697 17.9495 17.9495 20.1728 20.1728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7141-1.0068 ( 3821 PWs) bands (ev): -36.3054 -36.3054 -10.2942 -10.2942 -9.8008 -9.8008 1.3143 1.3143 1.8047 1.8047 2.6667 2.6667 3.8878 3.8878 5.0231 5.0231 5.5654 5.5654 16.6808 16.6808 17.6815 17.6815 18.6987 18.6987 19.7626 19.7626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7141-0.8164 ( 3822 PWs) bands (ev): -36.3058 -36.3058 -10.2735 -10.2735 -9.8573 -9.8573 1.0597 1.0597 1.9751 1.9751 2.9696 2.9696 3.9307 3.9307 5.1217 5.1217 5.3122 5.3122 16.8990 16.8990 17.9108 17.9108 18.6674 18.6674 18.8761 18.8761 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.7141-0.6260 ( 3826 PWs) bands (ev): -36.3069 -36.3069 -10.3090 -10.3090 -9.9033 -9.9033 0.7558 0.7558 1.8099 1.8099 3.7589 3.7589 4.3571 4.3571 4.8772 4.8772 5.3304 5.3304 16.3583 16.3583 17.4037 17.4037 18.0641 18.0641 19.6223 19.6223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5448-0.5227 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.5884 -10.5884 -9.8257 -9.8257 1.0349 1.0349 2.0119 2.0119 3.6111 3.6111 4.3499 4.3499 5.0579 5.0579 5.4704 5.4704 16.3989 16.3989 17.6442 17.6442 17.9775 17.9775 19.2594 19.2594 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5448-0.3323 ( 3843 PWs) bands (ev): -36.3142 -36.3142 -10.8740 -10.8740 -9.8394 -9.8394 1.2765 1.2765 2.2255 2.2255 3.7331 3.7331 4.5554 4.5554 5.3686 5.3686 5.5118 5.5118 16.1407 16.1407 17.4087 17.4087 17.8766 17.8766 19.2160 19.2160 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5448-0.1419 ( 3845 PWs) bands (ev): -36.3175 -36.3175 -11.0776 -11.0776 -9.8575 -9.8575 1.7091 1.7091 2.4743 2.4743 3.4986 3.4986 4.6120 4.6120 5.3605 5.3605 5.6997 5.6997 16.2553 16.2553 17.5986 17.5986 18.0859 18.0859 19.2661 19.2661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5448 0.0485 ( 3841 PWs) bands (ev): -36.3187 -36.3187 -11.1528 -11.1528 -9.8612 -9.8612 1.9711 1.9711 2.3682 2.3682 3.4348 3.4348 4.8448 4.8448 5.1623 5.1623 5.8716 5.8716 15.8503 15.8503 17.8605 17.8605 18.8253 18.8253 19.1001 19.1001 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5448 0.2389 ( 3833 PWs) bands (ev): -36.3175 -36.3175 -11.0832 -11.0832 -9.8448 -9.8448 1.7578 1.7578 1.8632 1.8632 3.9508 3.9508 4.6504 4.6504 5.5397 5.5397 5.9082 5.9082 15.1384 15.1384 17.2988 17.2988 18.6155 18.6155 19.6829 19.6829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5448 0.4293 ( 3832 PWs) bands (ev): -36.3142 -36.3142 -10.8841 -10.8841 -9.8175 -9.8175 1.2161 1.2161 1.5934 1.5934 4.3824 4.3824 4.4398 4.4398 5.7340 5.7340 5.8349 5.8349 14.7659 14.7659 16.7597 16.7597 18.3040 18.3040 19.7976 19.7976 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5448-1.4747 ( 3837 PWs) bands (ev): -36.3098 -36.3098 -10.6029 -10.6029 -9.7975 -9.7975 0.9133 0.9133 1.4297 1.4297 3.9451 3.9451 4.6677 4.6677 5.3755 5.3755 5.7551 5.7551 15.0531 15.0531 17.0105 17.0105 17.8608 17.8608 19.8529 19.8529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5448-1.2843 ( 3830 PWs) bands (ev): -36.3058 -36.3058 -10.3114 -10.3114 -9.8063 -9.8063 0.9085 0.9085 1.5230 1.5230 3.1779 3.1779 4.4542 4.4542 5.0019 5.0019 5.6668 5.6668 15.8516 15.8516 17.3819 17.3819 17.9367 17.9367 20.0448 20.0448 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5448-1.0939 ( 3825 PWs) bands (ev): -36.3034 -36.3034 -10.0828 -10.0828 -9.8657 -9.8657 1.1979 1.1979 1.8684 1.8684 2.3911 2.3911 3.6639 3.6639 5.1650 5.1650 5.4980 5.4980 16.7771 16.7771 17.2146 17.2146 18.7693 18.7693 20.1157 20.1157 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5448-0.9035 ( 3815 PWs) bands (ev): -36.3034 -36.3034 -10.0564 -10.0564 -9.8969 -9.8969 1.3807 1.3807 2.1279 2.1279 2.1857 2.1857 3.3739 3.3739 5.2373 5.2373 5.3346 5.3346 16.9335 16.9335 18.1315 18.1315 18.7373 18.7373 19.7884 19.7884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.5448-0.7131 ( 3818 PWs) bands (ev): -36.3058 -36.3058 -10.2893 -10.2893 -9.8401 -9.8401 1.0967 1.0967 2.0207 2.0207 2.8921 2.8921 3.8971 3.8971 4.9908 4.9908 5.4372 5.4372 16.8924 16.8924 17.9603 17.9603 18.8344 18.8344 19.0711 19.0711 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3755-0.6099 ( 3833 PWs) bands (ev): -36.3106 -36.3106 -10.6873 -10.6873 -9.7819 -9.7819 1.4855 1.4855 2.0993 2.0993 3.0447 3.0447 4.3303 4.3303 4.8862 4.8862 5.7177 5.7177 16.5693 16.5693 18.2580 18.2580 18.6521 18.6521 18.8406 18.8406 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3755-0.4195 ( 3845 PWs) bands (ev): -36.3175 -36.3175 -11.0776 -11.0776 -9.8575 -9.8575 1.7091 1.7091 2.4743 2.4743 3.4986 3.4986 4.6120 4.6120 5.3605 5.3605 5.6997 5.6997 16.2553 16.2553 17.5986 17.5986 18.0859 18.0859 19.2661 19.2661 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3755-0.2291 ( 3841 PWs) bands (ev): -36.3238 -36.3238 -11.3906 -11.3906 -9.9497 -9.9497 2.0809 2.0809 2.7828 2.7828 3.8293 3.8293 4.7963 4.7963 5.7043 5.7043 5.7275 5.7275 15.9394 15.9394 16.9654 16.9654 18.2213 18.2213 19.7186 19.7186 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3755-0.0387 ( 3840 PWs) bands (ev): -36.3276 -36.3276 -11.5623 -11.5623 -10.0098 -10.0098 2.2992 2.2992 3.0775 3.0775 3.9093 3.9093 5.0328 5.0328 5.6684 5.6684 5.8160 5.8160 15.6379 15.6379 16.8723 16.8723 18.5807 18.5807 19.7459 19.7459 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3755 0.1517 ( 3848 PWs) bands (ev): -36.3276 -36.3276 -11.5594 -11.5594 -10.0135 -10.0135 2.3003 2.3003 2.8456 2.8456 4.1506 4.1506 5.0223 5.0223 5.7154 5.7154 5.8687 5.8687 15.2547 15.2547 16.8928 16.8928 18.7945 18.7945 19.7183 19.7183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3755 0.3421 ( 3829 PWs) bands (ev): -36.3238 -36.3238 -11.3804 -11.3804 -9.9627 -9.9627 2.1638 2.1638 2.2549 2.2549 4.4339 4.4339 4.6605 4.6605 5.7650 5.7650 5.8989 5.8989 15.0800 15.0800 16.8869 16.8869 18.6364 18.6364 19.7910 19.7910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3755-1.5619 ( 3846 PWs) bands (ev): -36.3175 -36.3175 -11.0563 -11.0563 -9.8837 -9.8837 1.6972 1.6972 1.9585 1.9585 4.0727 4.0727 4.7167 4.7167 5.5016 5.5016 5.7141 5.7141 15.3834 15.3834 17.2575 17.2575 18.3635 18.3635 19.5273 19.5273 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3755-1.3715 ( 3831 PWs) bands (ev): -36.3106 -36.3106 -10.6529 -10.6529 -9.8218 -9.8218 1.3543 1.3543 1.7369 1.7369 3.4811 3.4811 4.6792 4.6792 4.9744 4.9744 5.5966 5.5966 16.0224 16.0224 17.6770 17.6770 18.1594 18.1594 19.4430 19.4430 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3755-1.1811 ( 3828 PWs) bands (ev): -36.3054 -36.3054 -10.2677 -10.2677 -9.8293 -9.8293 1.1865 1.1865 1.7420 1.7420 2.8351 2.8351 3.9649 3.9649 5.1764 5.1764 5.4474 5.4474 16.6978 16.6978 17.1579 17.1579 18.6405 18.6405 19.7409 19.7409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3755-0.9907 ( 3821 PWs) bands (ev): -36.3034 -36.3034 -10.0773 -10.0773 -9.8723 -9.8723 1.2298 1.2298 1.9272 1.9272 2.3568 2.3568 3.5921 3.5921 5.1495 5.1495 5.4959 5.4959 16.7218 16.7218 17.5006 17.5006 18.7642 18.7642 20.0012 20.0012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.3755-0.8003 ( 3822 PWs) bands (ev): -36.3054 -36.3054 -10.3107 -10.3107 -9.7830 -9.7830 1.4081 1.4081 1.8677 1.8677 2.5435 2.5435 3.8111 3.8111 4.9193 4.9193 5.6550 5.6550 16.6505 16.6505 18.1131 18.1131 18.7446 18.7446 19.7776 19.7776 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2062-0.6970 ( 3834 PWs) bands (ev): -36.3106 -36.3106 -10.6998 -10.6998 -9.7619 -9.7619 1.4884 1.4884 1.7165 1.7165 3.2366 3.2366 4.6435 4.6435 4.7919 4.7919 5.8779 5.8779 15.8248 15.8248 18.1346 18.1346 18.3316 18.3316 19.6696 19.6696 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2062-0.5066 ( 3841 PWs) bands (ev): -36.3187 -36.3187 -11.1528 -11.1528 -9.8612 -9.8612 1.9711 1.9711 2.3682 2.3682 3.4348 3.4348 4.8448 4.8448 5.1623 5.1623 5.8716 5.8716 15.8503 15.8503 17.8605 17.8605 18.8253 18.8253 19.1001 19.1001 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2062-0.3162 ( 3840 PWs) bands (ev): -36.3276 -36.3276 -11.5623 -11.5623 -10.0098 -10.0098 2.2992 2.2992 3.0775 3.0775 3.9093 3.9093 5.0328 5.0328 5.6684 5.6684 5.8160 5.8160 15.6379 15.6379 16.8723 16.8723 18.5807 18.5807 19.7459 19.7459 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2062-0.1258 ( 3832 PWs) bands (ev): -36.3343 -36.3343 -11.8399 -11.8399 -10.1328 -10.1328 2.4246 2.4246 3.6056 3.6056 4.6363 4.6363 5.0862 5.0862 5.7994 5.7994 5.9555 5.9555 15.1645 15.1645 16.1966 16.1966 18.6717 18.6717 20.3767 20.3767 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2062 0.0646 ( 3840 PWs) bands (ev): -36.3368 -36.3368 -11.9349 -11.9349 -10.1841 -10.1841 2.4638 2.4638 3.8444 3.8444 4.7602 4.7602 5.4231 5.4231 5.6667 5.6667 6.0163 6.0163 14.8520 14.8520 16.0220 16.0220 18.7538 18.7538 20.6760 20.6760 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2062 0.2550 ( 3838 PWs) bands (ev): -36.3343 -36.3343 -11.8295 -11.8295 -10.1504 -10.1504 2.5176 2.5176 3.4092 3.4092 4.9300 4.9300 4.9992 4.9992 5.6461 5.6461 6.0630 6.0630 15.0156 15.0156 16.2187 16.2187 18.6581 18.6581 20.3830 20.3830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2062-1.6490 ( 3839 PWs) bands (ev): -36.3275 -36.3275 -11.5380 -11.5380 -10.0481 -10.0481 2.4586 2.4586 2.7814 2.7814 4.2355 4.2355 5.0602 5.0602 5.5279 5.5279 5.8120 5.8120 15.6479 15.6479 16.6816 16.6816 18.6233 18.6233 19.7065 19.7065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2062-1.4586 ( 3838 PWs) bands (ev): -36.3187 -36.3187 -11.1106 -11.1106 -9.9219 -9.9219 1.9986 1.9986 2.2159 2.2159 3.8151 3.8151 4.9771 4.9771 5.1166 5.1166 5.5857 5.5857 16.2179 16.2179 17.2738 17.2738 18.8440 18.8440 19.1435 19.1435 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2062-1.2682 ( 3839 PWs) bands (ev): -36.3106 -36.3106 -10.6413 -10.6413 -9.8372 -9.8372 1.3351 1.3351 1.8095 1.8095 3.5092 3.5092 4.5712 4.5712 5.0767 5.0767 5.4868 5.4868 16.2415 16.2415 17.6021 17.6021 18.1789 18.1789 19.2486 19.2486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2062-1.0778 ( 3816 PWs) bands (ev): -36.3058 -36.3058 -10.2921 -10.2921 -9.8297 -9.8297 0.9144 0.9144 1.6002 1.6002 3.1837 3.1837 4.3483 4.3483 5.0595 5.0595 5.5679 5.5679 16.0309 16.0309 17.4908 17.4908 17.9213 17.9213 19.8130 19.8130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.2062-0.8874 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3359 -10.3359 -9.7791 -9.7791 0.9695 0.9695 1.5609 1.5609 3.0926 3.0926 4.3819 4.3819 4.8909 4.8909 5.7668 5.7668 15.8481 15.8481 17.7414 17.7414 17.9530 17.9530 20.1444 20.1444 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0369-0.7841 ( 3825 PWs) bands (ev): -36.3098 -36.3098 -10.6266 -10.6266 -9.7676 -9.7676 0.9462 0.9462 1.4094 1.4094 3.8929 3.8929 4.5684 4.5684 5.3614 5.3614 5.8856 5.8856 14.9748 14.9748 17.0198 17.0198 18.0547 18.0547 20.0538 20.0538 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0369-0.5937 ( 3833 PWs) bands (ev): -36.3175 -36.3175 -11.0832 -11.0832 -9.8448 -9.8448 1.7578 1.7578 1.8632 1.8632 3.9508 3.9508 4.6504 4.6504 5.5397 5.5397 5.9082 5.9082 15.1384 15.1384 17.2988 17.2988 18.6155 18.6155 19.6829 19.6829 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0369-0.4033 ( 3848 PWs) bands (ev): -36.3276 -36.3276 -11.5594 -11.5594 -10.0135 -10.0135 2.3003 2.3003 2.8456 2.8456 4.1506 4.1506 5.0223 5.0223 5.7154 5.7154 5.8687 5.8687 15.2547 15.2547 16.8928 16.8928 18.7945 18.7945 19.7183 19.7183 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0369-0.2129 ( 3840 PWs) bands (ev): -36.3368 -36.3368 -11.9349 -11.9349 -10.1841 -10.1841 2.4638 2.4638 3.8444 3.8444 4.7602 4.7602 5.4231 5.4231 5.6667 5.6667 6.0163 6.0163 14.8520 14.8520 16.0220 16.0220 18.7538 18.7538 20.6760 20.6760 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0369-0.0225 ( 3845 PWs) bands (ev): -36.3423 -36.3423 -12.1375 -12.1375 -10.2893 -10.2893 2.4913 2.4913 4.4616 4.4616 5.3352 5.3352 5.3804 5.3804 5.8919 5.8919 6.1236 6.1236 14.2506 14.2506 15.4745 15.4745 18.8991 18.8991 21.6925 21.6925 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0369 0.1679 ( 3845 PWs) bands (ev): -36.3423 -36.3423 -12.1330 -12.1330 -10.2976 -10.2976 2.5608 2.5608 4.3811 4.3811 5.2987 5.2987 5.4933 5.4933 5.7761 5.7761 6.1669 6.1669 14.2830 14.2830 15.4901 15.4901 18.8318 18.8318 21.7040 21.7041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0369-1.7361 ( 3842 PWs) bands (ev): -36.3368 -36.3368 -11.9199 -11.9199 -10.2105 -10.2105 2.6654 2.6654 3.7256 3.7256 4.7973 4.7973 5.4395 5.4395 5.5071 5.5071 6.0087 6.0087 15.1173 15.1173 15.9414 15.9414 18.5573 18.5573 20.6854 20.6854 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0369-1.5457 ( 3843 PWs) bands (ev): -36.3275 -36.3275 -11.5304 -11.5304 -10.0604 -10.0604 2.4917 2.4917 2.8401 2.8401 4.2129 4.2129 5.0484 5.0484 5.4740 5.4740 5.7772 5.7772 16.0982 16.0982 16.3653 16.3653 18.5275 18.5275 19.7053 19.7053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0369-1.3553 ( 3843 PWs) bands (ev): -36.3175 -36.3175 -11.0385 -11.0385 -9.9098 -9.9098 1.6552 1.6552 2.1026 2.1026 4.1150 4.1150 4.7203 4.7203 5.4099 5.4099 5.6000 5.6000 15.7570 15.7570 17.1799 17.1799 18.2257 18.2257 19.3014 19.3014 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0369-1.1649 ( 3830 PWs) bands (ev): -36.3098 -36.3098 -10.5772 -10.5772 -9.8311 -9.8311 0.8991 0.8991 1.5238 1.5238 3.9793 3.9793 4.7126 4.7126 5.3211 5.3211 5.5830 5.5830 15.3221 15.3221 17.0032 17.0032 17.8341 17.8341 19.5357 19.5357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.0369-0.9745 ( 3823 PWs) bands (ev): -36.3069 -36.3069 -10.3852 -10.3852 -9.8039 -9.8039 0.6290 0.6290 1.2645 1.2645 3.8690 3.8690 4.6778 4.6778 5.2848 5.2848 5.7392 5.7392 15.0332 15.0332 16.8411 16.8411 17.7121 17.7121 20.0012 20.0012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1324-0.8712 ( 3828 PWs) bands (ev): -36.3084 -36.3084 -10.5035 -10.5035 -9.7874 -9.7874 0.6225 0.6225 1.1881 1.1881 4.2343 4.2343 4.6023 4.6023 5.6325 5.6325 5.7995 5.7995 14.5939 14.5939 16.4382 16.4382 17.8382 17.8382 20.0073 20.0073 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1324-0.6808 ( 3832 PWs) bands (ev): -36.3142 -36.3142 -10.8841 -10.8841 -9.8175 -9.8175 1.2161 1.2161 1.5934 1.5934 4.3824 4.3824 4.4398 4.4398 5.7340 5.7340 5.8349 5.8349 14.7659 14.7659 16.7597 16.7597 18.3040 18.3040 19.7976 19.7976 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1324-0.4904 ( 3829 PWs) bands (ev): -36.3238 -36.3238 -11.3804 -11.3804 -9.9627 -9.9627 2.1638 2.1638 2.2549 2.2549 4.4339 4.4339 4.6605 4.6605 5.7650 5.7650 5.8989 5.8989 15.0800 15.0800 16.8869 16.8869 18.6364 18.6364 19.7910 19.7910 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1324-0.3000 ( 3838 PWs) bands (ev): -36.3343 -36.3343 -11.8295 -11.8295 -10.1504 -10.1504 2.5176 2.5176 3.4092 3.4092 4.9300 4.9300 4.9992 4.9992 5.6461 5.6461 6.0630 6.0630 15.0156 15.0156 16.2187 16.2187 18.6581 18.6581 20.3830 20.3830 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1324-0.1096 ( 3845 PWs) bands (ev): -36.3423 -36.3423 -12.1330 -12.1330 -10.2976 -10.2976 2.5608 2.5608 4.3811 4.3811 5.2987 5.2987 5.4933 5.4933 5.7761 5.7761 6.1669 6.1669 14.2830 14.2830 15.4901 15.4901 18.8318 18.8318 21.7040 21.7040 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1324 0.0808 ( 3836 PWs) bands (ev): -36.3452 -36.3452 -12.2381 -12.2381 -10.3548 -10.3548 2.5735 2.5735 4.7514 4.7514 5.4221 5.4221 5.4443 5.4443 6.1735 6.1735 6.1997 6.1997 13.8569 13.8569 15.1811 15.1811 18.9708 18.9708 22.0901 22.0901 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1324-1.8232 ( 3839 PWs) bands (ev): -36.3423 -36.3423 -12.1277 -12.1277 -10.3072 -10.3072 2.6507 2.6507 4.3233 4.3233 5.3191 5.3191 5.3939 5.3939 5.8266 5.8266 6.1419 6.1419 14.3685 14.3685 15.4946 15.4946 18.7485 18.7485 21.6783 21.6783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1324-1.6328 ( 3840 PWs) bands (ev): -36.3343 -36.3343 -11.8175 -11.8175 -10.1710 -10.1710 2.6755 2.6755 3.3804 3.3804 4.8532 4.8532 5.0257 5.0257 5.5582 5.5582 6.0285 6.0285 15.3691 15.3691 16.0719 16.0719 18.4848 18.4848 20.3956 20.3956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1324-1.4424 ( 3839 PWs) bands (ev): -36.3238 -36.3238 -11.3600 -11.3600 -9.9947 -9.9947 2.1446 2.1446 2.4073 2.4073 4.4702 4.4702 4.6845 4.6845 5.5471 5.5471 5.8665 5.8665 15.4958 15.4958 16.7808 16.7808 18.3813 18.3813 19.8034 19.8034 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1324-1.2520 ( 3837 PWs) bands (ev): -36.3141 -36.3141 -10.8566 -10.8566 -9.8558 -9.8558 1.1848 1.1848 1.6982 1.6982 4.3998 4.3998 4.5716 4.5716 5.5820 5.5820 5.7141 5.7141 15.0466 15.0466 16.7512 16.7512 18.1629 18.1629 19.4667 19.4667 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545 0.1324-1.0616 ( 3828 PWs) bands (ev): -36.3084 -36.3084 -10.4852 -10.4852 -9.8103 -9.8103 0.6126 0.6126 1.2215 1.2215 4.2399 4.2399 4.6795 4.6795 5.6233 5.6233 5.6822 5.6822 14.6970 14.6970 16.4319 16.4319 17.7867 17.7867 19.8530 19.8530 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.5606 0.0000 ( 3830 PWs) bands (ev): -36.3069 -36.3069 -10.3908 -10.3908 -9.7963 -9.7963 0.6198 0.6198 1.2241 1.2241 3.8701 3.8701 4.7010 4.7010 5.3248 5.3248 5.7784 5.7784 14.9290 14.9290 16.8331 16.8331 17.6295 17.6295 20.0862 20.0862 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.5606 0.1904 ( 3837 PWs) bands (ev): -36.3098 -36.3098 -10.6029 -10.6029 -9.7975 -9.7975 0.9133 0.9133 1.4297 1.4297 3.9451 3.9451 4.6677 4.6677 5.3755 5.3755 5.7551 5.7551 15.0531 15.0531 17.0105 17.0105 17.8608 17.8608 19.8529 19.8529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.5606 0.3808 ( 3846 PWs) bands (ev): -36.3175 -36.3175 -11.0563 -11.0563 -9.8837 -9.8837 1.6972 1.6972 1.9585 1.9585 4.0727 4.0727 4.7167 4.7167 5.5016 5.5016 5.7141 5.7141 15.3834 15.3834 17.2575 17.2575 18.3635 18.3635 19.5273 19.5273 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.5606 0.5712 ( 3839 PWs) bands (ev): -36.3275 -36.3275 -11.5380 -11.5380 -10.0481 -10.0481 2.4586 2.4586 2.7814 2.7814 4.2355 4.2355 5.0602 5.0602 5.5279 5.5279 5.8120 5.8120 15.6479 15.6479 16.6816 16.6816 18.6233 18.6233 19.7065 19.7065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.5606 0.7616 ( 3842 PWs) bands (ev): -36.3368 -36.3368 -11.9199 -11.9199 -10.2105 -10.2105 2.6654 2.6654 3.7256 3.7256 4.7973 4.7973 5.4395 5.4395 5.5071 5.5071 6.0087 6.0087 15.1173 15.1173 15.9414 15.9414 18.5573 18.5573 20.6854 20.6854 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.5606 0.9520 ( 3839 PWs) bands (ev): -36.3423 -36.3423 -12.1277 -12.1277 -10.3072 -10.3072 2.6507 2.6507 4.3233 4.3233 5.3191 5.3191 5.3939 5.3939 5.8266 5.8266 6.1419 6.1419 14.3685 14.3685 15.4946 15.4946 18.7485 18.7485 21.6783 21.6783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.5606-0.9520 ( 3839 PWs) bands (ev): -36.3423 -36.3423 -12.1277 -12.1277 -10.3072 -10.3072 2.6507 2.6507 4.3233 4.3233 5.3191 5.3191 5.3939 5.3939 5.8266 5.8266 6.1419 6.1419 14.3685 14.3685 15.4946 15.4946 18.7485 18.7485 21.6783 21.6783 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.5606-0.7616 ( 3842 PWs) bands (ev): -36.3368 -36.3368 -11.9199 -11.9199 -10.2105 -10.2105 2.6654 2.6654 3.7256 3.7256 4.7973 4.7973 5.4395 5.4395 5.5071 5.5071 6.0087 6.0087 15.1173 15.1173 15.9414 15.9414 18.5573 18.5573 20.6854 20.6854 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.5606-0.5712 ( 3839 PWs) bands (ev): -36.3275 -36.3275 -11.5380 -11.5380 -10.0481 -10.0481 2.4586 2.4586 2.7814 2.7814 4.2355 4.2355 5.0602 5.0602 5.5279 5.5279 5.8120 5.8120 15.6479 15.6479 16.6816 16.6816 18.6233 18.6233 19.7065 19.7065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.5606-0.3808 ( 3846 PWs) bands (ev): -36.3175 -36.3175 -11.0563 -11.0563 -9.8837 -9.8837 1.6972 1.6972 1.9585 1.9585 4.0727 4.0727 4.7167 4.7167 5.5016 5.5016 5.7141 5.7141 15.3834 15.3834 17.2575 17.2575 18.3635 18.3635 19.5273 19.5273 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.5606-0.1904 ( 3837 PWs) bands (ev): -36.3098 -36.3098 -10.6029 -10.6029 -9.7975 -9.7975 0.9133 0.9133 1.4297 1.4297 3.9451 3.9451 4.6677 4.6677 5.3755 5.3755 5.7551 5.7551 15.0531 15.0531 17.0105 17.0105 17.8608 17.8608 19.8529 19.8529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3913-0.0871 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3273 -10.3273 -9.7878 -9.7878 0.9294 0.9294 1.5072 1.5072 3.1453 3.1453 4.4672 4.4672 4.9436 4.9436 5.7349 5.7349 15.7886 15.7886 17.4697 17.4697 17.9495 17.9495 20.1728 20.1728 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3913 0.1033 ( 3830 PWs) bands (ev): -36.3058 -36.3058 -10.3114 -10.3114 -9.8063 -9.8063 0.9085 0.9085 1.5230 1.5230 3.1779 3.1779 4.4542 4.4542 5.0019 5.0019 5.6668 5.6668 15.8516 15.8516 17.3819 17.3819 17.9367 17.9367 20.0448 20.0448 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3913 0.2937 ( 3831 PWs) bands (ev): -36.3106 -36.3106 -10.6529 -10.6529 -9.8218 -9.8218 1.3543 1.3543 1.7369 1.7369 3.4811 3.4811 4.6792 4.6792 4.9744 4.9744 5.5966 5.5966 16.0224 16.0224 17.6770 17.6770 18.1594 18.1594 19.4430 19.4430 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3913 0.4841 ( 3838 PWs) bands (ev): -36.3187 -36.3187 -11.1106 -11.1106 -9.9219 -9.9219 1.9986 1.9986 2.2159 2.2159 3.8151 3.8151 4.9771 4.9771 5.1166 5.1166 5.5857 5.5857 16.2179 16.2179 17.2738 17.2738 18.8440 18.8440 19.1435 19.1435 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3913 0.6745 ( 3843 PWs) bands (ev): -36.3275 -36.3275 -11.5304 -11.5304 -10.0604 -10.0604 2.4917 2.4917 2.8401 2.8401 4.2129 4.2129 5.0484 5.0484 5.4740 5.4740 5.7772 5.7772 16.0982 16.0982 16.3653 16.3653 18.5275 18.5275 19.7053 19.7053 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3913 0.8649 ( 3840 PWs) bands (ev): -36.3343 -36.3343 -11.8175 -11.8175 -10.1710 -10.1710 2.6755 2.6755 3.3804 3.3804 4.8532 4.8532 5.0257 5.0257 5.5582 5.5582 6.0285 6.0285 15.3691 15.3691 16.0719 16.0719 18.4848 18.4848 20.3956 20.3956 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3913-1.0391 ( 3842 PWs) bands (ev): -36.3368 -36.3368 -11.9199 -11.9199 -10.2105 -10.2105 2.6654 2.6654 3.7256 3.7256 4.7973 4.7973 5.4395 5.4395 5.5071 5.5071 6.0087 6.0087 15.1173 15.1173 15.9414 15.9414 18.5573 18.5573 20.6854 20.6854 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3913-0.8487 ( 3846 PWs) bands (ev): -36.3343 -36.3343 -11.8215 -11.8215 -10.1643 -10.1643 2.6204 2.6204 3.4867 3.4867 4.7037 4.7037 5.0583 5.0583 5.6433 5.6433 5.9883 5.9883 15.4399 15.4399 16.0527 16.0527 18.4768 18.4768 20.3834 20.3834 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3913-0.6583 ( 3840 PWs) bands (ev): -36.3275 -36.3275 -11.5397 -11.5397 -10.0459 -10.0459 2.4089 2.4089 2.9845 2.9845 4.0611 4.0611 5.0340 5.0340 5.5837 5.5837 5.7459 5.7459 15.9961 15.9961 16.5478 16.5478 18.4853 18.4853 19.7041 19.7041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3913-0.4679 ( 3839 PWs) bands (ev): -36.3187 -36.3187 -11.1268 -11.1268 -9.8988 -9.8988 1.9765 1.9765 2.2837 2.2837 3.6597 3.6597 4.9065 4.9065 5.1701 5.1701 5.6913 5.6913 16.0442 16.0442 17.5440 17.5440 18.9081 18.9081 18.9642 18.9642 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.3913-0.2775 ( 3831 PWs) bands (ev): -36.3106 -36.3106 -10.6751 -10.6751 -9.7933 -9.7933 1.4095 1.4095 1.7027 1.7027 3.3791 3.3791 4.7139 4.7139 4.8654 4.8654 5.7387 5.7387 15.8758 15.8758 17.9034 17.9034 18.1792 18.1792 19.5842 19.5842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.2220-0.1742 ( 3821 PWs) bands (ev): -36.3054 -36.3054 -10.2942 -10.2942 -9.8008 -9.8008 1.3143 1.3143 1.8047 1.8047 2.6667 2.6667 3.8878 3.8878 5.0231 5.0231 5.5654 5.5654 16.6808 16.6808 17.6815 17.6815 18.6987 18.6987 19.7626 19.7626 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.2220 0.0162 ( 3825 PWs) bands (ev): -36.3034 -36.3034 -10.0828 -10.0828 -9.8657 -9.8657 1.1979 1.1979 1.8684 1.8684 2.3911 2.3911 3.6639 3.6639 5.1650 5.1650 5.4980 5.4980 16.7771 16.7771 17.2146 17.2146 18.7693 18.7693 20.1157 20.1157 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.2220 0.2066 ( 3828 PWs) bands (ev): -36.3054 -36.3054 -10.2677 -10.2677 -9.8293 -9.8293 1.1865 1.1865 1.7420 1.7420 2.8351 2.8351 3.9649 3.9649 5.1764 5.1764 5.4474 5.4474 16.6978 16.6978 17.1579 17.1579 18.6405 18.6405 19.7409 19.7409 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.2220 0.3970 ( 3839 PWs) bands (ev): -36.3106 -36.3106 -10.6413 -10.6413 -9.8372 -9.8372 1.3351 1.3351 1.8095 1.8095 3.5092 3.5092 4.5712 4.5712 5.0767 5.0767 5.4868 5.4868 16.2415 16.2415 17.6021 17.6021 18.1789 18.1789 19.2486 19.2486 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.2220 0.5874 ( 3843 PWs) bands (ev): -36.3175 -36.3175 -11.0385 -11.0385 -9.9098 -9.9098 1.6552 1.6552 2.1026 2.1026 4.1150 4.1150 4.7203 4.7203 5.4099 5.4099 5.6000 5.6000 15.7570 15.7570 17.1799 17.1799 18.2257 18.2257 19.3014 19.3014 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.2220 0.7778 ( 3839 PWs) bands (ev): -36.3238 -36.3238 -11.3600 -11.3600 -9.9947 -9.9947 2.1446 2.1446 2.4073 2.4073 4.4702 4.4702 4.6845 4.6845 5.5471 5.5471 5.8665 5.8665 15.4958 15.4958 16.7808 16.7808 18.3813 18.3813 19.8034 19.8034 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.2220-1.1263 ( 3839 PWs) bands (ev): -36.3275 -36.3275 -11.5380 -11.5380 -10.0481 -10.0481 2.4586 2.4586 2.7814 2.7814 4.2355 4.2355 5.0602 5.0602 5.5279 5.5279 5.8120 5.8120 15.6479 15.6479 16.6816 16.6816 18.6233 18.6233 19.7065 19.7065 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.2220-0.9359 ( 3840 PWs) bands (ev): -36.3275 -36.3275 -11.5397 -11.5397 -10.0459 -10.0459 2.4089 2.4089 2.9845 2.9845 4.0611 4.0611 5.0340 5.0340 5.5837 5.5837 5.7459 5.7459 15.9961 15.9961 16.5478 16.5478 18.4853 18.4853 19.7041 19.7041 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.2220-0.7454 ( 3838 PWs) bands (ev): -36.3238 -36.3238 -11.3663 -11.3663 -9.9867 -9.9867 2.0791 2.0791 2.7692 2.7692 4.0208 4.0208 4.7645 4.7645 5.5744 5.5744 5.7639 5.7639 16.2052 16.2052 16.6450 16.6450 18.0992 18.0992 19.6768 19.6768 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.2220-0.5550 ( 3851 PWs) bands (ev): -36.3175 -36.3175 -11.0517 -11.0517 -9.8936 -9.8936 1.6612 1.6612 2.4142 2.4142 3.7506 3.7506 4.6179 4.6179 5.4327 5.4327 5.5462 5.5462 16.3853 16.3853 17.2754 17.2754 18.0697 18.0697 19.0936 19.0936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.2220-0.3646 ( 3833 PWs) bands (ev): -36.3106 -36.3106 -10.6628 -10.6628 -9.8125 -9.8125 1.4093 1.4093 2.0140 2.0140 3.2544 3.2544 4.3775 4.3775 5.0081 5.0081 5.5700 5.5700 16.5997 16.5997 17.9654 17.9654 18.4111 18.4111 18.8580 18.8580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0527-0.2614 ( 3822 PWs) bands (ev): -36.3058 -36.3058 -10.2735 -10.2735 -9.8573 -9.8573 1.0597 1.0597 1.9751 1.9751 2.9696 2.9696 3.9307 3.9307 5.1217 5.1217 5.3122 5.3122 16.8990 16.8990 17.9108 17.9108 18.6674 18.6674 18.8761 18.8761 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0527-0.0710 ( 3815 PWs) bands (ev): -36.3034 -36.3034 -10.0564 -10.0564 -9.8969 -9.8969 1.3807 1.3807 2.1279 2.1279 2.1857 2.1857 3.3739 3.3739 5.2373 5.2373 5.3346 5.3346 16.9335 16.9335 18.1315 18.1315 18.7373 18.7373 19.7884 19.7884 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0527 0.1194 ( 3821 PWs) bands (ev): -36.3034 -36.3034 -10.0773 -10.0773 -9.8723 -9.8723 1.2298 1.2298 1.9272 1.9272 2.3568 2.3568 3.5921 3.5921 5.1495 5.1495 5.4959 5.4959 16.7218 16.7218 17.5006 17.5006 18.7642 18.7642 20.0012 20.0012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0527 0.3098 ( 3816 PWs) bands (ev): -36.3058 -36.3058 -10.2921 -10.2921 -9.8297 -9.8297 0.9144 0.9144 1.6002 1.6002 3.1837 3.1837 4.3483 4.3483 5.0595 5.0595 5.5679 5.5679 16.0309 16.0309 17.4908 17.4908 17.9213 17.9213 19.8130 19.8130 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0527 0.5002 ( 3830 PWs) bands (ev): -36.3098 -36.3098 -10.5772 -10.5772 -9.8311 -9.8311 0.8991 0.8991 1.5238 1.5238 3.9793 3.9793 4.7126 4.7126 5.3211 5.3211 5.5830 5.5830 15.3221 15.3221 17.0032 17.0032 17.8341 17.8341 19.5357 19.5357 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0527 0.6906 ( 3837 PWs) bands (ev): -36.3141 -36.3141 -10.8566 -10.8566 -9.8558 -9.8558 1.1848 1.1848 1.6982 1.6982 4.3998 4.3998 4.5716 4.5716 5.5820 5.5820 5.7141 5.7141 15.0466 15.0466 16.7512 16.7512 18.1629 18.1629 19.4667 19.4667 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0527-1.2134 ( 3846 PWs) bands (ev): -36.3175 -36.3175 -11.0563 -11.0563 -9.8837 -9.8837 1.6972 1.6972 1.9585 1.9585 4.0727 4.0727 4.7167 4.7167 5.5016 5.5016 5.7141 5.7141 15.3834 15.3834 17.2575 17.2575 18.3635 18.3635 19.5273 19.5273 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0527-1.0230 ( 3839 PWs) bands (ev): -36.3187 -36.3187 -11.1268 -11.1268 -9.8988 -9.8988 1.9765 1.9765 2.2837 2.2837 3.6597 3.6597 4.9065 4.9065 5.1701 5.1701 5.6913 5.6913 16.0442 16.0442 17.5440 17.5440 18.9081 18.9081 18.9642 18.9642 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0527-0.8326 ( 3851 PWs) bands (ev): -36.3175 -36.3175 -11.0517 -11.0517 -9.8936 -9.8936 1.6612 1.6612 2.4142 2.4142 3.7506 3.7506 4.6179 4.6179 5.4327 5.4327 5.5462 5.5462 16.3853 16.3853 17.2754 17.2754 18.0697 18.0697 19.0936 19.0936 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0527-0.6422 ( 3842 PWs) bands (ev): -36.3142 -36.3142 -10.8483 -10.8483 -9.8731 -9.8731 1.2275 1.2275 2.1833 2.1833 3.9876 3.9876 4.5297 4.5297 5.2787 5.2787 5.5439 5.5439 16.2269 16.2269 17.0830 17.0830 17.9805 17.9805 18.8635 18.8635 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-1.0527-0.4518 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.5650 -10.5650 -9.8538 -9.8538 0.9906 0.9906 1.9679 1.9679 3.7700 3.7700 4.3787 4.3787 5.1153 5.1153 5.3784 5.3784 16.4448 16.4448 17.3709 17.3709 18.1637 18.1637 18.7751 18.7751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8834-0.3485 ( 3826 PWs) bands (ev): -36.3069 -36.3069 -10.3090 -10.3090 -9.9033 -9.9033 0.7558 0.7558 1.8099 1.8099 3.7589 3.7589 4.3571 4.3571 4.8772 4.8772 5.3304 5.3304 16.3583 16.3583 17.4037 17.4037 18.0641 18.0641 19.6223 19.6223 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8834-0.1581 ( 3818 PWs) bands (ev): -36.3058 -36.3058 -10.2893 -10.2893 -9.8401 -9.8401 1.0967 1.0967 2.0207 2.0207 2.8921 2.8921 3.8971 3.8971 4.9908 4.9908 5.4372 5.4372 16.8924 16.8924 17.9603 17.9603 18.8344 18.8344 19.0711 19.0711 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8834 0.0323 ( 3822 PWs) bands (ev): -36.3054 -36.3054 -10.3107 -10.3107 -9.7830 -9.7830 1.4081 1.4081 1.8677 1.8677 2.5435 2.5435 3.8111 3.8111 4.9193 4.9193 5.6550 5.6550 16.6505 16.6505 18.1131 18.1131 18.7446 18.7446 19.7776 19.7776 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8834 0.2227 ( 3824 PWs) bands (ev): -36.3058 -36.3058 -10.3359 -10.3359 -9.7791 -9.7791 0.9695 0.9695 1.5609 1.5609 3.0926 3.0926 4.3819 4.3819 4.8909 4.8909 5.7668 5.7668 15.8481 15.8481 17.7414 17.7414 17.9530 17.9530 20.1444 20.1444 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8834 0.4131 ( 3823 PWs) bands (ev): -36.3069 -36.3069 -10.3852 -10.3852 -9.8039 -9.8039 0.6290 0.6290 1.2645 1.2645 3.8690 3.8690 4.6778 4.6778 5.2848 5.2848 5.7392 5.7392 15.0332 15.0332 16.8411 16.8411 17.7121 17.7121 20.0012 20.0012 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8834 0.6035 ( 3828 PWs) bands (ev): -36.3084 -36.3084 -10.4852 -10.4852 -9.8103 -9.8103 0.6126 0.6126 1.2215 1.2215 4.2399 4.2399 4.6795 4.6795 5.6233 5.6233 5.6822 5.6822 14.6970 14.6970 16.4319 16.4319 17.7867 17.7867 19.8530 19.8530 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8834-1.3005 ( 3837 PWs) bands (ev): -36.3098 -36.3098 -10.6029 -10.6029 -9.7975 -9.7975 0.9133 0.9133 1.4297 1.4297 3.9451 3.9451 4.6677 4.6677 5.3755 5.3755 5.7551 5.7551 15.0531 15.0531 17.0105 17.0105 17.8608 17.8608 19.8529 19.8529 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8834-1.1101 ( 3831 PWs) bands (ev): -36.3106 -36.3106 -10.6751 -10.6751 -9.7933 -9.7933 1.4095 1.4095 1.7027 1.7027 3.3791 3.3791 4.7139 4.7139 4.8654 4.8654 5.7387 5.7387 15.8758 15.8758 17.9034 17.9034 18.1792 18.1792 19.5842 19.5842 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8834-0.9197 ( 3833 PWs) bands (ev): -36.3106 -36.3106 -10.6628 -10.6628 -9.8125 -9.8125 1.4093 1.4093 2.0140 2.0140 3.2544 3.2544 4.3775 4.3775 5.0081 5.0081 5.5700 5.5700 16.5997 16.5997 17.9654 17.9654 18.4111 18.4111 18.8580 18.8580 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8834-0.7293 ( 3819 PWs) bands (ev): -36.3098 -36.3098 -10.5650 -10.5650 -9.8538 -9.8538 0.9906 0.9906 1.9679 1.9679 3.7700 3.7700 4.3787 4.3787 5.1153 5.1153 5.3784 5.3784 16.4448 16.4448 17.3709 17.3709 18.1637 18.1637 18.7751 18.7751 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 k = 0.4545-0.8834-0.5389 ( 3815 PWs) bands (ev): -36.3084 -36.3084 -10.4205 -10.4205 -9.8992 -9.8992 0.7194 0.7194 1.7855 1.7855 4.3444 4.3444 4.4078 4.4078 4.7531 4.7531 5.4040 5.4040 16.0259 16.0259 17.1664 17.1664 17.9163 17.9163 19.2709 19.2709 occupation numbers 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 the Fermi energy is 7.6458 ev ! total energy = -85.22525414 Ry Harris-Foulkes estimate = -85.22525414 Ry estimated scf accuracy < 6.7E-09 Ry The total energy is the sum of the following terms: one-electron contribution = -20.52502185 Ry hartree contribution = 20.83677181 Ry xc contribution = -21.71734888 Ry ewald contribution = -63.81965522 Ry smearing contrib. (-TS) = 0.00000000 Ry convergence has been achieved in 26 iterations Writing output data file LiAlO2.save init_run : 20.46s CPU 20.82s WALL ( 1 calls) electrons : 1293.85s CPU 1314.06s WALL ( 1 calls) Called by init_run: wfcinit : 20.22s CPU 20.46s WALL ( 1 calls) potinit : 0.02s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 1079.94s CPU 1098.36s WALL ( 26 calls) sum_band : 213.05s CPU 214.78s WALL ( 26 calls) v_of_rho : 0.14s CPU 0.14s WALL ( 27 calls) v_h : 0.01s CPU 0.01s WALL ( 27 calls) v_xc : 0.14s CPU 0.13s WALL ( 27 calls) newd : 0.64s CPU 0.66s WALL ( 27 calls) mix_rho : 0.06s CPU 0.06s WALL ( 26 calls) Called by c_bands: init_us_2 : 2.79s CPU 2.81s WALL ( 35298 calls) cegterg : 1050.66s CPU 1062.11s WALL ( 17316 calls) Called by sum_band: sum_band:bec : 20.79s CPU 20.99s WALL ( 17316 calls) addusdens : 0.43s CPU 0.43s WALL ( 26 calls) Called by *egterg: h_psi : 896.87s CPU 906.65s WALL ( 56823 calls) s_psi : 11.43s CPU 11.59s WALL ( 56823 calls) g_psi : 0.91s CPU 0.85s WALL ( 38841 calls) cdiaghg : 122.13s CPU 123.85s WALL ( 56157 calls) cegterg:over : 12.17s CPU 12.18s WALL ( 38841 calls) cegterg:upda : 9.44s CPU 9.33s WALL ( 38841 calls) cegterg:last : 4.76s CPU 4.64s WALL ( 17316 calls) cdiaghg:chol : 7.36s CPU 7.33s WALL ( 56157 calls) cdiaghg:inve : 1.38s CPU 1.59s WALL ( 56157 calls) cdiaghg:para : 8.98s CPU 8.89s WALL ( 112314 calls) Called by h_psi: h_psi:vloc : 867.70s CPU 877.60s WALL ( 56823 calls) h_psi:vnl : 28.65s CPU 28.51s WALL ( 56823 calls) add_vuspsi : 14.22s CPU 14.24s WALL ( 56823 calls) General routines calbec : 19.02s CPU 18.92s WALL ( 74139 calls) fft : 0.20s CPU 0.18s WALL ( 509 calls) fftw : 991.79s CPU 1001.88s WALL ( 5357964 calls) Parallel routines fft_scatter : 248.94s CPU 251.79s WALL ( 5358473 calls) PWSCF : 22m11.01s CPU 22m48.79s WALL This run was terminated on: 19:50:24 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=