Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:18:35 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 Atomic positions and unit cell read from directory: ./CaAg.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized 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 50 33 9 1552 847 135 Max 51 34 10 1557 860 140 Sum 1813 1215 357 55919 30775 4945 bravais-lattice index = 14 lattice parameter (alat) = 11.4843 a.u. unit-cell volume = 730.0891 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.484273 celldm(2)= 1.000000 celldm(3)= 0.765811 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.777062 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.777062 0.629424 0.000000 ) a(3) = ( 0.000000 0.000000 0.765811 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.234559 -0.000000 ) b(2) = ( 0.000000 1.588753 -0.000000 ) b(3) = ( 0.000000 0.000000 1.305805 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Ca 10.00 40.07800 Ca( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3829056 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3829056 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 390 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0063946 0.0180540 -0.0000000), wk = 0.0025641 k( 3) = ( 0.0127892 0.0361080 -0.0000000), wk = 0.0025641 k( 4) = ( 0.0191839 0.0541620 -0.0000000), wk = 0.0025641 k( 5) = ( 0.0255785 0.0722161 -0.0000000), wk = 0.0025641 k( 6) = ( 0.0319731 0.0902701 -0.0000000), wk = 0.0025641 k( 7) = ( 0.0383677 0.1083241 -0.0000000), wk = 0.0025641 k( 8) = ( 0.0447623 0.1263781 -0.0000000), wk = 0.0025641 k( 9) = ( 0.0511570 0.1444321 -0.0000000), wk = 0.0025641 k( 10) = ( 0.0575516 0.1624861 -0.0000000), wk = 0.0025641 k( 11) = ( 0.0639462 0.1805401 -0.0000000), wk = 0.0025641 k( 12) = ( 0.0703408 0.1985941 -0.0000000), wk = 0.0025641 k( 13) = ( 0.0767355 0.2166481 -0.0000000), wk = 0.0025641 k( 14) = ( 0.0831301 0.2347022 -0.0000000), wk = 0.0025641 k( 15) = ( 0.0895247 0.2527562 -0.0000000), wk = 0.0025641 k( 16) = ( 0.0959193 0.2708102 -0.0000000), wk = 0.0025641 k( 17) = ( 0.1023139 0.2888642 -0.0000000), wk = 0.0025641 k( 18) = ( 0.1087086 0.3069182 -0.0000000), wk = 0.0025641 k( 19) = ( 0.1151032 0.3249722 -0.0000000), wk = 0.0025641 k( 20) = ( 0.1214978 0.3430262 -0.0000000), wk = 0.0025641 k( 21) = ( 0.1278924 0.3610802 -0.0000000), wk = 0.0025641 k( 22) = ( 0.1342870 0.3791342 -0.0000000), wk = 0.0025641 k( 23) = ( 0.1406817 0.3971882 -0.0000000), wk = 0.0025641 k( 24) = ( 0.1470763 0.4152423 -0.0000000), wk = 0.0025641 k( 25) = ( 0.1534709 0.4332963 -0.0000000), wk = 0.0025641 k( 26) = ( 0.1598655 0.4513503 -0.0000000), wk = 0.0025641 k( 27) = ( 0.1662601 0.4694043 -0.0000000), wk = 0.0025641 k( 28) = ( 0.1726548 0.4874583 -0.0000000), wk = 0.0025641 k( 29) = ( 0.1790494 0.5055123 -0.0000000), wk = 0.0025641 k( 30) = ( 0.1854440 0.5235663 -0.0000000), wk = 0.0025641 k( 31) = ( 0.1918386 0.5416203 -0.0000000), wk = 0.0025641 k( 32) = ( 0.1982333 0.5596743 -0.0000000), wk = 0.0025641 k( 33) = ( 0.2046279 0.5777283 -0.0000000), wk = 0.0025641 k( 34) = ( 0.2110225 0.5957824 -0.0000000), wk = 0.0025641 k( 35) = ( 0.2174171 0.6138364 -0.0000000), wk = 0.0025641 k( 36) = ( 0.2238118 0.6318904 -0.0000000), wk = 0.0025641 k( 37) = ( 0.2302064 0.6499444 -0.0000000), wk = 0.0025641 k( 38) = ( 0.2366010 0.6679984 -0.0000000), wk = 0.0025641 k( 39) = ( 0.2429956 0.6860524 -0.0000000), wk = 0.0025641 k( 40) = ( 0.2493902 0.7041064 -0.0000000), wk = 0.0025641 k( 41) = ( 0.2557849 0.7221604 -0.0000000), wk = 0.0025641 k( 42) = ( 0.2621795 0.7402144 -0.0000000), wk = 0.0025641 k( 43) = ( 0.2685741 0.7582684 -0.0000000), wk = 0.0025641 k( 44) = ( 0.2749687 0.7763225 -0.0000000), wk = 0.0025641 k( 45) = ( 0.2813633 0.7943765 -0.0000000), wk = 0.0025641 k( 46) = ( 0.2813633 0.7943765 -0.0000000), wk = 0.0025641 k( 47) = ( 0.2626058 0.7943765 -0.0000000), wk = 0.0025641 k( 48) = ( 0.2438482 0.7943765 -0.0000000), wk = 0.0025641 k( 49) = ( 0.2250907 0.7943765 -0.0000000), wk = 0.0025641 k( 50) = ( 0.2063331 0.7943765 -0.0000000), wk = 0.0025641 k( 51) = ( 0.1875756 0.7943765 -0.0000000), wk = 0.0025641 k( 52) = ( 0.1688180 0.7943765 -0.0000000), wk = 0.0025641 k( 53) = ( 0.1500605 0.7943765 -0.0000000), wk = 0.0025641 k( 54) = ( 0.1313029 0.7943765 -0.0000000), wk = 0.0025641 k( 55) = ( 0.1125453 0.7943765 -0.0000000), wk = 0.0025641 k( 56) = ( 0.0937878 0.7943765 -0.0000000), wk = 0.0025641 k( 57) = ( 0.0750302 0.7943765 -0.0000000), wk = 0.0025641 k( 58) = ( 0.0562727 0.7943765 -0.0000000), wk = 0.0025641 k( 59) = ( 0.0375151 0.7943765 -0.0000000), wk = 0.0025641 k( 60) = ( 0.0187576 0.7943765 -0.0000000), wk = 0.0025641 k( 61) = ( 0.0000000 0.7943765 -0.0000000), wk = 0.0025641 k( 62) = ( 0.0000000 0.7943765 -0.0000000), wk = 0.0025641 k( 63) = ( 0.0000000 0.7943765 0.0192030), wk = 0.0025641 k( 64) = ( 0.0000000 0.7943765 0.0384060), wk = 0.0025641 k( 65) = ( 0.0000000 0.7943765 0.0576090), wk = 0.0025641 k( 66) = ( 0.0000000 0.7943765 0.0768121), wk = 0.0025641 k( 67) = ( 0.0000000 0.7943765 0.0960151), wk = 0.0025641 k( 68) = ( 0.0000000 0.7943765 0.1152181), wk = 0.0025641 k( 69) = ( 0.0000000 0.7943765 0.1344211), wk = 0.0025641 k( 70) = ( 0.0000000 0.7943765 0.1536241), wk = 0.0025641 k( 71) = ( 0.0000000 0.7943765 0.1728271), wk = 0.0025641 k( 72) = ( 0.0000000 0.7943765 0.1920301), wk = 0.0025641 k( 73) = ( 0.0000000 0.7943765 0.2112331), wk = 0.0025641 k( 74) = ( 0.0000000 0.7943765 0.2304362), wk = 0.0025641 k( 75) = ( 0.0000000 0.7943765 0.2496392), wk = 0.0025641 k( 76) = ( 0.0000000 0.7943765 0.2688422), wk = 0.0025641 k( 77) = ( 0.0000000 0.7943765 0.2880452), wk = 0.0025641 k( 78) = ( 0.0000000 0.7943765 0.3072482), wk = 0.0025641 k( 79) = ( 0.0000000 0.7943765 0.3264512), wk = 0.0025641 k( 80) = ( 0.0000000 0.7943765 0.3456542), wk = 0.0025641 k( 81) = ( 0.0000000 0.7943765 0.3648572), wk = 0.0025641 k( 82) = ( 0.0000000 0.7943765 0.3840603), wk = 0.0025641 k( 83) = ( 0.0000000 0.7943765 0.4032633), wk = 0.0025641 k( 84) = ( 0.0000000 0.7943765 0.4224663), wk = 0.0025641 k( 85) = ( 0.0000000 0.7943765 0.4416693), wk = 0.0025641 k( 86) = ( 0.0000000 0.7943765 0.4608723), wk = 0.0025641 k( 87) = ( 0.0000000 0.7943765 0.4800753), wk = 0.0025641 k( 88) = ( 0.0000000 0.7943765 0.4992783), wk = 0.0025641 k( 89) = ( 0.0000000 0.7943765 0.5184813), wk = 0.0025641 k( 90) = ( 0.0000000 0.7943765 0.5376844), wk = 0.0025641 k( 91) = ( 0.0000000 0.7943765 0.5568874), wk = 0.0025641 k( 92) = ( 0.0000000 0.7943765 0.5760904), wk = 0.0025641 k( 93) = ( 0.0000000 0.7943765 0.5952934), wk = 0.0025641 k( 94) = ( 0.0000000 0.7943765 0.6144964), wk = 0.0025641 k( 95) = ( 0.0000000 0.7943765 0.6336994), wk = 0.0025641 k( 96) = ( 0.0000000 0.7943765 0.6529024), wk = 0.0025641 k( 97) = ( 0.0000000 0.7943765 0.6529024), wk = 0.0025641 k( 98) = ( 0.0187576 0.7943765 0.6529024), wk = 0.0025641 k( 99) = ( 0.0375151 0.7943765 0.6529024), wk = 0.0025641 k( 100) = ( 0.0562727 0.7943765 0.6529024), wk = 0.0025641 k( 101) = ( 0.0750302 0.7943765 0.6529024), wk = 0.0025641 k( 102) = ( 0.0937878 0.7943765 0.6529024), wk = 0.0025641 k( 103) = ( 0.1125453 0.7943765 0.6529024), wk = 0.0025641 k( 104) = ( 0.1313029 0.7943765 0.6529024), wk = 0.0025641 k( 105) = ( 0.1500605 0.7943765 0.6529024), wk = 0.0025641 k( 106) = ( 0.1688180 0.7943765 0.6529024), wk = 0.0025641 k( 107) = ( 0.1875756 0.7943765 0.6529024), wk = 0.0025641 k( 108) = ( 0.2063331 0.7943765 0.6529024), wk = 0.0025641 k( 109) = ( 0.2250907 0.7943765 0.6529024), wk = 0.0025641 k( 110) = ( 0.2438482 0.7943765 0.6529024), wk = 0.0025641 k( 111) = ( 0.2626058 0.7943765 0.6529024), wk = 0.0025641 k( 112) = ( 0.2813633 0.7943765 0.6529024), wk = 0.0025641 k( 113) = ( 0.2813633 0.7943765 0.6529024), wk = 0.0025641 k( 114) = ( 0.2749687 0.7763225 0.6529024), wk = 0.0025641 k( 115) = ( 0.2685741 0.7582684 0.6529024), wk = 0.0025641 k( 116) = ( 0.2621795 0.7402144 0.6529024), wk = 0.0025641 k( 117) = ( 0.2557849 0.7221604 0.6529024), wk = 0.0025641 k( 118) = ( 0.2493902 0.7041064 0.6529024), wk = 0.0025641 k( 119) = ( 0.2429956 0.6860524 0.6529024), wk = 0.0025641 k( 120) = ( 0.2366010 0.6679984 0.6529024), wk = 0.0025641 k( 121) = ( 0.2302064 0.6499444 0.6529024), wk = 0.0025641 k( 122) = ( 0.2238118 0.6318904 0.6529024), wk = 0.0025641 k( 123) = ( 0.2174171 0.6138364 0.6529024), wk = 0.0025641 k( 124) = ( 0.2110225 0.5957824 0.6529024), wk = 0.0025641 k( 125) = ( 0.2046279 0.5777283 0.6529024), wk = 0.0025641 k( 126) = ( 0.1982333 0.5596743 0.6529024), wk = 0.0025641 k( 127) = ( 0.1918386 0.5416203 0.6529024), wk = 0.0025641 k( 128) = ( 0.1854440 0.5235663 0.6529024), wk = 0.0025641 k( 129) = ( 0.1790494 0.5055123 0.6529024), wk = 0.0025641 k( 130) = ( 0.1726548 0.4874583 0.6529024), wk = 0.0025641 k( 131) = ( 0.1662601 0.4694043 0.6529024), wk = 0.0025641 k( 132) = ( 0.1598655 0.4513503 0.6529024), wk = 0.0025641 k( 133) = ( 0.1534709 0.4332963 0.6529024), wk = 0.0025641 k( 134) = ( 0.1470763 0.4152423 0.6529024), wk = 0.0025641 k( 135) = ( 0.1406817 0.3971882 0.6529024), wk = 0.0025641 k( 136) = ( 0.1342870 0.3791342 0.6529024), wk = 0.0025641 k( 137) = ( 0.1278924 0.3610802 0.6529024), wk = 0.0025641 k( 138) = ( 0.1214978 0.3430262 0.6529024), wk = 0.0025641 k( 139) = ( 0.1151032 0.3249722 0.6529024), wk = 0.0025641 k( 140) = ( 0.1087086 0.3069182 0.6529024), wk = 0.0025641 k( 141) = ( 0.1023139 0.2888642 0.6529024), wk = 0.0025641 k( 142) = ( 0.0959193 0.2708102 0.6529024), wk = 0.0025641 k( 143) = ( 0.0895247 0.2527562 0.6529024), wk = 0.0025641 k( 144) = ( 0.0831301 0.2347022 0.6529024), wk = 0.0025641 k( 145) = ( 0.0767355 0.2166481 0.6529024), wk = 0.0025641 k( 146) = ( 0.0703408 0.1985941 0.6529024), wk = 0.0025641 k( 147) = ( 0.0639462 0.1805401 0.6529024), wk = 0.0025641 k( 148) = ( 0.0575516 0.1624861 0.6529024), wk = 0.0025641 k( 149) = ( 0.0511570 0.1444321 0.6529024), wk = 0.0025641 k( 150) = ( 0.0447623 0.1263781 0.6529024), wk = 0.0025641 k( 151) = ( 0.0383677 0.1083241 0.6529024), wk = 0.0025641 k( 152) = ( 0.0319731 0.0902701 0.6529024), wk = 0.0025641 k( 153) = ( 0.0255785 0.0722161 0.6529024), wk = 0.0025641 k( 154) = ( 0.0191839 0.0541620 0.6529024), wk = 0.0025641 k( 155) = ( 0.0127892 0.0361080 0.6529024), wk = 0.0025641 k( 156) = ( 0.0063946 0.0180540 0.6529024), wk = 0.0025641 k( 157) = ( 0.0000000 0.0000000 0.6529024), wk = 0.0025641 k( 158) = ( 0.0000000 0.0000000 0.6529024), wk = 0.0025641 k( 159) = ( 0.0000000 0.0000000 0.6336994), wk = 0.0025641 k( 160) = ( 0.0000000 0.0000000 0.6144964), wk = 0.0025641 k( 161) = ( 0.0000000 0.0000000 0.5952934), wk = 0.0025641 k( 162) = ( 0.0000000 0.0000000 0.5760904), wk = 0.0025641 k( 163) = ( 0.0000000 0.0000000 0.5568874), wk = 0.0025641 k( 164) = ( 0.0000000 0.0000000 0.5376844), wk = 0.0025641 k( 165) = ( 0.0000000 0.0000000 0.5184813), wk = 0.0025641 k( 166) = ( 0.0000000 0.0000000 0.4992783), wk = 0.0025641 k( 167) = ( 0.0000000 0.0000000 0.4800753), wk = 0.0025641 k( 168) = ( 0.0000000 0.0000000 0.4608723), wk = 0.0025641 k( 169) = ( 0.0000000 0.0000000 0.4416693), wk = 0.0025641 k( 170) = ( 0.0000000 0.0000000 0.4224663), wk = 0.0025641 k( 171) = ( 0.0000000 0.0000000 0.4032633), wk = 0.0025641 k( 172) = ( 0.0000000 0.0000000 0.3840603), wk = 0.0025641 k( 173) = ( 0.0000000 0.0000000 0.3648572), wk = 0.0025641 k( 174) = ( 0.0000000 0.0000000 0.3456542), wk = 0.0025641 k( 175) = ( 0.0000000 0.0000000 0.3264512), wk = 0.0025641 k( 176) = ( 0.0000000 0.0000000 0.3072482), wk = 0.0025641 k( 177) = ( 0.0000000 0.0000000 0.2880452), wk = 0.0025641 k( 178) = ( 0.0000000 0.0000000 0.2688422), wk = 0.0025641 k( 179) = ( 0.0000000 0.0000000 0.2496392), wk = 0.0025641 k( 180) = ( 0.0000000 0.0000000 0.2304362), wk = 0.0025641 k( 181) = ( 0.0000000 0.0000000 0.2112331), wk = 0.0025641 k( 182) = ( 0.0000000 0.0000000 0.1920301), wk = 0.0025641 k( 183) = ( 0.0000000 0.0000000 0.1728271), wk = 0.0025641 k( 184) = ( 0.0000000 0.0000000 0.1536241), wk = 0.0025641 k( 185) = ( 0.0000000 0.0000000 0.1344211), wk = 0.0025641 k( 186) = ( 0.0000000 0.0000000 0.1152181), wk = 0.0025641 k( 187) = ( 0.0000000 0.0000000 0.0960151), wk = 0.0025641 k( 188) = ( 0.0000000 0.0000000 0.0768121), wk = 0.0025641 k( 189) = ( 0.0000000 0.0000000 0.0576090), wk = 0.0025641 k( 190) = ( 0.0000000 0.0000000 0.0384060), wk = 0.0025641 k( 191) = ( 0.0000000 0.0000000 0.0192030), wk = 0.0025641 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 194) = ( -0.0178571 0.0063249 0.0000000), wk = 0.0025641 k( 195) = ( -0.0357143 0.0126498 0.0000000), wk = 0.0025641 k( 196) = ( -0.0535714 0.0189747 0.0000000), wk = 0.0025641 k( 197) = ( -0.0714286 0.0252996 0.0000000), wk = 0.0025641 k( 198) = ( -0.0892857 0.0316245 0.0000000), wk = 0.0025641 k( 199) = ( -0.1071429 0.0379494 0.0000000), wk = 0.0025641 k( 200) = ( -0.1250000 0.0442742 0.0000000), wk = 0.0025641 k( 201) = ( -0.1428571 0.0505991 0.0000000), wk = 0.0025641 k( 202) = ( -0.1607143 0.0569240 0.0000000), wk = 0.0025641 k( 203) = ( -0.1785714 0.0632489 0.0000000), wk = 0.0025641 k( 204) = ( -0.1964286 0.0695738 0.0000000), wk = 0.0025641 k( 205) = ( -0.2142857 0.0758987 0.0000000), wk = 0.0025641 k( 206) = ( -0.2321429 0.0822236 0.0000000), wk = 0.0025641 k( 207) = ( -0.2500000 0.0885485 0.0000000), wk = 0.0025641 k( 208) = ( -0.2678571 0.0948734 0.0000000), wk = 0.0025641 k( 209) = ( -0.2857143 0.1011983 0.0000000), wk = 0.0025641 k( 210) = ( -0.3035714 0.1075232 0.0000000), wk = 0.0025641 k( 211) = ( -0.3214286 0.1138481 0.0000000), wk = 0.0025641 k( 212) = ( -0.3392857 0.1201729 0.0000000), wk = 0.0025641 k( 213) = ( -0.3571429 0.1264978 0.0000000), wk = 0.0025641 k( 214) = ( -0.3750000 0.1328227 0.0000000), wk = 0.0025641 k( 215) = ( -0.3928571 0.1391476 0.0000000), wk = 0.0025641 k( 216) = ( -0.4107143 0.1454725 0.0000000), wk = 0.0025641 k( 217) = ( -0.4285714 0.1517974 0.0000000), wk = 0.0025641 k( 218) = ( -0.4464286 0.1581223 0.0000000), wk = 0.0025641 k( 219) = ( -0.4642857 0.1644472 0.0000000), wk = 0.0025641 k( 220) = ( -0.4821429 0.1707721 0.0000000), wk = 0.0025641 k( 221) = ( -0.5000000 0.1770970 0.0000000), wk = 0.0025641 k( 222) = ( -0.5000000 0.1770970 0.0000000), wk = 0.0025641 k( 223) = ( -0.4935695 0.1952523 -0.0000000), wk = 0.0025641 k( 224) = ( -0.4871390 0.2134075 -0.0000000), wk = 0.0025641 k( 225) = ( -0.4807085 0.2315628 -0.0000000), wk = 0.0025641 k( 226) = ( -0.4742780 0.2497181 -0.0000000), wk = 0.0025641 k( 227) = ( -0.4678476 0.2678734 -0.0000000), wk = 0.0025641 k( 228) = ( -0.4614171 0.2860286 -0.0000000), wk = 0.0025641 k( 229) = ( -0.4549866 0.3041839 -0.0000000), wk = 0.0025641 k( 230) = ( -0.4485561 0.3223392 -0.0000000), wk = 0.0025641 k( 231) = ( -0.4421256 0.3404945 -0.0000000), wk = 0.0025641 k( 232) = ( -0.4356951 0.3586498 -0.0000000), wk = 0.0025641 k( 233) = ( -0.4292646 0.3768050 -0.0000000), wk = 0.0025641 k( 234) = ( -0.4228341 0.3949603 -0.0000000), wk = 0.0025641 k( 235) = ( -0.4164036 0.4131156 -0.0000000), wk = 0.0025641 k( 236) = ( -0.4099731 0.4312709 -0.0000000), wk = 0.0025641 k( 237) = ( -0.4035427 0.4494262 -0.0000000), wk = 0.0025641 k( 238) = ( -0.3971122 0.4675814 -0.0000000), wk = 0.0025641 k( 239) = ( -0.3906817 0.4857367 -0.0000000), wk = 0.0025641 k( 240) = ( -0.3842512 0.5038920 -0.0000000), wk = 0.0025641 k( 241) = ( -0.3778207 0.5220473 -0.0000000), wk = 0.0025641 k( 242) = ( -0.3713902 0.5402026 -0.0000000), wk = 0.0025641 k( 243) = ( -0.3649597 0.5583578 -0.0000000), wk = 0.0025641 k( 244) = ( -0.3585292 0.5765131 -0.0000000), wk = 0.0025641 k( 245) = ( -0.3520987 0.5946684 -0.0000000), wk = 0.0025641 k( 246) = ( -0.3456682 0.6128237 -0.0000000), wk = 0.0025641 k( 247) = ( -0.3392378 0.6309790 -0.0000000), wk = 0.0025641 k( 248) = ( -0.3328073 0.6491342 -0.0000000), wk = 0.0025641 k( 249) = ( -0.3263768 0.6672895 -0.0000000), wk = 0.0025641 k( 250) = ( -0.3199463 0.6854448 -0.0000000), wk = 0.0025641 k( 251) = ( -0.3135158 0.7036001 -0.0000000), wk = 0.0025641 k( 252) = ( -0.3070853 0.7217554 -0.0000000), wk = 0.0025641 k( 253) = ( -0.3006548 0.7399106 -0.0000000), wk = 0.0025641 k( 254) = ( -0.2942243 0.7580659 -0.0000000), wk = 0.0025641 k( 255) = ( -0.2877938 0.7762212 -0.0000000), wk = 0.0025641 k( 256) = ( -0.2813633 0.7943765 -0.0000000), wk = 0.0025641 k( 257) = ( -0.2813633 0.7943765 -0.0000000), wk = 0.0025641 k( 258) = ( -0.2813633 0.7943765 0.0192030), wk = 0.0025641 k( 259) = ( -0.2813633 0.7943765 0.0384060), wk = 0.0025641 k( 260) = ( -0.2813633 0.7943765 0.0576090), wk = 0.0025641 k( 261) = ( -0.2813633 0.7943765 0.0768121), wk = 0.0025641 k( 262) = ( -0.2813633 0.7943765 0.0960151), wk = 0.0025641 k( 263) = ( -0.2813633 0.7943765 0.1152181), wk = 0.0025641 k( 264) = ( -0.2813633 0.7943765 0.1344211), wk = 0.0025641 k( 265) = ( -0.2813633 0.7943765 0.1536241), wk = 0.0025641 k( 266) = ( -0.2813633 0.7943765 0.1728271), wk = 0.0025641 k( 267) = ( -0.2813633 0.7943765 0.1920301), wk = 0.0025641 k( 268) = ( -0.2813633 0.7943765 0.2112331), wk = 0.0025641 k( 269) = ( -0.2813633 0.7943765 0.2304362), wk = 0.0025641 k( 270) = ( -0.2813633 0.7943765 0.2496392), wk = 0.0025641 k( 271) = ( -0.2813633 0.7943765 0.2688422), wk = 0.0025641 k( 272) = ( -0.2813633 0.7943765 0.2880452), wk = 0.0025641 k( 273) = ( -0.2813633 0.7943765 0.3072482), wk = 0.0025641 k( 274) = ( -0.2813633 0.7943765 0.3264512), wk = 0.0025641 k( 275) = ( -0.2813633 0.7943765 0.3456542), wk = 0.0025641 k( 276) = ( -0.2813633 0.7943765 0.3648572), wk = 0.0025641 k( 277) = ( -0.2813633 0.7943765 0.3840603), wk = 0.0025641 k( 278) = ( -0.2813633 0.7943765 0.4032633), wk = 0.0025641 k( 279) = ( -0.2813633 0.7943765 0.4224663), wk = 0.0025641 k( 280) = ( -0.2813633 0.7943765 0.4416693), wk = 0.0025641 k( 281) = ( -0.2813633 0.7943765 0.4608723), wk = 0.0025641 k( 282) = ( -0.2813633 0.7943765 0.4800753), wk = 0.0025641 k( 283) = ( -0.2813633 0.7943765 0.4992783), wk = 0.0025641 k( 284) = ( -0.2813633 0.7943765 0.5184813), wk = 0.0025641 k( 285) = ( -0.2813633 0.7943765 0.5376844), wk = 0.0025641 k( 286) = ( -0.2813633 0.7943765 0.5568874), wk = 0.0025641 k( 287) = ( -0.2813633 0.7943765 0.5760904), wk = 0.0025641 k( 288) = ( -0.2813633 0.7943765 0.5952934), wk = 0.0025641 k( 289) = ( -0.2813633 0.7943765 0.6144964), wk = 0.0025641 k( 290) = ( -0.2813633 0.7943765 0.6336994), wk = 0.0025641 k( 291) = ( -0.2813633 0.7943765 0.6529024), wk = 0.0025641 k( 292) = ( -0.2813633 0.7943765 0.6529024), wk = 0.0025641 k( 293) = ( -0.2877938 0.7762212 0.6529024), wk = 0.0025641 k( 294) = ( -0.2942243 0.7580659 0.6529024), wk = 0.0025641 k( 295) = ( -0.3006548 0.7399106 0.6529024), wk = 0.0025641 k( 296) = ( -0.3070853 0.7217554 0.6529024), wk = 0.0025641 k( 297) = ( -0.3135158 0.7036001 0.6529024), wk = 0.0025641 k( 298) = ( -0.3199463 0.6854448 0.6529024), wk = 0.0025641 k( 299) = ( -0.3263768 0.6672895 0.6529024), wk = 0.0025641 k( 300) = ( -0.3328073 0.6491342 0.6529024), wk = 0.0025641 k( 301) = ( -0.3392378 0.6309790 0.6529024), wk = 0.0025641 k( 302) = ( -0.3456682 0.6128237 0.6529024), wk = 0.0025641 k( 303) = ( -0.3520987 0.5946684 0.6529024), wk = 0.0025641 k( 304) = ( -0.3585292 0.5765131 0.6529024), wk = 0.0025641 k( 305) = ( -0.3649597 0.5583578 0.6529024), wk = 0.0025641 k( 306) = ( -0.3713902 0.5402026 0.6529024), wk = 0.0025641 k( 307) = ( -0.3778207 0.5220473 0.6529024), wk = 0.0025641 k( 308) = ( -0.3842512 0.5038920 0.6529024), wk = 0.0025641 k( 309) = ( -0.3906817 0.4857367 0.6529024), wk = 0.0025641 k( 310) = ( -0.3971122 0.4675814 0.6529024), wk = 0.0025641 k( 311) = ( -0.4035427 0.4494262 0.6529024), wk = 0.0025641 k( 312) = ( -0.4099731 0.4312709 0.6529024), wk = 0.0025641 k( 313) = ( -0.4164036 0.4131156 0.6529024), wk = 0.0025641 k( 314) = ( -0.4228341 0.3949603 0.6529024), wk = 0.0025641 k( 315) = ( -0.4292646 0.3768050 0.6529024), wk = 0.0025641 k( 316) = ( -0.4356951 0.3586498 0.6529024), wk = 0.0025641 k( 317) = ( -0.4421256 0.3404945 0.6529024), wk = 0.0025641 k( 318) = ( -0.4485561 0.3223392 0.6529024), wk = 0.0025641 k( 319) = ( -0.4549866 0.3041839 0.6529024), wk = 0.0025641 k( 320) = ( -0.4614171 0.2860286 0.6529024), wk = 0.0025641 k( 321) = ( -0.4678476 0.2678734 0.6529024), wk = 0.0025641 k( 322) = ( -0.4742780 0.2497181 0.6529024), wk = 0.0025641 k( 323) = ( -0.4807085 0.2315628 0.6529024), wk = 0.0025641 k( 324) = ( -0.4871390 0.2134075 0.6529024), wk = 0.0025641 k( 325) = ( -0.4935695 0.1952523 0.6529024), wk = 0.0025641 k( 326) = ( -0.5000000 0.1770970 0.6529024), wk = 0.0025641 k( 327) = ( -0.5000000 0.1770970 0.6529024), wk = 0.0025641 k( 328) = ( -0.5000000 0.1770970 0.6336994), wk = 0.0025641 k( 329) = ( -0.5000000 0.1770970 0.6144964), wk = 0.0025641 k( 330) = ( -0.5000000 0.1770970 0.5952934), wk = 0.0025641 k( 331) = ( -0.5000000 0.1770970 0.5760904), wk = 0.0025641 k( 332) = ( -0.5000000 0.1770970 0.5568874), wk = 0.0025641 k( 333) = ( -0.5000000 0.1770970 0.5376844), wk = 0.0025641 k( 334) = ( -0.5000000 0.1770970 0.5184813), wk = 0.0025641 k( 335) = ( -0.5000000 0.1770970 0.4992783), wk = 0.0025641 k( 336) = ( -0.5000000 0.1770970 0.4800753), wk = 0.0025641 k( 337) = ( -0.5000000 0.1770970 0.4608723), wk = 0.0025641 k( 338) = ( -0.5000000 0.1770970 0.4416693), wk = 0.0025641 k( 339) = ( -0.5000000 0.1770970 0.4224663), wk = 0.0025641 k( 340) = ( -0.5000000 0.1770970 0.4032633), wk = 0.0025641 k( 341) = ( -0.5000000 0.1770970 0.3840603), wk = 0.0025641 k( 342) = ( -0.5000000 0.1770970 0.3648572), wk = 0.0025641 k( 343) = ( -0.5000000 0.1770970 0.3456542), wk = 0.0025641 k( 344) = ( -0.5000000 0.1770970 0.3264512), wk = 0.0025641 k( 345) = ( -0.5000000 0.1770970 0.3072482), wk = 0.0025641 k( 346) = ( -0.5000000 0.1770970 0.2880452), wk = 0.0025641 k( 347) = ( -0.5000000 0.1770970 0.2688422), wk = 0.0025641 k( 348) = ( -0.5000000 0.1770970 0.2496392), wk = 0.0025641 k( 349) = ( -0.5000000 0.1770970 0.2304362), wk = 0.0025641 k( 350) = ( -0.5000000 0.1770970 0.2112331), wk = 0.0025641 k( 351) = ( -0.5000000 0.1770970 0.1920301), wk = 0.0025641 k( 352) = ( -0.5000000 0.1770970 0.1728271), wk = 0.0025641 k( 353) = ( -0.5000000 0.1770970 0.1536241), wk = 0.0025641 k( 354) = ( -0.5000000 0.1770970 0.1344211), wk = 0.0025641 k( 355) = ( -0.5000000 0.1770970 0.1152181), wk = 0.0025641 k( 356) = ( -0.5000000 0.1770970 0.0960151), wk = 0.0025641 k( 357) = ( -0.5000000 0.1770970 0.0768121), wk = 0.0025641 k( 358) = ( -0.5000000 0.1770970 0.0576090), wk = 0.0025641 k( 359) = ( -0.5000000 0.1770970 0.0384060), wk = 0.0025641 k( 360) = ( -0.5000000 0.1770970 0.0192030), wk = 0.0025641 k( 361) = ( -0.5000000 0.1770970 0.0000000), wk = 0.0025641 k( 362) = ( 0.0000000 0.0000000 0.6529024), wk = 0.0025641 k( 363) = ( -0.0178571 0.0063249 0.6529024), wk = 0.0025641 k( 364) = ( -0.0357143 0.0126498 0.6529024), wk = 0.0025641 k( 365) = ( -0.0535714 0.0189747 0.6529024), wk = 0.0025641 k( 366) = ( -0.0714286 0.0252996 0.6529024), wk = 0.0025641 k( 367) = ( -0.0892857 0.0316245 0.6529024), wk = 0.0025641 k( 368) = ( -0.1071429 0.0379494 0.6529024), wk = 0.0025641 k( 369) = ( -0.1250000 0.0442742 0.6529024), wk = 0.0025641 k( 370) = ( -0.1428571 0.0505991 0.6529024), wk = 0.0025641 k( 371) = ( -0.1607143 0.0569240 0.6529024), wk = 0.0025641 k( 372) = ( -0.1785714 0.0632489 0.6529024), wk = 0.0025641 k( 373) = ( -0.1964286 0.0695738 0.6529024), wk = 0.0025641 k( 374) = ( -0.2142857 0.0758987 0.6529024), wk = 0.0025641 k( 375) = ( -0.2321429 0.0822236 0.6529024), wk = 0.0025641 k( 376) = ( -0.2500000 0.0885485 0.6529024), wk = 0.0025641 k( 377) = ( -0.2678571 0.0948734 0.6529024), wk = 0.0025641 k( 378) = ( -0.2857143 0.1011983 0.6529024), wk = 0.0025641 k( 379) = ( -0.3035714 0.1075232 0.6529024), wk = 0.0025641 k( 380) = ( -0.3214286 0.1138481 0.6529024), wk = 0.0025641 k( 381) = ( -0.3392857 0.1201729 0.6529024), wk = 0.0025641 k( 382) = ( -0.3571429 0.1264978 0.6529024), wk = 0.0025641 k( 383) = ( -0.3750000 0.1328227 0.6529024), wk = 0.0025641 k( 384) = ( -0.3928571 0.1391476 0.6529024), wk = 0.0025641 k( 385) = ( -0.4107143 0.1454725 0.6529024), wk = 0.0025641 k( 386) = ( -0.4285714 0.1517974 0.6529024), wk = 0.0025641 k( 387) = ( -0.4464286 0.1581223 0.6529024), wk = 0.0025641 k( 388) = ( -0.4642857 0.1644472 0.6529024), wk = 0.0025641 k( 389) = ( -0.4821429 0.1707721 0.6529024), wk = 0.0025641 k( 390) = ( -0.5000000 0.1770970 0.6529024), wk = 0.0025641 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 2) = ( 0.0063946 0.0063946 0.0000000), wk = 0.0025641 k( 3) = ( 0.0127892 0.0127892 0.0000000), wk = 0.0025641 k( 4) = ( 0.0191839 0.0191839 0.0000000), wk = 0.0025641 k( 5) = ( 0.0255785 0.0255785 -0.0000000), wk = 0.0025641 k( 6) = ( 0.0319731 0.0319731 -0.0000000), wk = 0.0025641 k( 7) = ( 0.0383677 0.0383677 0.0000000), wk = 0.0025641 k( 8) = ( 0.0447623 0.0447624 -0.0000000), wk = 0.0025641 k( 9) = ( 0.0511570 0.0511570 0.0000000), wk = 0.0025641 k( 10) = ( 0.0575516 0.0575516 0.0000000), wk = 0.0025641 k( 11) = ( 0.0639462 0.0639462 -0.0000000), wk = 0.0025641 k( 12) = ( 0.0703408 0.0703408 0.0000000), wk = 0.0025641 k( 13) = ( 0.0767355 0.0767355 0.0000000), wk = 0.0025641 k( 14) = ( 0.0831301 0.0831301 0.0000000), wk = 0.0025641 k( 15) = ( 0.0895247 0.0895247 -0.0000000), wk = 0.0025641 k( 16) = ( 0.0959193 0.0959193 0.0000000), wk = 0.0025641 k( 17) = ( 0.1023139 0.1023139 0.0000000), wk = 0.0025641 k( 18) = ( 0.1087086 0.1087086 -0.0000000), wk = 0.0025641 k( 19) = ( 0.1151032 0.1151032 0.0000000), wk = 0.0025641 k( 20) = ( 0.1214978 0.1214978 -0.0000000), wk = 0.0025641 k( 21) = ( 0.1278924 0.1278924 -0.0000000), wk = 0.0025641 k( 22) = ( 0.1342870 0.1342871 -0.0000000), wk = 0.0025641 k( 23) = ( 0.1406817 0.1406817 -0.0000000), wk = 0.0025641 k( 24) = ( 0.1470763 0.1470763 -0.0000000), wk = 0.0025641 k( 25) = ( 0.1534709 0.1534709 0.0000000), wk = 0.0025641 k( 26) = ( 0.1598655 0.1598655 0.0000000), wk = 0.0025641 k( 27) = ( 0.1662601 0.1662601 -0.0000000), wk = 0.0025641 k( 28) = ( 0.1726548 0.1726548 0.0000000), wk = 0.0025641 k( 29) = ( 0.1790494 0.1790494 -0.0000000), wk = 0.0025641 k( 30) = ( 0.1854440 0.1854440 -0.0000000), wk = 0.0025641 k( 31) = ( 0.1918386 0.1918386 0.0000000), wk = 0.0025641 k( 32) = ( 0.1982333 0.1982333 -0.0000000), wk = 0.0025641 k( 33) = ( 0.2046279 0.2046279 0.0000000), wk = 0.0025641 k( 34) = ( 0.2110225 0.2110225 0.0000000), wk = 0.0025641 k( 35) = ( 0.2174171 0.2174171 -0.0000000), wk = 0.0025641 k( 36) = ( 0.2238118 0.2238118 0.0000000), wk = 0.0025641 k( 37) = ( 0.2302064 0.2302064 0.0000000), wk = 0.0025641 k( 38) = ( 0.2366010 0.2366010 -0.0000000), wk = 0.0025641 k( 39) = ( 0.2429956 0.2429956 -0.0000000), wk = 0.0025641 k( 40) = ( 0.2493902 0.2493902 0.0000000), wk = 0.0025641 k( 41) = ( 0.2557849 0.2557849 0.0000000), wk = 0.0025641 k( 42) = ( 0.2621795 0.2621795 0.0000000), wk = 0.0025641 k( 43) = ( 0.2685741 0.2685741 -0.0000000), wk = 0.0025641 k( 44) = ( 0.2749687 0.2749687 0.0000000), wk = 0.0025641 k( 45) = ( 0.2813633 0.2813633 -0.0000000), wk = 0.0025641 k( 46) = ( 0.2813633 0.2813633 -0.0000000), wk = 0.0025641 k( 47) = ( 0.2626058 0.2959391 0.0000000), wk = 0.0025641 k( 48) = ( 0.2438482 0.3105149 -0.0000000), wk = 0.0025641 k( 49) = ( 0.2250907 0.3250907 0.0000000), wk = 0.0025641 k( 50) = ( 0.2063331 0.3396665 -0.0000000), wk = 0.0025641 k( 51) = ( 0.1875756 0.3542422 -0.0000000), wk = 0.0025641 k( 52) = ( 0.1688180 0.3688180 0.0000000), wk = 0.0025641 k( 53) = ( 0.1500605 0.3833938 0.0000000), wk = 0.0025641 k( 54) = ( 0.1313029 0.3979696 0.0000000), wk = 0.0025641 k( 55) = ( 0.1125453 0.4125453 -0.0000000), wk = 0.0025641 k( 56) = ( 0.0937878 0.4271211 0.0000000), wk = 0.0025641 k( 57) = ( 0.0750302 0.4416969 0.0000000), wk = 0.0025641 k( 58) = ( 0.0562727 0.4562727 0.0000000), wk = 0.0025641 k( 59) = ( 0.0375151 0.4708484 0.0000000), wk = 0.0025641 k( 60) = ( 0.0187576 0.4854242 -0.0000000), wk = 0.0025641 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025641 k( 62) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025641 k( 63) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0025641 k( 64) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0025641 k( 65) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0025641 k( 66) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0025641 k( 67) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0025641 k( 68) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0025641 k( 69) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0025641 k( 70) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0025641 k( 71) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0025641 k( 72) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0025641 k( 73) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0025641 k( 74) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0025641 k( 75) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0025641 k( 76) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0025641 k( 77) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0025641 k( 78) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0025641 k( 79) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0025641 k( 80) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0025641 k( 81) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0025641 k( 82) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0025641 k( 83) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0025641 k( 84) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0025641 k( 85) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0025641 k( 86) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0025641 k( 87) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0025641 k( 88) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0025641 k( 89) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0025641 k( 90) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0025641 k( 91) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0025641 k( 92) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0025641 k( 93) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0025641 k( 94) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0025641 k( 95) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0025641 k( 96) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025641 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025641 k( 98) = ( 0.0187576 0.4854242 0.5000000), wk = 0.0025641 k( 99) = ( 0.0375151 0.4708484 0.5000000), wk = 0.0025641 k( 100) = ( 0.0562727 0.4562727 0.5000000), wk = 0.0025641 k( 101) = ( 0.0750302 0.4416969 0.5000000), wk = 0.0025641 k( 102) = ( 0.0937878 0.4271211 0.5000000), wk = 0.0025641 k( 103) = ( 0.1125453 0.4125453 0.5000000), wk = 0.0025641 k( 104) = ( 0.1313029 0.3979696 0.5000000), wk = 0.0025641 k( 105) = ( 0.1500605 0.3833938 0.5000000), wk = 0.0025641 k( 106) = ( 0.1688180 0.3688180 0.5000000), wk = 0.0025641 k( 107) = ( 0.1875756 0.3542422 0.5000000), wk = 0.0025641 k( 108) = ( 0.2063331 0.3396665 0.5000000), wk = 0.0025641 k( 109) = ( 0.2250907 0.3250907 0.5000000), wk = 0.0025641 k( 110) = ( 0.2438482 0.3105149 0.5000000), wk = 0.0025641 k( 111) = ( 0.2626058 0.2959391 0.5000000), wk = 0.0025641 k( 112) = ( 0.2813633 0.2813633 0.5000000), wk = 0.0025641 k( 113) = ( 0.2813633 0.2813633 0.5000000), wk = 0.0025641 k( 114) = ( 0.2749687 0.2749687 0.5000000), wk = 0.0025641 k( 115) = ( 0.2685741 0.2685741 0.5000000), wk = 0.0025641 k( 116) = ( 0.2621795 0.2621795 0.5000000), wk = 0.0025641 k( 117) = ( 0.2557849 0.2557849 0.5000000), wk = 0.0025641 k( 118) = ( 0.2493902 0.2493902 0.5000000), wk = 0.0025641 k( 119) = ( 0.2429956 0.2429956 0.5000000), wk = 0.0025641 k( 120) = ( 0.2366010 0.2366010 0.5000000), wk = 0.0025641 k( 121) = ( 0.2302064 0.2302064 0.5000000), wk = 0.0025641 k( 122) = ( 0.2238118 0.2238118 0.5000000), wk = 0.0025641 k( 123) = ( 0.2174171 0.2174171 0.5000000), wk = 0.0025641 k( 124) = ( 0.2110225 0.2110225 0.5000000), wk = 0.0025641 k( 125) = ( 0.2046279 0.2046279 0.5000000), wk = 0.0025641 k( 126) = ( 0.1982333 0.1982333 0.5000000), wk = 0.0025641 k( 127) = ( 0.1918386 0.1918386 0.5000000), wk = 0.0025641 k( 128) = ( 0.1854440 0.1854440 0.5000000), wk = 0.0025641 k( 129) = ( 0.1790494 0.1790494 0.5000000), wk = 0.0025641 k( 130) = ( 0.1726548 0.1726548 0.5000000), wk = 0.0025641 k( 131) = ( 0.1662601 0.1662601 0.5000000), wk = 0.0025641 k( 132) = ( 0.1598655 0.1598655 0.5000000), wk = 0.0025641 k( 133) = ( 0.1534709 0.1534709 0.5000000), wk = 0.0025641 k( 134) = ( 0.1470763 0.1470763 0.5000000), wk = 0.0025641 k( 135) = ( 0.1406817 0.1406817 0.5000000), wk = 0.0025641 k( 136) = ( 0.1342870 0.1342871 0.5000000), wk = 0.0025641 k( 137) = ( 0.1278924 0.1278924 0.5000000), wk = 0.0025641 k( 138) = ( 0.1214978 0.1214978 0.5000000), wk = 0.0025641 k( 139) = ( 0.1151032 0.1151032 0.5000000), wk = 0.0025641 k( 140) = ( 0.1087086 0.1087086 0.5000000), wk = 0.0025641 k( 141) = ( 0.1023139 0.1023139 0.5000000), wk = 0.0025641 k( 142) = ( 0.0959193 0.0959193 0.5000000), wk = 0.0025641 k( 143) = ( 0.0895247 0.0895247 0.5000000), wk = 0.0025641 k( 144) = ( 0.0831301 0.0831301 0.5000000), wk = 0.0025641 k( 145) = ( 0.0767355 0.0767355 0.5000000), wk = 0.0025641 k( 146) = ( 0.0703408 0.0703408 0.5000000), wk = 0.0025641 k( 147) = ( 0.0639462 0.0639462 0.5000000), wk = 0.0025641 k( 148) = ( 0.0575516 0.0575516 0.5000000), wk = 0.0025641 k( 149) = ( 0.0511570 0.0511570 0.5000000), wk = 0.0025641 k( 150) = ( 0.0447623 0.0447624 0.5000000), wk = 0.0025641 k( 151) = ( 0.0383677 0.0383677 0.5000000), wk = 0.0025641 k( 152) = ( 0.0319731 0.0319731 0.5000000), wk = 0.0025641 k( 153) = ( 0.0255785 0.0255785 0.5000000), wk = 0.0025641 k( 154) = ( 0.0191839 0.0191839 0.5000000), wk = 0.0025641 k( 155) = ( 0.0127892 0.0127892 0.5000000), wk = 0.0025641 k( 156) = ( 0.0063946 0.0063946 0.5000000), wk = 0.0025641 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 159) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0025641 k( 160) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0025641 k( 161) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0025641 k( 162) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0025641 k( 163) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0025641 k( 164) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0025641 k( 165) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0025641 k( 166) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0025641 k( 167) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0025641 k( 168) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0025641 k( 169) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0025641 k( 170) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0025641 k( 171) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0025641 k( 172) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0025641 k( 173) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0025641 k( 174) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0025641 k( 175) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025641 k( 176) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0025641 k( 177) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0025641 k( 178) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0025641 k( 179) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0025641 k( 180) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0025641 k( 181) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0025641 k( 182) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0025641 k( 183) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0025641 k( 184) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0025641 k( 185) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0025641 k( 186) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0025641 k( 187) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0025641 k( 188) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0025641 k( 189) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0025641 k( 190) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0025641 k( 191) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0025641 k( 192) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025641 k( 194) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0025641 k( 195) = ( -0.0357143 0.0357143 0.0000000), wk = 0.0025641 k( 196) = ( -0.0535714 0.0535714 0.0000000), wk = 0.0025641 k( 197) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0025641 k( 198) = ( -0.0892857 0.0892857 0.0000000), wk = 0.0025641 k( 199) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0025641 k( 200) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0025641 k( 201) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0025641 k( 202) = ( -0.1607143 0.1607143 0.0000000), wk = 0.0025641 k( 203) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0025641 k( 204) = ( -0.1964286 0.1964286 0.0000000), wk = 0.0025641 k( 205) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0025641 k( 206) = ( -0.2321429 0.2321429 0.0000000), wk = 0.0025641 k( 207) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0025641 k( 208) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0025641 k( 209) = ( -0.2857143 0.2857143 0.0000000), wk = 0.0025641 k( 210) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0025641 k( 211) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0025641 k( 212) = ( -0.3392857 0.3392857 0.0000000), wk = 0.0025641 k( 213) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0025641 k( 214) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0025641 k( 215) = ( -0.3928571 0.3928571 0.0000000), wk = 0.0025641 k( 216) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0025641 k( 217) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0025641 k( 218) = ( -0.4464286 0.4464286 0.0000000), wk = 0.0025641 k( 219) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0025641 k( 220) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0025641 k( 221) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025641 k( 222) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025641 k( 223) = ( -0.4935695 0.5064305 0.0000000), wk = 0.0025641 k( 224) = ( -0.4871390 0.5128610 0.0000000), wk = 0.0025641 k( 225) = ( -0.4807085 0.5192915 0.0000000), wk = 0.0025641 k( 226) = ( -0.4742780 0.5257220 0.0000000), wk = 0.0025641 k( 227) = ( -0.4678476 0.5321524 0.0000000), wk = 0.0025641 k( 228) = ( -0.4614171 0.5385829 0.0000000), wk = 0.0025641 k( 229) = ( -0.4549866 0.5450134 0.0000000), wk = 0.0025641 k( 230) = ( -0.4485561 0.5514439 0.0000000), wk = 0.0025641 k( 231) = ( -0.4421256 0.5578744 0.0000000), wk = 0.0025641 k( 232) = ( -0.4356951 0.5643049 0.0000000), wk = 0.0025641 k( 233) = ( -0.4292646 0.5707354 0.0000000), wk = 0.0025641 k( 234) = ( -0.4228341 0.5771659 0.0000000), wk = 0.0025641 k( 235) = ( -0.4164036 0.5835964 0.0000000), wk = 0.0025641 k( 236) = ( -0.4099731 0.5900269 0.0000000), wk = 0.0025641 k( 237) = ( -0.4035427 0.5964573 0.0000000), wk = 0.0025641 k( 238) = ( -0.3971122 0.6028878 0.0000000), wk = 0.0025641 k( 239) = ( -0.3906817 0.6093183 0.0000000), wk = 0.0025641 k( 240) = ( -0.3842512 0.6157488 0.0000000), wk = 0.0025641 k( 241) = ( -0.3778207 0.6221793 0.0000000), wk = 0.0025641 k( 242) = ( -0.3713902 0.6286098 0.0000000), wk = 0.0025641 k( 243) = ( -0.3649597 0.6350403 0.0000000), wk = 0.0025641 k( 244) = ( -0.3585292 0.6414708 0.0000000), wk = 0.0025641 k( 245) = ( -0.3520987 0.6479013 0.0000000), wk = 0.0025641 k( 246) = ( -0.3456682 0.6543318 0.0000000), wk = 0.0025641 k( 247) = ( -0.3392378 0.6607622 0.0000000), wk = 0.0025641 k( 248) = ( -0.3328073 0.6671927 0.0000000), wk = 0.0025641 k( 249) = ( -0.3263768 0.6736232 0.0000000), wk = 0.0025641 k( 250) = ( -0.3199463 0.6800537 0.0000000), wk = 0.0025641 k( 251) = ( -0.3135158 0.6864842 0.0000000), wk = 0.0025641 k( 252) = ( -0.3070853 0.6929147 0.0000000), wk = 0.0025641 k( 253) = ( -0.3006548 0.6993452 0.0000000), wk = 0.0025641 k( 254) = ( -0.2942243 0.7057757 0.0000000), wk = 0.0025641 k( 255) = ( -0.2877938 0.7122062 0.0000000), wk = 0.0025641 k( 256) = ( -0.2813633 0.7186367 0.0000000), wk = 0.0025641 k( 257) = ( -0.2813633 0.7186367 0.0000000), wk = 0.0025641 k( 258) = ( -0.2813633 0.7186367 0.0147059), wk = 0.0025641 k( 259) = ( -0.2813633 0.7186367 0.0294118), wk = 0.0025641 k( 260) = ( -0.2813633 0.7186367 0.0441177), wk = 0.0025641 k( 261) = ( -0.2813633 0.7186367 0.0588235), wk = 0.0025641 k( 262) = ( -0.2813633 0.7186367 0.0735294), wk = 0.0025641 k( 263) = ( -0.2813633 0.7186367 0.0882353), wk = 0.0025641 k( 264) = ( -0.2813633 0.7186367 0.1029412), wk = 0.0025641 k( 265) = ( -0.2813633 0.7186367 0.1176471), wk = 0.0025641 k( 266) = ( -0.2813633 0.7186367 0.1323529), wk = 0.0025641 k( 267) = ( -0.2813633 0.7186367 0.1470588), wk = 0.0025641 k( 268) = ( -0.2813633 0.7186367 0.1617647), wk = 0.0025641 k( 269) = ( -0.2813633 0.7186367 0.1764706), wk = 0.0025641 k( 270) = ( -0.2813633 0.7186367 0.1911765), wk = 0.0025641 k( 271) = ( -0.2813633 0.7186367 0.2058823), wk = 0.0025641 k( 272) = ( -0.2813633 0.7186367 0.2205882), wk = 0.0025641 k( 273) = ( -0.2813633 0.7186367 0.2352941), wk = 0.0025641 k( 274) = ( -0.2813633 0.7186367 0.2500000), wk = 0.0025641 k( 275) = ( -0.2813633 0.7186367 0.2647059), wk = 0.0025641 k( 276) = ( -0.2813633 0.7186367 0.2794118), wk = 0.0025641 k( 277) = ( -0.2813633 0.7186367 0.2941177), wk = 0.0025641 k( 278) = ( -0.2813633 0.7186367 0.3088235), wk = 0.0025641 k( 279) = ( -0.2813633 0.7186367 0.3235294), wk = 0.0025641 k( 280) = ( -0.2813633 0.7186367 0.3382353), wk = 0.0025641 k( 281) = ( -0.2813633 0.7186367 0.3529412), wk = 0.0025641 k( 282) = ( -0.2813633 0.7186367 0.3676471), wk = 0.0025641 k( 283) = ( -0.2813633 0.7186367 0.3823529), wk = 0.0025641 k( 284) = ( -0.2813633 0.7186367 0.3970588), wk = 0.0025641 k( 285) = ( -0.2813633 0.7186367 0.4117647), wk = 0.0025641 k( 286) = ( -0.2813633 0.7186367 0.4264706), wk = 0.0025641 k( 287) = ( -0.2813633 0.7186367 0.4411765), wk = 0.0025641 k( 288) = ( -0.2813633 0.7186367 0.4558823), wk = 0.0025641 k( 289) = ( -0.2813633 0.7186367 0.4705882), wk = 0.0025641 k( 290) = ( -0.2813633 0.7186367 0.4852941), wk = 0.0025641 k( 291) = ( -0.2813633 0.7186367 0.5000000), wk = 0.0025641 k( 292) = ( -0.2813633 0.7186367 0.5000000), wk = 0.0025641 k( 293) = ( -0.2877938 0.7122062 0.5000000), wk = 0.0025641 k( 294) = ( -0.2942243 0.7057757 0.5000000), wk = 0.0025641 k( 295) = ( -0.3006548 0.6993452 0.5000000), wk = 0.0025641 k( 296) = ( -0.3070853 0.6929147 0.5000000), wk = 0.0025641 k( 297) = ( -0.3135158 0.6864842 0.5000000), wk = 0.0025641 k( 298) = ( -0.3199463 0.6800537 0.5000000), wk = 0.0025641 k( 299) = ( -0.3263768 0.6736232 0.5000000), wk = 0.0025641 k( 300) = ( -0.3328073 0.6671927 0.5000000), wk = 0.0025641 k( 301) = ( -0.3392378 0.6607622 0.5000000), wk = 0.0025641 k( 302) = ( -0.3456682 0.6543318 0.5000000), wk = 0.0025641 k( 303) = ( -0.3520987 0.6479013 0.5000000), wk = 0.0025641 k( 304) = ( -0.3585292 0.6414708 0.5000000), wk = 0.0025641 k( 305) = ( -0.3649597 0.6350403 0.5000000), wk = 0.0025641 k( 306) = ( -0.3713902 0.6286098 0.5000000), wk = 0.0025641 k( 307) = ( -0.3778207 0.6221793 0.5000000), wk = 0.0025641 k( 308) = ( -0.3842512 0.6157488 0.5000000), wk = 0.0025641 k( 309) = ( -0.3906817 0.6093183 0.5000000), wk = 0.0025641 k( 310) = ( -0.3971122 0.6028878 0.5000000), wk = 0.0025641 k( 311) = ( -0.4035427 0.5964573 0.5000000), wk = 0.0025641 k( 312) = ( -0.4099731 0.5900269 0.5000000), wk = 0.0025641 k( 313) = ( -0.4164036 0.5835964 0.5000000), wk = 0.0025641 k( 314) = ( -0.4228341 0.5771659 0.5000000), wk = 0.0025641 k( 315) = ( -0.4292646 0.5707354 0.5000000), wk = 0.0025641 k( 316) = ( -0.4356951 0.5643049 0.5000000), wk = 0.0025641 k( 317) = ( -0.4421256 0.5578744 0.5000000), wk = 0.0025641 k( 318) = ( -0.4485561 0.5514439 0.5000000), wk = 0.0025641 k( 319) = ( -0.4549866 0.5450134 0.5000000), wk = 0.0025641 k( 320) = ( -0.4614171 0.5385829 0.5000000), wk = 0.0025641 k( 321) = ( -0.4678476 0.5321524 0.5000000), wk = 0.0025641 k( 322) = ( -0.4742780 0.5257220 0.5000000), wk = 0.0025641 k( 323) = ( -0.4807085 0.5192915 0.5000000), wk = 0.0025641 k( 324) = ( -0.4871390 0.5128610 0.5000000), wk = 0.0025641 k( 325) = ( -0.4935695 0.5064305 0.5000000), wk = 0.0025641 k( 326) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 327) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025641 k( 328) = ( -0.5000000 0.5000000 0.4852941), wk = 0.0025641 k( 329) = ( -0.5000000 0.5000000 0.4705882), wk = 0.0025641 k( 330) = ( -0.5000000 0.5000000 0.4558823), wk = 0.0025641 k( 331) = ( -0.5000000 0.5000000 0.4411765), wk = 0.0025641 k( 332) = ( -0.5000000 0.5000000 0.4264706), wk = 0.0025641 k( 333) = ( -0.5000000 0.5000000 0.4117647), wk = 0.0025641 k( 334) = ( -0.5000000 0.5000000 0.3970588), wk = 0.0025641 k( 335) = ( -0.5000000 0.5000000 0.3823529), wk = 0.0025641 k( 336) = ( -0.5000000 0.5000000 0.3676471), wk = 0.0025641 k( 337) = ( -0.5000000 0.5000000 0.3529412), wk = 0.0025641 k( 338) = ( -0.5000000 0.5000000 0.3382353), wk = 0.0025641 k( 339) = ( -0.5000000 0.5000000 0.3235294), wk = 0.0025641 k( 340) = ( -0.5000000 0.5000000 0.3088235), wk = 0.0025641 k( 341) = ( -0.5000000 0.5000000 0.2941177), wk = 0.0025641 k( 342) = ( -0.5000000 0.5000000 0.2794118), wk = 0.0025641 k( 343) = ( -0.5000000 0.5000000 0.2647059), wk = 0.0025641 k( 344) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0025641 k( 345) = ( -0.5000000 0.5000000 0.2352941), wk = 0.0025641 k( 346) = ( -0.5000000 0.5000000 0.2205882), wk = 0.0025641 k( 347) = ( -0.5000000 0.5000000 0.2058823), wk = 0.0025641 k( 348) = ( -0.5000000 0.5000000 0.1911765), wk = 0.0025641 k( 349) = ( -0.5000000 0.5000000 0.1764706), wk = 0.0025641 k( 350) = ( -0.5000000 0.5000000 0.1617647), wk = 0.0025641 k( 351) = ( -0.5000000 0.5000000 0.1470588), wk = 0.0025641 k( 352) = ( -0.5000000 0.5000000 0.1323529), wk = 0.0025641 k( 353) = ( -0.5000000 0.5000000 0.1176471), wk = 0.0025641 k( 354) = ( -0.5000000 0.5000000 0.1029412), wk = 0.0025641 k( 355) = ( -0.5000000 0.5000000 0.0882353), wk = 0.0025641 k( 356) = ( -0.5000000 0.5000000 0.0735294), wk = 0.0025641 k( 357) = ( -0.5000000 0.5000000 0.0588235), wk = 0.0025641 k( 358) = ( -0.5000000 0.5000000 0.0441177), wk = 0.0025641 k( 359) = ( -0.5000000 0.5000000 0.0294118), wk = 0.0025641 k( 360) = ( -0.5000000 0.5000000 0.0147059), wk = 0.0025641 k( 361) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025641 k( 362) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025641 k( 363) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0025641 k( 364) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0025641 k( 365) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0025641 k( 366) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0025641 k( 367) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0025641 k( 368) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0025641 k( 369) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0025641 k( 370) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0025641 k( 371) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0025641 k( 372) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0025641 k( 373) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0025641 k( 374) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0025641 k( 375) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0025641 k( 376) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0025641 k( 377) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0025641 k( 378) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0025641 k( 379) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0025641 k( 380) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0025641 k( 381) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0025641 k( 382) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0025641 k( 383) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0025641 k( 384) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0025641 k( 385) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0025641 k( 386) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0025641 k( 387) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0025641 k( 388) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0025641 k( 389) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0025641 k( 390) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025641 Dense grid: 55919 G-vectors FFT dimensions: ( 64, 64, 48) Smooth grid: 30775 G-vectors FFT dimensions: ( 50, 50, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 224, 50) NL pseudopotentials 0.23 Mb ( 112, 136) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1554) G-vector shells 0.01 Mb ( 802) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 224, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 136, 2, 50) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaAg.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.8 secs Computing kpt #: 5 total cpu time spent up to now is 6.7 secs Computing kpt #: 6 total cpu time spent up to now is 7.5 secs Computing kpt #: 7 total cpu time spent up to now is 8.3 secs Computing kpt #: 8 total cpu time spent up to now is 9.0 secs Computing kpt #: 9 total cpu time spent up to now is 9.7 secs Computing kpt #: 10 total cpu time spent up to now is 10.4 secs Computing kpt #: 11 total cpu time spent up to now is 11.1 secs Computing kpt #: 12 total cpu time spent up to now is 11.7 secs Computing kpt #: 13 total cpu time spent up to now is 12.4 secs Computing kpt #: 14 total cpu time spent up to now is 13.2 secs Computing kpt #: 15 total cpu time spent up to now is 14.0 secs Computing kpt #: 16 total cpu time spent up to now is 14.7 secs Computing kpt #: 17 total cpu time spent up to now is 15.5 secs Computing kpt #: 18 total cpu time spent up to now is 16.3 secs Computing kpt #: 19 total cpu time spent up to now is 17.1 secs Computing kpt #: 20 total cpu time spent up to now is 17.8 secs Computing kpt #: 21 total cpu time spent up to now is 18.7 secs Computing kpt #: 22 total cpu time spent up to now is 19.4 secs Computing kpt #: 23 total cpu time spent up to now is 20.6 secs Computing kpt #: 24 total cpu time spent up to now is 21.3 secs Computing kpt #: 25 total cpu time spent up to now is 22.3 secs Computing kpt #: 26 total cpu time spent up to now is 23.4 secs Computing kpt #: 27 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 25.1 secs Computing kpt #: 28 total cpu time spent up to now is 25.8 secs Computing kpt #: 29 total cpu time spent up to now is 27.1 secs Computing kpt #: 30 total cpu time spent up to now is 27.8 secs Computing kpt #: 31 total cpu time spent up to now is 28.7 secs Computing kpt #: 32 total cpu time spent up to now is 29.5 secs Computing kpt #: 33 total cpu time spent up to now is 30.2 secs Computing kpt #: 34 total cpu time spent up to now is 30.9 secs Computing kpt #: 35 total cpu time spent up to now is 34.9 secs Computing kpt #: 36 total cpu time spent up to now is 35.6 secs Computing kpt #: 37 total cpu time spent up to now is 36.5 secs Computing kpt #: 38 total cpu time spent up to now is 37.2 secs Computing kpt #: 39 total cpu time spent up to now is 38.1 secs Computing kpt #: 40 total cpu time spent up to now is 38.8 secs Computing kpt #: 41 total cpu time spent up to now is 39.6 secs Computing kpt #: 42 total cpu time spent up to now is 40.5 secs Computing kpt #: 43 total cpu time spent up to now is 41.2 secs Computing kpt #: 44 total cpu time spent up to now is 42.1 secs Computing kpt #: 45 total cpu time spent up to now is 42.8 secs Computing kpt #: 46 total cpu time spent up to now is 43.5 secs Computing kpt #: 47 total cpu time spent up to now is 44.2 secs Computing kpt #: 48 total cpu time spent up to now is 45.0 secs Computing kpt #: 49 total cpu time spent up to now is 45.7 secs Computing kpt #: 50 total cpu time spent up to now is 46.4 secs Computing kpt #: 51 total cpu time spent up to now is 47.1 secs Computing kpt #: 52 total cpu time spent up to now is 47.8 secs Computing kpt #: 53 total cpu time spent up to now is 48.7 secs Computing kpt #: 54 total cpu time spent up to now is 49.4 secs Computing kpt #: 55 total cpu time spent up to now is 50.2 secs Computing kpt #: 56 total cpu time spent up to now is 50.9 secs Computing kpt #: 57 total cpu time spent up to now is 51.6 secs Computing kpt #: 58 total cpu time spent up to now is 52.5 secs Computing kpt #: 59 total cpu time spent up to now is 53.4 secs Computing kpt #: 60 total cpu time spent up to now is 54.2 secs Computing kpt #: 61 total cpu time spent up to now is 54.9 secs Computing kpt #: 62 total cpu time spent up to now is 55.8 secs Computing kpt #: 63 total cpu time spent up to now is 56.7 secs Computing kpt #: 64 total cpu time spent up to now is 57.4 secs Computing kpt #: 65 total cpu time spent up to now is 58.4 secs Computing kpt #: 66 total cpu time spent up to now is 59.1 secs Computing kpt #: 67 total cpu time spent up to now is 59.8 secs Computing kpt #: 68 total cpu time spent up to now is 60.5 secs Computing kpt #: 69 total cpu time spent up to now is 61.2 secs Computing kpt #: 70 total cpu time spent up to now is 62.0 secs Computing kpt #: 71 total cpu time spent up to now is 62.7 secs Computing kpt #: 72 total cpu time spent up to now is 63.4 secs Computing kpt #: 73 total cpu time spent up to now is 64.1 secs Computing kpt #: 74 total cpu time spent up to now is 64.8 secs Computing kpt #: 75 total cpu time spent up to now is 65.5 secs Computing kpt #: 76 total cpu time spent up to now is 66.2 secs Computing kpt #: 77 total cpu time spent up to now is 66.9 secs Computing kpt #: 78 total cpu time spent up to now is 67.6 secs Computing kpt #: 79 total cpu time spent up to now is 68.3 secs Computing kpt #: 80 total cpu time spent up to now is 69.1 secs Computing kpt #: 81 total cpu time spent up to now is 69.8 secs Computing kpt #: 82 total cpu time spent up to now is 70.5 secs Computing kpt #: 83 total cpu time spent up to now is 71.3 secs Computing kpt #: 84 total cpu time spent up to now is 72.4 secs Computing kpt #: 85 total cpu time spent up to now is 73.1 secs Computing kpt #: 86 total cpu time spent up to now is 73.8 secs Computing kpt #: 87 total cpu time spent up to now is 74.5 secs Computing kpt #: 88 total cpu time spent up to now is 75.2 secs Computing kpt #: 89 total cpu time spent up to now is 75.9 secs Computing kpt #: 90 total cpu time spent up to now is 76.6 secs Computing kpt #: 91 total cpu time spent up to now is 77.4 secs Computing kpt #: 92 total cpu time spent up to now is 78.1 secs Computing kpt #: 93 total cpu time spent up to now is 78.8 secs Computing kpt #: 94 total cpu time spent up to now is 79.5 secs Computing kpt #: 95 total cpu time spent up to now is 80.3 secs Computing kpt #: 96 total cpu time spent up to now is 80.9 secs Computing kpt #: 97 total cpu time spent up to now is 81.6 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 83.3 secs Computing kpt #: 99 total cpu time spent up to now is 84.1 secs Computing kpt #: 100 total cpu time spent up to now is 84.8 secs Computing kpt #: 101 total cpu time spent up to now is 85.5 secs Computing kpt #: 102 total cpu time spent up to now is 86.2 secs Computing kpt #: 103 total cpu time spent up to now is 87.0 secs Computing kpt #: 104 total cpu time spent up to now is 87.7 secs Computing kpt #: 105 total cpu time spent up to now is 88.4 secs Computing kpt #: 106 total cpu time spent up to now is 89.2 secs Computing kpt #: 107 total cpu time spent up to now is 89.9 secs Computing kpt #: 108 total cpu time spent up to now is 90.7 secs Computing kpt #: 109 total cpu time spent up to now is 91.4 secs Computing kpt #: 110 total cpu time spent up to now is 92.1 secs Computing kpt #: 111 total cpu time spent up to now is 92.9 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 94.6 secs Computing kpt #: 113 total cpu time spent up to now is 95.3 secs Computing kpt #: 114 total cpu time spent up to now is 96.1 secs Computing kpt #: 115 total cpu time spent up to now is 96.8 secs Computing kpt #: 116 total cpu time spent up to now is 97.6 secs Computing kpt #: 117 total cpu time spent up to now is 98.3 secs Computing kpt #: 118 total cpu time spent up to now is 99.1 secs Computing kpt #: 119 total cpu time spent up to now is 99.8 secs Computing kpt #: 120 total cpu time spent up to now is 100.5 secs Computing kpt #: 121 total cpu time spent up to now is 101.3 secs Computing kpt #: 122 total cpu time spent up to now is 102.0 secs Computing kpt #: 123 total cpu time spent up to now is 102.7 secs Computing kpt #: 124 total cpu time spent up to now is 103.5 secs Computing kpt #: 125 total cpu time spent up to now is 104.3 secs Computing kpt #: 126 total cpu time spent up to now is 105.0 secs Computing kpt #: 127 total cpu time spent up to now is 105.8 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.4 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 109.1 secs Computing kpt #: 130 total cpu time spent up to now is 109.9 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 111.6 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 113.4 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 115.0 secs Computing kpt #: 134 total cpu time spent up to now is 115.8 secs Computing kpt #: 135 total cpu time spent up to now is 116.8 secs Computing kpt #: 136 total cpu time spent up to now is 117.8 secs Computing kpt #: 137 total cpu time spent up to now is 118.6 secs Computing kpt #: 138 total cpu time spent up to now is 119.4 secs Computing kpt #: 139 total cpu time spent up to now is 120.1 secs Computing kpt #: 140 total cpu time spent up to now is 120.9 secs Computing kpt #: 141 total cpu time spent up to now is 121.6 secs Computing kpt #: 142 total cpu time spent up to now is 122.4 secs Computing kpt #: 143 total cpu time spent up to now is 123.3 secs Computing kpt #: 144 total cpu time spent up to now is 124.0 secs Computing kpt #: 145 total cpu time spent up to now is 125.2 secs Computing kpt #: 146 total cpu time spent up to now is 125.9 secs Computing kpt #: 147 total cpu time spent up to now is 126.7 secs Computing kpt #: 148 total cpu time spent up to now is 127.9 secs Computing kpt #: 149 total cpu time spent up to now is 129.4 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.0 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.6 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 134.3 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 135.8 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 137.4 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.0 secs Computing kpt #: 156 total cpu time spent up to now is 139.7 secs Computing kpt #: 157 total cpu time spent up to now is 140.3 secs Computing kpt #: 158 total cpu time spent up to now is 141.0 secs Computing kpt #: 159 total cpu time spent up to now is 142.0 secs Computing kpt #: 160 total cpu time spent up to now is 142.9 secs Computing kpt #: 161 total cpu time spent up to now is 143.7 secs Computing kpt #: 162 total cpu time spent up to now is 144.6 secs Computing kpt #: 163 total cpu time spent up to now is 145.4 secs Computing kpt #: 164 total cpu time spent up to now is 146.1 secs Computing kpt #: 165 total cpu time spent up to now is 146.8 secs Computing kpt #: 166 total cpu time spent up to now is 147.7 secs Computing kpt #: 167 total cpu time spent up to now is 148.5 secs Computing kpt #: 168 total cpu time spent up to now is 149.2 secs Computing kpt #: 169 total cpu time spent up to now is 149.9 secs Computing kpt #: 170 total cpu time spent up to now is 150.6 secs Computing kpt #: 171 total cpu time spent up to now is 151.5 secs Computing kpt #: 172 total cpu time spent up to now is 152.2 secs Computing kpt #: 173 total cpu time spent up to now is 152.9 secs Computing kpt #: 174 total cpu time spent up to now is 153.6 secs Computing kpt #: 175 total cpu time spent up to now is 154.3 secs Computing kpt #: 176 total cpu time spent up to now is 155.2 secs Computing kpt #: 177 total cpu time spent up to now is 156.0 secs Computing kpt #: 178 total cpu time spent up to now is 156.7 secs Computing kpt #: 179 total cpu time spent up to now is 157.7 secs Computing kpt #: 180 total cpu time spent up to now is 158.6 secs Computing kpt #: 181 total cpu time spent up to now is 159.3 secs Computing kpt #: 182 total cpu time spent up to now is 160.3 secs Computing kpt #: 183 total cpu time spent up to now is 161.1 secs Computing kpt #: 184 total cpu time spent up to now is 162.1 secs Computing kpt #: 185 total cpu time spent up to now is 163.1 secs Computing kpt #: 186 total cpu time spent up to now is 164.0 secs Computing kpt #: 187 total cpu time spent up to now is 165.0 secs Computing kpt #: 188 total cpu time spent up to now is 166.1 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.8 secs Computing kpt #: 190 total cpu time spent up to now is 169.2 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.9 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.5 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.2 secs Computing kpt #: 194 total cpu time spent up to now is 175.1 secs Computing kpt #: 195 total cpu time spent up to now is 176.7 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 178.3 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.0 secs Computing kpt #: 198 total cpu time spent up to now is 181.2 secs Computing kpt #: 199 total cpu time spent up to now is 182.5 secs Computing kpt #: 200 total cpu time spent up to now is 183.5 secs Computing kpt #: 201 total cpu time spent up to now is 184.4 secs Computing kpt #: 202 total cpu time spent up to now is 185.3 secs Computing kpt #: 203 total cpu time spent up to now is 186.2 secs Computing kpt #: 204 total cpu time spent up to now is 187.1 secs Computing kpt #: 205 total cpu time spent up to now is 187.9 secs Computing kpt #: 206 total cpu time spent up to now is 188.8 secs Computing kpt #: 207 total cpu time spent up to now is 189.7 secs Computing kpt #: 208 total cpu time spent up to now is 190.5 secs Computing kpt #: 209 total cpu time spent up to now is 191.5 secs Computing kpt #: 210 total cpu time spent up to now is 192.3 secs Computing kpt #: 211 total cpu time spent up to now is 193.2 secs Computing kpt #: 212 total cpu time spent up to now is 194.2 secs Computing kpt #: 213 total cpu time spent up to now is 195.2 secs Computing kpt #: 214 total cpu time spent up to now is 196.0 secs Computing kpt #: 215 total cpu time spent up to now is 196.8 secs Computing kpt #: 216 total cpu time spent up to now is 197.7 secs Computing kpt #: 217 total cpu time spent up to now is 198.6 secs Computing kpt #: 218 total cpu time spent up to now is 199.5 secs Computing kpt #: 219 total cpu time spent up to now is 200.5 secs Computing kpt #: 220 total cpu time spent up to now is 201.4 secs Computing kpt #: 221 total cpu time spent up to now is 202.3 secs Computing kpt #: 222 total cpu time spent up to now is 203.2 secs Computing kpt #: 223 total cpu time spent up to now is 204.1 secs Computing kpt #: 224 total cpu time spent up to now is 205.0 secs Computing kpt #: 225 total cpu time spent up to now is 205.9 secs Computing kpt #: 226 total cpu time spent up to now is 206.8 secs Computing kpt #: 227 total cpu time spent up to now is 208.0 secs Computing kpt #: 228 total cpu time spent up to now is 209.0 secs Computing kpt #: 229 total cpu time spent up to now is 209.9 secs Computing kpt #: 230 total cpu time spent up to now is 210.9 secs Computing kpt #: 231 total cpu time spent up to now is 212.0 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 213.7 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 215.3 secs Computing kpt #: 234 total cpu time spent up to now is 216.2 secs Computing kpt #: 235 total cpu time spent up to now is 217.2 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.8 secs Computing kpt #: 237 total cpu time spent up to now is 220.0 secs Computing kpt #: 238 total cpu time spent up to now is 220.9 secs Computing kpt #: 239 total cpu time spent up to now is 221.7 secs Computing kpt #: 240 total cpu time spent up to now is 222.5 secs Computing kpt #: 241 total cpu time spent up to now is 223.2 secs Computing kpt #: 242 total cpu time spent up to now is 223.9 secs Computing kpt #: 243 total cpu time spent up to now is 224.7 secs Computing kpt #: 244 total cpu time spent up to now is 225.4 secs Computing kpt #: 245 total cpu time spent up to now is 226.1 secs Computing kpt #: 246 total cpu time spent up to now is 226.8 secs Computing kpt #: 247 total cpu time spent up to now is 227.7 secs Computing kpt #: 248 total cpu time spent up to now is 228.6 secs Computing kpt #: 249 total cpu time spent up to now is 229.7 secs Computing kpt #: 250 total cpu time spent up to now is 230.6 secs Computing kpt #: 251 total cpu time spent up to now is 232.0 secs Computing kpt #: 252 total cpu time spent up to now is 232.8 secs Computing kpt #: 253 total cpu time spent up to now is 234.0 secs Computing kpt #: 254 total cpu time spent up to now is 234.8 secs Computing kpt #: 255 total cpu time spent up to now is 235.9 secs Computing kpt #: 256 total cpu time spent up to now is 236.6 secs Computing kpt #: 257 total cpu time spent up to now is 237.3 secs Computing kpt #: 258 total cpu time spent up to now is 238.1 secs Computing kpt #: 259 total cpu time spent up to now is 238.8 secs Computing kpt #: 260 total cpu time spent up to now is 239.6 secs Computing kpt #: 261 total cpu time spent up to now is 240.4 secs Computing kpt #: 262 total cpu time spent up to now is 241.0 secs Computing kpt #: 263 total cpu time spent up to now is 241.7 secs Computing kpt #: 264 total cpu time spent up to now is 242.3 secs Computing kpt #: 265 total cpu time spent up to now is 242.9 secs Computing kpt #: 266 total cpu time spent up to now is 243.6 secs Computing kpt #: 267 total cpu time spent up to now is 244.2 secs Computing kpt #: 268 total cpu time spent up to now is 244.9 secs Computing kpt #: 269 total cpu time spent up to now is 245.6 secs Computing kpt #: 270 total cpu time spent up to now is 246.2 secs Computing kpt #: 271 total cpu time spent up to now is 246.8 secs Computing kpt #: 272 total cpu time spent up to now is 247.5 secs Computing kpt #: 273 total cpu time spent up to now is 248.2 secs Computing kpt #: 274 total cpu time spent up to now is 248.8 secs Computing kpt #: 275 total cpu time spent up to now is 249.5 secs Computing kpt #: 276 total cpu time spent up to now is 250.2 secs Computing kpt #: 277 total cpu time spent up to now is 250.9 secs Computing kpt #: 278 total cpu time spent up to now is 251.6 secs Computing kpt #: 279 total cpu time spent up to now is 252.3 secs Computing kpt #: 280 total cpu time spent up to now is 253.0 secs Computing kpt #: 281 total cpu time spent up to now is 253.7 secs Computing kpt #: 282 total cpu time spent up to now is 254.4 secs Computing kpt #: 283 total cpu time spent up to now is 255.1 secs Computing kpt #: 284 total cpu time spent up to now is 255.8 secs Computing kpt #: 285 total cpu time spent up to now is 256.6 secs Computing kpt #: 286 total cpu time spent up to now is 257.3 secs Computing kpt #: 287 total cpu time spent up to now is 258.0 secs Computing kpt #: 288 total cpu time spent up to now is 258.8 secs Computing kpt #: 289 total cpu time spent up to now is 259.5 secs Computing kpt #: 290 total cpu time spent up to now is 260.2 secs Computing kpt #: 291 total cpu time spent up to now is 261.0 secs Computing kpt #: 292 total cpu time spent up to now is 261.7 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.4 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.1 secs Computing kpt #: 295 total cpu time spent up to now is 265.9 secs Computing kpt #: 296 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 267.6 secs Computing kpt #: 297 total cpu time spent up to now is 268.3 secs Computing kpt #: 298 total cpu time spent up to now is 269.1 secs Computing kpt #: 299 total cpu time spent up to now is 270.3 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 272.0 secs Computing kpt #: 301 total cpu time spent up to now is 273.2 secs Computing kpt #: 302 total cpu time spent up to now is 274.1 secs Computing kpt #: 303 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.8 secs Computing kpt #: 304 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.4 secs Computing kpt #: 305 total cpu time spent up to now is 278.4 secs Computing kpt #: 306 total cpu time spent up to now is 279.6 secs Computing kpt #: 307 total cpu time spent up to now is 280.4 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.0 secs Computing kpt #: 309 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.7 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 285.3 secs Computing kpt #: 311 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.9 secs Computing kpt #: 312 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.6 secs Computing kpt #: 313 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.3 secs Computing kpt #: 314 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 291.9 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 293.5 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 295.1 secs Computing kpt #: 317 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.7 secs Computing kpt #: 318 total cpu time spent up to now is 297.8 secs Computing kpt #: 319 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 299.4 secs Computing kpt #: 320 total cpu time spent up to now is 300.4 secs Computing kpt #: 321 total cpu time spent up to now is 301.2 secs Computing kpt #: 322 total cpu time spent up to now is 302.0 secs Computing kpt #: 323 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 303.7 secs Computing kpt #: 324 total cpu time spent up to now is 304.5 secs Computing kpt #: 325 total cpu time spent up to now is 305.6 secs Computing kpt #: 326 total cpu time spent up to now is 306.6 secs Computing kpt #: 327 total cpu time spent up to now is 307.6 secs Computing kpt #: 328 total cpu time spent up to now is 308.3 secs Computing kpt #: 329 total cpu time spent up to now is 309.1 secs Computing kpt #: 330 total cpu time spent up to now is 309.9 secs Computing kpt #: 331 total cpu time spent up to now is 311.0 secs Computing kpt #: 332 total cpu time spent up to now is 312.4 secs Computing kpt #: 333 total cpu time spent up to now is 313.2 secs Computing kpt #: 334 total cpu time spent up to now is 314.0 secs Computing kpt #: 335 total cpu time spent up to now is 314.8 secs Computing kpt #: 336 total cpu time spent up to now is 315.8 secs Computing kpt #: 337 total cpu time spent up to now is 317.0 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.7 secs Computing kpt #: 339 total cpu time spent up to now is 320.0 secs Computing kpt #: 340 total cpu time spent up to now is 321.3 secs Computing kpt #: 341 total cpu time spent up to now is 322.7 secs Computing kpt #: 342 total cpu time spent up to now is 324.0 secs Computing kpt #: 343 total cpu time spent up to now is 325.3 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.0 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 328.7 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.4 secs Computing kpt #: 347 total cpu time spent up to now is 331.9 secs Computing kpt #: 348 total cpu time spent up to now is 333.4 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 335.2 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.9 secs Computing kpt #: 351 total cpu time spent up to now is 338.2 secs Computing kpt #: 352 total cpu time spent up to now is 339.1 secs Computing kpt #: 353 total cpu time spent up to now is 340.3 secs Computing kpt #: 354 total cpu time spent up to now is 341.3 secs Computing kpt #: 355 total cpu time spent up to now is 342.2 secs Computing kpt #: 356 total cpu time spent up to now is 343.0 secs Computing kpt #: 357 total cpu time spent up to now is 343.9 secs Computing kpt #: 358 total cpu time spent up to now is 344.8 secs Computing kpt #: 359 total cpu time spent up to now is 345.8 secs Computing kpt #: 360 total cpu time spent up to now is 346.8 secs Computing kpt #: 361 total cpu time spent up to now is 347.7 secs Computing kpt #: 362 total cpu time spent up to now is 348.4 secs Computing kpt #: 363 total cpu time spent up to now is 349.1 secs Computing kpt #: 364 total cpu time spent up to now is 349.8 secs Computing kpt #: 365 total cpu time spent up to now is 350.5 secs Computing kpt #: 366 total cpu time spent up to now is 351.2 secs Computing kpt #: 367 total cpu time spent up to now is 351.9 secs Computing kpt #: 368 total cpu time spent up to now is 352.7 secs Computing kpt #: 369 total cpu time spent up to now is 353.3 secs Computing kpt #: 370 total cpu time spent up to now is 354.0 secs Computing kpt #: 371 total cpu time spent up to now is 354.8 secs Computing kpt #: 372 total cpu time spent up to now is 355.6 secs Computing kpt #: 373 total cpu time spent up to now is 356.3 secs Computing kpt #: 374 total cpu time spent up to now is 356.9 secs Computing kpt #: 375 total cpu time spent up to now is 357.9 secs Computing kpt #: 376 total cpu time spent up to now is 358.6 secs Computing kpt #: 377 total cpu time spent up to now is 359.6 secs Computing kpt #: 378 total cpu time spent up to now is 360.6 secs Computing kpt #: 379 total cpu time spent up to now is 361.6 secs Computing kpt #: 380 total cpu time spent up to now is 362.3 secs Computing kpt #: 381 total cpu time spent up to now is 363.4 secs Computing kpt #: 382 total cpu time spent up to now is 364.3 secs Computing kpt #: 383 total cpu time spent up to now is 365.3 secs Computing kpt #: 384 total cpu time spent up to now is 366.3 secs Computing kpt #: 385 total cpu time spent up to now is 367.3 secs Computing kpt #: 386 total cpu time spent up to now is 368.3 secs Computing kpt #: 387 total cpu time spent up to now is 369.0 secs Computing kpt #: 388 total cpu time spent up to now is 370.0 secs Computing kpt #: 389 total cpu time spent up to now is 370.7 secs Computing kpt #: 390 total cpu time spent up to now is 371.5 secs ethr = 2.38E-08, avg # of iterations = 47.0 total cpu time spent up to now is 371.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3897 PWs) bands (ev): -33.4743 -33.4743 -33.4627 -33.4627 -14.7449 -14.7449 -14.6918 -14.6918 -14.3853 -14.3853 -14.3457 -14.3457 -14.3130 -14.3130 -14.3106 -14.3106 2.3719 2.3719 2.7025 2.7025 2.7234 2.7234 2.8910 2.8910 2.9505 2.9505 3.3698 3.3698 3.6048 3.6048 3.6145 3.6145 3.7554 3.7554 3.9551 3.9551 4.0686 4.0686 6.6108 6.6108 7.9745 7.9745 9.5086 9.5086 9.5867 9.5867 10.3448 10.3448 10.5285 10.5285 k = 0.0064 0.0181-0.0000 ( 3891 PWs) bands (ev): -33.4743 -33.4743 -33.4627 -33.4627 -14.7448 -14.7448 -14.6918 -14.6918 -14.3853 -14.3853 -14.3457 -14.3457 -14.3130 -14.3130 -14.3107 -14.3107 2.3731 2.3731 2.7026 2.7026 2.7235 2.7235 2.8917 2.8917 2.9506 2.9506 3.3697 3.3697 3.6042 3.6042 3.6155 3.6155 3.7554 3.7554 3.9551 3.9551 4.0686 4.0686 6.6120 6.6120 7.9745 7.9745 9.5080 9.5080 9.5863 9.5863 10.3437 10.3437 10.4802 10.4802 k = 0.0128 0.0361-0.0000 ( 3887 PWs) bands (ev): -33.4743 -33.4743 -33.4627 -33.4627 -14.7449 -14.7449 -14.6919 -14.6919 -14.3852 -14.3852 -14.3459 -14.3459 -14.3130 -14.3130 -14.3109 -14.3109 2.3768 2.3768 2.7029 2.7029 2.7237 2.7237 2.8940 2.8940 2.9506 2.9506 3.3693 3.3693 3.6026 3.6026 3.6179 3.6179 3.7557 3.7557 3.9550 3.9550 4.0683 4.0683 6.6156 6.6156 7.9743 7.9743 9.5061 9.5061 9.5850 9.5850 10.3406 10.3406 10.4208 10.4208 k = 0.0192 0.0542-0.0000 ( 3893 PWs) bands (ev): -33.4742 -33.4742 -33.4627 -33.4627 -14.7449 -14.7449 -14.6922 -14.6922 -14.3851 -14.3851 -14.3462 -14.3462 -14.3130 -14.3130 -14.3113 -14.3113 2.3828 2.3828 2.7033 2.7033 2.7241 2.7241 2.8977 2.8977 2.9506 2.9506 3.3688 3.3688 3.6007 3.6007 3.6211 3.6211 3.7560 3.7560 3.9548 3.9548 4.0678 4.0678 6.6216 6.6216 7.9739 7.9739 9.5029 9.5029 9.5827 9.5827 10.3350 10.3350 10.3605 10.3605 k = 0.0256 0.0722-0.0000 ( 3897 PWs) bands (ev): -33.4742 -33.4742 -33.4627 -33.4627 -14.7449 -14.7449 -14.6925 -14.6925 -14.3850 -14.3850 -14.3466 -14.3466 -14.3130 -14.3130 -14.3118 -14.3118 2.3911 2.3911 2.7039 2.7039 2.7246 2.7246 2.9030 2.9030 2.9505 2.9505 3.3679 3.3679 3.5988 3.5988 3.6251 3.6251 3.7565 3.7565 3.9546 3.9546 4.0672 4.0672 6.6300 6.6300 7.9732 7.9732 9.4981 9.4981 9.5794 9.5794 10.2955 10.2955 10.3312 10.3312 k = 0.0320 0.0903-0.0000 ( 3889 PWs) bands (ev): -33.4741 -33.4741 -33.4627 -33.4627 -14.7449 -14.7449 -14.6928 -14.6928 -14.3848 -14.3848 -14.3470 -14.3470 -14.3131 -14.3131 -14.3124 -14.3124 2.4017 2.4017 2.7047 2.7047 2.7253 2.7253 2.9099 2.9099 2.9506 2.9506 3.3669 3.3669 3.5968 3.5968 3.6298 3.6298 3.7572 3.7572 3.9543 3.9543 4.0664 4.0664 6.6408 6.6408 7.9722 7.9722 9.4917 9.4917 9.5749 9.5749 10.2318 10.2318 10.3238 10.3238 k = 0.0384 0.1083-0.0000 ( 3885 PWs) bands (ev): -33.4740 -33.4740 -33.4627 -33.4627 -14.7450 -14.7450 -14.6933 -14.6933 -14.3846 -14.3846 -14.3476 -14.3476 -14.3133 -14.3133 -14.3128 -14.3128 2.4143 2.4143 2.7056 2.7056 2.7262 2.7262 2.9184 2.9184 2.9508 2.9508 3.3655 3.3655 3.5949 3.5949 3.6352 3.6352 3.7580 3.7580 3.9540 3.9540 4.0654 4.0654 6.6539 6.6539 7.9707 7.9707 9.4833 9.4833 9.5691 9.5691 10.1661 10.1661 10.3166 10.3166 k = 0.0448 0.1264-0.0000 ( 3885 PWs) bands (ev): -33.4739 -33.4739 -33.4627 -33.4627 -14.7450 -14.7450 -14.6938 -14.6938 -14.3844 -14.3844 -14.3483 -14.3483 -14.3141 -14.3141 -14.3129 -14.3129 2.4288 2.4288 2.7066 2.7066 2.7272 2.7272 2.9282 2.9282 2.9514 2.9514 3.3639 3.3639 3.5930 3.5930 3.6412 3.6412 3.7589 3.7589 3.9537 3.9537 4.0642 4.0642 6.6695 6.6695 7.9685 7.9685 9.4725 9.4725 9.5616 9.5616 10.0988 10.0988 10.3098 10.3098 k = 0.0512 0.1444-0.0000 ( 3871 PWs) bands (ev): -33.4738 -33.4738 -33.4626 -33.4626 -14.7451 -14.7451 -14.6943 -14.6943 -14.3841 -14.3841 -14.3491 -14.3491 -14.3150 -14.3150 -14.3129 -14.3129 2.4449 2.4449 2.7078 2.7078 2.7283 2.7283 2.9379 2.9379 2.9541 2.9541 3.3621 3.3621 3.5911 3.5911 3.6481 3.6481 3.7600 3.7600 3.9533 3.9533 4.0629 4.0629 6.6874 6.6874 7.9655 7.9655 9.4592 9.4592 9.5524 9.5524 10.0301 10.0301 10.3040 10.3040 k = 0.0576 0.1625-0.0000 ( 3867 PWs) bands (ev): -33.4736 -33.4736 -33.4626 -33.4626 -14.7451 -14.7451 -14.6950 -14.6950 -14.3838 -14.3838 -14.3499 -14.3499 -14.3160 -14.3160 -14.3130 -14.3130 2.4624 2.4624 2.7091 2.7091 2.7296 2.7296 2.9434 2.9434 2.9632 2.9632 3.3599 3.3599 3.5893 3.5893 3.6557 3.6557 3.7612 3.7612 3.9530 3.9530 4.0614 4.0614 6.7077 6.7077 7.9614 7.9614 9.4430 9.4430 9.5412 9.5412 9.9600 9.9600 10.2998 10.2998 k = 0.0639 0.1805-0.0000 ( 3869 PWs) bands (ev): -33.4735 -33.4735 -33.4626 -33.4626 -14.7452 -14.7452 -14.6957 -14.6957 -14.3835 -14.3835 -14.3508 -14.3508 -14.3172 -14.3172 -14.3130 -14.3130 2.4810 2.4810 2.7105 2.7105 2.7311 2.7311 2.9446 2.9446 2.9786 2.9786 3.3574 3.3574 3.5876 3.5876 3.6640 3.6640 3.7625 3.7625 3.9526 3.9526 4.0598 4.0598 6.7303 6.7303 7.9560 7.9560 9.4233 9.4233 9.5280 9.5280 9.8888 9.8888 10.2976 10.2976 k = 0.0703 0.1986-0.0000 ( 3869 PWs) bands (ev): -33.4733 -33.4733 -33.4626 -33.4626 -14.7453 -14.7453 -14.6965 -14.6965 -14.3831 -14.3831 -14.3517 -14.3517 -14.3185 -14.3185 -14.3131 -14.3131 2.5005 2.5005 2.7121 2.7121 2.7327 2.7327 2.9443 2.9443 2.9979 2.9979 3.3546 3.3546 3.5860 3.5860 3.6732 3.6732 3.7640 3.7640 3.9523 3.9523 4.0579 4.0579 6.7553 6.7553 7.9487 7.9487 9.4000 9.4000 9.5126 9.5126 9.8168 9.8168 10.2979 10.2979 k = 0.0767 0.2166-0.0000 ( 3871 PWs) bands (ev): -33.4732 -33.4732 -33.4626 -33.4626 -14.7454 -14.7454 -14.6974 -14.6974 -14.3828 -14.3828 -14.3528 -14.3528 -14.3199 -14.3199 -14.3132 -14.3132 2.5203 2.5203 2.7138 2.7138 2.7344 2.7344 2.9436 2.9436 3.0202 3.0202 3.3515 3.3515 3.5847 3.5847 3.6832 3.6832 3.7657 3.7657 3.9520 3.9520 4.0559 4.0559 6.7825 6.7825 7.9393 7.9393 9.3727 9.3727 9.4951 9.4951 9.7446 9.7446 10.3010 10.3010 k = 0.0831 0.2347-0.0000 ( 3869 PWs) bands (ev): -33.4730 -33.4730 -33.4626 -33.4626 -14.7455 -14.7455 -14.6983 -14.6983 -14.3824 -14.3824 -14.3538 -14.3538 -14.3213 -14.3213 -14.3133 -14.3133 2.5403 2.5403 2.7156 2.7156 2.7363 2.7363 2.9424 2.9424 3.0455 3.0455 3.3483 3.3483 3.5837 3.5837 3.6939 3.6939 3.7675 3.7675 3.9518 3.9518 4.0537 4.0537 6.8121 6.8121 7.9273 7.9273 9.3412 9.3412 9.4755 9.4755 9.6726 9.6726 10.3069 10.3069 k = 0.0895 0.2528-0.0000 ( 3865 PWs) bands (ev): -33.4728 -33.4728 -33.4625 -33.4625 -14.7456 -14.7456 -14.6993 -14.6993 -14.3820 -14.3820 -14.3549 -14.3549 -14.3228 -14.3228 -14.3133 -14.3133 2.5600 2.5600 2.7175 2.7175 2.7384 2.7384 2.9411 2.9411 3.0736 3.0736 3.3450 3.3450 3.5833 3.5833 3.7053 3.7053 3.7696 3.7696 3.9517 3.9517 4.0515 4.0515 6.8440 6.8440 7.9120 7.9120 9.3050 9.3050 9.4539 9.4539 9.6015 9.6015 10.3159 10.3159 k = 0.0959 0.2708-0.0000 ( 3859 PWs) bands (ev): -33.4726 -33.4726 -33.4625 -33.4625 -14.7456 -14.7456 -14.7003 -14.7003 -14.3816 -14.3816 -14.3559 -14.3559 -14.3244 -14.3244 -14.3134 -14.3134 2.5791 2.5791 2.7196 2.7196 2.7407 2.7407 2.9394 2.9394 3.1045 3.1045 3.3416 3.3416 3.5836 3.5836 3.7174 3.7174 3.7719 3.7719 3.9517 3.9517 4.0490 4.0490 6.8781 6.8781 7.8929 7.8929 9.2642 9.2642 9.4303 9.4303 9.5323 9.5323 10.3280 10.3280 k = 0.1023 0.2889-0.0000 ( 3859 PWs) bands (ev): -33.4724 -33.4724 -33.4625 -33.4625 -14.7458 -14.7458 -14.7013 -14.7013 -14.3812 -14.3812 -14.3570 -14.3570 -14.3259 -14.3259 -14.3136 -14.3136 2.5975 2.5975 2.7218 2.7218 2.7431 2.7431 2.9375 2.9375 3.1378 3.1378 3.3384 3.3384 3.5850 3.5850 3.7300 3.7300 3.7745 3.7745 3.9518 3.9518 4.0464 4.0464 6.9143 6.9143 7.8692 7.8692 9.2185 9.2185 9.4047 9.4047 9.4664 9.4664 10.3429 10.3429 k = 0.1087 0.3069-0.0000 ( 3859 PWs) bands (ev): -33.4721 -33.4721 -33.4625 -33.4625 -14.7458 -14.7458 -14.7025 -14.7025 -14.3808 -14.3808 -14.3581 -14.3581 -14.3275 -14.3275 -14.3138 -14.3138 2.6148 2.6148 2.7240 2.7240 2.7456 2.7456 2.9355 2.9355 3.1726 3.1726 3.3358 3.3358 3.5878 3.5878 3.7430 3.7430 3.7776 3.7776 3.9520 3.9520 4.0437 4.0437 6.9527 6.9527 7.8404 7.8404 9.1680 9.1680 9.3748 9.3748 9.4069 9.4069 10.3607 10.3607 k = 0.1151 0.3250-0.0000 ( 3857 PWs) bands (ev): -33.4719 -33.4719 -33.4625 -33.4625 -14.7459 -14.7459 -14.7036 -14.7036 -14.3804 -14.3804 -14.3592 -14.3592 -14.3291 -14.3291 -14.3140 -14.3140 2.6310 2.6310 2.7265 2.7265 2.7485 2.7485 2.9332 2.9332 3.2075 3.2075 3.3345 3.3345 3.5929 3.5929 3.7560 3.7560 3.7815 3.7815 3.9525 3.9525 4.0409 4.0409 6.9932 6.9932 7.8057 7.8057 9.1129 9.1129 9.3316 9.3316 9.3641 9.3641 10.3812 10.3812 k = 0.1215 0.3430-0.0000 ( 3855 PWs) bands (ev): -33.4717 -33.4717 -33.4625 -33.4625 -14.7460 -14.7460 -14.7048 -14.7048 -14.3800 -14.3800 -14.3601 -14.3601 -14.3308 -14.3308 -14.3142 -14.3142 2.6458 2.6458 2.7290 2.7290 2.7516 2.7516 2.9307 2.9307 3.2398 3.2398 3.3361 3.3361 3.6011 3.6011 3.7687 3.7687 3.7867 3.7867 3.9532 3.9532 4.0379 4.0379 7.0356 7.0356 7.7645 7.7645 9.0533 9.0533 9.2805 9.2805 9.3337 9.3337 10.4043 10.4043 k = 0.1279 0.3611-0.0000 ( 3853 PWs) bands (ev): -33.4715 -33.4715 -33.4625 -33.4625 -14.7460 -14.7460 -14.7061 -14.7061 -14.3796 -14.3796 -14.3611 -14.3611 -14.3324 -14.3324 -14.3145 -14.3145 2.6593 2.6593 2.7315 2.7315 2.7550 2.7550 2.9281 2.9281 3.2646 3.2646 3.3438 3.3438 3.6136 3.6136 3.7798 3.7798 3.7946 3.7946 3.9542 3.9542 4.0349 4.0349 7.0798 7.0798 7.7165 7.7165 8.9896 8.9896 9.2323 9.2323 9.3059 9.3059 10.4297 10.4297 k = 0.1343 0.3791-0.0000 ( 3853 PWs) bands (ev): -33.4712 -33.4712 -33.4625 -33.4625 -14.7461 -14.7461 -14.7073 -14.7073 -14.3793 -14.3793 -14.3620 -14.3620 -14.3339 -14.3339 -14.3149 -14.3149 2.6713 2.6713 2.7341 2.7341 2.7588 2.7588 2.9253 2.9253 3.2781 3.2781 3.3596 3.3596 3.6316 3.6316 3.7894 3.7894 3.8057 3.8057 3.9556 3.9556 4.0317 4.0317 7.1257 7.1257 7.6615 7.6615 8.9220 8.9220 9.1896 9.1896 9.2788 9.2788 10.4573 10.4573 k = 0.1407 0.3972-0.0000 ( 3860 PWs) bands (ev): -33.4710 -33.4710 -33.4625 -33.4625 -14.7461 -14.7461 -14.7086 -14.7086 -14.3790 -14.3790 -14.3629 -14.3629 -14.3355 -14.3355 -14.3152 -14.3152 2.6819 2.6819 2.7367 2.7367 2.7631 2.7631 2.9223 2.9223 3.2823 3.2823 3.3795 3.3795 3.6554 3.6554 3.7996 3.7996 3.8186 3.8186 3.9578 3.9578 4.0285 4.0285 7.1728 7.1728 7.5994 7.5994 8.8510 8.8510 9.1531 9.1531 9.2523 9.2523 10.4870 10.4870 k = 0.1471 0.4152-0.0000 ( 3858 PWs) bands (ev): -33.4707 -33.4707 -33.4625 -33.4625 -14.7461 -14.7461 -14.7099 -14.7099 -14.3788 -14.3788 -14.3637 -14.3637 -14.3370 -14.3370 -14.3156 -14.3156 2.6912 2.6912 2.7391 2.7391 2.7678 2.7678 2.9193 2.9193 3.2819 3.2819 3.3978 3.3978 3.6835 3.6835 3.8141 3.8141 3.8322 3.8322 3.9611 3.9611 4.0253 4.0253 7.2207 7.2207 7.5309 7.5309 8.7773 8.7773 9.1230 9.1230 9.2266 9.2266 10.5186 10.5186 k = 0.1535 0.4333-0.0000 ( 3844 PWs) bands (ev): -33.4705 -33.4705 -33.4625 -33.4625 -14.7461 -14.7461 -14.7112 -14.7112 -14.3785 -14.3785 -14.3644 -14.3644 -14.3383 -14.3383 -14.3159 -14.3159 2.6993 2.6993 2.7415 2.7415 2.7730 2.7730 2.9162 2.9162 3.2795 3.2795 3.4120 3.4120 3.7110 3.7110 3.8362 3.8362 3.8464 3.8464 3.9666 3.9666 4.0220 4.0220 7.2679 7.2679 7.4574 7.4574 8.7015 8.7015 9.0991 9.0991 9.2019 9.2019 10.5519 10.5519 k = 0.1599 0.4514-0.0000 ( 3844 PWs) bands (ev): -33.4702 -33.4702 -33.4626 -33.4626 -14.7461 -14.7461 -14.7125 -14.7125 -14.3784 -14.3784 -14.3650 -14.3650 -14.3396 -14.3396 -14.3164 -14.3164 2.7063 2.7063 2.7437 2.7437 2.7785 2.7785 2.9130 2.9130 3.2761 3.2761 3.4219 3.4219 3.7326 3.7326 3.8575 3.8575 3.8704 3.8704 3.9774 3.9774 4.0187 4.0187 7.3065 7.3065 7.3867 7.3867 8.6246 8.6246 9.0809 9.0809 9.1785 9.1785 10.5866 10.5866 k = 0.1663 0.4694-0.0000 ( 3832 PWs) bands (ev): -33.4700 -33.4700 -33.4626 -33.4626 -14.7459 -14.7459 -14.7137 -14.7137 -14.3782 -14.3782 -14.3656 -14.3656 -14.3408 -14.3408 -14.3168 -14.3168 2.7125 2.7125 2.7457 2.7457 2.7843 2.7843 2.9098 2.9098 3.2724 3.2724 3.4284 3.4284 3.7472 3.7472 3.8707 3.8707 3.9036 3.9036 4.0005 4.0005 4.0161 4.0161 7.2726 7.2726 7.3828 7.3828 8.5478 8.5478 9.0677 9.0677 9.1569 9.1569 10.6229 10.6300 k = 0.1727 0.4875-0.0000 ( 3832 PWs) bands (ev): -33.4697 -33.4697 -33.4626 -33.4626 -14.7459 -14.7459 -14.7150 -14.7150 -14.3781 -14.3781 -14.3661 -14.3661 -14.3419 -14.3419 -14.3173 -14.3173 2.7179 2.7179 2.7474 2.7474 2.7902 2.7902 2.9065 2.9065 3.2684 3.2684 3.4323 3.4323 3.7567 3.7567 3.8825 3.8825 3.9262 3.9262 4.0113 4.0113 4.0480 4.0480 7.1879 7.1879 7.4231 7.4231 8.4730 8.4730 9.0584 9.0584 9.1376 9.1376 10.6188 10.6188 k = 0.1790 0.5055-0.0000 ( 3836 PWs) bands (ev): -33.4695 -33.4695 -33.4627 -33.4627 -14.7457 -14.7457 -14.7162 -14.7162 -14.3781 -14.3781 -14.3666 -14.3666 -14.3429 -14.3429 -14.3178 -14.3178 2.7227 2.7227 2.7490 2.7490 2.7961 2.7961 2.9033 2.9033 3.2645 3.2645 3.4343 3.4343 3.7634 3.7634 3.8932 3.8932 3.9384 3.9384 4.0082 4.0082 4.1127 4.1127 7.0956 7.0956 7.4633 7.4633 8.4026 8.4026 9.0513 9.0513 9.1221 9.1221 10.5901 10.5901 k = 0.1854 0.5236-0.0000 ( 3844 PWs) bands (ev): -33.4693 -33.4693 -33.4627 -33.4627 -14.7456 -14.7456 -14.7175 -14.7175 -14.3781 -14.3781 -14.3671 -14.3671 -14.3438 -14.3438 -14.3184 -14.3184 2.7271 2.7271 2.7504 2.7504 2.8018 2.8018 2.9001 2.9001 3.2605 3.2605 3.4350 3.4350 3.7684 3.7684 3.9026 3.9026 3.9459 3.9459 4.0049 4.0049 4.1884 4.1884 7.0000 7.0000 7.4966 7.4966 8.3402 8.3402 9.0441 9.0441 9.1123 9.1123 10.5627 10.5627 k = 0.1918 0.5416-0.0000 ( 3840 PWs) bands (ev): -33.4690 -33.4690 -33.4628 -33.4628 -14.7454 -14.7454 -14.7187 -14.7187 -14.3780 -14.3780 -14.3675 -14.3675 -14.3445 -14.3445 -14.3189 -14.3189 2.7311 2.7311 2.7516 2.7516 2.8073 2.8073 2.8970 2.8970 3.2568 3.2568 3.4349 3.4349 3.7724 3.7724 3.9105 3.9105 3.9519 3.9519 4.0017 4.0017 4.2706 4.2706 6.9027 6.9027 7.5180 7.5180 8.2905 8.2905 9.0348 9.0348 9.1096 9.1096 10.5371 10.5371 k = 0.1982 0.5597-0.0000 ( 3848 PWs) bands (ev): -33.4688 -33.4688 -33.4629 -33.4629 -14.7451 -14.7451 -14.7199 -14.7199 -14.3780 -14.3780 -14.3679 -14.3679 -14.3451 -14.3451 -14.3195 -14.3195 2.7348 2.7348 2.7526 2.7526 2.8126 2.8126 2.8940 2.8940 3.2532 3.2532 3.4342 3.4342 3.7758 3.7758 3.9168 3.9168 3.9573 3.9573 3.9985 3.9985 4.3571 4.3571 6.8048 6.8048 7.5223 7.5223 8.2590 8.2590 9.0232 9.0232 9.1140 9.1140 10.5134 10.5134 k = 0.2046 0.5777-0.0000 ( 3846 PWs) bands (ev): -33.4686 -33.4686 -33.4630 -33.4630 -14.7448 -14.7448 -14.7210 -14.7210 -14.3780 -14.3780 -14.3682 -14.3682 -14.3456 -14.3456 -14.3201 -14.3201 2.7382 2.7382 2.7534 2.7534 2.8176 2.8176 2.8911 2.8911 3.2499 3.2499 3.4330 3.4330 3.7787 3.7787 3.9217 3.9217 3.9625 3.9625 3.9956 3.9956 4.4465 4.4465 6.7074 6.7074 7.5054 7.5054 8.2497 8.2497 9.0105 9.0105 9.1239 9.1239 10.4915 10.4915 k = 0.2110 0.5958-0.0000 ( 3852 PWs) bands (ev): -33.4684 -33.4684 -33.4631 -33.4631 -14.7445 -14.7445 -14.7221 -14.7221 -14.3780 -14.3780 -14.3686 -14.3686 -14.3459 -14.3459 -14.3208 -14.3208 2.7415 2.7415 2.7541 2.7541 2.8222 2.8222 2.8884 2.8884 3.2468 3.2468 3.4315 3.4315 3.7813 3.7813 3.9254 3.9254 3.9673 3.9673 3.9928 3.9928 4.5376 4.5376 6.6115 6.6115 7.4670 7.4670 8.2633 8.2633 8.9977 8.9977 9.1379 9.1379 10.4715 10.4715 k = 0.2174 0.6138-0.0000 ( 3848 PWs) bands (ev): -33.4681 -33.4681 -33.4632 -33.4632 -14.7442 -14.7442 -14.7231 -14.7231 -14.3779 -14.3779 -14.3689 -14.3689 -14.3460 -14.3460 -14.3214 -14.3214 2.7445 2.7445 2.7547 2.7547 2.8265 2.8265 2.8860 2.8860 3.2441 3.2441 3.4298 3.4298 3.7837 3.7837 3.9280 3.9280 3.9714 3.9714 3.9905 3.9905 4.6292 4.6292 6.5186 6.5186 7.4101 7.4101 8.2968 8.2968 8.9856 8.9856 9.1552 9.1552 10.4535 10.4535 k = 0.2238 0.6319-0.0000 ( 3848 PWs) bands (ev): -33.4679 -33.4679 -33.4633 -33.4633 -14.7437 -14.7437 -14.7240 -14.7240 -14.3777 -14.3777 -14.3692 -14.3692 -14.3461 -14.3461 -14.3221 -14.3221 2.7474 2.7474 2.7550 2.7550 2.8304 2.8304 2.8837 2.8837 3.2417 3.2417 3.4281 3.4281 3.7859 3.7859 3.9298 3.9298 3.9742 3.9742 3.9888 3.9888 4.7199 4.7199 6.4301 6.4301 7.3394 7.3394 8.3458 8.3458 8.9745 8.9745 9.1751 9.1751 10.4373 10.4373 k = 0.2302 0.6499-0.0000 ( 3846 PWs) bands (ev): -33.4677 -33.4677 -33.4634 -33.4634 -14.7432 -14.7432 -14.7250 -14.7250 -14.3776 -14.3776 -14.3694 -14.3694 -14.3461 -14.3461 -14.3228 -14.3228 2.7500 2.7500 2.7553 2.7553 2.8339 2.8339 2.8818 2.8818 3.2396 3.2396 3.4263 3.4263 3.7878 3.7878 3.9309 3.9309 3.9753 3.9753 3.9882 3.9882 4.8076 4.8076 6.3482 6.3482 7.2589 7.2589 8.4062 8.4062 8.9646 8.9646 9.1971 9.1971 10.4229 10.4229 k = 0.2366 0.6680-0.0000 ( 3844 PWs) bands (ev): -33.4676 -33.4676 -33.4636 -33.4636 -14.7427 -14.7427 -14.7258 -14.7258 -14.3774 -14.3774 -14.3695 -14.3695 -14.3459 -14.3459 -14.3235 -14.3235 2.7524 2.7524 2.7555 2.7555 2.8370 2.8370 2.8801 2.8801 3.2379 3.2379 3.4246 3.4246 3.7896 3.7896 3.9315 3.9315 3.9748 3.9748 3.9884 3.9884 4.8899 4.8899 6.2755 6.2755 7.1719 7.1719 8.4748 8.4748 8.9563 8.9563 9.2210 9.2210 10.4105 10.4105 k = 0.2430 0.6861-0.0000 ( 3844 PWs) bands (ev): -33.4674 -33.4674 -33.4637 -33.4637 -14.7421 -14.7421 -14.7266 -14.7266 -14.3771 -14.3771 -14.3696 -14.3696 -14.3457 -14.3457 -14.3242 -14.3242 2.7543 2.7543 2.7558 2.7558 2.8397 2.8397 2.8787 2.8787 3.2365 3.2365 3.4229 3.4229 3.7913 3.7913 3.9315 3.9315 3.9732 3.9732 3.9887 3.9887 4.9633 4.9633 6.2158 6.2158 7.0807 7.0807 8.5492 8.5492 8.9495 8.9495 9.2464 9.2464 10.3999 10.3999 k = 0.2494 0.7041-0.0000 ( 3838 PWs) bands (ev): -33.4672 -33.4672 -33.4639 -33.4639 -14.7415 -14.7415 -14.7273 -14.7273 -14.3769 -14.3769 -14.3695 -14.3695 -14.3454 -14.3454 -14.3249 -14.3249 2.7547 2.7547 2.7574 2.7574 2.8420 2.8420 2.8777 2.8777 3.2355 3.2355 3.4213 3.4213 3.7928 3.7928 3.9310 3.9310 3.9712 3.9712 3.9885 3.9885 5.0233 5.0233 6.1735 6.1735 6.9868 6.9868 8.6278 8.6278 8.9448 8.9448 9.2731 9.2731 10.3912 10.3912 k = 0.2558 0.7222-0.0000 ( 3842 PWs) bands (ev): -33.4670 -33.4670 -33.4640 -33.4640 -14.7408 -14.7408 -14.7279 -14.7279 -14.3766 -14.3766 -14.3694 -14.3694 -14.3451 -14.3451 -14.3256 -14.3256 2.7544 2.7544 2.7592 2.7592 2.8438 2.8438 2.8771 2.8771 3.2349 3.2349 3.4198 3.4198 3.7942 3.7942 3.9299 3.9299 3.9690 3.9690 3.9877 3.9877 5.0650 5.0650 6.1537 6.1537 6.8913 6.8913 8.7087 8.7087 8.9426 8.9426 9.3008 9.3008 10.3842 10.3842 k = 0.2622 0.7402-0.0000 ( 3848 PWs) bands (ev): -33.4669 -33.4669 -33.4642 -33.4642 -14.7401 -14.7401 -14.7285 -14.7285 -14.3763 -14.3763 -14.3691 -14.3691 -14.3448 -14.3448 -14.3264 -14.3264 2.7540 2.7540 2.7609 2.7609 2.8451 2.8451 2.8768 2.8768 3.2346 3.2346 3.4185 3.4185 3.7954 3.7954 3.9281 3.9281 3.9665 3.9665 3.9862 3.9862 5.0847 5.0847 6.1603 6.1603 6.7949 6.7949 8.7893 8.7893 8.9449 8.9449 9.3295 9.3295 10.3790 10.3790 k = 0.2686 0.7583-0.0000 ( 3848 PWs) bands (ev): -33.4668 -33.4668 -33.4644 -33.4644 -14.7394 -14.7394 -14.7290 -14.7290 -14.3760 -14.3760 -14.3688 -14.3688 -14.3444 -14.3444 -14.3271 -14.3271 2.7534 2.7534 2.7624 2.7624 2.8460 2.8460 2.8771 2.8771 3.2347 3.2347 3.4174 3.4174 3.7964 3.7964 3.9258 3.9258 3.9637 3.9637 3.9841 3.9841 5.0813 5.0813 6.1945 6.1945 6.6984 6.6984 8.8608 8.8608 8.9595 8.9595 9.3588 9.3588 10.3755 10.3755 k = 0.2750 0.7763-0.0000 ( 3848 PWs) bands (ev): -33.4666 -33.4666 -33.4646 -33.4646 -14.7386 -14.7386 -14.7294 -14.7294 -14.3757 -14.3757 -14.3682 -14.3682 -14.3440 -14.3440 -14.3278 -14.3278 2.7527 2.7527 2.7637 2.7637 2.8464 2.8464 2.8777 2.8777 3.2352 3.2352 3.4164 3.4164 3.7974 3.7974 3.9226 3.9226 3.9603 3.9603 3.9818 3.9818 5.0573 5.0573 6.2538 6.2538 6.6022 6.6022 8.9010 8.9010 9.0082 9.0082 9.3886 9.3886 10.3737 10.3737 k = 0.2814 0.7944-0.0000 ( 3856 PWs) bands (ev): -33.4665 -33.4665 -33.4648 -33.4648 -14.7378 -14.7378 -14.7298 -14.7298 -14.3753 -14.3753 -14.3676 -14.3676 -14.3436 -14.3436 -14.3285 -14.3285 2.7518 2.7518 2.7648 2.7648 2.8464 2.8464 2.8788 2.8788 3.2360 3.2360 3.4156 3.4156 3.7981 3.7981 3.9187 3.9187 3.9559 3.9559 3.9796 3.9796 5.0172 5.0172 6.3339 6.3339 6.5067 6.5067 8.9146 8.9146 9.0854 9.0854 9.4187 9.4187 10.3735 10.3735 k = 0.2814 0.7944-0.0000 ( 3856 PWs) bands (ev): -33.4665 -33.4665 -33.4648 -33.4648 -14.7378 -14.7378 -14.7298 -14.7298 -14.3753 -14.3753 -14.3676 -14.3676 -14.3436 -14.3436 -14.3285 -14.3285 2.7518 2.7518 2.7648 2.7648 2.8464 2.8464 2.8788 2.8788 3.2360 3.2360 3.4156 3.4156 3.7981 3.7981 3.9187 3.9187 3.9559 3.9559 3.9796 3.9796 5.0172 5.0172 6.3339 6.3339 6.5067 6.5067 8.9146 8.9146 9.0854 9.0854 9.4187 9.4187 10.3735 10.3735 k = 0.2626 0.7944-0.0000 ( 3856 PWs) bands (ev): -33.4666 -33.4666 -33.4647 -33.4647 -14.7381 -14.7381 -14.7297 -14.7297 -14.3755 -14.3755 -14.3678 -14.3678 -14.3438 -14.3438 -14.3283 -14.3283 2.7521 2.7521 2.7645 2.7645 2.8464 2.8464 2.8784 2.8784 3.2357 3.2357 3.4159 3.4159 3.7978 3.7978 3.9202 3.9202 3.9575 3.9575 3.9803 3.9803 5.0308 5.0308 6.2955 6.2955 6.5519 6.5519 8.9110 8.9110 9.0518 9.0518 9.4132 9.4132 10.3719 10.3719 k = 0.2438 0.7944-0.0000 ( 3843 PWs) bands (ev): -33.4666 -33.4666 -33.4646 -33.4646 -14.7384 -14.7384 -14.7295 -14.7295 -14.3757 -14.3757 -14.3679 -14.3679 -14.3440 -14.3440 -14.3279 -14.3279 2.7523 2.7523 2.7640 2.7640 2.8462 2.8462 2.8782 2.8782 3.2355 3.2355 3.4163 3.4163 3.7977 3.7977 3.9220 3.9220 3.9588 3.9588 3.9811 3.9811 5.0413 5.0413 6.2491 6.2491 6.6143 6.6143 8.9033 8.9033 9.0093 9.0093 9.4152 9.4152 10.3677 10.3677 k = 0.2251 0.7944-0.0000 ( 3837 PWs) bands (ev): -33.4667 -33.4667 -33.4645 -33.4645 -14.7387 -14.7387 -14.7292 -14.7292 -14.3759 -14.3759 -14.3680 -14.3680 -14.3442 -14.3442 -14.3276 -14.3276 2.7526 2.7526 2.7636 2.7636 2.8459 2.8459 2.8779 2.8779 3.2354 3.2354 3.4168 3.4168 3.7975 3.7975 3.9240 3.9240 3.9599 3.9599 3.9818 3.9818 5.0493 5.0493 6.2020 6.2020 6.6863 6.6863 8.8816 8.8816 8.9709 8.9709 9.4220 9.4220 10.3609 10.3609 k = 0.2063 0.7944-0.0000 ( 3838 PWs) bands (ev): -33.4667 -33.4667 -33.4644 -33.4644 -14.7391 -14.7391 -14.7290 -14.7290 -14.3761 -14.3761 -14.3680 -14.3680 -14.3445 -14.3445 -14.3272 -14.3272 2.7528 2.7528 2.7630 2.7630 2.8455 2.8455 2.8778 2.8778 3.2353 3.2353 3.4174 3.4174 3.7973 3.7973 3.9261 3.9261 3.9609 3.9609 3.9824 3.9824 5.0552 5.0552 6.1565 6.1565 6.7648 6.7648 8.8334 8.8334 8.9515 8.9515 9.4315 9.4315 10.3517 10.3517 k = 0.1876 0.7944-0.0000 ( 3835 PWs) bands (ev): -33.4668 -33.4668 -33.4643 -33.4643 -14.7394 -14.7394 -14.7288 -14.7288 -14.3764 -14.3764 -14.3679 -14.3679 -14.3448 -14.3448 -14.3268 -14.3268 2.7530 2.7530 2.7624 2.7624 2.8450 2.8450 2.8777 2.8777 3.2352 3.2352 3.4180 3.4180 3.7971 3.7971 3.9284 3.9284 3.9616 3.9616 3.9830 3.9830 5.0595 5.0595 6.1137 6.1137 6.8486 6.8486 8.7656 8.7656 8.9456 8.9456 9.4422 9.4422 10.3407 10.3407 k = 0.1688 0.7944-0.0000 ( 3835 PWs) bands (ev): -33.4669 -33.4669 -33.4643 -33.4643 -14.7397 -14.7397 -14.7286 -14.7286 -14.3767 -14.3767 -14.3679 -14.3679 -14.3451 -14.3451 -14.3264 -14.3264 2.7531 2.7531 2.7618 2.7618 2.8444 2.8444 2.8776 2.8776 3.2352 3.2352 3.4187 3.4187 3.7969 3.7969 3.9308 3.9308 3.9622 3.9622 3.9835 3.9835 5.0624 5.0624 6.0739 6.0739 6.9366 6.9366 8.6879 8.6879 8.9449 8.9449 9.4532 9.4532 10.3283 10.3283 k = 0.1501 0.7944-0.0000 ( 3833 PWs) bands (ev): -33.4669 -33.4669 -33.4642 -33.4642 -14.7400 -14.7400 -14.7283 -14.7283 -14.3770 -14.3770 -14.3678 -14.3678 -14.3454 -14.3454 -14.3260 -14.3260 2.7533 2.7533 2.7612 2.7612 2.8438 2.8438 2.8775 2.8775 3.2352 3.2352 3.4193 3.4193 3.7968 3.7968 3.9334 3.9334 3.9626 3.9626 3.9839 3.9839 5.0644 5.0644 6.0377 6.0377 7.0281 7.0281 8.6042 8.6042 8.9461 8.9461 9.4639 9.4639 10.3152 10.3152 k = 0.1313 0.7944-0.0000 ( 3836 PWs) bands (ev): -33.4670 -33.4670 -33.4641 -33.4641 -14.7403 -14.7403 -14.7282 -14.7282 -14.3772 -14.3772 -14.3677 -14.3677 -14.3457 -14.3457 -14.3257 -14.3257 2.7535 2.7535 2.7606 2.7606 2.8431 2.8431 2.8775 2.8775 3.2352 3.2352 3.4199 3.4199 3.7967 3.7967 3.9359 3.9359 3.9629 3.9629 3.9842 3.9842 5.0656 5.0656 6.0052 6.0052 7.1225 7.1225 8.5161 8.5161 8.9483 8.9483 9.4739 9.4739 10.3019 10.3019 k = 0.1125 0.7944-0.0000 ( 3844 PWs) bands (ev): -33.4671 -33.4671 -33.4641 -33.4641 -14.7406 -14.7406 -14.7280 -14.7280 -14.3775 -14.3775 -14.3676 -14.3676 -14.3460 -14.3460 -14.3254 -14.3254 2.7538 2.7538 2.7599 2.7599 2.8425 2.8425 2.8775 2.8775 3.2352 3.2352 3.4205 3.4205 3.7966 3.7966 3.9384 3.9384 3.9629 3.9629 3.9844 3.9844 5.0664 5.0664 5.9766 5.9766 7.2193 7.2193 8.4245 8.4245 8.9509 8.9509 9.4830 9.4830 10.2890 10.2890 k = 0.0938 0.7944-0.0000 ( 3841 PWs) bands (ev): -33.4671 -33.4671 -33.4640 -33.4640 -14.7408 -14.7408 -14.7279 -14.7279 -14.3777 -14.3777 -14.3675 -14.3675 -14.3462 -14.3462 -14.3251 -14.3251 2.7540 2.7540 2.7594 2.7594 2.8420 2.8420 2.8775 2.8775 3.2352 3.2352 3.4211 3.4211 3.7965 3.7965 3.9409 3.9409 3.9627 3.9627 3.9846 3.9846 5.0667 5.0667 5.9521 5.9521 7.3180 7.3180 8.3301 8.3301 8.9536 8.9536 9.4909 9.4909 10.2771 10.2771 k = 0.0750 0.7944-0.0000 ( 3839 PWs) bands (ev): -33.4671 -33.4671 -33.4640 -33.4640 -14.7410 -14.7410 -14.7277 -14.7277 -14.3779 -14.3779 -14.3674 -14.3674 -14.3464 -14.3464 -14.3249 -14.3249 2.7543 2.7543 2.7588 2.7588 2.8415 2.8415 2.8775 2.8775 3.2353 3.2353 3.4215 3.4215 3.7965 3.7965 3.9432 3.9432 3.9625 3.9625 3.9847 3.9847 5.0669 5.0669 5.9319 5.9319 7.4180 7.4180 8.2335 8.2335 8.9560 8.9560 9.4976 9.4976 10.2666 10.2666 k = 0.0563 0.7944-0.0000 ( 3837 PWs) bands (ev): -33.4672 -33.4672 -33.4639 -33.4639 -14.7411 -14.7411 -14.7276 -14.7276 -14.3781 -14.3781 -14.3673 -14.3673 -14.3466 -14.3466 -14.3247 -14.3247 2.7547 2.7547 2.7582 2.7582 2.8411 2.8411 2.8775 2.8775 3.2353 3.2353 3.4219 3.4219 3.7964 3.7964 3.9453 3.9453 3.9621 3.9621 3.9847 3.9847 5.0669 5.0669 5.9160 5.9160 7.5189 7.5189 8.1353 8.1353 8.9582 8.9582 9.5029 9.5029 10.2580 10.2580 k = 0.0375 0.7944-0.0000 ( 3838 PWs) bands (ev): -33.4672 -33.4672 -33.4639 -33.4639 -14.7412 -14.7412 -14.7275 -14.7275 -14.3782 -14.3782 -14.3672 -14.3672 -14.3467 -14.3467 -14.3246 -14.3246 2.7550 2.7550 2.7578 2.7578 2.8408 2.8408 2.8776 2.8776 3.2354 3.2354 3.4221 3.4221 3.7964 3.7964 3.9469 3.9469 3.9616 3.9616 3.9847 3.9847 5.0669 5.0669 5.9046 5.9046 7.6199 7.6199 8.0362 8.0362 8.9598 8.9598 9.5067 9.5067 10.2517 10.2517 k = 0.0188 0.7944-0.0000 ( 3840 PWs) bands (ev): -33.4672 -33.4672 -33.4639 -33.4639 -14.7413 -14.7413 -14.7275 -14.7275 -14.3783 -14.3783 -14.3672 -14.3672 -14.3468 -14.3468 -14.3245 -14.3245 2.7552 2.7552 2.7574 2.7574 2.8406 2.8406 2.8776 2.8776 3.2354 3.2354 3.4223 3.4223 3.7964 3.7964 3.9480 3.9480 3.9612 3.9612 3.9847 3.9847 5.0668 5.0668 5.8977 5.8977 7.7189 7.7189 7.9383 7.9383 8.9608 8.9608 9.5091 9.5091 10.2477 10.2477 k = 0.0000 0.7944-0.0000 ( 3840 PWs) bands (ev): -33.4672 -33.4672 -33.4639 -33.4639 -14.7413 -14.7413 -14.7275 -14.7275 -14.3783 -14.3783 -14.3672 -14.3672 -14.3469 -14.3469 -14.3244 -14.3244 2.7553 2.7553 2.7573 2.7573 2.8405 2.8405 2.8776 2.8776 3.2354 3.2354 3.4224 3.4224 3.7964 3.7964 3.9484 3.9484 3.9611 3.9611 3.9847 3.9847 5.0668 5.0668 5.8954 5.8954 7.7895 7.7895 7.8681 7.8681 8.9611 8.9611 9.5098 9.5098 10.2464 10.2464 k = 0.0000 0.7944-0.0000 ( 3840 PWs) bands (ev): -33.4672 -33.4672 -33.4639 -33.4639 -14.7413 -14.7413 -14.7275 -14.7275 -14.3783 -14.3783 -14.3672 -14.3672 -14.3469 -14.3469 -14.3244 -14.3244 2.7553 2.7553 2.7573 2.7573 2.8405 2.8405 2.8776 2.8776 3.2354 3.2354 3.4224 3.4224 3.7964 3.7964 3.9484 3.9484 3.9611 3.9611 3.9847 3.9847 5.0668 5.0668 5.8954 5.8954 7.7895 7.7895 7.8681 7.8681 8.9611 8.9611 9.5098 9.5098 10.2464 10.2464 k = 0.0000 0.7944 0.0192 ( 3838 PWs) bands (ev): -33.4672 -33.4672 -33.4639 -33.4639 -14.7413 -14.7413 -14.7275 -14.7275 -14.3783 -14.3783 -14.3671 -14.3671 -14.3469 -14.3469 -14.3245 -14.3245 2.7504 2.7504 2.7620 2.7620 2.8410 2.8410 2.8777 2.8777 3.2351 3.2351 3.4232 3.4232 3.7959 3.7959 3.9397 3.9397 3.9674 3.9674 3.9870 3.9870 5.0674 5.0674 5.8976 5.8976 7.7906 7.7906 7.8670 7.8670 8.9593 8.9593 9.5079 9.5079 10.2446 10.2446 k = 0.0000 0.7944 0.0384 ( 3840 PWs) bands (ev): -33.4672 -33.4672 -33.4639 -33.4639 -14.7413 -14.7413 -14.7275 -14.7275 -14.3784 -14.3784 -14.3670 -14.3670 -14.3469 -14.3469 -14.3245 -14.3245 2.7446 2.7446 2.7672 2.7672 2.8422 2.8422 2.8780 2.8780 3.2342 3.2342 3.4256 3.4256 3.7945 3.7945 3.9260 3.9260 3.9732 3.9732 3.9948 3.9948 5.0692 5.0692 5.9042 5.9042 7.7941 7.7941 7.8637 7.8637 8.9540 8.9540 9.5020 9.5020 10.2391 10.2391 k = 0.0000 0.7944 0.0576 ( 3840 PWs) bands (ev): -33.4672 -33.4672 -33.4639 -33.4639 -14.7413 -14.7413 -14.7276 -14.7276 -14.3785 -14.3785 -14.3669 -14.3669 -14.3470 -14.3470 -14.3246 -14.3246 2.7388 2.7388 2.7722 2.7722 2.8440 2.8440 2.8789 2.8789 3.2328 3.2328 3.4294 3.4294 3.7921 3.7921 3.9116 3.9116 3.9758 3.9758 4.0063 4.0063 5.0723 5.0723 5.9150 5.9150 7.7998 7.7998 7.8583 7.8583 8.9452 8.9452 9.4924 9.4924 10.2300 10.2300 k = 0.0000 0.7944 0.0768 ( 3846 PWs) bands (ev): -33.4672 -33.4672 -33.4639 -33.4639 -14.7413 -14.7413 -14.7276 -14.7276 -14.3787 -14.3787 -14.3667 -14.3667 -14.3472 -14.3472 -14.3247 -14.3247 2.7332 2.7332 2.7768 2.7768 2.8458 2.8458 2.8806 2.8806 3.2311 3.2311 3.4346 3.4346 3.7889 3.7889 3.8969 3.8969 3.9773 3.9773 4.0189 4.0189 5.0767 5.0767 5.9301 5.9301 7.8075 7.8075 7.8508 7.8508 8.9334 8.9334 9.4791 9.4791 10.2173 10.2173 k = 0.0000 0.7944 0.0960 ( 3844 PWs) bands (ev): -33.4671 -33.4671 -33.4639 -33.4639 -14.7412 -14.7412 -14.7277 -14.7277 -14.3789 -14.3789 -14.3664 -14.3664 -14.3473 -14.3473 -14.3248 -14.3248 2.7277 2.7277 2.7811 2.7811 2.8472 2.8472 2.8834 2.8834 3.2292 3.2292 3.4408 3.4408 3.7850 3.7850 3.8824 3.8824 3.9786 3.9786 4.0316 4.0316 5.0824 5.0824 5.9493 5.9493 7.8162 7.8162 7.8422 7.8422 8.9188 8.9188 9.4622 9.4622 10.2012 10.2012 k = 0.0000 0.7944 0.1152 ( 3838 PWs) bands (ev): -33.4671 -33.4671 -33.4639 -33.4639 -14.7412 -14.7412 -14.7278 -14.7278 -14.3791 -14.3791 -14.3661 -14.3661 -14.3475 -14.3475 -14.3249 -14.3249 2.7227 2.7227 2.7850 2.7850 2.8477 2.8477 2.8877 2.8877 3.2273 3.2273 3.4480 3.4480 3.7805 3.7805 3.8680 3.8680 3.9799 3.9799 4.0439 4.0439 5.0894 5.0894 5.9724 5.9724 7.8187 7.8187 7.8395 7.8395 8.9019 8.9019 9.4419 9.4419 10.1820 10.1820 k = 0.0000 0.7944 0.1344 ( 3838 PWs) bands (ev): -33.4671 -33.4671 -33.4639 -33.4639 -14.7411 -14.7411 -14.7279 -14.7279 -14.3793 -14.3793 -14.3658 -14.3658 -14.3476 -14.3476 -14.3251 -14.3251 2.7180 2.7180 2.7887 2.7887 2.8472 2.8472 2.8932 2.8932 3.2256 3.2256 3.4558 3.4558 3.7756 3.7756 3.8539 3.8539 3.9812 3.9812 4.0557 4.0557 5.0980 5.0980 5.9993 5.9993 7.8068 7.8068 7.8507 7.8507 8.8832 8.8832 9.4185 9.4185 10.1596 10.1596 k = 0.0000 0.7944 0.1536 ( 3840 PWs) bands (ev): -33.4670 -33.4670 -33.4640 -33.4640 -14.7411 -14.7411 -14.7281 -14.7281 -14.3795 -14.3795 -14.3655 -14.3655 -14.3478 -14.3478 -14.3253 -14.3253 2.7137 2.7137 2.7920 2.7920 2.8461 2.8461 2.8996 2.8996 3.2242 3.2242 3.4640 3.4640 3.7704 3.7704 3.8403 3.8403 3.9826 3.9826 4.0667 4.0667 5.1081 5.1081 6.0297 6.0297 7.7890 7.7890 7.8672 7.8672 8.8632 8.8632 9.3920 9.3920 10.1344 10.1344 k = 0.0000 0.7944 0.1728 ( 3846 PWs) bands (ev): -33.4670 -33.4670 -33.4640 -33.4640 -14.7410 -14.7410 -14.7283 -14.7283 -14.3797 -14.3797 -14.3652 -14.3652 -14.3481 -14.3481 -14.3255 -14.3255 2.7099 2.7099 2.7951 2.7951 2.8444 2.8444 2.9065 2.9065 3.2233 3.2233 3.4724 3.4724 3.7649 3.7649 3.8272 3.8272 3.9840 3.9840 4.0770 4.0770 5.1198 5.1198 6.0635 6.0635 7.7677 7.7677 7.8865 7.8865 8.8426 8.8426 9.3627 9.3627 10.1066 10.1066 k = 0.0000 0.7944 0.1920 ( 3852 PWs) bands (ev): -33.4670 -33.4670 -33.4640 -33.4640 -14.7410 -14.7410 -14.7285 -14.7285 -14.3800 -14.3800 -14.3649 -14.3649 -14.3483 -14.3483 -14.3258 -14.3258 2.7066 2.7066 2.7978 2.7978 2.8424 2.8424 2.9135 2.9135 3.2232 3.2232 3.4808 3.4808 3.7594 3.7594 3.8147 3.8147 3.9854 3.9854 4.0863 4.0863 5.1333 5.1333 6.1004 6.1004 7.7430 7.7430 7.9081 7.9081 8.8219 8.8219 9.3308 9.3308 10.0764 10.0764 k = 0.0000 0.7944 0.2112 ( 3854 PWs) bands (ev): -33.4669 -33.4669 -33.4640 -33.4640 -14.7409 -14.7409 -14.7287 -14.7287 -14.3802 -14.3802 -14.3647 -14.3647 -14.3484 -14.3484 -14.3261 -14.3261 2.7039 2.7039 2.8001 2.8001 2.8405 2.8405 2.9203 2.9203 3.2239 3.2239 3.4891 3.4891 3.7541 3.7541 3.8030 3.8030 3.9870 3.9870 4.0947 4.0947 5.1486 5.1486 6.1400 6.1400 7.7152 7.7152 7.9318 7.9318 8.8017 8.8017 9.2964 9.2964 10.0443 10.0443 k = 0.0000 0.7944 0.2304 ( 3860 PWs) bands (ev): -33.4669 -33.4669 -33.4641 -33.4641 -14.7408 -14.7408 -14.7289 -14.7289 -14.3803 -14.3803 -14.3645 -14.3645 -14.3486 -14.3486 -14.3264 -14.3264 2.7017 2.7017 2.8019 2.8019 2.8387 2.8387 2.9266 2.9266 3.2256 3.2256 3.4969 3.4969 3.7489 3.7489 3.7922 3.7922 3.9885 3.9885 4.1021 4.1021 5.1658 5.1658 6.1821 6.1821 7.6842 7.6842 7.9575 7.9575 8.7825 8.7825 9.2596 9.2596 10.0104 10.0104 k = 0.0000 0.7944 0.2496 ( 3852 PWs) bands (ev): -33.4668 -33.4668 -33.4641 -33.4641 -14.7407 -14.7407 -14.7291 -14.7291 -14.3805 -14.3805 -14.3643 -14.3643 -14.3487 -14.3487 -14.3267 -14.3267 2.7001 2.7001 2.8032 2.8032 2.8373 2.8373 2.9321 2.9321 3.2285 3.2285 3.5041 3.5041 3.7442 3.7442 3.7824 3.7824 3.9901 3.9901 4.1085 4.1085 5.1850 5.1850 6.2263 6.2263 7.6503 7.6503 7.9850 7.9850 8.7648 8.7648 9.2208 9.2208 9.9751 9.9751 k = 0.0000 0.7944 0.2688 ( 3846 PWs) bands (ev): -33.4667 -33.4667 -33.4641 -33.4641 -14.7406 -14.7406 -14.7294 -14.7294 -14.3806 -14.3806 -14.3642 -14.3642 -14.3487 -14.3487 -14.3270 -14.3270 2.6991 2.6991 2.8037 2.8037 2.8364 2.8364 2.9366 2.9366 3.2326 3.2326 3.5105 3.5105 3.7398 3.7398 3.7737 3.7737 3.9918 3.9918 4.1138 4.1138 5.2062 5.2062 6.2721 6.2721 7.6138 7.6138 8.0144 8.0144 8.7489 8.7489 9.1798 9.1798 9.9386 9.9386 k = 0.0000 0.7944 0.2880 ( 3848 PWs) bands (ev): -33.4667 -33.4667 -33.4642 -33.4642 -14.7405 -14.7405 -14.7297 -14.7297 -14.3807 -14.3807 -14.3642 -14.3642 -14.3487 -14.3487 -14.3274 -14.3274 2.6986 2.6986 2.8036 2.8036 2.8360 2.8360 2.9400 2.9400 3.2379 3.2379 3.5160 3.5160 3.7358 3.7358 3.7661 3.7661 3.9935 3.9935 4.1179 4.1179 5.2297 5.2297 6.3189 6.3189 7.5750 7.5750 8.0452 8.0452 8.7352 8.7352 9.1370 9.1370 9.9013 9.9013 k = 0.0000 0.7944 0.3072 ( 3846 PWs) bands (ev): -33.4666 -33.4666 -33.4642 -33.4642 -14.7403 -14.7403 -14.7299 -14.7299 -14.3807 -14.3807 -14.3643 -14.3643 -14.3485 -14.3485 -14.3278 -14.3278 2.6986 2.6986 2.8029 2.8029 2.8359 2.8359 2.9421 2.9421 3.2446 3.2446 3.5205 3.5205 3.7323 3.7323 3.7599 3.7599 3.9952 3.9952 4.1210 4.1210 5.2553 5.2553 6.3662 6.3662 7.5347 7.5347 8.0774 8.0774 8.7239 8.7239 9.0925 9.0925 9.8634 9.8634 k = 0.0000 0.7944 0.3265 ( 3850 PWs) bands (ev): -33.4666 -33.4666 -33.4642 -33.4642 -14.7402 -14.7402 -14.7303 -14.7303 -14.3808 -14.3808 -14.3645 -14.3645 -14.3484 -14.3484 -14.3282 -14.3282 2.6992 2.6992 2.8018 2.8018 2.8362 2.8362 2.9430 2.9430 3.2526 3.2526 3.5238 3.5238 3.7293 3.7293 3.7551 3.7551 3.9970 3.9970 4.1229 4.1229 5.2832 5.2832 6.4129 6.4129 7.4938 7.4938 8.1108 8.1108 8.7150 8.7150 9.0464 9.0464 9.8252 9.8252 k = 0.0000 0.7944 0.3457 ( 3848 PWs) bands (ev): -33.4665 -33.4665 -33.4643 -33.4643 -14.7400 -14.7400 -14.7306 -14.7306 -14.3807 -14.3807 -14.3648 -14.3648 -14.3481 -14.3481 -14.3287 -14.3287 2.7003 2.7003 2.8005 2.8005 2.8365 2.8365 2.9426 2.9426 3.2618 3.2618 3.5260 3.5260 3.7268 3.7268 3.7516 3.7516 3.9989 3.9989 4.1238 4.1238 5.3133 5.3133 6.4580 6.4580 7.4536 7.4536 8.1449 8.1449 8.7086 8.7086 8.9992 8.9992 9.7869 9.7869 k = 0.0000 0.7944 0.3649 ( 3848 PWs) bands (ev): -33.4664 -33.4664 -33.4643 -33.4643 -14.7399 -14.7399 -14.7309 -14.7309 -14.3807 -14.3807 -14.3651 -14.3651 -14.3478 -14.3478 -14.3292 -14.3292 2.7020 2.7020 2.7992 2.7992 2.8368 2.8368 2.9410 2.9410 3.2720 3.2720 3.5270 3.5270 3.7248 3.7248 3.7493 3.7493 4.0009 4.0009 4.1236 4.1236 5.3459 5.3459 6.4999 6.4999 7.4156 7.4156 8.1794 8.1794 8.7046 8.7046 8.9510 8.9510 9.7489 9.7489 k = 0.0000 0.7944 0.3841 ( 3846 PWs) bands (ev): -33.4663 -33.4663 -33.4644 -33.4644 -14.7397 -14.7397 -14.7312 -14.7312 -14.3806 -14.3806 -14.3656 -14.3656 -14.3474 -14.3474 -14.3296 -14.3296 2.7041 2.7041 2.7978 2.7978 2.8371 2.8371 2.9383 2.9383 3.2832 3.2832 3.5268 3.5268 3.7232 3.7232 3.7482 3.7482 4.0029 4.0029 4.1226 4.1226 5.3807 5.3807 6.5367 6.5367 7.3821 7.3821 8.2136 8.2136 8.7028 8.7028 8.9025 8.9025 9.7113 9.7113 k = 0.0000 0.7944 0.4033 ( 3842 PWs) bands (ev): -33.4663 -33.4663 -33.4644 -33.4644 -14.7395 -14.7395 -14.7315 -14.7315 -14.3804 -14.3804 -14.3661 -14.3661 -14.3469 -14.3469 -14.3302 -14.3302 2.7066 2.7066 2.7965 2.7965 2.8371 2.8371 2.9346 2.9346 3.2952 3.2952 3.5257 3.5257 3.7223 3.7223 3.7479 3.7479 4.0051 4.0051 4.1206 4.1206 5.4179 5.4179 6.5660 6.5660 7.3556 7.3556 8.2467 8.2467 8.7029 8.7029 8.8548 8.8548 9.6743 9.6743 k = 0.0000 0.7944 0.4225 ( 3842 PWs) bands (ev): -33.4662 -33.4662 -33.4644 -33.4644 -14.7393 -14.7393 -14.7319 -14.7319 -14.3803 -14.3803 -14.3666 -14.3666 -14.3464 -14.3464 -14.3307 -14.3307 2.7096 2.7096 2.7954 2.7954 2.8370 2.8370 2.9302 2.9302 3.3077 3.3077 3.5236 3.5236 3.7218 3.7218 3.7483 3.7483 4.0074 4.0074 4.1177 4.1177 5.4575 5.4575 6.5850 6.5850 7.3390 7.3390 8.2773 8.2773 8.7039 8.7039 8.8096 8.8096 9.6383 9.6383 k = 0.0000 0.7944 0.4417 ( 3842 PWs) bands (ev): -33.4661 -33.4661 -33.4645 -33.4645 -14.7391 -14.7391 -14.7322 -14.7322 -14.3800 -14.3800 -14.3672 -14.3672 -14.3459 -14.3459 -14.3313 -14.3313 2.7131 2.7131 2.7944 2.7944 2.8367 2.8367 2.9250 2.9250 3.3206 3.3206 3.5208 3.5208 3.7220 3.7220 3.7491 3.7491 4.0098 4.0098 4.1142 4.1142 5.4993 5.4993 6.5915 6.5915 7.3348 7.3348 8.3034 8.3034 8.7037 8.7037 8.7709 8.7709 9.6033 9.6033 k = 0.0000 0.7944 0.4609 ( 3846 PWs) bands (ev): -33.4660 -33.4660 -33.4646 -33.4646 -14.7389 -14.7389 -14.7326 -14.7326 -14.3798 -14.3798 -14.3679 -14.3679 -14.3453 -14.3453 -14.3319 -14.3319 2.7168 2.7168 2.7934 2.7934 2.8364 2.8364 2.9193 2.9193 3.3338 3.3338 3.5172 3.5172 3.7226 3.7226 3.7501 3.7501 4.0124 4.0124 4.1099 4.1099 5.5434 5.5434 6.5842 6.5842 7.3444 7.3444 8.3218 8.3218 8.6957 8.6957 8.7479 8.7479 9.5697 9.5697 k = 0.0000 0.7944 0.4801 ( 3838 PWs) bands (ev): -33.4659 -33.4659 -33.4646 -33.4646 -14.7386 -14.7386 -14.7329 -14.7329 -14.3794 -14.3794 -14.3685 -14.3685 -14.3447 -14.3447 -14.3324 -14.3324 2.7210 2.7210 2.7924 2.7924 2.8361 2.8361 2.9131 2.9131 3.3471 3.3471 3.5131 3.5131 3.7238 3.7238 3.7511 3.7511 4.0153 4.0153 4.1052 4.1052 5.5897 5.5897 6.5634 6.5634 7.3675 7.3675 8.3282 8.3282 8.6800 8.6800 8.7443 8.7443 9.5378 9.5378 k = 0.0000 0.7944 0.4993 ( 3836 PWs) bands (ev): -33.4659 -33.4659 -33.4647 -33.4647 -14.7384 -14.7384 -14.7333 -14.7333 -14.3791 -14.3791 -14.3692 -14.3692 -14.3440 -14.3440 -14.3330 -14.3330 2.7254 2.7254 2.7912 2.7912 2.8360 2.8360 2.9067 2.9067 3.3603 3.3603 3.5084 3.5084 3.7254 3.7254 3.7520 3.7520 4.0184 4.0184 4.1000 4.1000 5.6382 5.6382 6.5311 6.5311 7.4026 7.4026 8.3186 8.3186 8.6703 8.6703 8.7497 8.7497 9.5081 9.5081 k = 0.0000 0.7944 0.5185 ( 3834 PWs) bands (ev): -33.4658 -33.4658 -33.4647 -33.4647 -14.7381 -14.7381 -14.7336 -14.7336 -14.3787 -14.3787 -14.3699 -14.3699 -14.3433 -14.3433 -14.3337 -14.3337 2.7301 2.7301 2.7897 2.7897 2.8362 2.8362 2.9001 2.9001 3.3733 3.3733 3.5032 3.5032 3.7273 3.7273 3.7526 3.7526 4.0217 4.0217 4.0944 4.0944 5.6887 5.6887 6.4894 6.4894 7.4474 7.4474 8.2921 8.2921 8.6727 8.6727 8.7580 8.7580 9.4809 9.4809 k = 0.0000 0.7944 0.5377 ( 3836 PWs) bands (ev): -33.4657 -33.4657 -33.4648 -33.4648 -14.7379 -14.7379 -14.7340 -14.7340 -14.3782 -14.3782 -14.3707 -14.3707 -14.3427 -14.3427 -14.3343 -14.3343 2.7349 2.7349 2.7877 2.7877 2.8370 2.8370 2.8933 2.8933 3.3860 3.3860 3.4974 3.4974 3.7296 3.7296 3.7529 3.7529 4.0253 4.0253 4.0886 4.0886 5.7412 5.7412 6.4408 6.4408 7.4996 7.4996 8.2515 8.2515 8.6854 8.6854 8.7673 8.7673 9.4568 9.4568 k = 0.0000 0.7944 0.5569 ( 3840 PWs) bands (ev): -33.4656 -33.4656 -33.4649 -33.4649 -14.7376 -14.7376 -14.7344 -14.7344 -14.3778 -14.3778 -14.3714 -14.3714 -14.3420 -14.3420 -14.3350 -14.3350 2.7400 2.7400 2.7853 2.7853 2.8385 2.8385 2.8866 2.8866 3.3983 3.3983 3.4912 3.4912 3.7321 3.7321 3.7527 3.7527 4.0292 4.0292 4.0827 4.0827 5.7955 5.7955 6.3872 6.3872 7.5572 7.5572 8.2009 8.2009 8.7042 8.7042 8.7765 8.7765 9.4366 9.4366 k = 0.0000 0.7944 0.5761 ( 3838 PWs) bands (ev): -33.4655 -33.4655 -33.4649 -33.4649 -14.7373 -14.7373 -14.7347 -14.7347 -14.3773 -14.3773 -14.3721 -14.3721 -14.3413 -14.3413 -14.3357 -14.3357 2.7451 2.7451 2.7823 2.7823 2.8407 2.8407 2.8800 2.8800 3.4102 3.4102 3.4845 3.4845 3.7348 3.7348 3.7521 3.7521 4.0334 4.0334 4.0766 4.0766 5.8515 5.8515 6.3303 6.3303 7.6189 7.6189 8.1437 8.1437 8.7254 8.7254 8.7847 8.7847 9.4209 9.4209 k = 0.0000 0.7944 0.5953 ( 3838 PWs) bands (ev): -33.4655 -33.4655 -33.4650 -33.4650 -14.7370 -14.7370 -14.7351 -14.7351 -14.3767 -14.3767 -14.3728 -14.3728 -14.3406 -14.3406 -14.3363 -14.3363 2.7503 2.7503 2.7787 2.7787 2.8436 2.8436 2.8736 2.8736 3.4216 3.4216 3.4772 3.4772 3.7376 3.7376 3.7511 3.7511 4.0379 4.0379 4.0706 4.0706 5.9091 5.9091 6.2711 6.2711 7.6833 7.6833 8.0821 8.0821 8.7462 8.7462 8.7909 8.7909 9.4108 9.4108 k = 0.0000 0.7944 0.6145 ( 3840 PWs) bands (ev): -33.4654 -33.4654 -33.4651 -33.4651 -14.7367 -14.7367 -14.7354 -14.7354 -14.3761 -14.3761 -14.3735 -14.3735 -14.3399 -14.3399 -14.3370 -14.3370 2.7555 2.7555 2.7747 2.7747 2.8472 2.8472 2.8675 2.8675 3.4323 3.4323 3.4694 3.4694 3.7404 3.7404 3.7496 3.7496 4.0427 4.0427 4.0646 4.0646 5.9679 5.9679 6.2106 6.2106 7.7495 7.7495 8.0177 8.0177 8.7645 8.7645 8.7942 8.7942 9.4070 9.4070 k = 0.0000 0.7944 0.6337 ( 3840 PWs) bands (ev): -33.4653 -33.4653 -33.4652 -33.4652 -14.7364 -14.7364 -14.7357 -14.7357 -14.3755 -14.3755 -14.3742 -14.3742 -14.3392 -14.3392 -14.3377 -14.3377 2.7606 2.7606 2.7703 2.7703 2.8515 2.8515 2.8617 2.8617 3.4425 3.4425 3.4610 3.4610 3.7430 3.7430 3.7477 3.7477 4.0478 4.0478 4.0588 4.0588 6.0278 6.0278 6.1496 6.1496 7.8167 7.8167 7.9514 7.9514 8.7790 8.7790 8.7937 8.7937 9.4102 9.4102 k = 0.0000 0.7944 0.6529 ( 3844 PWs) bands (ev): -33.4652 -33.4652 -33.4652 -33.4652 -14.7361 -14.7361 -14.7361 -14.7361 -14.3749 -14.3749 -14.3749 -14.3749 -14.3385 -14.3385 -14.3385 -14.3385 2.7656 2.7656 2.7656 2.7656 2.8563 2.8563 2.8563 2.8563 3.4521 3.4521 3.4521 3.4521 3.7455 3.7455 3.7455 3.7455 4.0532 4.0532 4.0532 4.0532 6.0885 6.0885 6.0885 6.0885 7.8842 7.8842 7.8842 7.8842 8.7888 8.7888 8.7888 8.7888 9.4207 9.4207 k = 0.0000 0.7944 0.6529 ( 3844 PWs) bands (ev): -33.4652 -33.4652 -33.4652 -33.4652 -14.7361 -14.7361 -14.7361 -14.7361 -14.3749 -14.3749 -14.3749 -14.3749 -14.3385 -14.3385 -14.3385 -14.3385 2.7656 2.7656 2.7656 2.7656 2.8563 2.8563 2.8563 2.8563 3.4521 3.4521 3.4521 3.4521 3.7455 3.7455 3.7455 3.7455 4.0532 4.0532 4.0532 4.0532 6.0885 6.0885 6.0885 6.0885 7.8842 7.8842 7.8842 7.8842 8.7888 8.7888 8.7888 8.7888 9.4207 9.4207 k = 0.0188 0.7944 0.6529 ( 3836 PWs) bands (ev): -33.4652 -33.4652 -33.4652 -33.4652 -14.7361 -14.7361 -14.7360 -14.7360 -14.3757 -14.3757 -14.3740 -14.3740 -14.3393 -14.3393 -14.3376 -14.3376 2.7640 2.7640 2.7672 2.7672 2.8532 2.8532 2.8595 2.8595 3.4505 3.4505 3.4537 3.4537 3.7444 3.7444 3.7466 3.7466 4.0522 4.0522 4.0541 4.0541 6.0888 6.0888 6.0890 6.0890 7.8840 7.8840 7.8865 7.8865 8.7808 8.7808 8.7840 8.7840 9.4232 9.4243 k = 0.0375 0.7944 0.6529 ( 3834 PWs) bands (ev): -33.4652 -33.4652 -33.4652 -33.4652 -14.7361 -14.7361 -14.7360 -14.7360 -14.3766 -14.3766 -14.3731 -14.3731 -14.3401 -14.3401 -14.3368 -14.3368 2.7625 2.7625 2.7687 2.7687 2.8500 2.8500 2.8627 2.8627 3.4489 3.4489 3.4553 3.4553 3.7434 3.7434 3.7477 3.7477 4.0510 4.0510 4.0547 4.0547 6.0899 6.0899 6.0902 6.0902 7.8859 7.8859 7.8910 7.8910 8.7610 8.7610 8.7669 8.7669 9.4340 9.4340 k = 0.0563 0.7944 0.6529 ( 3832 PWs) bands (ev): -33.4652 -33.4652 -33.4652 -33.4652 -14.7362 -14.7362 -14.7359 -14.7359 -14.3774 -14.3774 -14.3722 -14.3722 -14.3409 -14.3409 -14.3360 -14.3360 2.7610 2.7610 2.7703 2.7703 2.8470 2.8470 2.8658 2.8658 3.4474 3.4474 3.4569 3.4569 3.7423 3.7423 3.7487 3.7487 4.0497 4.0497 4.0552 4.0552 6.0918 6.0918 6.0923 6.0923 7.8898 7.8898 7.8975 7.8975 8.7313 8.7313 8.7390 8.7390 9.4532 9.4532 k = 0.0750 0.7944 0.6529 ( 3838 PWs) bands (ev): -33.4652 -33.4652 -33.4652 -33.4652 -14.7362 -14.7362 -14.7359 -14.7359 -14.3781 -14.3781 -14.3713 -14.3713 -14.3418 -14.3418 -14.3353 -14.3353 2.7595 2.7595 2.7718 2.7718 2.8440 2.8440 2.8689 2.8689 3.4459 3.4459 3.4584 3.4584 3.7413 3.7413 3.7497 3.7497 4.0483 4.0483 4.0554 4.0554 6.0943 6.0943 6.0950 6.0950 7.8957 7.8957 7.9061 7.9061 8.6939 8.6939 8.7024 8.7024 9.4783 9.4783 k = 0.0938 0.7944 0.6529 ( 3838 PWs) bands (ev): -33.4652 -33.4652 -33.4652 -33.4652 -14.7362 -14.7362 -14.7359 -14.7359 -14.3788 -14.3788 -14.3705 -14.3705 -14.3426 -14.3426 -14.3345 -14.3345 2.7582 2.7582 2.7732 2.7732 2.8413 2.8413 2.8718 2.8718 3.4445 3.4445 3.4599 3.4599 3.7403 3.7403 3.7507 3.7507 4.0468 4.0468 4.0555 4.0555 6.0974 6.0974 6.0983 6.0983 7.9035 7.9035 7.9168 7.9168 8.6510 8.6510 8.6593 8.6593 9.5072 9.5072 k = 0.1125 0.7944 0.6529 ( 3842 PWs) bands (ev): -33.4652 -33.4652 -33.4652 -33.4652 -14.7363 -14.7363 -14.7359 -14.7359 -14.3795 -14.3795 -14.3696 -14.3696 -14.3433 -14.3433 -14.3338 -14.3338 2.7569 2.7569 2.7746 2.7746 2.8387 2.8387 2.8745 2.8745 3.4432 3.4432 3.4613 3.4613 3.7394 3.7394 3.7516 3.7516 4.0451 4.0451 4.0554 4.0554 6.1011 6.1011 6.1022 6.1022 7.9131 7.9131 7.9296 7.9296 8.6043 8.6043 8.6116 8.6116 9.5382 9.5382 k = 0.1313 0.7944 0.6529 ( 3846 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7363 -14.7363 -14.7358 -14.7358 -14.3801 -14.3801 -14.3688 -14.3688 -14.3441 -14.3441 -14.3332 -14.3332 2.7558 2.7558 2.7759 2.7759 2.8363 2.8363 2.8771 2.8771 3.4419 3.4419 3.4626 3.4626 3.7386 3.7386 3.7524 3.7524 4.0434 4.0434 4.0550 4.0550 6.1050 6.1050 6.1064 6.1064 7.9244 7.9244 7.9443 7.9443 8.5553 8.5553 8.5608 8.5608 9.5699 9.5699 k = 0.1501 0.7944 0.6529 ( 3848 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7363 -14.7363 -14.7358 -14.7358 -14.3807 -14.3807 -14.3680 -14.3680 -14.3448 -14.3448 -14.3326 -14.3326 2.7548 2.7548 2.7770 2.7770 2.8341 2.8341 2.8795 2.8795 3.4407 3.4407 3.4638 3.4638 3.7378 3.7378 3.7531 3.7531 4.0416 4.0416 4.0544 4.0544 6.1091 6.1091 6.1108 6.1108 7.9371 7.9371 7.9610 7.9610 8.5054 8.5054 8.5083 8.5083 9.6014 9.6014 k = 0.1688 0.7944 0.6529 ( 3850 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7363 -14.7363 -14.7358 -14.7358 -14.3812 -14.3812 -14.3672 -14.3672 -14.3454 -14.3454 -14.3320 -14.3320 2.7540 2.7540 2.7781 2.7781 2.8323 2.8323 2.8816 2.8816 3.4397 3.4397 3.4649 3.4649 3.7371 3.7371 3.7538 3.7538 4.0398 4.0398 4.0536 4.0536 6.1132 6.1132 6.1152 6.1152 7.9510 7.9510 7.9794 7.9794 8.4552 8.4552 8.4558 8.4558 9.6318 9.6318 k = 0.1876 0.7944 0.6529 ( 3848 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7363 -14.7363 -14.7357 -14.7357 -14.3817 -14.3817 -14.3665 -14.3665 -14.3460 -14.3460 -14.3315 -14.3315 2.7534 2.7534 2.7790 2.7790 2.8307 2.8307 2.8835 2.8835 3.4388 3.4388 3.4659 3.4659 3.7365 3.7365 3.7544 3.7544 4.0379 4.0379 4.0526 4.0526 6.1171 6.1171 6.1194 6.1194 7.9656 7.9656 7.9995 7.9995 8.4024 8.4024 8.4076 8.4076 9.6606 9.6606 k = 0.2063 0.7944 0.6529 ( 3846 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7363 -14.7363 -14.7357 -14.7357 -14.3821 -14.3821 -14.3659 -14.3659 -14.3465 -14.3465 -14.3310 -14.3310 2.7529 2.7529 2.7798 2.7798 2.8294 2.8294 2.8852 2.8852 3.4379 3.4379 3.4668 3.4668 3.7361 3.7361 3.7549 3.7549 4.0361 4.0361 4.0514 4.0514 6.1204 6.1204 6.1231 6.1231 7.9804 7.9804 8.0211 8.0211 8.3509 8.3509 8.3622 8.3622 9.6873 9.6873 k = 0.2251 0.7944 0.6529 ( 3848 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7363 -14.7363 -14.7356 -14.7356 -14.3824 -14.3824 -14.3654 -14.3654 -14.3469 -14.3469 -14.3306 -14.3306 2.7525 2.7525 2.7805 2.7805 2.8285 2.8285 2.8865 2.8865 3.4373 3.4373 3.4675 3.4675 3.7357 3.7357 3.7553 3.7553 4.0342 4.0342 4.0500 4.0500 6.1230 6.1230 6.1261 6.1261 7.9943 7.9943 8.0436 8.0436 8.3019 8.3019 8.3212 8.3212 9.7116 9.7116 k = 0.2438 0.7944 0.6529 ( 3844 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7363 -14.7363 -14.7356 -14.7356 -14.3826 -14.3826 -14.3650 -14.3650 -14.3471 -14.3471 -14.3302 -14.3302 2.7524 2.7524 2.7810 2.7810 2.8278 2.8278 2.8877 2.8877 3.4367 3.4367 3.4681 3.4681 3.7354 3.7354 3.7556 3.7556 4.0323 4.0323 4.0484 4.0484 6.1244 6.1244 6.1279 6.1279 8.0059 8.0059 8.0661 8.0661 8.2569 8.2569 8.2866 8.2866 9.7332 9.7332 k = 0.2626 0.7944 0.6529 ( 3850 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7363 -14.7363 -14.7355 -14.7355 -14.3828 -14.3828 -14.3647 -14.3647 -14.3473 -14.3473 -14.3299 -14.3299 2.7525 2.7525 2.7814 2.7814 2.8275 2.8275 2.8885 2.8885 3.4363 3.4363 3.4685 3.4685 3.7352 3.7352 3.7558 3.7558 4.0304 4.0304 4.0466 4.0466 6.1244 6.1244 6.1284 6.1284 8.0131 8.0131 8.0859 8.0859 8.2191 8.2191 8.2611 8.2611 9.7518 9.7518 k = 0.2814 0.7944 0.6529 ( 3850 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7362 -14.7362 -14.7355 -14.7355 -14.3829 -14.3829 -14.3645 -14.3645 -14.3474 -14.3474 -14.3297 -14.3297 2.7527 2.7527 2.7816 2.7816 2.8276 2.8276 2.8891 2.8891 3.4359 3.4359 3.4688 3.4688 3.7352 3.7352 3.7559 3.7559 4.0285 4.0285 4.0446 4.0446 6.1227 6.1227 6.1272 6.1272 8.0139 8.0139 8.0956 8.0956 8.1965 8.1965 8.2471 8.2471 9.7677 9.7706 k = 0.2814 0.7944 0.6529 ( 3850 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7362 -14.7362 -14.7355 -14.7355 -14.3829 -14.3829 -14.3645 -14.3645 -14.3474 -14.3474 -14.3297 -14.3297 2.7527 2.7527 2.7816 2.7816 2.8276 2.8276 2.8891 2.8891 3.4359 3.4359 3.4688 3.4688 3.7352 3.7352 3.7559 3.7559 4.0285 4.0285 4.0446 4.0446 6.1227 6.1227 6.1272 6.1272 8.0139 8.0139 8.0956 8.0956 8.1965 8.1965 8.2471 8.2471 9.7675 9.7675 k = 0.2750 0.7763 0.6529 ( 3850 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7364 -14.7364 -14.7356 -14.7356 -14.3827 -14.3827 -14.3649 -14.3649 -14.3474 -14.3474 -14.3304 -14.3304 2.7518 2.7518 2.7812 2.7812 2.8271 2.8271 2.8879 2.8879 3.4366 3.4366 3.4682 3.4682 3.7353 3.7353 3.7556 3.7556 4.0337 4.0337 4.0505 4.0505 6.1278 6.1278 6.1307 6.1307 8.0141 8.0141 8.0791 8.0791 8.2484 8.2484 8.2831 8.2831 9.7254 9.7254 k = 0.2686 0.7583 0.6529 ( 3850 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7364 -14.7364 -14.7358 -14.7358 -14.3823 -14.3823 -14.3653 -14.3653 -14.3473 -14.3473 -14.3310 -14.3310 2.7510 2.7510 2.7809 2.7809 2.8269 2.8269 2.8869 2.8869 3.4371 3.4371 3.4675 3.4675 3.7357 3.7357 3.7553 3.7553 4.0378 4.0378 4.0552 4.0552 6.1263 6.1263 6.1275 6.1275 8.0069 8.0069 8.0576 8.0576 8.3134 8.3134 8.3346 8.3346 9.6854 9.6854 k = 0.2622 0.7402 0.6529 ( 3854 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7364 -14.7364 -14.7358 -14.7358 -14.3819 -14.3819 -14.3657 -14.3657 -14.3472 -14.3472 -14.3317 -14.3317 2.7504 2.7504 2.7806 2.7806 2.8273 2.8273 2.8863 2.8863 3.4373 3.4373 3.4668 3.4668 3.7363 3.7363 3.7551 3.7551 4.0408 4.0408 4.0589 4.0589 6.1172 6.1172 6.1177 6.1177 8.0020 8.0020 8.0433 8.0433 8.3795 8.3795 8.3923 8.3923 9.6478 9.6478 k = 0.2558 0.7222 0.6529 ( 3850 PWs) bands (ev): -33.4652 -33.4652 -33.4652 -33.4652 -14.7364 -14.7364 -14.7359 -14.7359 -14.3813 -14.3813 -14.3660 -14.3660 -14.3471 -14.3471 -14.3323 -14.3323 2.7500 2.7500 2.7803 2.7803 2.8281 2.8281 2.8860 2.8860 3.4373 3.4373 3.4660 3.4660 3.7371 3.7371 3.7549 3.7549 4.0427 4.0427 4.0615 4.0615 6.0997 6.0997 6.1019 6.1019 8.0036 8.0036 8.0385 8.0385 8.4440 8.4440 8.4514 8.4514 9.6128 9.6128 k = 0.2494 0.7041 0.6529 ( 3858 PWs) bands (ev): -33.4652 -33.4652 -33.4652 -33.4652 -14.7363 -14.7363 -14.7359 -14.7359 -14.3808 -14.3808 -14.3663 -14.3663 -14.3469 -14.3469 -14.3329 -14.3329 2.7498 2.7498 2.7801 2.7801 2.8293 2.8293 2.8859 2.8859 3.4371 3.4371 3.4651 3.4651 3.7383 3.7383 3.7548 3.7548 4.0434 4.0434 4.0629 4.0629 6.0751 6.0751 6.0791 6.0791 8.0134 8.0134 8.0436 8.0436 8.5058 8.5058 8.5096 8.5096 9.5804 9.5804 k = 0.2430 0.6861 0.6529 ( 3862 PWs) bands (ev): -33.4653 -33.4653 -33.4652 -33.4652 -14.7362 -14.7362 -14.7358 -14.7358 -14.3801 -14.3801 -14.3665 -14.3665 -14.3467 -14.3467 -14.3335 -14.3335 2.7497 2.7497 2.7799 2.7799 2.8310 2.8310 2.8861 2.8861 3.4367 3.4367 3.4642 3.4642 3.7397 3.7397 3.7548 3.7548 4.0430 4.0430 4.0631 4.0631 6.0440 6.0440 6.0497 6.0497 8.0318 8.0318 8.0585 8.0585 8.5640 8.5640 8.5655 8.5655 9.5508 9.5508 k = 0.2366 0.6680 0.6529 ( 3858 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7361 -14.7361 -14.7357 -14.7357 -14.3794 -14.3794 -14.3666 -14.3666 -14.3465 -14.3465 -14.3341 -14.3341 2.7499 2.7499 2.7797 2.7797 2.8332 2.8332 2.8866 2.8866 3.4362 3.4362 3.4631 3.4631 3.7413 3.7413 3.7550 3.7550 4.0414 4.0414 4.0622 4.0622 6.0069 6.0069 6.0142 6.0142 8.0587 8.0587 8.0828 8.0828 8.6180 8.6180 8.6182 8.6182 9.5243 9.5243 k = 0.2302 0.6499 0.6529 ( 3858 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7359 -14.7359 -14.7356 -14.7356 -14.3785 -14.3785 -14.3667 -14.3667 -14.3463 -14.3463 -14.3347 -14.3347 2.7502 2.7502 2.7796 2.7796 2.8358 2.8358 2.8873 2.8873 3.4355 3.4355 3.4619 3.4619 3.7432 3.7432 3.7553 3.7553 4.0386 4.0386 4.0601 4.0601 5.9647 5.9647 5.9735 5.9735 8.0934 8.0934 8.1156 8.1156 8.6668 8.6668 8.6670 8.6670 9.5010 9.5010 k = 0.2238 0.6319 0.6529 ( 3858 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7356 -14.7356 -14.7354 -14.7354 -14.3776 -14.3776 -14.3668 -14.3668 -14.3460 -14.3460 -14.3353 -14.3353 2.7507 2.7507 2.7795 2.7795 2.8388 2.8388 2.8883 2.8883 3.4346 3.4346 3.4606 3.4606 3.7453 3.7453 3.7557 3.7557 4.0346 4.0346 4.0568 4.0568 5.9181 5.9181 5.9284 5.9284 8.1352 8.1352 8.1562 8.1562 8.7107 8.7107 8.7110 8.7110 9.4810 9.4810 k = 0.2174 0.6138 0.6529 ( 3850 PWs) bands (ev): -33.4654 -33.4654 -33.4654 -33.4654 -14.7353 -14.7353 -14.7351 -14.7351 -14.3766 -14.3766 -14.3667 -14.3667 -14.3457 -14.3457 -14.3359 -14.3359 2.7514 2.7514 2.7794 2.7794 2.8424 2.8424 2.8896 2.8896 3.4336 3.4336 3.4592 3.4592 3.7476 3.7476 3.7562 3.7562 4.0296 4.0296 4.0524 4.0524 5.8681 5.8681 5.8798 5.8798 8.1831 8.1831 8.2035 8.2035 8.7486 8.7486 8.7502 8.7502 9.4644 9.4644 k = 0.2110 0.5958 0.6529 ( 3850 PWs) bands (ev): -33.4654 -33.4654 -33.4654 -33.4654 -14.7350 -14.7350 -14.7349 -14.7349 -14.3756 -14.3756 -14.3666 -14.3666 -14.3454 -14.3454 -14.3365 -14.3365 2.7522 2.7522 2.7793 2.7793 2.8463 2.8463 2.8910 2.8910 3.4325 3.4325 3.4576 3.4576 3.7501 3.7501 3.7568 3.7568 4.0234 4.0234 4.0468 4.0468 5.8154 5.8154 5.8284 5.8284 8.2363 8.2363 8.2567 8.2567 8.7804 8.7804 8.7843 8.7843 9.4512 9.4512 k = 0.2046 0.5777 0.6529 ( 3854 PWs) bands (ev): -33.4655 -33.4655 -33.4655 -33.4655 -14.7346 -14.7346 -14.7346 -14.7346 -14.3745 -14.3745 -14.3665 -14.3665 -14.3451 -14.3451 -14.3371 -14.3371 2.7532 2.7532 2.7792 2.7792 2.8505 2.8505 2.8927 2.8927 3.4312 3.4312 3.4559 3.4559 3.7527 3.7527 3.7575 3.7575 4.0162 4.0162 4.0401 4.0401 5.7609 5.7609 5.7751 5.7751 8.2937 8.2937 8.3149 8.3149 8.8061 8.8061 8.8132 8.8132 9.4412 9.4412 k = 0.1982 0.5597 0.6529 ( 3862 PWs) bands (ev): -33.4655 -33.4655 -33.4655 -33.4655 -14.7342 -14.7342 -14.7342 -14.7342 -14.3734 -14.3734 -14.3664 -14.3664 -14.3447 -14.3447 -14.3376 -14.3376 2.7542 2.7542 2.7790 2.7790 2.8552 2.8552 2.8946 2.8946 3.4297 3.4297 3.4539 3.4539 3.7555 3.7555 3.7584 3.7584 4.0080 4.0080 4.0324 4.0324 5.7052 5.7052 5.7206 5.7206 8.3543 8.3543 8.3771 8.3771 8.8259 8.8259 8.8372 8.8372 9.4340 9.4341 k = 0.1918 0.5416 0.6529 ( 3862 PWs) bands (ev): -33.4656 -33.4656 -33.4656 -33.4656 -14.7339 -14.7339 -14.7338 -14.7338 -14.3722 -14.3722 -14.3661 -14.3661 -14.3443 -14.3443 -14.3382 -14.3382 2.7553 2.7553 2.7789 2.7789 2.8602 2.8602 2.8968 2.8968 3.4282 3.4282 3.4518 3.4518 3.7584 3.7584 3.7593 3.7593 3.9988 3.9988 4.0237 4.0237 5.6489 5.6489 5.6653 5.6653 8.4169 8.4169 8.4426 8.4426 8.8404 8.8404 8.8571 8.8571 9.4269 9.4269 k = 0.1854 0.5236 0.6529 ( 3854 PWs) bands (ev): -33.4657 -33.4657 -33.4657 -33.4657 -14.7334 -14.7334 -14.7333 -14.7333 -14.3709 -14.3709 -14.3658 -14.3658 -14.3439 -14.3439 -14.3387 -14.3387 2.7565 2.7565 2.7788 2.7788 2.8656 2.8656 2.8992 2.8992 3.4266 3.4266 3.4495 3.4495 3.7603 3.7603 3.7614 3.7614 3.9888 3.9888 4.0140 4.0140 5.5926 5.5926 5.6100 5.6100 8.4802 8.4802 8.5103 8.5103 8.8504 8.8504 8.8738 8.8738 9.4209 9.4216 k = 0.1790 0.5055 0.6529 ( 3850 PWs) bands (ev): -33.4658 -33.4658 -33.4658 -33.4658 -14.7330 -14.7330 -14.7328 -14.7328 -14.3696 -14.3696 -14.3655 -14.3655 -14.3435 -14.3435 -14.3392 -14.3392 2.7578 2.7578 2.7787 2.7787 2.8713 2.8713 2.9017 2.9017 3.4250 3.4250 3.4471 3.4471 3.7613 3.7613 3.7644 3.7644 3.9780 3.9780 4.0034 4.0034 5.5366 5.5366 5.5550 5.5550 8.5426 8.5426 8.5790 8.5790 8.8569 8.8569 8.8889 8.8889 9.4166 9.4206 k = 0.1727 0.4875 0.6529 ( 3846 PWs) bands (ev): -33.4658 -33.4658 -33.4658 -33.4658 -14.7325 -14.7325 -14.7323 -14.7323 -14.3682 -14.3682 -14.3652 -14.3652 -14.3430 -14.3430 -14.3397 -14.3397 2.7590 2.7590 2.7785 2.7785 2.8773 2.8773 2.9045 2.9045 3.4232 3.4232 3.4444 3.4444 3.7622 3.7622 3.7673 3.7673 3.9666 3.9666 3.9920 3.9920 5.4814 5.4814 5.5007 5.5007 8.6014 8.6014 8.6472 8.6472 8.8618 8.8618 8.9050 8.9050 9.4131 9.4134 k = 0.1663 0.4694 0.6529 ( 3826 PWs) bands (ev): -33.4659 -33.4659 -33.4659 -33.4659 -14.7320 -14.7320 -14.7317 -14.7317 -14.3668 -14.3668 -14.3648 -14.3648 -14.3424 -14.3424 -14.3401 -14.3401 2.7603 2.7603 2.7783 2.7783 2.8835 2.8835 2.9075 2.9075 3.4215 3.4215 3.4417 3.4417 3.7630 3.7630 3.7703 3.7703 3.9547 3.9547 3.9800 3.9800 5.4274 5.4274 5.4475 5.4475 8.6535 8.6535 8.7114 8.7114 8.8684 8.8684 8.9251 8.9251 9.4111 9.4132 k = 0.1599 0.4514 0.6529 ( 3830 PWs) bands (ev): -33.4660 -33.4660 -33.4660 -33.4660 -14.7315 -14.7315 -14.7312 -14.7312 -14.3654 -14.3654 -14.3644 -14.3644 -14.3419 -14.3419 -14.3406 -14.3406 2.7615 2.7615 2.7781 2.7781 2.8899 2.8899 2.9106 2.9106 3.4197 3.4197 3.4386 3.4386 3.7636 3.7636 3.7729 3.7729 3.9424 3.9424 3.9674 3.9674 5.3747 5.3747 5.3956 5.3956 8.6950 8.6950 8.7630 8.7630 8.8852 8.8852 8.9530 8.9530 9.4101 9.4104 k = 0.1535 0.4333 0.6529 ( 3828 PWs) bands (ev): -33.4661 -33.4661 -33.4661 -33.4661 -14.7310 -14.7310 -14.7306 -14.7306 -14.3640 -14.3640 -14.3640 -14.3640 -14.3413 -14.3413 -14.3410 -14.3410 2.7626 2.7626 2.7778 2.7778 2.8964 2.8964 2.9138 2.9138 3.4179 3.4179 3.4354 3.4354 3.7638 3.7638 3.7752 3.7752 3.9301 3.9301 3.9545 3.9545 5.3236 5.3236 5.3452 5.3452 8.7234 8.7234 8.7902 8.7902 8.9236 8.9236 8.9907 8.9907 9.4103 9.4107 k = 0.1471 0.4152 0.6529 ( 3822 PWs) bands (ev): -33.4662 -33.4662 -33.4662 -33.4662 -14.7304 -14.7304 -14.7300 -14.7300 -14.3636 -14.3636 -14.3626 -14.3626 -14.3413 -14.3413 -14.3407 -14.3407 2.7637 2.7637 2.7775 2.7775 2.9031 2.9031 2.9172 2.9172 3.4161 3.4161 3.4320 3.4320 3.7634 3.7634 3.7771 3.7771 3.9178 3.9178 3.9414 3.9414 5.2744 5.2744 5.2966 5.2966 8.7396 8.7396 8.7968 8.7968 8.9794 8.9794 9.0365 9.0365 9.4124 9.4124 k = 0.1407 0.3972 0.6529 ( 3830 PWs) bands (ev): -33.4663 -33.4663 -33.4663 -33.4663 -14.7299 -14.7299 -14.7295 -14.7295 -14.3632 -14.3632 -14.3613 -14.3613 -14.3416 -14.3416 -14.3401 -14.3401 2.7647 2.7647 2.7771 2.7771 2.9098 2.9098 2.9207 2.9207 3.4143 3.4143 3.4285 3.4285 3.7623 3.7623 3.7782 3.7782 3.9060 3.9060 3.9283 3.9283 5.2270 5.2270 5.2498 5.2498 8.7466 8.7466 8.7941 8.7941 9.0402 9.0402 9.0862 9.0862 9.4179 9.4179 k = 0.1343 0.3791 0.6529 ( 3830 PWs) bands (ev): -33.4665 -33.4665 -33.4665 -33.4665 -14.7294 -14.7294 -14.7290 -14.7290 -14.3629 -14.3629 -14.3600 -14.3600 -14.3419 -14.3419 -14.3395 -14.3395 2.7657 2.7657 2.7768 2.7768 2.9165 2.9165 2.9242 2.9242 3.4125 3.4125 3.4249 3.4249 3.7602 3.7602 3.7784 3.7784 3.8950 3.8950 3.9157 3.9157 5.1818 5.1818 5.2050 5.2050 8.7475 8.7475 8.7873 8.7873 9.0989 9.0989 9.1345 9.1345 9.4287 9.4288 k = 0.1279 0.3611 0.6529 ( 3832 PWs) bands (ev): -33.4666 -33.4666 -33.4666 -33.4666 -14.7289 -14.7289 -14.7284 -14.7284 -14.3625 -14.3625 -14.3587 -14.3587 -14.3420 -14.3420 -14.3388 -14.3388 2.7665 2.7665 2.7764 2.7764 2.9232 2.9232 2.9278 2.9278 3.4109 3.4109 3.4212 3.4212 3.7569 3.7569 3.7773 3.7773 3.8851 3.8851 3.9040 3.9040 5.1388 5.1388 5.1623 5.1623 8.7444 8.7444 8.7784 8.7784 9.1511 9.1511 9.1765 9.1765 9.4477 9.4478 k = 0.1215 0.3430 0.6529 ( 3828 PWs) bands (ev): -33.4667 -33.4667 -33.4667 -33.4667 -14.7283 -14.7283 -14.7279 -14.7279 -14.3621 -14.3621 -14.3575 -14.3575 -14.3421 -14.3421 -14.3380 -14.3380 2.7673 2.7673 2.7759 2.7759 2.9298 2.9298 2.9314 2.9314 3.4094 3.4094 3.4176 3.4176 3.7520 3.7520 3.7745 3.7745 3.8768 3.8768 3.8936 3.8936 5.0979 5.0979 5.1216 5.1216 8.7388 8.7388 8.7685 8.7685 9.1929 9.1929 9.2084 9.2084 9.4740 9.4740 k = 0.1151 0.3250 0.6529 ( 3832 PWs) bands (ev): -33.4668 -33.4668 -33.4668 -33.4668 -14.7278 -14.7278 -14.7273 -14.7273 -14.3617 -14.3617 -14.3565 -14.3565 -14.3420 -14.3420 -14.3373 -14.3373 2.7679 2.7679 2.7755 2.7755 2.9349 2.9349 2.9362 2.9362 3.4079 3.4079 3.4139 3.4139 3.7455 3.7455 3.7697 3.7697 3.8701 3.8701 3.8850 3.8850 5.0594 5.0594 5.0831 5.0831 8.7315 8.7315 8.7578 8.7578 9.2224 9.2224 9.2293 9.2293 9.5080 9.5080 k = 0.1087 0.3069 0.6529 ( 3832 PWs) bands (ev): -33.4669 -33.4669 -33.4669 -33.4669 -14.7273 -14.7273 -14.7268 -14.7268 -14.3614 -14.3614 -14.3556 -14.3556 -14.3418 -14.3418 -14.3366 -14.3366 2.7684 2.7684 2.7750 2.7750 2.9385 2.9385 2.9424 2.9424 3.4066 3.4066 3.4103 3.4103 3.7374 3.7374 3.7627 3.7627 3.8652 3.8652 3.8784 3.8784 5.0231 5.0231 5.0467 5.0467 8.7232 8.7232 8.7468 8.7468 9.2403 9.2403 9.2411 9.2411 9.5518 9.5518 k = 0.1023 0.2889 0.6529 ( 3840 PWs) bands (ev): -33.4670 -33.4670 -33.4670 -33.4670 -14.7268 -14.7268 -14.7263 -14.7263 -14.3610 -14.3610 -14.3549 -14.3549 -14.3415 -14.3415 -14.3359 -14.3359 2.7688 2.7688 2.7745 2.7745 2.9419 2.9419 2.9483 2.9483 3.4055 3.4055 3.4068 3.4068 3.7279 3.7279 3.7535 3.7535 3.8619 3.8619 3.8738 3.8738 4.9892 4.9892 5.0125 5.0125 8.7142 8.7142 8.7355 8.7355 9.2465 9.2465 9.2496 9.2496 9.6022 9.6022 k = 0.0959 0.2708 0.6529 ( 3832 PWs) bands (ev): -33.4671 -33.4671 -33.4671 -33.4671 -14.7263 -14.7263 -14.7258 -14.7258 -14.3607 -14.3607 -14.3543 -14.3543 -14.3410 -14.3410 -14.3351 -14.3351 2.7692 2.7692 2.7740 2.7740 2.9453 2.9453 2.9538 2.9538 3.4036 3.4036 3.4046 3.4046 3.7174 3.7174 3.7426 3.7426 3.8601 3.8601 3.8710 3.8710 4.9576 4.9576 4.9805 4.9805 8.7049 8.7049 8.7243 8.7243 9.2479 9.2479 9.2533 9.2533 9.6560 9.6560 k = 0.0895 0.2528 0.6529 ( 3836 PWs) bands (ev): -33.4672 -33.4672 -33.4672 -33.4672 -14.7259 -14.7259 -14.7254 -14.7254 -14.3604 -14.3604 -14.3540 -14.3540 -14.3403 -14.3403 -14.3344 -14.3344 2.7694 2.7694 2.7735 2.7735 2.9486 2.9486 2.9590 2.9590 3.4006 3.4006 3.4039 3.4039 3.7061 3.7061 3.7304 3.7304 3.8594 3.8594 3.8697 3.8697 4.9282 4.9282 4.9506 4.9506 8.6954 8.6954 8.7132 8.7132 9.2470 9.2470 9.2535 9.2535 9.7108 9.7108 k = 0.0831 0.2347 0.6529 ( 3838 PWs) bands (ev): -33.4673 -33.4673 -33.4673 -33.4673 -14.7254 -14.7254 -14.7250 -14.7250 -14.3600 -14.3600 -14.3538 -14.3538 -14.3395 -14.3395 -14.3337 -14.3337 2.7696 2.7696 2.7729 2.7729 2.9517 2.9517 2.9637 2.9637 3.3979 3.3979 3.4033 3.4033 3.6945 3.6945 3.7174 3.7174 3.8596 3.8596 3.8694 3.8694 4.9012 4.9012 4.9228 4.9228 8.6860 8.6860 8.7023 8.7023 9.2447 9.2447 9.2517 9.2517 9.7651 9.7651 k = 0.0767 0.2166 0.6529 ( 3838 PWs) bands (ev): -33.4674 -33.4674 -33.4674 -33.4674 -14.7250 -14.7250 -14.7246 -14.7246 -14.3597 -14.3597 -14.3537 -14.3537 -14.3387 -14.3387 -14.3331 -14.3331 2.7697 2.7697 2.7724 2.7724 2.9547 2.9547 2.9679 2.9679 3.3956 3.3956 3.4030 3.4030 3.6828 3.6828 3.7039 3.7039 3.8604 3.8604 3.8698 3.8698 4.8764 4.8764 4.8971 4.8971 8.6769 8.6769 8.6917 8.6917 9.2418 9.2418 9.2487 9.2487 9.8177 9.8178 k = 0.0703 0.1986 0.6529 ( 3834 PWs) bands (ev): -33.4675 -33.4675 -33.4675 -33.4675 -14.7246 -14.7246 -14.7242 -14.7242 -14.3594 -14.3594 -14.3537 -14.3537 -14.3377 -14.3377 -14.3324 -14.3324 2.7697 2.7697 2.7719 2.7719 2.9575 2.9575 2.9716 2.9716 3.3938 3.3938 3.4028 3.4028 3.6713 3.6713 3.6904 3.6904 3.8616 3.8616 3.8707 3.8707 4.8538 4.8538 4.8735 4.8735 8.6680 8.6680 8.6815 8.6815 9.2385 9.2385 9.2453 9.2453 9.8680 9.8680 k = 0.0639 0.1805 0.6529 ( 3826 PWs) bands (ev): -33.4676 -33.4676 -33.4676 -33.4676 -14.7242 -14.7242 -14.7238 -14.7238 -14.3591 -14.3591 -14.3538 -14.3538 -14.3368 -14.3368 -14.3318 -14.3318 2.7697 2.7697 2.7715 2.7715 2.9603 2.9603 2.9748 2.9748 3.3924 3.3924 3.4028 3.4028 3.6602 3.6602 3.6772 3.6772 3.8633 3.8633 3.8718 3.8718 4.8334 4.8334 4.8519 4.8519 8.6597 8.6597 8.6719 8.6719 9.2352 9.2352 9.2416 9.2416 9.9153 9.9154 k = 0.0576 0.1625 0.6529 ( 3830 PWs) bands (ev): -33.4677 -33.4677 -33.4677 -33.4677 -14.7239 -14.7239 -14.7235 -14.7235 -14.3588 -14.3588 -14.3539 -14.3539 -14.3358 -14.3358 -14.3313 -14.3313 2.7696 2.7696 2.7710 2.7710 2.9628 2.9628 2.9774 2.9774 3.3916 3.3916 3.4029 3.4029 3.6496 3.6496 3.6644 3.6644 3.8650 3.8650 3.8731 3.8731 4.8152 4.8152 4.8323 4.8323 8.6519 8.6519 8.6628 8.6628 9.2320 9.2320 9.2379 9.2379 9.9593 9.9594 k = 0.0512 0.1444 0.6529 ( 3822 PWs) bands (ev): -33.4677 -33.4677 -33.4677 -33.4677 -14.7235 -14.7235 -14.7232 -14.7232 -14.3585 -14.3585 -14.3541 -14.3541 -14.3349 -14.3349 -14.3308 -14.3308 2.7695 2.7695 2.7706 2.7706 2.9652 2.9652 2.9795 2.9795 3.3912 3.3912 3.4030 3.4030 3.6397 3.6397 3.6524 3.6524 3.8669 3.8669 3.8743 3.8743 4.7991 4.7991 4.8147 4.8147 8.6447 8.6447 8.6545 8.6545 9.2291 9.2291 9.2345 9.2345 9.9995 9.9997 k = 0.0448 0.1264 0.6529 ( 3818 PWs) bands (ev): -33.4678 -33.4678 -33.4678 -33.4678 -14.7232 -14.7232 -14.7230 -14.7230 -14.3582 -14.3582 -14.3543 -14.3543 -14.3340 -14.3340 -14.3304 -14.3304 2.7694 2.7694 2.7702 2.7702 2.9675 2.9675 2.9810 2.9810 3.3914 3.3914 3.4032 3.4032 3.6307 3.6307 3.6412 3.6412 3.8688 3.8688 3.8755 3.8755 4.7851 4.7851 4.7991 4.7991 8.6383 8.6383 8.6468 8.6468 9.2265 9.2265 9.2313 9.2313 10.0358 10.0360 k = 0.0384 0.1083 0.6529 ( 3818 PWs) bands (ev): -33.4679 -33.4679 -33.4679 -33.4679 -14.7230 -14.7230 -14.7227 -14.7227 -14.3580 -14.3580 -14.3546 -14.3546 -14.3332 -14.3332 -14.3301 -14.3301 2.7693 2.7693 2.7699 2.7699 2.9696 2.9696 2.9820 2.9820 3.3919 3.3919 3.4034 3.4034 3.6226 3.6226 3.6311 3.6311 3.8706 3.8706 3.8766 3.8766 4.7732 4.7732 4.7854 4.7854 8.6326 8.6326 8.6400 8.6400 9.2243 9.2243 9.2284 9.2284 10.0678 10.0688 k = 0.0320 0.0903 0.6529 ( 3822 PWs) bands (ev): -33.4679 -33.4679 -33.4679 -33.4679 -14.7228 -14.7228 -14.7226 -14.7226 -14.3577 -14.3577 -14.3549 -14.3549 -14.3324 -14.3324 -14.3298 -14.3298 2.7692 2.7692 2.7696 2.7696 2.9716 2.9716 2.9825 2.9825 3.3929 3.3929 3.4034 3.4034 3.6155 3.6155 3.6222 3.6222 3.8723 3.8723 3.8774 3.8774 4.7633 4.7633 4.7737 4.7737 8.6279 8.6279 8.6340 8.6340 9.2225 9.2225 9.2259 9.2259 10.0954 10.0957 k = 0.0256 0.0722 0.6529 ( 3826 PWs) bands (ev): -33.4679 -33.4679 -33.4679 -33.4679 -14.7226 -14.7226 -14.7225 -14.7225 -14.3574 -14.3574 -14.3551 -14.3551 -14.3318 -14.3318 -14.3297 -14.3297 2.7690 2.7690 2.7693 2.7693 2.9735 2.9735 2.9826 2.9826 3.3941 3.3941 3.4032 3.4032 3.6096 3.6096 3.6147 3.6147 3.8738 3.8738 3.8780 3.8780 4.7555 4.7555 4.7639 4.7639 8.6240 8.6240 8.6289 8.6289 9.2210 9.2210 9.2238 9.2238 10.1181 10.1186 k = 0.0192 0.0542 0.6529 ( 3830 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7225 -14.7225 -14.7224 -14.7224 -14.3571 -14.3571 -14.3554 -14.3554 -14.3312 -14.3312 -14.3296 -14.3296 2.7689 2.7689 2.7691 2.7691 2.9752 2.9752 2.9823 2.9823 3.3955 3.3955 3.4028 3.4028 3.6050 3.6050 3.6086 3.6086 3.8752 3.8752 3.8784 3.8784 4.7497 4.7497 4.7560 4.7560 8.6211 8.6211 8.6248 8.6248 9.2200 9.2200 9.2220 9.2220 10.1363 10.1367 k = 0.0128 0.0361 0.6529 ( 3824 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7224 -14.7224 -14.7223 -14.7223 -14.3569 -14.3569 -14.3557 -14.3557 -14.3307 -14.3307 -14.3296 -14.3296 2.7689 2.7689 2.7690 2.7690 2.9769 2.9769 2.9817 2.9817 3.3971 3.3971 3.4022 3.4022 3.6017 3.6017 3.6040 3.6040 3.8764 3.8764 3.8785 3.8785 4.7458 4.7458 4.7501 4.7501 8.6192 8.6192 8.6216 8.6216 9.2193 9.2193 9.2207 9.2207 10.1499 10.1509 k = 0.0064 0.0181 0.6529 ( 3826 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7223 -14.7223 -14.7222 -14.7222 -14.3566 -14.3566 -14.3560 -14.3560 -14.3303 -14.3303 -14.3297 -14.3297 2.7688 2.7688 2.7689 2.7689 2.9783 2.9783 2.9808 2.9808 3.3986 3.3986 3.4012 3.4012 3.5999 3.5999 3.6010 3.6010 3.8773 3.8773 3.8784 3.8784 4.7440 4.7440 4.7461 4.7461 8.6183 8.6183 8.6195 8.6195 9.2191 9.2191 9.2198 9.2198 10.1579 10.1584 k = 0.0000 0.0000 0.6529 ( 3818 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7222 -14.7222 -14.7222 -14.7222 -14.3563 -14.3563 -14.3563 -14.3563 -14.3299 -14.3299 -14.3299 -14.3299 2.7688 2.7688 2.7688 2.7688 2.9797 2.9797 2.9797 2.9797 3.4001 3.4001 3.4001 3.4001 3.5997 3.5997 3.5997 3.5997 3.8780 3.8780 3.8780 3.8780 4.7441 4.7441 4.7441 4.7441 8.6184 8.6184 8.6184 8.6184 9.2192 9.2192 9.2192 9.2192 10.1611 10.1611 k = 0.0000 0.0000 0.6529 ( 3818 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7222 -14.7222 -14.7222 -14.7222 -14.3563 -14.3563 -14.3563 -14.3563 -14.3299 -14.3299 -14.3299 -14.3299 2.7688 2.7688 2.7688 2.7688 2.9797 2.9797 2.9797 2.9797 3.4001 3.4001 3.4001 3.4001 3.5997 3.5997 3.5997 3.5997 3.8780 3.8780 3.8780 3.8780 4.7441 4.7441 4.7441 4.7441 8.6184 8.6184 8.6184 8.6184 9.2192 9.2192 9.2192 9.2192 10.1611 10.1611 k = 0.0000 0.0000 0.6337 ( 3819 PWs) bands (ev): -33.4683 -33.4683 -33.4677 -33.4677 -14.7234 -14.7234 -14.7210 -14.7210 -14.3578 -14.3578 -14.3548 -14.3548 -14.3306 -14.3306 -14.3292 -14.3292 2.7554 2.7554 2.7821 2.7821 2.9784 2.9784 2.9810 2.9810 3.3976 3.3976 3.4026 3.4026 3.5975 3.5975 3.5995 3.5995 3.8708 3.8708 3.8844 3.8844 4.6521 4.6521 4.8415 4.8415 8.5654 8.5654 8.6614 8.6614 9.2157 9.2157 9.2333 9.2333 10.1402 10.1402 k = 0.0000 0.0000 0.6145 ( 3819 PWs) bands (ev): -33.4685 -33.4685 -33.4675 -33.4675 -14.7246 -14.7246 -14.7197 -14.7197 -14.3593 -14.3593 -14.3533 -14.3533 -14.3313 -14.3313 -14.3284 -14.3284 2.7419 2.7419 2.7949 2.7949 2.9770 2.9770 2.9823 2.9823 3.3950 3.3950 3.4051 3.4051 3.5923 3.5923 3.5973 3.5973 3.8628 3.8628 3.8902 3.8902 4.5664 4.5664 4.9435 4.9435 8.5059 8.5059 8.6912 8.6912 9.2254 9.2254 9.2548 9.2548 10.1214 10.1214 k = 0.0000 0.0000 0.5953 ( 3819 PWs) bands (ev): -33.4688 -33.4688 -33.4672 -33.4672 -14.7258 -14.7258 -14.7185 -14.7185 -14.3607 -14.3607 -14.3518 -14.3518 -14.3319 -14.3319 -14.3276 -14.3276 2.7286 2.7286 2.8070 2.8070 2.9757 2.9757 2.9835 2.9835 3.3925 3.3925 3.4076 3.4076 3.5836 3.5836 3.5936 3.5936 3.8541 3.8541 3.8952 3.8952 4.4880 4.4880 5.0495 5.0495 8.4425 8.4425 8.7060 8.7060 9.2500 9.2500 9.2815 9.2815 10.1051 10.1051 k = 0.0000 0.0000 0.5761 ( 3815 PWs) bands (ev): -33.4691 -33.4691 -33.4670 -33.4670 -14.7269 -14.7269 -14.7172 -14.7172 -14.3622 -14.3622 -14.3503 -14.3503 -14.3325 -14.3325 -14.3268 -14.3268 2.7155 2.7155 2.8183 2.8183 2.9743 2.9743 2.9847 2.9847 3.3897 3.3897 3.4101 3.4101 3.5706 3.5706 3.5889 3.5889 3.8446 3.8446 3.8996 3.8996 4.4179 4.4179 5.1587 5.1587 8.3772 8.3772 8.7063 8.7063 9.2877 9.2877 9.3125 9.3125 10.0912 10.0912 k = 0.0000 0.0000 0.5569 ( 3817 PWs) bands (ev): -33.4694 -33.4694 -33.4667 -33.4667 -14.7281 -14.7281 -14.7160 -14.7160 -14.3636 -14.3636 -14.3489 -14.3489 -14.3329 -14.3329 -14.3260 -14.3260 2.7028 2.7028 2.8284 2.8284 2.9729 2.9729 2.9859 2.9859 3.3865 3.3865 3.4122 3.4122 3.5528 3.5528 3.5839 3.5839 3.8343 3.8343 3.9032 3.9032 4.3567 4.3567 5.2706 5.2706 8.3117 8.3117 8.6947 8.6947 9.3313 9.3313 9.3511 9.3511 10.0798 10.0799 k = 0.0000 0.0000 0.5377 ( 3831 PWs) bands (ev): -33.4696 -33.4696 -33.4665 -33.4665 -14.7292 -14.7292 -14.7147 -14.7147 -14.3650 -14.3650 -14.3476 -14.3476 -14.3333 -14.3333 -14.3253 -14.3253 2.6906 2.6906 2.8370 2.8370 2.9715 2.9715 2.9871 2.9871 3.3824 3.3824 3.4136 3.4136 3.5306 3.5306 3.5788 3.5788 3.8235 3.8235 3.9063 3.9063 4.3050 4.3050 5.3845 5.3845 8.2470 8.2470 8.6744 8.6744 9.3689 9.3689 9.4049 9.4049 10.0711 10.0711 k = 0.0000 0.0000 0.5185 ( 3833 PWs) bands (ev): -33.4699 -33.4699 -33.4662 -33.4662 -14.7302 -14.7302 -14.7135 -14.7135 -14.3663 -14.3663 -14.3464 -14.3464 -14.3336 -14.3336 -14.3244 -14.3244 2.6790 2.6790 2.8439 2.8439 2.9702 2.9702 2.9883 2.9883 3.3766 3.3766 3.4130 3.4130 3.5061 3.5061 3.5739 3.5739 3.8125 3.8125 3.9087 3.9087 4.2628 4.2628 5.4999 5.4999 8.1842 8.1842 8.6479 8.6479 9.4034 9.4034 9.4677 9.4677 10.0650 10.0650 k = 0.0000 0.0000 0.4993 ( 3829 PWs) bands (ev): -33.4702 -33.4702 -33.4660 -33.4660 -14.7313 -14.7313 -14.7122 -14.7122 -14.3676 -14.3676 -14.3452 -14.3452 -14.3336 -14.3336 -14.3236 -14.3236 2.6680 2.6680 2.8489 2.8489 2.9688 2.9688 2.9893 2.9893 3.3668 3.3668 3.4081 3.4081 3.4844 3.4844 3.5697 3.5697 3.8016 3.8016 3.9106 3.9106 4.2294 4.2294 5.6162 5.6162 8.1242 8.1242 8.6174 8.6174 9.4373 9.4373 9.5343 9.5343 10.0616 10.0616 k = 0.0000 0.0000 0.4801 ( 3825 PWs) bands (ev): -33.4704 -33.4704 -33.4658 -33.4658 -14.7322 -14.7322 -14.7109 -14.7109 -14.3689 -14.3689 -14.3443 -14.3443 -14.3335 -14.3335 -14.3228 -14.3228 2.6578 2.6578 2.8516 2.8516 2.9675 2.9675 2.9902 2.9902 3.3480 3.3480 3.3981 3.3981 3.4725 3.4725 3.5661 3.5661 3.7909 3.7909 3.9120 3.9120 4.2038 4.2038 5.7325 5.7325 8.0680 8.0680 8.5842 8.5842 9.4709 9.4709 9.6025 9.6025 10.0609 10.0609 k = 0.0000 0.0000 0.4609 ( 3823 PWs) bands (ev): -33.4707 -33.4707 -33.4655 -33.4655 -14.7332 -14.7332 -14.7096 -14.7096 -14.3702 -14.3702 -14.3436 -14.3436 -14.3331 -14.3331 -14.3220 -14.3220 2.6484 2.6484 2.8519 2.8519 2.9661 2.9661 2.9908 2.9908 3.3158 3.3158 3.3882 3.3882 3.4709 3.4709 3.5634 3.5634 3.7808 3.7808 3.9130 3.9130 4.1845 4.1845 5.8479 5.8479 8.0164 8.0164 8.5492 8.5492 9.5040 9.5040 9.6711 9.6711 10.0630 10.0630 k = 0.0000 0.0000 0.4417 ( 3831 PWs) bands (ev): -33.4709 -33.4709 -33.4653 -33.4653 -14.7342 -14.7342 -14.7084 -14.7084 -14.3714 -14.3714 -14.3432 -14.3432 -14.3325 -14.3325 -14.3212 -14.3212 2.6398 2.6398 2.8495 2.8495 2.9646 2.9646 2.9910 2.9910 3.2740 3.2740 3.3805 3.3805 3.4753 3.4753 3.5615 3.5615 3.7712 3.7712 3.9136 3.9136 4.1703 4.1703 5.9615 5.9615 7.9705 7.9705 8.5133 8.5133 9.5366 9.5366 9.7390 9.7390 10.0678 10.0678 k = 0.0000 0.0000 0.4225 ( 3835 PWs) bands (ev): -33.4712 -33.4712 -33.4651 -33.4651 -14.7351 -14.7351 -14.7072 -14.7072 -14.3725 -14.3725 -14.3430 -14.3430 -14.3316 -14.3316 -14.3204 -14.3204 2.6321 2.6321 2.8443 2.8443 2.9628 2.9628 2.9905 2.9905 3.2278 3.2278 3.3744 3.3744 3.4831 3.4831 3.5604 3.5604 3.7622 3.7622 3.9139 3.9139 4.1599 4.1599 6.0720 6.0720 7.9317 7.9317 8.4768 8.4768 9.5686 9.5686 9.8055 9.8055 10.0753 10.0753 k = 0.0000 0.0000 0.4033 ( 3833 PWs) bands (ev): -33.4714 -33.4714 -33.4649 -33.4649 -14.7359 -14.7359 -14.7060 -14.7060 -14.3736 -14.3736 -14.3429 -14.3429 -14.3306 -14.3306 -14.3196 -14.3196 2.6254 2.6254 2.8358 2.8358 2.9608 2.9608 2.9894 2.9894 3.1808 3.1808 3.3690 3.3690 3.4930 3.4930 3.5602 3.5602 3.7539 3.7539 3.9137 3.9137 4.1524 4.1524 6.1779 6.1779 7.9014 7.9014 8.4403 8.4403 9.5999 9.5999 9.8700 9.8700 10.0855 10.0855 k = 0.0000 0.0000 0.3841 ( 3841 PWs) bands (ev): -33.4717 -33.4717 -33.4647 -33.4647 -14.7367 -14.7367 -14.7048 -14.7048 -14.3747 -14.3747 -14.3430 -14.3430 -14.3294 -14.3294 -14.3189 -14.3189 2.6195 2.6195 2.8236 2.8236 2.9584 2.9584 2.9876 2.9876 3.1353 3.1353 3.3643 3.3643 3.5045 3.5045 3.5607 3.5607 3.7463 3.7463 3.9132 3.9132 4.1470 4.1470 6.2773 6.2773 7.8813 7.8813 8.4040 8.4040 9.6304 9.6304 9.9322 9.9322 10.0985 10.0985 k = 0.0000 0.0000 0.3649 ( 3845 PWs) bands (ev): -33.4719 -33.4719 -33.4645 -33.4645 -14.7375 -14.7375 -14.7037 -14.7037 -14.3757 -14.3757 -14.3431 -14.3431 -14.3282 -14.3282 -14.3182 -14.3182 2.6147 2.6147 2.8073 2.8073 2.9555 2.9555 2.9851 2.9851 3.0929 3.0929 3.3603 3.3603 3.5170 3.5170 3.5619 3.5619 3.7393 3.7393 3.9123 3.9123 4.1430 4.1430 6.3684 6.3684 7.8734 7.8734 8.3682 8.3682 9.6599 9.6599 9.9916 9.9916 10.1142 10.1142 k = 0.0000 0.0000 0.3457 ( 3845 PWs) bands (ev): -33.4721 -33.4721 -33.4644 -33.4644 -14.7383 -14.7383 -14.7025 -14.7025 -14.3767 -14.3767 -14.3433 -14.3433 -14.3269 -14.3269 -14.3174 -14.3174 2.6109 2.6109 2.7864 2.7864 2.9518 2.9518 2.9822 2.9822 3.0551 3.0551 3.3569 3.3569 3.5301 3.5301 3.5637 3.5637 3.7332 3.7332 3.9113 3.9113 4.1399 4.1399 6.4490 6.4490 7.8795 7.8795 8.3331 8.3331 9.6884 9.6884 10.0476 10.0476 10.1327 10.1327 k = 0.0000 0.0000 0.3265 ( 3849 PWs) bands (ev): -33.4723 -33.4723 -33.4642 -33.4642 -14.7390 -14.7390 -14.7015 -14.7015 -14.3776 -14.3776 -14.3435 -14.3435 -14.3257 -14.3257 -14.3167 -14.3167 2.6081 2.6081 2.7610 2.7610 2.9473 2.9473 2.9789 2.9789 3.0225 3.0225 3.3543 3.3543 3.5431 3.5431 3.5665 3.5665 3.7280 3.7280 3.9099 3.9099 4.1373 4.1373 6.5174 6.5174 7.9012 7.9012 8.2989 8.2989 9.7158 9.7158 10.0997 10.0997 10.1545 10.1545 k = 0.0000 0.0000 0.3072 ( 3849 PWs) bands (ev): -33.4725 -33.4725 -33.4640 -33.4640 -14.7396 -14.7396 -14.7004 -14.7004 -14.3785 -14.3785 -14.3437 -14.3437 -14.3244 -14.3244 -14.3161 -14.3161 2.6063 2.6063 2.7315 2.7315 2.9417 2.9417 2.9756 2.9756 2.9952 2.9952 3.3524 3.3524 3.5547 3.5547 3.5709 3.5709 3.7238 3.7238 3.9086 3.9086 4.1350 4.1350 6.5724 6.5724 7.9394 7.9394 8.2660 8.2660 9.7419 9.7419 10.1460 10.1460 10.1809 10.1809 k = 0.0000 0.0000 0.2880 ( 3857 PWs) bands (ev): -33.4727 -33.4727 -33.4639 -33.4639 -14.7403 -14.7403 -14.6995 -14.6995 -14.3793 -14.3793 -14.3440 -14.3440 -14.3232 -14.3232 -14.3154 -14.3154 2.6056 2.6056 2.6991 2.6991 2.9346 2.9346 2.9711 2.9711 2.9740 2.9740 3.3513 3.3513 3.5629 3.5629 3.5784 3.5784 3.7207 3.7207 3.9071 3.9071 4.1327 4.1327 6.6139 6.6139 7.9939 7.9939 8.2346 8.2346 9.7665 9.7665 10.1838 10.1838 10.2146 10.2146 k = 0.0000 0.0000 0.2688 ( 3859 PWs) bands (ev): -33.4729 -33.4729 -33.4637 -33.4637 -14.7409 -14.7409 -14.6985 -14.6985 -14.3801 -14.3801 -14.3442 -14.3442 -14.3220 -14.3220 -14.3148 -14.3148 2.6058 2.6058 2.6649 2.6649 2.9253 2.9253 2.9548 2.9548 2.9698 2.9698 3.3509 3.3509 3.5680 3.5680 3.5883 3.5883 3.7192 3.7192 3.9059 3.9059 4.1303 4.1303 6.6428 6.6428 8.0628 8.0628 8.2058 8.2058 9.7894 9.7894 10.2150 10.2150 10.2533 10.2533 k = 0.0000 0.0000 0.2496 ( 3865 PWs) bands (ev): -33.4731 -33.4731 -33.4636 -33.4636 -14.7414 -14.7414 -14.6977 -14.6977 -14.3808 -14.3808 -14.3444 -14.3444 -14.3209 -14.3209 -14.3143 -14.3143 2.6069 2.6069 2.6305 2.6305 2.9132 2.9132 2.9418 2.9418 2.9671 2.9671 3.3511 3.3511 3.5717 3.5717 3.5981 3.5981 3.7192 3.7192 3.9049 3.9049 4.1275 4.1275 6.6607 6.6607 8.1351 8.1351 8.1885 8.1885 9.8104 9.8104 10.2447 10.2447 10.2916 10.2916 k = 0.0000 0.0000 0.2304 ( 3865 PWs) bands (ev): -33.4733 -33.4733 -33.4635 -33.4635 -14.7419 -14.7419 -14.6968 -14.6968 -14.3814 -14.3814 -14.3446 -14.3446 -14.3198 -14.3198 -14.3138 -14.3138 2.5949 2.5949 2.6105 2.6105 2.8988 2.8988 2.9324 2.9324 2.9647 2.9647 3.3519 3.3519 3.5752 3.5752 3.6064 3.6064 3.7210 3.7210 3.9044 3.9044 4.1244 4.1244 6.6698 6.6698 8.1390 8.1390 8.2523 8.2523 9.8289 9.8289 10.2747 10.2747 10.3278 10.3278 k = 0.0000 0.0000 0.2112 ( 3871 PWs) bands (ev): -33.4734 -33.4734 -33.4634 -33.4634 -14.7424 -14.7424 -14.6961 -14.6961 -14.3820 -14.3820 -14.3447 -14.3447 -14.3188 -14.3188 -14.3133 -14.3133 2.5624 2.5624 2.6134 2.6134 2.8833 2.8833 2.9250 2.9250 2.9625 2.9625 3.3532 3.3532 3.5784 3.5784 3.6127 3.6127 3.7244 3.7244 3.9047 3.9047 4.1207 4.1207 6.6722 6.6722 8.1162 8.1162 8.3531 8.3531 9.8448 9.8448 10.3052 10.3052 10.3609 10.3609 k = 0.0000 0.0000 0.1920 ( 3871 PWs) bands (ev): -33.4736 -33.4736 -33.4632 -33.4632 -14.7428 -14.7428 -14.6953 -14.6953 -14.3826 -14.3826 -14.3449 -14.3449 -14.3178 -14.3178 -14.3128 -14.3128 2.5312 2.5312 2.6177 2.6177 2.8673 2.8673 2.9188 2.9188 2.9605 2.9605 3.3548 3.3548 3.5816 3.5816 3.6169 3.6169 3.7291 3.7291 3.9060 3.9060 4.1166 4.1166 6.6697 6.6697 8.0931 8.0931 8.4623 8.4623 9.8571 9.8571 10.3362 10.3362 10.3909 10.3909 k = 0.0000 0.0000 0.1728 ( 3873 PWs) bands (ev): -33.4737 -33.4737 -33.4631 -33.4631 -14.7432 -14.7432 -14.6947 -14.6947 -14.3831 -14.3831 -14.3450 -14.3450 -14.3169 -14.3169 -14.3124 -14.3124 2.5022 2.5022 2.6231 2.6231 2.8512 2.8512 2.9134 2.9134 2.9587 2.9587 3.3567 3.3567 3.5848 3.5848 3.6194 3.6194 3.7344 3.7344 3.9085 3.9085 4.1120 4.1120 6.6641 6.6641 8.0715 8.0715 8.5762 8.5762 9.8653 9.8653 10.3672 10.3672 10.4178 10.4178 k = 0.0000 0.0000 0.1536 ( 3877 PWs) bands (ev): -33.4738 -33.4738 -33.4631 -33.4631 -14.7435 -14.7435 -14.6941 -14.6941 -14.3836 -14.3836 -14.3452 -14.3452 -14.3161 -14.3161 -14.3120 -14.3120 2.4757 2.4757 2.6294 2.6294 2.8350 2.8350 2.9086 2.9086 2.9570 2.9570 3.3588 3.3588 3.5878 3.5878 3.6206 3.6206 3.7396 3.7396 3.9122 3.9122 4.1068 4.1068 6.6566 6.6566 8.0518 8.0518 8.6926 8.6926 9.8681 9.8681 10.3978 10.3978 10.4414 10.4414 k = 0.0000 0.0000 0.1344 ( 3877 PWs) bands (ev): -33.4739 -33.4739 -33.4630 -33.4630 -14.7438 -14.7438 -14.6935 -14.6935 -14.3840 -14.3840 -14.3453 -14.3453 -14.3154 -14.3154 -14.3117 -14.3117 2.4518 2.4518 2.6368 2.6368 2.8189 2.8189 2.9045 2.9045 2.9556 2.9556 3.3609 3.3609 3.5908 3.5908 3.6207 3.6207 3.7442 3.7442 3.9172 3.9172 4.1012 4.1012 6.6482 6.6482 8.0341 8.0341 8.8098 8.8098 9.8644 9.8644 10.4273 10.4273 10.4610 10.4610 k = 0.0000 0.0000 0.1152 ( 3883 PWs) bands (ev): -33.4740 -33.4740 -33.4629 -33.4629 -14.7441 -14.7441 -14.6931 -14.6931 -14.3843 -14.3843 -14.3454 -14.3454 -14.3148 -14.3148 -14.3114 -14.3114 2.4309 2.4309 2.6450 2.6450 2.8030 2.8030 2.9009 2.9009 2.9543 2.9543 3.3629 3.3629 3.5937 3.5937 3.6202 3.6202 3.7480 3.7480 3.9234 3.9234 4.0952 4.0952 6.6396 6.6396 8.0185 8.0185 8.9264 8.9264 9.8525 9.8525 10.4497 10.4497 10.4606 10.4606 k = 0.0000 0.0000 0.0960 ( 3875 PWs) bands (ev): -33.4741 -33.4741 -33.4629 -33.4629 -14.7443 -14.7443 -14.6927 -14.6927 -14.3846 -14.3846 -14.3455 -14.3455 -14.3142 -14.3142 -14.3112 -14.3112 2.4131 2.4131 2.6541 2.6541 2.7873 2.7873 2.8979 2.8979 2.9532 2.9532 3.3648 3.3648 3.5964 3.5964 3.6193 3.6193 3.7509 3.7509 3.9303 3.9303 4.0891 4.0891 6.6316 6.6316 8.0052 8.0052 9.0411 9.0411 9.8310 9.8310 10.4223 10.4223 10.4817 10.4817 k = 0.0000 0.0000 0.0768 ( 3891 PWs) bands (ev): -33.4742 -33.4742 -33.4628 -33.4628 -14.7445 -14.7445 -14.6924 -14.6924 -14.3849 -14.3849 -14.3456 -14.3456 -14.3138 -14.3138 -14.3110 -14.3110 2.3983 2.3983 2.6639 2.6639 2.7719 2.7719 2.8954 2.8954 2.9523 2.9523 3.3665 3.3665 3.5989 3.5989 3.6181 3.6181 3.7528 3.7528 3.9374 3.9374 4.0831 4.0831 6.6245 6.6245 7.9943 7.9943 9.1525 9.1525 9.7985 9.7985 10.3944 10.3944 10.5021 10.5021 k = 0.0000 0.0000 0.0576 ( 3893 PWs) bands (ev): -33.4742 -33.4742 -33.4628 -33.4628 -14.7447 -14.7447 -14.6921 -14.6921 -14.3851 -14.3851 -14.3456 -14.3456 -14.3134 -14.3134 -14.3108 -14.3108 2.3868 2.3868 2.6745 2.6745 2.7570 2.7570 2.8934 2.8934 2.9515 2.9515 3.3679 3.3679 3.6011 3.6011 3.6169 3.6169 3.7541 3.7541 3.9442 3.9442 4.0775 4.0775 6.6187 6.6187 7.9857 7.9857 9.2593 9.2593 9.7543 9.7543 10.3725 10.3725 10.5152 10.5157 k = 0.0000 0.0000 0.0384 ( 3893 PWs) bands (ev): -33.4743 -33.4743 -33.4628 -33.4628 -14.7448 -14.7448 -14.6919 -14.6919 -14.3852 -14.3852 -14.3457 -14.3457 -14.3132 -14.3132 -14.3107 -14.3107 2.3785 2.3785 2.6855 2.6855 2.7429 2.7429 2.8921 2.8921 2.9510 2.9510 3.3689 3.3689 3.6030 3.6030 3.6158 3.6158 3.7549 3.7549 3.9499 3.9499 4.0728 4.0728 6.6143 6.6143 7.9795 7.9795 9.3599 9.3599 9.6990 9.6990 10.3570 10.3570 10.5228 10.5229 k = 0.0000 0.0000 0.0192 ( 3889 PWs) bands (ev): -33.4743 -33.4743 -33.4627 -33.4627 -14.7448 -14.7448 -14.6918 -14.6918 -14.3853 -14.3853 -14.3457 -14.3457 -14.3130 -14.3130 -14.3106 -14.3106 2.3735 2.3735 2.6963 2.6963 2.7303 2.7303 2.8912 2.8912 2.9507 2.9507 3.3696 3.3696 3.6044 3.6044 3.6149 3.6149 3.7553 3.7553 3.9538 3.9538 4.0698 4.0698 6.6117 6.6117 7.9758 7.9758 9.4513 9.4513 9.6349 9.6349 10.3479 10.3479 10.5271 10.5272 k = 0.0000 0.0000 0.0000 ( 3897 PWs) bands (ev): -33.4743 -33.4743 -33.4627 -33.4627 -14.7449 -14.7449 -14.6918 -14.6918 -14.3853 -14.3853 -14.3457 -14.3457 -14.3130 -14.3130 -14.3106 -14.3106 2.3719 2.3719 2.7025 2.7025 2.7234 2.7234 2.8910 2.8910 2.9505 2.9505 3.3698 3.3698 3.6048 3.6048 3.6145 3.6145 3.7554 3.7554 3.9551 3.9551 4.0686 4.0686 6.6108 6.6108 7.9745 7.9745 9.5086 9.5086 9.5867 9.5867 10.3448 10.3448 10.5285 10.5286 k = 0.0000 0.0000 0.0000 ( 3897 PWs) bands (ev): -33.4743 -33.4743 -33.4627 -33.4627 -14.7449 -14.7449 -14.6918 -14.6918 -14.3853 -14.3853 -14.3457 -14.3457 -14.3130 -14.3130 -14.3106 -14.3106 2.3719 2.3719 2.7025 2.7025 2.7234 2.7234 2.8910 2.8910 2.9505 2.9505 3.3698 3.3698 3.6048 3.6048 3.6145 3.6145 3.7554 3.7554 3.9551 3.9551 4.0686 4.0686 6.6108 6.6108 7.9745 7.9745 9.5086 9.5086 9.5867 9.5867 10.3448 10.3448 10.5285 10.5286 k =-0.0179 0.0063 0.0000 ( 3891 PWs) bands (ev): -33.4743 -33.4743 -33.4628 -33.4628 -14.7448 -14.7448 -14.6918 -14.6918 -14.3853 -14.3853 -14.3457 -14.3457 -14.3130 -14.3130 -14.3106 -14.3106 2.3732 2.3732 2.7026 2.7026 2.7236 2.7236 2.8910 2.8910 2.9505 2.9505 3.3697 3.3697 3.6048 3.6048 3.6146 3.6146 3.7554 3.7554 3.9552 3.9552 4.0685 4.0685 6.6018 6.6018 7.9818 7.9818 9.5090 9.5090 9.5857 9.5857 10.3456 10.3456 10.5294 10.5294 k =-0.0357 0.0126 0.0000 ( 3887 PWs) bands (ev): -33.4743 -33.4743 -33.4628 -33.4628 -14.7447 -14.7447 -14.6919 -14.6919 -14.3851 -14.3851 -14.3456 -14.3456 -14.3132 -14.3132 -14.3107 -14.3107 2.3770 2.3770 2.7030 2.7030 2.7241 2.7241 2.8909 2.8909 2.9503 2.9503 3.3694 3.3694 3.6046 3.6046 3.6148 3.6148 3.7556 3.7556 3.9554 3.9554 4.0679 4.0679 6.5754 6.5754 8.0029 8.0029 9.5102 9.5102 9.5829 9.5829 10.3478 10.3478 10.5320 10.5320 k =-0.0536 0.0190 0.0000 ( 3885 PWs) bands (ev): -33.4742 -33.4742 -33.4628 -33.4628 -14.7445 -14.7445 -14.6921 -14.6921 -14.3848 -14.3848 -14.3456 -14.3456 -14.3135 -14.3135 -14.3108 -14.3108 2.3833 2.3833 2.7036 2.7036 2.7251 2.7251 2.8909 2.8909 2.9500 2.9500 3.3691 3.3691 3.6043 3.6043 3.6152 3.6152 3.7559 3.7559 3.9558 3.9558 4.0669 4.0669 6.5333 6.5333 8.0362 8.0362 9.5123 9.5123 9.5782 9.5782 10.3514 10.3514 10.5362 10.5364 k =-0.0714 0.0253 0.0000 ( 3889 PWs) bands (ev): -33.4742 -33.4742 -33.4629 -33.4629 -14.7443 -14.7443 -14.6924 -14.6924 -14.3845 -14.3845 -14.3455 -14.3455 -14.3139 -14.3139 -14.3109 -14.3109 2.3921 2.3921 2.7044 2.7044 2.7263 2.7263 2.8908 2.8908 2.9496 2.9496 3.3685 3.3685 3.6038 3.6038 3.6156 3.6156 3.7563 3.7563 3.9563 3.9563 4.0656 4.0656 6.4778 6.4778 8.0795 8.0795 9.5150 9.5150 9.5718 9.5718 10.3564 10.3564 10.5419 10.5420 k =-0.0893 0.0316 0.0000 ( 3883 PWs) bands (ev): -33.4741 -33.4741 -33.4629 -33.4629 -14.7440 -14.7440 -14.6927 -14.6927 -14.3840 -14.3840 -14.3454 -14.3454 -14.3144 -14.3144 -14.3110 -14.3110 2.4033 2.4033 2.7055 2.7055 2.7280 2.7280 2.8908 2.8908 2.9490 2.9490 3.3678 3.3678 3.6033 3.6033 3.6162 3.6162 3.7569 3.7569 3.9569 3.9569 4.0639 4.0639 6.4112 6.4112 8.1305 8.1305 9.5184 9.5184 9.5639 9.5639 10.3629 10.3629 10.5490 10.5491 k =-0.1071 0.0379 0.0000 ( 3883 PWs) bands (ev): -33.4740 -33.4740 -33.4630 -33.4630 -14.7436 -14.7436 -14.6931 -14.6931 -14.3835 -14.3835 -14.3453 -14.3453 -14.3150 -14.3150 -14.3111 -14.3111 2.4167 2.4167 2.7068 2.7068 2.7300 2.7300 2.8909 2.8909 2.9484 2.9484 3.3670 3.3670 3.6028 3.6028 3.6168 3.6168 3.7576 3.7576 3.9578 3.9578 4.0619 4.0619 6.3359 6.3359 8.1871 8.1871 9.5221 9.5221 9.5546 9.5546 10.3705 10.3705 10.5573 10.5573 k =-0.1250 0.0443 0.0000 ( 3879 PWs) bands (ev): -33.4739 -33.4739 -33.4631 -33.4631 -14.7431 -14.7431 -14.6936 -14.6936 -14.3828 -14.3828 -14.3452 -14.3452 -14.3157 -14.3157 -14.3113 -14.3113 2.4322 2.4322 2.7083 2.7083 2.7323 2.7323 2.8912 2.8912 2.9476 2.9476 3.3660 3.3660 3.6022 3.6022 3.6176 3.6176 3.7584 3.7584 3.9588 3.9588 4.0596 4.0596 6.2537 6.2537 8.2474 8.2474 9.5258 9.5258 9.5446 9.5446 10.3794 10.3794 10.5663 10.5663 k =-0.1429 0.0506 0.0000 ( 3879 PWs) bands (ev): -33.4738 -33.4738 -33.4632 -33.4632 -14.7426 -14.7426 -14.6941 -14.6941 -14.3821 -14.3821 -14.3451 -14.3451 -14.3166 -14.3166 -14.3115 -14.3115 2.4497 2.4497 2.7099 2.7099 2.7350 2.7350 2.8917 2.8917 2.9468 2.9468 3.3649 3.3649 3.6015 3.6015 3.6184 3.6184 3.7594 3.7594 3.9601 3.9601 4.0570 4.0570 6.1662 6.1662 8.3101 8.3101 9.5255 9.5255 9.5379 9.5379 10.3894 10.3894 10.5757 10.5757 k =-0.1607 0.0569 0.0000 ( 3867 PWs) bands (ev): -33.4737 -33.4737 -33.4633 -33.4633 -14.7420 -14.7420 -14.6947 -14.6947 -14.3812 -14.3812 -14.3449 -14.3449 -14.3175 -14.3175 -14.3116 -14.3116 2.4687 2.4687 2.7117 2.7117 2.7381 2.7381 2.8926 2.8926 2.9459 2.9459 3.3639 3.3639 3.6009 3.6009 3.6193 3.6193 3.7606 3.7606 3.9616 3.9616 4.0542 4.0542 6.0749 6.0749 8.3740 8.3740 9.5158 9.5158 9.5400 9.5400 10.4004 10.4004 10.5849 10.5849 k =-0.1786 0.0632 0.0000 ( 3859 PWs) bands (ev): -33.4735 -33.4735 -33.4634 -33.4634 -14.7413 -14.7413 -14.6954 -14.6954 -14.3803 -14.3803 -14.3447 -14.3447 -14.3185 -14.3185 -14.3118 -14.3118 2.4892 2.4892 2.7136 2.7136 2.7417 2.7417 2.8941 2.8941 2.9450 2.9450 3.3627 3.3627 3.6002 3.6002 3.6204 3.6204 3.7621 3.7621 3.9634 3.9634 4.0512 4.0512 5.9806 5.9806 8.4382 8.4382 9.5027 9.5027 9.5449 9.5449 10.4124 10.4124 10.5933 10.5933 k =-0.1964 0.0696 0.0000 ( 3857 PWs) bands (ev): -33.4734 -33.4734 -33.4636 -33.4636 -14.7406 -14.7406 -14.6961 -14.6961 -14.3793 -14.3793 -14.3446 -14.3446 -14.3197 -14.3197 -14.3120 -14.3120 2.5106 2.5106 2.7156 2.7156 2.7455 2.7455 2.8964 2.8964 2.9439 2.9439 3.3613 3.3613 3.5994 3.5994 3.6215 3.6215 3.7638 3.7638 3.9655 3.9655 4.0480 4.0480 5.8844 5.8844 8.5021 8.5021 9.4887 9.4887 9.5504 9.5504 10.4251 10.4251 10.6001 10.6001 k =-0.2143 0.0759 0.0000 ( 3853 PWs) bands (ev): -33.4732 -33.4732 -33.4637 -33.4637 -14.7399 -14.7399 -14.6969 -14.6969 -14.3782 -14.3782 -14.3444 -14.3444 -14.3209 -14.3209 -14.3122 -14.3122 2.5326 2.5326 2.7177 2.7177 2.7498 2.7498 2.8996 2.8996 2.9428 2.9428 3.3600 3.3600 3.5987 3.5987 3.6227 3.6227 3.7658 3.7658 3.9681 3.9681 4.0447 4.0447 5.7870 5.7870 8.5653 8.5653 9.4743 9.4743 9.5560 9.5560 10.4384 10.4384 10.6044 10.6044 k =-0.2321 0.0822 0.0000 ( 3843 PWs) bands (ev): -33.4730 -33.4730 -33.4639 -33.4639 -14.7390 -14.7390 -14.6977 -14.6977 -14.3769 -14.3769 -14.3442 -14.3442 -14.3223 -14.3223 -14.3124 -14.3124 2.5547 2.5547 2.7198 2.7198 2.7544 2.7544 2.9041 2.9041 2.9417 2.9417 3.3586 3.3586 3.5980 3.5980 3.6240 3.6240 3.7682 3.7682 3.9711 3.9711 4.0412 4.0412 5.6890 5.6890 8.6274 8.6274 9.4597 9.4597 9.5616 9.5616 10.4521 10.4521 10.6053 10.6053 k =-0.2500 0.0885 0.0000 ( 3843 PWs) bands (ev): -33.4728 -33.4728 -33.4641 -33.4641 -14.7382 -14.7382 -14.6986 -14.6986 -14.3757 -14.3757 -14.3440 -14.3440 -14.3237 -14.3237 -14.3126 -14.3126 2.5762 2.5762 2.7220 2.7220 2.7593 2.7593 2.9102 2.9102 2.9406 2.9406 3.3572 3.3572 3.5973 3.5973 3.6253 3.6253 3.7709 3.7709 3.9747 3.9747 4.0377 4.0377 5.5910 5.5910 8.6880 8.6880 9.4451 9.4451 9.5671 9.5671 10.4660 10.4660 10.6021 10.6021 k =-0.2679 0.0949 0.0000 ( 3849 PWs) bands (ev): -33.4727 -33.4727 -33.4643 -33.4643 -14.7373 -14.7373 -14.6995 -14.6995 -14.3744 -14.3744 -14.3438 -14.3438 -14.3252 -14.3252 -14.3128 -14.3128 2.5967 2.5967 2.7241 2.7241 2.7644 2.7644 2.9183 2.9183 2.9394 2.9394 3.3558 3.3558 3.5966 3.5966 3.6267 3.6267 3.7739 3.7739 3.9789 3.9789 4.0343 4.0343 5.4935 5.4935 8.7471 8.7471 9.4309 9.4309 9.5725 9.5725 10.4800 10.4800 10.5940 10.5940 k =-0.2857 0.1012 0.0000 ( 3859 PWs) bands (ev): -33.4725 -33.4725 -33.4644 -33.4644 -14.7364 -14.7364 -14.7006 -14.7006 -14.3730 -14.3730 -14.3436 -14.3436 -14.3268 -14.3268 -14.3131 -14.3131 2.6155 2.6155 2.7262 2.7262 2.7695 2.7695 2.9288 2.9288 2.9383 2.9383 3.3544 3.3544 3.5958 3.5958 3.6281 3.6281 3.7775 3.7775 3.9841 3.9841 4.0309 4.0309 5.3970 5.3970 8.8044 8.8044 9.4170 9.4170 9.5776 9.5776 10.4937 10.4937 10.5807 10.5807 k =-0.3036 0.1075 0.0000 ( 3857 PWs) bands (ev): -33.4723 -33.4723 -33.4646 -33.4646 -14.7355 -14.7355 -14.7015 -14.7015 -14.3715 -14.3715 -14.3434 -14.3434 -14.3284 -14.3284 -14.3133 -14.3133 2.6322 2.6322 2.7283 2.7283 2.7745 2.7745 2.9371 2.9371 2.9419 2.9419 3.3531 3.3531 3.5952 3.5952 3.6297 3.6297 3.7814 3.7814 3.9901 3.9901 4.0278 4.0278 5.3021 5.3021 8.8596 8.8596 9.4038 9.4038 9.5825 9.5825 10.5065 10.5065 10.5629 10.5629 k =-0.3214 0.1138 0.0000 ( 3854 PWs) bands (ev): -33.4721 -33.4721 -33.4648 -33.4648 -14.7345 -14.7345 -14.7026 -14.7026 -14.3700 -14.3700 -14.3433 -14.3433 -14.3301 -14.3301 -14.3135 -14.3135 2.6467 2.6467 2.7303 2.7303 2.7792 2.7792 2.9361 2.9361 2.9573 2.9573 3.3518 3.3518 3.5946 3.5946 3.6312 3.6312 3.7858 3.7858 3.9972 3.9972 4.0251 4.0251 5.2092 5.2092 8.9126 8.9126 9.3914 9.3914 9.5871 9.5871 10.5152 10.5152 10.5440 10.5440 k =-0.3393 0.1202 0.0000 ( 3848 PWs) bands (ev): -33.4719 -33.4719 -33.4650 -33.4650 -14.7335 -14.7335 -14.7035 -14.7035 -14.3684 -14.3684 -14.3431 -14.3431 -14.3317 -14.3317 -14.3137 -14.3137 2.6589 2.6589 2.7322 2.7322 2.7833 2.7833 2.9351 2.9351 2.9749 2.9749 3.3506 3.3506 3.5940 3.5940 3.6327 3.6327 3.7906 3.7906 4.0048 4.0048 4.0237 4.0237 5.1188 5.1188 8.9631 8.9631 9.3799 9.3799 9.5914 9.5914 10.5031 10.5031 10.5412 10.5412 k =-0.3571 0.1265 0.0000 ( 3848 PWs) bands (ev): -33.4717 -33.4717 -33.4652 -33.4652 -14.7325 -14.7325 -14.7045 -14.7045 -14.3668 -14.3668 -14.3429 -14.3429 -14.3335 -14.3335 -14.3139 -14.3139 2.6690 2.6690 2.7339 2.7339 2.7867 2.7867 2.9342 2.9342 2.9939 2.9939 3.3495 3.3495 3.5934 3.5934 3.6342 3.6342 3.7956 3.7956 4.0103 4.0103 4.0265 4.0265 5.0314 5.0314 9.0106 9.0106 9.3696 9.3696 9.5954 9.5954 10.4752 10.4752 10.5506 10.5506 k =-0.3750 0.1328 0.0000 ( 3844 PWs) bands (ev): -33.4715 -33.4715 -33.4654 -33.4654 -14.7316 -14.7316 -14.7055 -14.7055 -14.3652 -14.3652 -14.3428 -14.3428 -14.3352 -14.3352 -14.3140 -14.3140 2.6771 2.6771 2.7355 2.7355 2.7896 2.7896 2.9334 2.9334 3.0136 3.0136 3.3485 3.3485 3.5929 3.5929 3.6357 3.6357 3.8007 3.8007 4.0111 4.0111 4.0364 4.0364 4.9479 4.9479 9.0548 9.0548 9.3605 9.3605 9.5991 9.5991 10.4438 10.4438 10.5610 10.5610 k =-0.3929 0.1391 0.0000 ( 3852 PWs) bands (ev): -33.4713 -33.4713 -33.4656 -33.4656 -14.7307 -14.7307 -14.7065 -14.7065 -14.3636 -14.3636 -14.3427 -14.3427 -14.3370 -14.3370 -14.3142 -14.3142 2.6836 2.6836 2.7370 2.7370 2.7919 2.7919 2.9326 2.9326 3.0331 3.0331 3.3475 3.3475 3.5924 3.5924 3.6370 3.6370 3.8058 3.8058 4.0097 4.0097 4.0509 4.0509 4.8690 4.8690 9.0949 9.0949 9.3529 9.3529 9.6023 9.6023 10.4119 10.4119 10.5707 10.5707 k =-0.4107 0.1455 0.0000 ( 3854 PWs) bands (ev): -33.4712 -33.4712 -33.4657 -33.4657 -14.7298 -14.7298 -14.7074 -14.7074 -14.3620 -14.3620 -14.3426 -14.3426 -14.3387 -14.3387 -14.3143 -14.3143 2.6887 2.6887 2.7382 2.7382 2.7937 2.7937 2.9320 2.9320 3.0513 3.0513 3.3467 3.3467 3.5919 3.5919 3.6382 3.6382 3.8105 3.8105 4.0080 4.0080 4.0681 4.0681 4.7958 4.7958 9.1304 9.1304 9.3468 9.3468 9.6052 9.6052 10.3812 10.3812 10.5793 10.5793 k =-0.4286 0.1518 0.0000 ( 3848 PWs) bands (ev): -33.4710 -33.4710 -33.4659 -33.4659 -14.7290 -14.7290 -14.7082 -14.7082 -14.3604 -14.3604 -14.3425 -14.3425 -14.3403 -14.3403 -14.3144 -14.3144 2.6926 2.6926 2.7393 2.7393 2.7950 2.7950 2.9314 2.9314 3.0675 3.0675 3.3461 3.3461 3.5915 3.5915 3.6392 3.6392 3.8147 3.8147 4.0065 4.0065 4.0872 4.0872 4.7298 4.7298 9.1604 9.1604 9.3425 9.3425 9.6078 9.6078 10.3532 10.3532 10.5866 10.5866 k =-0.4464 0.1581 0.0000 ( 3844 PWs) bands (ev): -33.4709 -33.4709 -33.4660 -33.4660 -14.7284 -14.7284 -14.7088 -14.7088 -14.3590 -14.3590 -14.3425 -14.3425 -14.3416 -14.3416 -14.3145 -14.3145 2.6955 2.6955 2.7401 2.7401 2.7960 2.7960 2.9310 2.9310 3.0809 3.0809 3.3456 3.3456 3.5912 3.5912 3.6401 3.6401 3.8182 3.8182 4.0053 4.0053 4.1067 4.1067 4.6730 4.6730 9.1842 9.1842 9.3399 9.3399 9.6099 9.6099 10.3296 10.3296 10.5925 10.5925 k =-0.4643 0.1644 0.0000 ( 3848 PWs) bands (ev): -33.4708 -33.4708 -33.4661 -33.4661 -14.7279 -14.7279 -14.7094 -14.7094 -14.3578 -14.3578 -14.3433 -14.3433 -14.3421 -14.3421 -14.3146 -14.3146 2.6975 2.6975 2.7407 2.7407 2.7967 2.7967 2.9307 2.9307 3.0909 3.0909 3.3452 3.3452 3.5910 3.5910 3.6406 3.6406 3.8208 3.8208 4.0043 4.0043 4.1243 4.1243 4.6283 4.6283 9.2012 9.2012 9.3387 9.3387 9.6115 9.6115 10.3115 10.3115 10.5967 10.5967 k =-0.4821 0.1708 0.0000 ( 3852 PWs) bands (ev): -33.4707 -33.4707 -33.4661 -33.4661 -14.7276 -14.7276 -14.7097 -14.7097 -14.3569 -14.3569 -14.3441 -14.3441 -14.3421 -14.3421 -14.3146 -14.3146 2.6986 2.6986 2.7410 2.7410 2.7971 2.7971 2.9305 2.9305 3.0970 3.0970 3.3450 3.3450 3.5909 3.5909 3.6410 3.6410 3.8223 3.8223 4.0037 4.0037 4.1371 4.1371 4.5991 4.5991 9.2113 9.2113 9.3384 9.3384 9.6124 9.6124 10.3002 10.3002 10.5993 10.5993 k =-0.5000 0.1771 0.0000 ( 3852 PWs) bands (ev): -33.4707 -33.4707 -33.4662 -33.4662 -14.7274 -14.7274 -14.7098 -14.7098 -14.3566 -14.3566 -14.3444 -14.3444 -14.3422 -14.3422 -14.3147 -14.3147 2.6990 2.6990 2.7412 2.7412 2.7972 2.7972 2.9304 2.9304 3.0991 3.0991 3.3449 3.3449 3.5908 3.5908 3.6411 3.6411 3.8228 3.8228 4.0035 4.0035 4.1418 4.1418 4.5889 4.5889 9.2147 9.2147 9.3384 9.3384 9.6127 9.6127 10.2963 10.2963 10.6002 10.6002 k =-0.5000 0.1771 0.0000 ( 3852 PWs) bands (ev): -33.4707 -33.4707 -33.4662 -33.4662 -14.7274 -14.7274 -14.7098 -14.7098 -14.3566 -14.3566 -14.3444 -14.3444 -14.3422 -14.3422 -14.3147 -14.3147 2.6990 2.6990 2.7412 2.7412 2.7972 2.7972 2.9304 2.9304 3.0991 3.0991 3.3449 3.3449 3.5908 3.5908 3.6411 3.6411 3.8228 3.8228 4.0035 4.0035 4.1418 4.1418 4.5889 4.5889 9.2147 9.2147 9.3384 9.3384 9.6127 9.6127 10.2963 10.2963 10.6002 10.6002 k =-0.4936 0.1953-0.0000 ( 3840 PWs) bands (ev): -33.4707 -33.4707 -33.4662 -33.4662 -14.7274 -14.7274 -14.7098 -14.7098 -14.3566 -14.3566 -14.3446 -14.3446 -14.3420 -14.3420 -14.3147 -14.3147 2.6992 2.6992 2.7413 2.7413 2.7973 2.7973 2.9304 2.9304 3.1005 3.1005 3.3448 3.3448 3.5911 3.5911 3.6410 3.6410 3.8228 3.8228 4.0035 4.0035 4.1419 4.1419 4.5911 4.5911 9.2157 9.2157 9.3379 9.3379 9.6102 9.6102 10.2965 10.2965 10.6000 10.6000 k =-0.4871 0.2134-0.0000 ( 3848 PWs) bands (ev): -33.4707 -33.4707 -33.4662 -33.4662 -14.7275 -14.7275 -14.7099 -14.7099 -14.3566 -14.3566 -14.3451 -14.3451 -14.3417 -14.3417 -14.3149 -14.3149 2.6996 2.6996 2.7415 2.7415 2.7975 2.7975 2.9303 2.9303 3.1044 3.1044 3.3444 3.3444 3.5918 3.5918 3.6406 3.6406 3.8225 3.8225 4.0033 4.0033 4.1421 4.1421 4.5977 4.5977 9.2188 9.2188 9.3363 9.3363 9.6025 9.6025 10.2969 10.2969 10.5994 10.5994 k =-0.4807 0.2316-0.0000 ( 3846 PWs) bands (ev): -33.4706 -33.4706 -33.4661 -33.4661 -14.7275 -14.7275 -14.7101 -14.7101 -14.3565 -14.3565 -14.3458 -14.3458 -14.3413 -14.3413 -14.3152 -14.3152 2.7002 2.7002 2.7419 2.7419 2.7979 2.7979 2.9301 2.9301 3.1108 3.1108 3.3439 3.3439 3.5929 3.5929 3.6402 3.6402 3.8221 3.8221 4.0031 4.0031 4.1425 4.1425 4.6085 4.6085 9.2237 9.2237 9.3340 9.3340 9.5893 9.5893 10.2976 10.2976 10.5984 10.5984 k =-0.4743 0.2497-0.0000 ( 3842 PWs) bands (ev): -33.4706 -33.4706 -33.4661 -33.4661 -14.7276 -14.7276 -14.7104 -14.7104 -14.3564 -14.3564 -14.3465 -14.3465 -14.3409 -14.3409 -14.3156 -14.3156 2.7011 2.7011 2.7425 2.7425 2.7984 2.7984 2.9298 2.9298 3.1198 3.1198 3.3432 3.3432 3.5941 3.5941 3.6400 3.6400 3.8216 3.8216 4.0028 4.0028 4.1432 4.1432 4.6236 4.6236 9.2298 9.2298 9.3315 9.3315 9.5704 9.5704 10.2985 10.2985 10.5970 10.5970 k =-0.4678 0.2679-0.0000 ( 3838 PWs) bands (ev): -33.4705 -33.4705 -33.4661 -33.4661 -14.7277 -14.7277 -14.7107 -14.7107 -14.3562 -14.3562 -14.3474 -14.3474 -14.3405 -14.3405 -14.3161 -14.3161 2.7022 2.7022 2.7432 2.7432 2.7991 2.7991 2.9294 2.9294 3.1311 3.1311 3.3423 3.3423 3.5953 3.5953 3.6403 3.6403 3.8209 3.8209 4.0024 4.0024 4.1442 4.1442 4.6428 4.6428 9.2363 9.2363 9.3296 9.3296 9.5452 9.5452 10.2994 10.2994 10.5951 10.5951 k =-0.4614 0.2860-0.0000 ( 3846 PWs) bands (ev): -33.4704 -33.4704 -33.4661 -33.4661 -14.7278 -14.7278 -14.7111 -14.7111 -14.3560 -14.3560 -14.3483 -14.3483 -14.3403 -14.3403 -14.3168 -14.3168 2.7036 2.7036 2.7441 2.7441 2.7998 2.7998 2.9290 2.9290 3.1446 3.1446 3.3412 3.3412 3.5961 3.5961 3.6415 3.6415 3.8201 3.8201 4.0019 4.0019 4.1456 4.1456 4.6659 4.6659 9.2414 9.2414 9.3298 9.3298 9.5134 9.5134 10.3001 10.3001 10.5927 10.5927 k =-0.4550 0.3042-0.0000 ( 3840 PWs) bands (ev): -33.4703 -33.4703 -33.4661 -33.4661 -14.7279 -14.7279 -14.7115 -14.7115 -14.3558 -14.3558 -14.3493 -14.3493 -14.3400 -14.3400 -14.3175 -14.3175 2.7052 2.7052 2.7451 2.7451 2.8008 2.8008 2.9285 2.9285 3.1602 3.1602 3.3402 3.3402 3.5964 3.5964 3.6441 3.6441 3.8194 3.8194 4.0013 4.0013 4.1474 4.1474 4.6929 4.6929 9.2433 9.2433 9.3337 9.3337 9.4746 9.4746 10.3006 10.3006 10.5897 10.5897 k =-0.4486 0.3223-0.0000 ( 3842 PWs) bands (ev): -33.4702 -33.4702 -33.4661 -33.4661 -14.7281 -14.7281 -14.7120 -14.7120 -14.3556 -14.3556 -14.3504 -14.3504 -14.3398 -14.3398 -14.3184 -14.3184 2.7069 2.7069 2.7462 2.7462 2.8018 2.8018 2.9280 2.9280 3.1774 3.1774 3.3392 3.3392 3.5961 3.5961 3.6482 3.6482 3.8186 3.8186 4.0006 4.0006 4.1498 4.1498 4.7234 4.7234 9.2408 9.2408 9.3405 9.3405 9.4300 9.4300 10.3005 10.3005 10.5861 10.5861 k =-0.4421 0.3405-0.0000 ( 3848 PWs) bands (ev): -33.4701 -33.4701 -33.4660 -33.4660 -14.7282 -14.7282 -14.7126 -14.7126 -14.3554 -14.3554 -14.3514 -14.3514 -14.3397 -14.3397 -14.3194 -14.3194 2.7087 2.7087 2.7474 2.7474 2.8029 2.8029 2.9273 2.9273 3.1959 3.1959 3.3384 3.3384 3.5955 3.5955 3.6539 3.6539 3.8177 3.8177 3.9998 3.9998 4.1529 4.1529 4.7575 4.7575 9.2341 9.2341 9.3369 9.3369 9.3922 9.3922 10.2995 10.2995 10.5818 10.5818 k =-0.4357 0.3586-0.0000 ( 3848 PWs) bands (ev): -33.4700 -33.4700 -33.4660 -33.4660 -14.7284 -14.7284 -14.7132 -14.7132 -14.3552 -14.3552 -14.3525 -14.3525 -14.3396 -14.3396 -14.3203 -14.3203 2.7107 2.7107 2.7487 2.7487 2.8041 2.8041 2.9266 2.9266 3.2151 3.2151 3.3382 3.3382 3.5950 3.5950 3.6611 3.6611 3.8170 3.8170 3.9989 3.9989 4.1568 4.1568 4.7950 4.7950 9.2241 9.2241 9.2885 9.2885 9.3939 9.3939 10.2974 10.2974 10.5767 10.5771 k =-0.4293 0.3768-0.0000 ( 3852 PWs) bands (ev): -33.4698 -33.4698 -33.4660 -33.4660 -14.7286 -14.7286 -14.7139 -14.7139 -14.3550 -14.3550 -14.3537 -14.3537 -14.3395 -14.3395 -14.3214 -14.3214 2.7128 2.7128 2.7500 2.7500 2.8054 2.8054 2.9258 2.9258 3.2340 3.2340 3.3390 3.3390 3.5950 3.5950 3.6696 3.6696 3.8162 3.8162 3.9979 3.9979 4.1615 4.1615 4.8357 4.8357 9.2094 9.2094 9.2183 9.2183 9.4135 9.4135 10.2937 10.2937 10.5697 10.5698 k =-0.4228 0.3950-0.0000 ( 3856 PWs) bands (ev): -33.4697 -33.4697 -33.4660 -33.4660 -14.7288 -14.7288 -14.7147 -14.7147 -14.3551 -14.3551 -14.3545 -14.3545 -14.3395 -14.3395 -14.3225 -14.3225 2.7149 2.7149 2.7514 2.7514 2.8069 2.8069 2.9248 2.9248 3.2514 3.2514 3.3417 3.3417 3.5961 3.5961 3.6793 3.6793 3.8156 3.8156 3.9968 3.9968 4.1674 4.1674 4.8796 4.8796 9.1306 9.1306 9.1985 9.1985 9.4378 9.4378 10.2881 10.2881 10.5422 10.5423 k =-0.4164 0.4131-0.0000 ( 3848 PWs) bands (ev): -33.4695 -33.4695 -33.4659 -33.4659 -14.7290 -14.7290 -14.7154 -14.7154 -14.3562 -14.3562 -14.3544 -14.3544 -14.3395 -14.3395 -14.3236 -14.3236 2.7171 2.7171 2.7529 2.7529 2.8085 2.8085 2.9237 2.9237 3.2655 3.2655 3.3473 3.3473 3.5990 3.5990 3.6900 3.6900 3.8150 3.8150 3.9957 3.9957 4.1745 4.1745 4.9266 4.9266 9.0360 9.0360 9.1833 9.1833 9.4645 9.4645 10.2801 10.2801 10.5059 10.5059 k =-0.4100 0.4313-0.0000 ( 3848 PWs) bands (ev): -33.4693 -33.4693 -33.4659 -33.4659 -14.7293 -14.7293 -14.7163 -14.7163 -14.3574 -14.3574 -14.3542 -14.3542 -14.3396 -14.3396 -14.3247 -14.3247 2.7193 2.7193 2.7543 2.7543 2.8102 2.8102 2.9225 2.9225 3.2751 3.2751 3.3563 3.3563 3.6044 3.6044 3.7016 3.7016 3.8146 3.8146 3.9945 3.9945 4.1830 4.1830 4.9766 4.9766 8.9323 8.9323 9.1675 9.1675 9.4924 9.4924 10.2691 10.2691 10.4724 10.4724 k =-0.4035 0.4494-0.0000 ( 3848 PWs) bands (ev): -33.4691 -33.4691 -33.4659 -33.4659 -14.7295 -14.7295 -14.7172 -14.7172 -14.3586 -14.3586 -14.3541 -14.3541 -14.3397 -14.3397 -14.3258 -14.3258 2.7215 2.7215 2.7558 2.7558 2.8120 2.8120 2.9210 2.9210 3.2802 3.2802 3.3678 3.3678 3.6129 3.6129 3.7140 3.7140 3.8142 3.8142 3.9932 3.9932 4.1933 4.1933 5.0294 5.0294 8.8206 8.8206 9.1510 9.1510 9.5208 9.5208 10.2548 10.2548 10.4426 10.4427 k =-0.3971 0.4676-0.0000 ( 3848 PWs) bands (ev): -33.4689 -33.4689 -33.4659 -33.4659 -14.7297 -14.7297 -14.7181 -14.7181 -14.3598 -14.3598 -14.3541 -14.3541 -14.3397 -14.3397 -14.3269 -14.3269 2.7237 2.7237 2.7572 2.7572 2.8139 2.8139 2.9194 2.9194 3.2819 3.2819 3.3799 3.3799 3.6250 3.6250 3.7272 3.7272 3.8139 3.8139 3.9918 3.9918 4.2057 4.2057 5.0852 5.0852 8.7017 8.7017 9.1342 9.1342 9.5488 9.5488 10.2365 10.2365 10.4173 10.4173 k =-0.3907 0.4857-0.0000 ( 3844 PWs) bands (ev): -33.4687 -33.4687 -33.4659 -33.4659 -14.7300 -14.7300 -14.7191 -14.7191 -14.3610 -14.3610 -14.3541 -14.3541 -14.3398 -14.3398 -14.3279 -14.3279 2.7258 2.7258 2.7586 2.7586 2.8159 2.8159 2.9177 2.9177 3.2816 3.2816 3.3909 3.3909 3.6409 3.6409 3.7409 3.7409 3.8138 3.8138 3.9905 3.9905 4.2204 4.2204 5.1437 5.1437 8.5769 8.5769 9.1173 9.1173 9.5756 9.5756 10.2139 10.2139 10.3968 10.3968 k =-0.3843 0.5039-0.0000 ( 3844 PWs) bands (ev): -33.4685 -33.4685 -33.4658 -33.4658 -14.7302 -14.7302 -14.7201 -14.7201 -14.3622 -14.3622 -14.3543 -14.3543 -14.3399 -14.3399 -14.3289 -14.3289 2.7279 2.7279 2.7600 2.7600 2.8180 2.8180 2.9158 2.9158 3.2799 3.2799 3.3998 3.3998 3.6601 3.6601 3.7552 3.7552 3.8139 3.8139 3.9890 3.9890 4.2381 4.2381 5.2050 5.2050 8.4469 8.4469 9.1004 9.1004 9.6001 9.6001 10.1863 10.1863 10.3819 10.3819 k =-0.3778 0.5220-0.0000 ( 3844 PWs) bands (ev): -33.4682 -33.4682 -33.4658 -33.4658 -14.7304 -14.7304 -14.7211 -14.7211 -14.3634 -14.3634 -14.3545 -14.3545 -14.3400 -14.3400 -14.3298 -14.3298 2.7299 2.7299 2.7613 2.7613 2.8202 2.8202 2.9137 2.9137 3.2774 3.2774 3.4064 3.4064 3.6819 3.6819 3.7698 3.7698 3.8143 3.8143 3.9876 3.9876 4.2591 4.2591 5.2690 5.2690 8.3128 8.3128 9.0836 9.0836 9.6212 9.6212 10.1535 10.1535 10.3731 10.3731 k =-0.3714 0.5402-0.0000 ( 3848 PWs) bands (ev): -33.4680 -33.4680 -33.4658 -33.4658 -14.7307 -14.7307 -14.7221 -14.7221 -14.3646 -14.3646 -14.3549 -14.3549 -14.3401 -14.3401 -14.3306 -14.3306 2.7318 2.7318 2.7625 2.7625 2.8224 2.8224 2.9114 2.9114 3.2745 3.2745 3.4110 3.4110 3.7050 3.7050 3.7847 3.7847 3.8151 3.8151 3.9861 3.9861 4.2839 4.2839 5.3356 5.3356 8.1755 8.1755 9.0672 9.0672 9.6380 9.6380 10.1151 10.1151 10.3711 10.3711 k =-0.3650 0.5584-0.0000 ( 3848 PWs) bands (ev): -33.4678 -33.4678 -33.4658 -33.4658 -14.7309 -14.7309 -14.7232 -14.7232 -14.3657 -14.3657 -14.3555 -14.3555 -14.3402 -14.3402 -14.3312 -14.3312 2.7337 2.7337 2.7636 2.7636 2.8247 2.8247 2.9091 2.9091 3.2712 3.2712 3.4138 3.4138 3.7282 3.7282 3.7995 3.7995 3.8168 3.8168 3.9846 3.9846 4.3131 4.3131 5.4048 5.4048 8.0357 8.0357 9.0511 9.0511 9.6496 9.6496 10.0710 10.0710 10.3765 10.3765 k =-0.3585 0.5765-0.0000 ( 3836 PWs) bands (ev): -33.4675 -33.4675 -33.4658 -33.4658 -14.7311 -14.7311 -14.7242 -14.7242 -14.3668 -14.3668 -14.3561 -14.3561 -14.3402 -14.3402 -14.3317 -14.3317 2.7355 2.7355 2.7646 2.7646 2.8270 2.8270 2.9066 2.9066 3.2678 3.2678 3.4155 3.4155 3.7498 3.7498 3.8130 3.8130 3.8211 3.8211 3.9832 3.9832 4.3471 4.3471 5.4766 5.4766 7.8944 7.8944 9.0356 9.0356 9.6554 9.6554 10.0211 10.0211 10.3895 10.3895 k =-0.3521 0.5947-0.0000 ( 3844 PWs) bands (ev): -33.4673 -33.4673 -33.4658 -33.4658 -14.7314 -14.7314 -14.7253 -14.7253 -14.3678 -14.3678 -14.3569 -14.3569 -14.3403 -14.3403 -14.3322 -14.3322 2.7372 2.7372 2.7654 2.7654 2.8293 2.8293 2.9040 2.9040 3.2644 3.2644 3.4163 3.4163 3.7683 3.7683 3.8208 3.8208 3.8328 3.8328 3.9817 3.9817 4.3860 4.3860 5.5508 5.5508 7.7520 7.7520 9.0207 9.0207 9.6552 9.6552 9.9654 9.9654 10.4098 10.4098 k =-0.3457 0.6128-0.0000 ( 3852 PWs) bands (ev): -33.4671 -33.4671 -33.4659 -33.4659 -14.7316 -14.7316 -14.7263 -14.7263 -14.3688 -14.3688 -14.3578 -14.3578 -14.3404 -14.3404 -14.3324 -14.3324 2.7388 2.7388 2.7662 2.7662 2.8315 2.8315 2.9014 2.9014 3.2609 3.2609 3.4165 3.4165 3.7819 3.7819 3.8284 3.8284 3.8475 3.8475 3.9805 3.9805 4.4299 4.4299 5.6274 5.6274 7.6094 7.6094 9.0066 9.0066 9.6490 9.6490 9.9044 9.9044 10.4346 10.4346 k =-0.3392 0.6310-0.0000 ( 3854 PWs) bands (ev): -33.4668 -33.4668 -33.4659 -33.4659 -14.7319 -14.7319 -14.7273 -14.7273 -14.3698 -14.3698 -14.3588 -14.3588 -14.3405 -14.3405 -14.3325 -14.3325 2.7404 2.7404 2.7668 2.7668 2.8337 2.8337 2.8988 2.8988 3.2574 3.2574 3.4163 3.4163 3.7903 3.7903 3.8388 3.8388 3.8623 3.8623 3.9793 3.9793 4.4788 4.4788 5.7064 5.7064 7.4671 7.4671 8.9933 8.9933 9.6373 9.6373 9.8383 9.8383 10.4302 10.4302 k =-0.3328 0.6491-0.0000 ( 3842 PWs) bands (ev): -33.4666 -33.4666 -33.4659 -33.4659 -14.7321 -14.7321 -14.7283 -14.7283 -14.3706 -14.3706 -14.3598 -14.3598 -14.3406 -14.3406 -14.3324 -14.3324 2.7420 2.7420 2.7673 2.7673 2.8359 2.8359 2.8962 2.8962 3.2542 3.2542 3.4160 3.4160 3.7949 3.7949 3.8508 3.8508 3.8767 3.8767 3.9782 3.9782 4.5322 4.5322 5.7876 5.7876 7.3257 7.3257 8.9809 8.9809 9.6205 9.6205 9.7679 9.7679 10.4202 10.4202 k =-0.3264 0.6673-0.0000 ( 3842 PWs) bands (ev): -33.4663 -33.4663 -33.4660 -33.4660 -14.7324 -14.7324 -14.7291 -14.7291 -14.3714 -14.3714 -14.3609 -14.3609 -14.3409 -14.3409 -14.3322 -14.3322 2.7435 2.7435 2.7676 2.7676 2.8379 2.8379 2.8936 2.8936 3.2510 3.2510 3.4155 3.4155 3.7973 3.7973 3.8628 3.8628 3.8903 3.8903 3.9773 3.9773 4.5897 4.5897 5.8710 5.8710 7.1859 7.1859 8.9695 8.9695 9.5983 9.5983 9.6949 9.6949 10.4107 10.4107 k =-0.3199 0.6854-0.0000 ( 3844 PWs) bands (ev): -33.4661 -33.4661 -33.4660 -33.4660 -14.7329 -14.7329 -14.7297 -14.7297 -14.3721 -14.3721 -14.3620 -14.3620 -14.3412 -14.3412 -14.3319 -14.3319 2.7449 2.7449 2.7677 2.7677 2.8397 2.8397 2.8910 2.8910 3.2481 3.2481 3.4151 3.4151 3.7985 3.7985 3.8741 3.8741 3.9031 3.9031 3.9766 3.9766 4.6506 4.6506 5.9565 5.9565 7.0484 7.0484 8.9591 8.9591 9.5663 9.5663 9.6247 9.6247 10.4019 10.4019 k =-0.3135 0.7036-0.0000 ( 3844 PWs) bands (ev): -33.4661 -33.4661 -33.4659 -33.4659 -14.7335 -14.7335 -14.7301 -14.7301 -14.3728 -14.3728 -14.3630 -14.3630 -14.3415 -14.3415 -14.3315 -14.3315 2.7463 2.7463 2.7677 2.7677 2.8414 2.8414 2.8886 2.8886 3.2454 3.2454 3.4148 3.4148 3.7991 3.7991 3.8844 3.8844 3.9148 3.9148 3.9761 3.9761 4.7139 4.7139 6.0440 6.0440 6.9140 6.9140 8.9498 8.9498 9.5093 9.5093 9.5739 9.5739 10.3942 10.3942 k =-0.3071 0.7218-0.0000 ( 3848 PWs) bands (ev): -33.4661 -33.4661 -33.4656 -33.4656 -14.7343 -14.7343 -14.7303 -14.7303 -14.3734 -14.3734 -14.3641 -14.3641 -14.3419 -14.3419 -14.3310 -14.3310 2.7475 2.7475 2.7675 2.7675 2.8430 2.8430 2.8862 2.8862 3.2429 3.2429 3.4146 3.4146 3.7994 3.7994 3.8934 3.8934 3.9255 3.9255 3.9759 3.9759 4.7786 4.7786 6.1333 6.1333 6.7836 6.7836 8.9415 8.9415 9.4311 9.4311 9.5400 9.5400 10.3874 10.3874 k =-0.3007 0.7399-0.0000 ( 3852 PWs) bands (ev): -33.4662 -33.4662 -33.4654 -33.4654 -14.7351 -14.7351 -14.7304 -14.7304 -14.3740 -14.3740 -14.3651 -14.3651 -14.3423 -14.3423 -14.3305 -14.3305 2.7487 2.7487 2.7671 2.7671 2.8442 2.8442 2.8840 2.8840 3.2407 3.2407 3.4145 3.4145 3.7993 3.7993 3.9013 3.9013 3.9350 3.9350 3.9761 3.9761 4.8434 4.8434 6.2244 6.2244 6.6585 6.6585 8.9342 8.9342 9.3462 9.3462 9.5095 9.5095 10.3819 10.3819 k =-0.2942 0.7581-0.0000 ( 3848 PWs) bands (ev): -33.4663 -33.4663 -33.4652 -33.4652 -14.7360 -14.7360 -14.7303 -14.7303 -14.3745 -14.3745 -14.3660 -14.3660 -14.3427 -14.3427 -14.3299 -14.3299 2.7499 2.7499 2.7665 2.7665 2.8452 2.8452 2.8820 2.8820 3.2388 3.2388 3.4147 3.4147 3.7992 3.7992 3.9082 3.9082 3.9433 3.9433 3.9767 3.9767 4.9065 4.9065 6.3169 6.3169 6.5403 6.5403 8.9278 8.9278 9.2590 9.2590 9.4793 9.4793 10.3777 10.3777 k =-0.2878 0.7762-0.0000 ( 3856 PWs) bands (ev): -33.4664 -33.4664 -33.4650 -33.4650 -14.7369 -14.7369 -14.7301 -14.7301 -14.3749 -14.3749 -14.3669 -14.3669 -14.3432 -14.3432 -14.3292 -14.3292 2.7509 2.7509 2.7658 2.7658 2.8460 2.8460 2.8802 2.8802 3.2373 3.2373 3.4150 3.4150 3.7987 3.7987 3.9139 3.9139 3.9503 3.9503 3.9779 3.9779 4.9655 4.9655 6.4092 6.4092 6.4330 6.4330 8.9217 8.9217 9.1713 9.1713 9.4490 9.4490 10.3748 10.3748 k =-0.2814 0.7944-0.0000 ( 3856 PWs) bands (ev): -33.4665 -33.4665 -33.4648 -33.4648 -14.7378 -14.7378 -14.7298 -14.7298 -14.3753 -14.3753 -14.3676 -14.3676 -14.3436 -14.3436 -14.3285 -14.3285 2.7518 2.7518 2.7648 2.7648 2.8464 2.8464 2.8788 2.8788 3.2360 3.2360 3.4156 3.4156 3.7981 3.7981 3.9187 3.9187 3.9559 3.9559 3.9796 3.9796 5.0172 5.0172 6.3339 6.3339 6.5067 6.5067 8.9146 8.9146 9.0854 9.0854 9.4187 9.4187 10.3735 10.3735 k =-0.2814 0.7944-0.0000 ( 3856 PWs) bands (ev): -33.4665 -33.4665 -33.4648 -33.4648 -14.7378 -14.7378 -14.7298 -14.7298 -14.3753 -14.3753 -14.3676 -14.3676 -14.3436 -14.3436 -14.3285 -14.3285 2.7518 2.7518 2.7648 2.7648 2.8464 2.8464 2.8788 2.8788 3.2360 3.2360 3.4156 3.4156 3.7981 3.7981 3.9187 3.9187 3.9559 3.9559 3.9796 3.9796 5.0172 5.0172 6.3339 6.3339 6.5067 6.5067 8.9146 8.9146 9.0854 9.0854 9.4187 9.4187 10.3735 10.3735 k =-0.2814 0.7944 0.0192 ( 3854 PWs) bands (ev): -33.4665 -33.4665 -33.4648 -33.4648 -14.7377 -14.7377 -14.7298 -14.7298 -14.3754 -14.3754 -14.3676 -14.3676 -14.3436 -14.3436 -14.3285 -14.3285 2.7496 2.7496 2.7669 2.7669 2.8468 2.8468 2.8788 2.8788 3.2357 3.2357 3.4166 3.4166 3.7976 3.7976 3.9143 3.9143 3.9578 3.9578 3.9822 3.9822 5.0180 5.0180 6.3359 6.3359 6.5076 6.5076 8.9085 8.9085 9.0878 9.0878 9.4183 9.4183 10.3666 10.3666 k =-0.2814 0.7944 0.0384 ( 3847 PWs) bands (ev): -33.4665 -33.4665 -33.4648 -33.4648 -14.7377 -14.7377 -14.7298 -14.7298 -14.3755 -14.3755 -14.3675 -14.3675 -14.3436 -14.3436 -14.3285 -14.3285 2.7451 2.7451 2.7711 2.7711 2.8480 2.8480 2.8790 2.8790 3.2347 3.2347 3.4194 3.4194 3.7962 3.7962 3.9041 3.9041 3.9608 3.9608 3.9896 3.9896 5.0202 5.0202 6.3422 6.3422 6.5101 6.5101 8.8910 8.8910 9.0936 9.0936 9.4170 9.4170 10.3468 10.3468 k =-0.2814 0.7944 0.0576 ( 3847 PWs) bands (ev): -33.4665 -33.4665 -33.4648 -33.4648 -14.7377 -14.7377 -14.7299 -14.7299 -14.3757 -14.3757 -14.3673 -14.3673 -14.3436 -14.3436 -14.3285 -14.3285 2.7400 2.7400 2.7757 2.7757 2.8495 2.8495 2.8795 2.8795 3.2331 3.2331 3.4240 3.4240 3.7938 3.7938 3.8915 3.8915 3.9628 3.9628 4.0003 4.0003 5.0240 5.0240 6.3525 6.3525 6.5143 6.5143 8.8645 8.8645 9.1009 9.1009 9.4149 9.4149 10.3160 10.3160 k =-0.2814 0.7944 0.0768 ( 3845 PWs) bands (ev): -33.4665 -33.4665 -33.4648 -33.4648 -14.7377 -14.7377 -14.7299 -14.7299 -14.3759 -14.3759 -14.3671 -14.3671 -14.3437 -14.3437 -14.3286 -14.3286 2.7347 2.7347 2.7802 2.7802 2.8508 2.8508 2.8809 2.8809 3.2311 3.2311 3.4300 3.4300 3.7905 3.7905 3.8782 3.8782 3.9641 3.9641 4.0125 4.0125 5.0293 5.0293 6.3668 6.3668 6.5202 6.5202 8.8311 8.8311 9.1078 9.1078 9.4119 9.4119 10.2769 10.2769 k =-0.2814 0.7944 0.0960 ( 3843 PWs) bands (ev): -33.4665 -33.4665 -33.4648 -33.4648 -14.7377 -14.7377 -14.7300 -14.7300 -14.3762 -14.3762 -14.3669 -14.3669 -14.3438 -14.3438 -14.3286 -14.3286 2.7296 2.7296 2.7845 2.7845 2.8514 2.8514 2.8837 2.8837 3.2290 3.2290 3.4373 3.4373 3.7865 3.7865 3.8647 3.8647 3.9652 3.9652 4.0250 4.0250 5.0362 5.0362 6.3852 6.3852 6.5277 6.5277 8.7921 8.7921 9.1129 9.1129 9.4081 9.4081 10.2317 10.2317 k =-0.2814 0.7944 0.1152 ( 3842 PWs) bands (ev): -33.4665 -33.4665 -33.4648 -33.4648 -14.7377 -14.7377 -14.7301 -14.7301 -14.3765 -14.3765 -14.3666 -14.3666 -14.3439 -14.3439 -14.3286 -14.3286 2.7248 2.7248 2.7887 2.7887 2.8508 2.8508 2.8879 2.8879 3.2269 3.2269 3.4455 3.4455 3.7817 3.7817 3.8515 3.8515 3.9662 3.9662 4.0375 4.0375 5.0448 5.0448 6.4075 6.4075 6.5368 6.5368 8.7484 8.7484 9.1157 9.1157 9.4033 9.4033 10.1820 10.1820 k =-0.2814 0.7944 0.1344 ( 3838 PWs) bands (ev): -33.4664 -33.4664 -33.4648 -33.4648 -14.7377 -14.7377 -14.7302 -14.7302 -14.3769 -14.3769 -14.3663 -14.3663 -14.3440 -14.3440 -14.3287 -14.3287 2.7203 2.7203 2.7926 2.7926 2.8491 2.8491 2.8935 2.8935 3.2251 3.2251 3.4545 3.4545 3.7762 3.7762 3.8388 3.8388 3.9673 3.9673 4.0494 4.0494 5.0550 5.0550 6.4335 6.4335 6.5474 6.5474 8.7008 8.7008 9.1158 9.1158 9.3974 9.3974 10.1294 10.1294 k =-0.2814 0.7944 0.1536 ( 3844 PWs) bands (ev): -33.4664 -33.4664 -33.4648 -33.4648 -14.7377 -14.7377 -14.7303 -14.7303 -14.3773 -14.3773 -14.3661 -14.3661 -14.3442 -14.3442 -14.3287 -14.3287 2.7162 2.7162 2.7963 2.7963 2.8467 2.8467 2.9000 2.9000 3.2237 3.2237 3.4638 3.4638 3.7703 3.7703 3.8267 3.8267 3.9683 3.9683 4.0607 4.0607 5.0671 5.0671 6.4633 6.4633 6.5594 6.5594 8.6499 8.6499 9.1130 9.1130 9.3903 9.3903 10.0748 10.0748 k =-0.2814 0.7944 0.1728 ( 3846 PWs) bands (ev): -33.4664 -33.4664 -33.4648 -33.4648 -14.7377 -14.7377 -14.7305 -14.7305 -14.3777 -14.3777 -14.3658 -14.3658 -14.3443 -14.3443 -14.3288 -14.3288 2.7126 2.7126 2.7998 2.7998 2.8438 2.8438 2.9069 2.9069 3.2228 3.2228 3.4733 3.4733 3.7640 3.7640 3.8153 3.8153 3.9694 3.9694 4.0711 4.0711 5.0810 5.0810 6.4965 6.4965 6.5728 6.5728 8.5960 8.5960 9.1073 9.1073 9.3819 9.3819 10.0192 10.0192 k =-0.2814 0.7944 0.1920 ( 3842 PWs) bands (ev): -33.4664 -33.4664 -33.4648 -33.4648 -14.7377 -14.7377 -14.7306 -14.7306 -14.3781 -14.3781 -14.3655 -14.3655 -14.3445 -14.3445 -14.3288 -14.3288 2.7094 2.7094 2.8029 2.8029 2.8407 2.8407 2.9139 2.9139 3.2228 3.2228 3.4827 3.4827 3.7575 3.7575 3.8048 3.8048 3.9706 3.9706 4.0807 4.0807 5.0968 5.0968 6.5327 6.5327 6.5878 6.5878 8.5398 8.5398 9.0986 9.0986 9.3718 9.3718 9.9636 9.9636 k =-0.2814 0.7944 0.2112 ( 3841 PWs) bands (ev): -33.4663 -33.4663 -33.4648 -33.4648 -14.7377 -14.7377 -14.7308 -14.7308 -14.3785 -14.3785 -14.3652 -14.3652 -14.3446 -14.3446 -14.3289 -14.3289 2.7068 2.7068 2.8057 2.8057 2.8377 2.8377 2.9207 2.9207 3.2236 3.2236 3.4917 3.4917 3.7510 3.7510 3.7951 3.7951 3.9719 3.9719 4.0892 4.0892 5.1147 5.1147 6.5705 6.5705 6.6054 6.6054 8.4817 8.4817 9.0871 9.0871 9.3596 9.3596 9.9088 9.9088 k =-0.2814 0.7944 0.2304 ( 3846 PWs) bands (ev): -33.4663 -33.4663 -33.4648 -33.4648 -14.7376 -14.7376 -14.7310 -14.7310 -14.3789 -14.3789 -14.3650 -14.3650 -14.3448 -14.3448 -14.3290 -14.3290 2.7046 2.7046 2.8078 2.8078 2.8350 2.8350 2.9269 2.9269 3.2255 3.2255 3.5002 3.5002 3.7449 3.7449 3.7863 3.7863 3.9732 3.9732 4.0966 4.0966 5.1346 5.1346 6.6038 6.6038 6.6314 6.6314 8.4223 8.4223 9.0727 9.0727 9.3447 9.3447 9.8558 9.8558 k =-0.2814 0.7944 0.2496 ( 3846 PWs) bands (ev): -33.4663 -33.4663 -33.4648 -33.4648 -14.7376 -14.7376 -14.7312 -14.7312 -14.3792 -14.3792 -14.3648 -14.3648 -14.3450 -14.3450 -14.3290 -14.3290 2.7030 2.7030 2.8090 2.8090 2.8330 2.8330 2.9324 2.9324 3.2286 3.2286 3.5078 3.5078 3.7393 3.7393 3.7783 3.7783 3.9746 3.9746 4.1028 4.1028 5.1568 5.1568 6.6257 6.6257 6.6721 6.6721 8.3621 8.3621 9.0555 9.0555 9.3265 9.3265 9.8057 9.8057 k =-0.2814 0.7944 0.2688 ( 3846 PWs) bands (ev): -33.4662 -33.4662 -33.4648 -33.4648 -14.7376 -14.7376 -14.7314 -14.7314 -14.3796 -14.3796 -14.3646 -14.3646 -14.3452 -14.3452 -14.3291 -14.3291 2.7019 2.7019 2.8092 2.8092 2.8320 2.8320 2.9370 2.9370 3.2329 3.2329 3.5144 3.5144 3.7345 3.7345 3.7710 3.7710 3.9760 3.9760 4.1079 4.1079 5.1811 5.1811 6.6429 6.6429 6.7203 6.7203 8.3018 8.3018 9.0355 9.0355 9.3040 9.3040 9.7596 9.7596 k =-0.2814 0.7944 0.2880 ( 3849 PWs) bands (ev): -33.4662 -33.4662 -33.4649 -33.4649 -14.7376 -14.7376 -14.7316 -14.7316 -14.3800 -14.3800 -14.3644 -14.3644 -14.3454 -14.3454 -14.3291 -14.3291 2.7013 2.7013 2.8084 2.8084 2.8318 2.8318 2.9405 2.9405 3.2385 3.2385 3.5199 3.5199 3.7306 3.7306 3.7646 3.7646 3.9775 3.9775 4.1117 4.1117 5.2077 5.2077 6.6585 6.6585 6.7724 6.7724 8.2422 8.2422 9.0127 9.0127 9.2764 9.2764 9.7187 9.7187 k =-0.2814 0.7944 0.3072 ( 3849 PWs) bands (ev): -33.4661 -33.4661 -33.4649 -33.4649 -14.7376 -14.7376 -14.7318 -14.7318 -14.3803 -14.3803 -14.3643 -14.3643 -14.3456 -14.3456 -14.3292 -14.3292 2.7012 2.7012 2.8069 2.8069 2.8323 2.8323 2.9428 2.9428 3.2455 3.2455 3.5240 3.5240 3.7278 3.7278 3.7590 3.7590 3.9791 3.9791 4.1143 4.1143 5.2366 5.2366 6.6724 6.6724 6.8275 6.8275 8.1840 8.1840 8.9873 8.9873 9.2431 9.2431 9.6839 9.6839 k =-0.2814 0.7944 0.3265 ( 3845 PWs) bands (ev): -33.4661 -33.4661 -33.4649 -33.4649 -14.7375 -14.7375 -14.7320 -14.7320 -14.3806 -14.3806 -14.3642 -14.3642 -14.3457 -14.3457 -14.3293 -14.3293 2.7016 2.7016 2.8050 2.8050 2.8331 2.8331 2.9440 2.9440 3.2537 3.2537 3.5268 3.5268 3.7260 3.7260 3.7543 3.7543 3.9808 3.9808 4.1158 4.1158 5.2679 5.2679 6.6843 6.6843 6.8853 6.8853 8.1283 8.1283 8.9591 8.9591 9.2038 9.2038 9.6556 9.6556 k =-0.2814 0.7944 0.3457 ( 3843 PWs) bands (ev): -33.4661 -33.4661 -33.4649 -33.4649 -14.7375 -14.7375 -14.7322 -14.7322 -14.3809 -14.3809 -14.3641 -14.3641 -14.3459 -14.3459 -14.3293 -14.3293 2.7025 2.7025 2.8031 2.8031 2.8339 2.8339 2.9440 2.9440 3.2630 3.2630 3.5283 3.5283 3.7251 3.7251 3.7504 3.7504 3.9826 3.9826 4.1162 4.1162 5.3016 5.3016 6.6935 6.6935 6.9456 6.9456 8.0760 8.0760 8.9281 8.9281 9.1588 9.1588 9.6338 9.6338 k =-0.2814 0.7944 0.3649 ( 3851 PWs) bands (ev): -33.4660 -33.4660 -33.4649 -33.4649 -14.7375 -14.7375 -14.7325 -14.7325 -14.3812 -14.3812 -14.3640 -14.3640 -14.3461 -14.3461 -14.3294 -14.3294 2.7038 2.7038 2.8013 2.8013 2.8344 2.8344 2.9429 2.9429 3.2734 3.2734 3.5285 3.5285 3.7249 3.7249 3.7474 3.7474 3.9844 3.9844 4.1154 4.1154 5.3376 5.3376 6.6990 6.6990 7.0080 7.0080 8.0282 8.0282 8.8944 8.8944 9.1089 9.1089 9.6180 9.6180 k =-0.2814 0.7944 0.3841 ( 3849 PWs) bands (ev): -33.4660 -33.4660 -33.4649 -33.4649 -14.7374 -14.7374 -14.7327 -14.7327 -14.3815 -14.3815 -14.3640 -14.3640 -14.3462 -14.3462 -14.3294 -14.3294 2.7056 2.7056 2.7997 2.7997 2.8347 2.8347 2.9409 2.9409 3.2847 3.2847 3.5276 3.5276 3.7251 3.7251 3.7456 3.7456 3.9864 3.9864 4.1136 4.1136 5.3761 5.3761 6.6999 6.6999 7.0725 7.0725 7.9861 7.9861 8.8580 8.8580 9.0550 9.0550 9.6075 9.6075 k =-0.2814 0.7944 0.4033 ( 3849 PWs) bands (ev): -33.4659 -33.4659 -33.4649 -33.4649 -14.7373 -14.7373 -14.7330 -14.7330 -14.3817 -14.3817 -14.3640 -14.3640 -14.3464 -14.3464 -14.3295 -14.3295 2.7078 2.7078 2.7985 2.7985 2.8345 2.8345 2.9380 2.9380 3.2967 3.2967 3.5258 3.5258 3.7255 3.7255 3.7448 3.7448 3.9884 3.9884 4.1110 4.1110 5.4169 5.4169 6.6954 6.6954 7.1388 7.1388 7.9509 7.9509 8.8187 8.8187 8.9979 8.9979 9.6016 9.6016 k =-0.2814 0.7944 0.4225 ( 3845 PWs) bands (ev): -33.4659 -33.4659 -33.4650 -33.4650 -14.7373 -14.7373 -14.7332 -14.7332 -14.3819 -14.3819 -14.3640 -14.3640 -14.3465 -14.3465 -14.3295 -14.3295 2.7104 2.7104 2.7975 2.7975 2.8340 2.8340 2.9344 2.9344 3.3092 3.3092 3.5232 3.5232 3.7259 3.7259 3.7450 3.7450 3.9907 3.9907 4.1075 4.1075 5.4600 5.4600 6.6846 6.6846 7.2067 7.2067 7.9234 7.9234 8.7766 8.7766 8.9386 8.9386 9.5997 9.5997 k =-0.2814 0.7944 0.4417 ( 3843 PWs) bands (ev): -33.4658 -33.4658 -33.4650 -33.4650 -14.7372 -14.7372 -14.7335 -14.7335 -14.3821 -14.3821 -14.3640 -14.3640 -14.3466 -14.3466 -14.3295 -14.3295 2.7134 2.7134 2.7968 2.7968 2.8331 2.8331 2.9303 2.9303 3.3221 3.3221 3.5200 3.5200 3.7262 3.7262 3.7461 3.7461 3.9930 3.9930 4.1032 4.1032 5.5054 5.5054 6.6669 6.6669 7.2760 7.2760 7.9046 7.9046 8.7318 8.7318 8.8777 8.8777 9.6012 9.6012 k =-0.2814 0.7944 0.4609 ( 3842 PWs) bands (ev): -33.4658 -33.4658 -33.4650 -33.4650 -14.7371 -14.7371 -14.7337 -14.7337 -14.3822 -14.3822 -14.3640 -14.3640 -14.3468 -14.3468 -14.3295 -14.3295 2.7168 2.7168 2.7963 2.7963 2.8319 2.8319 2.9257 2.9257 3.3352 3.3352 3.5163 3.5163 3.7266 3.7266 3.7476 3.7476 3.9955 3.9955 4.0984 4.0984 5.5530 5.5530 6.6421 6.6421 7.3465 7.3465 7.8947 7.8947 8.6841 8.6841 8.8158 8.8158 9.6058 9.6058 k =-0.2814 0.7944 0.4801 ( 3843 PWs) bands (ev): -33.4657 -33.4657 -33.4650 -33.4650 -14.7371 -14.7371 -14.7339 -14.7339 -14.3824 -14.3824 -14.3641 -14.3641 -14.3469 -14.3469 -14.3296 -14.3296 2.7204 2.7204 2.7959 2.7959 2.8305 2.8305 2.9209 2.9209 3.3483 3.3483 3.5121 3.5121 3.7271 3.7271 3.7494 3.7494 3.9982 3.9982 4.0930 4.0930 5.6028 5.6028 6.6103 6.6103 7.4179 7.4179 7.8937 7.8937 8.6338 8.6338 8.7533 8.7533 9.6131 9.6131 k =-0.2814 0.7944 0.4993 ( 3841 PWs) bands (ev): -33.4657 -33.4657 -33.4651 -33.4651 -14.7370 -14.7370 -14.7341 -14.7341 -14.3825 -14.3825 -14.3641 -14.3641 -14.3470 -14.3470 -14.3296 -14.3296 2.7243 2.7243 2.7955 2.7955 2.8290 2.8290 2.9160 2.9160 3.3612 3.3612 3.5076 3.5076 3.7278 3.7278 3.7511 3.7511 4.0012 4.0012 4.0872 4.0872 5.6546 5.6546 6.5719 6.5719 7.4900 7.4900 7.9015 7.9015 8.5809 8.5809 8.6906 8.6906 9.6229 9.6229 k =-0.2814 0.7944 0.5185 ( 3851 PWs) bands (ev): -33.4656 -33.4656 -33.4651 -33.4651 -14.7369 -14.7369 -14.7344 -14.7344 -14.3826 -14.3826 -14.3642 -14.3642 -14.3471 -14.3471 -14.3296 -14.3296 2.7284 2.7284 2.7947 2.7947 2.8277 2.8277 2.9110 2.9110 3.3738 3.3738 3.5027 3.5027 3.7286 3.7286 3.7526 3.7526 4.0043 4.0043 4.0811 4.0811 5.7084 5.7084 6.5276 6.5276 7.5626 7.5626 7.9173 7.9173 8.5258 8.5258 8.6280 8.6280 9.6352 9.6352 k =-0.2814 0.7944 0.5377 ( 3855 PWs) bands (ev): -33.4656 -33.4656 -33.4651 -33.4651 -14.7368 -14.7368 -14.7346 -14.7346 -14.3827 -14.3827 -14.3643 -14.3643 -14.3472 -14.3472 -14.3297 -14.3297 2.7327 2.7327 2.7936 2.7936 2.8267 2.8267 2.9061 2.9061 3.3860 3.3860 3.4975 3.4975 3.7297 3.7297 3.7539 3.7539 4.0077 4.0077 4.0748 4.0748 5.7640 5.7640 6.4784 6.4784 7.6354 7.6354 7.9403 7.9403 8.4686 8.4686 8.5656 8.5656 9.6497 9.6497 k =-0.2814 0.7944 0.5569 ( 3853 PWs) bands (ev): -33.4656 -33.4656 -33.4652 -33.4652 -14.7367 -14.7367 -14.7348 -14.7348 -14.3828 -14.3828 -14.3643 -14.3643 -14.3472 -14.3472 -14.3297 -14.3297 2.7371 2.7371 2.7919 2.7919 2.8262 2.8262 2.9016 2.9016 3.3976 3.3976 3.4921 3.4921 3.7309 3.7309 3.7548 3.7548 4.0114 4.0114 4.0686 4.0686 5.8212 5.8212 6.4250 6.4250 7.7079 7.7079 7.9696 7.9696 8.4098 8.4098 8.5039 8.5039 9.6665 9.6665 k =-0.2814 0.7944 0.5761 ( 3849 PWs) bands (ev): -33.4655 -33.4655 -33.4652 -33.4652 -14.7366 -14.7366 -14.7350 -14.7350 -14.3828 -14.3828 -14.3644 -14.3644 -14.3473 -14.3473 -14.3297 -14.3297 2.7415 2.7415 2.7896 2.7896 2.8262 2.8262 2.8975 2.8975 3.4085 3.4085 3.4865 3.4865 3.7322 3.7322 3.7554 3.7554 4.0152 4.0152 4.0624 4.0624 5.8800 5.8800 6.3684 6.3684 7.7798 7.7798 8.0039 8.0039 8.3499 8.3499 8.4430 8.4430 9.6854 9.6854 k =-0.2814 0.7944 0.5953 ( 3853 PWs) bands (ev): -33.4655 -33.4655 -33.4652 -33.4652 -14.7365 -14.7365 -14.7352 -14.7352 -14.3829 -14.3829 -14.3644 -14.3644 -14.3473 -14.3473 -14.3297 -14.3297 2.7456 2.7456 2.7870 2.7870 2.8266 2.8266 2.8940 2.8940 3.4184 3.4184 3.4807 3.4807 3.7333 3.7333 3.7558 3.7558 4.0193 4.0193 4.0564 4.0564 5.9400 5.9400 6.3094 6.3094 7.8504 7.8504 8.0418 8.0418 8.2900 8.2900 8.3837 8.3837 9.7062 9.7062 k =-0.2814 0.7944 0.6145 ( 3855 PWs) bands (ev): -33.4654 -33.4654 -33.4653 -33.4653 -14.7364 -14.7364 -14.7353 -14.7353 -14.3829 -14.3829 -14.3645 -14.3645 -14.3474 -14.3474 -14.3297 -14.3297 2.7491 2.7491 2.7844 2.7844 2.8271 2.8271 2.8914 2.8914 3.4270 3.4270 3.4752 3.4752 3.7343 3.7343 3.7559 3.7559 4.0233 4.0233 4.0509 4.0509 6.0010 6.0010 6.2488 6.2488 7.9185 7.9185 8.0796 8.0796 8.2337 8.2337 8.3270 8.3270 9.7288 9.7288 k =-0.2814 0.7944 0.6337 ( 3850 PWs) bands (ev): -33.4654 -33.4654 -33.4653 -33.4653 -14.7363 -14.7363 -14.7354 -14.7354 -14.3829 -14.3829 -14.3645 -14.3645 -14.3474 -14.3474 -14.3297 -14.3297 2.7517 2.7517 2.7823 2.7823 2.8275 2.8275 2.8897 2.8897 3.4334 3.4334 3.4707 3.4707 3.7349 3.7349 3.7559 3.7559 4.0269 4.0269 4.0465 4.0465 6.0627 6.0627 6.1871 6.1871 7.9801 7.9801 8.1025 8.1025 8.1959 8.1959 8.2759 8.2759 9.7522 9.7522 k =-0.2814 0.7944 0.6529 ( 3850 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7362 -14.7362 -14.7355 -14.7355 -14.3829 -14.3829 -14.3645 -14.3645 -14.3474 -14.3474 -14.3297 -14.3297 2.7527 2.7527 2.7816 2.7816 2.8276 2.8276 2.8891 2.8891 3.4359 3.4359 3.4688 3.4688 3.7352 3.7352 3.7559 3.7559 4.0285 4.0285 4.0446 4.0446 6.1227 6.1227 6.1272 6.1272 8.0139 8.0139 8.0956 8.0956 8.1965 8.1965 8.2471 8.2471 9.7675 9.7675 k =-0.2814 0.7944 0.6529 ( 3850 PWs) bands (ev): -33.4653 -33.4653 -33.4653 -33.4653 -14.7362 -14.7362 -14.7355 -14.7355 -14.3829 -14.3829 -14.3645 -14.3645 -14.3474 -14.3474 -14.3297 -14.3297 2.7527 2.7527 2.7816 2.7816 2.8276 2.8276 2.8891 2.8891 3.4359 3.4359 3.4688 3.4688 3.7352 3.7352 3.7559 3.7559 4.0285 4.0285 4.0446 4.0446 6.1227 6.1227 6.1272 6.1272 8.0139 8.0139 8.0956 8.0956 8.1965 8.1965 8.2471 8.2471 9.7675 9.7675 k =-0.2878 0.7762 0.6529 ( 3850 PWs) bands (ev): -33.4654 -33.4654 -33.4654 -33.4654 -14.7361 -14.7361 -14.7353 -14.7353 -14.3832 -14.3832 -14.3640 -14.3640 -14.3473 -14.3473 -14.3290 -14.3290 2.7538 2.7538 2.7819 2.7819 2.8287 2.8287 2.8907 2.8907 3.4350 3.4350 3.4693 3.4693 3.7353 3.7353 3.7563 3.7563 4.0223 4.0223 4.0378 4.0378 6.1115 6.1115 6.1174 6.1174 7.9931 7.9931 8.0663 8.0663 8.1982 8.1982 8.2396 8.2396 9.8124 9.8136 k =-0.2942 0.7581 0.6529 ( 3846 PWs) bands (ev): -33.4654 -33.4654 -33.4654 -33.4654 -14.7359 -14.7359 -14.7350 -14.7350 -14.3833 -14.3833 -14.3635 -14.3635 -14.3472 -14.3472 -14.3283 -14.3283 2.7550 2.7550 2.7823 2.7823 2.8302 2.8302 2.8926 2.8926 3.4339 3.4339 3.4698 3.4698 3.7356 3.7356 3.7566 3.7566 4.0152 4.0152 4.0299 4.0299 6.0949 6.0949 6.1021 6.1021 7.9491 7.9491 8.0025 8.0025 8.2421 8.2421 8.2630 8.2630 9.8587 9.8607 k =-0.3007 0.7399 0.6529 ( 3842 PWs) bands (ev): -33.4655 -33.4655 -33.4655 -33.4655 -14.7357 -14.7357 -14.7348 -14.7348 -14.3834 -14.3834 -14.3630 -14.3630 -14.3470 -14.3470 -14.3277 -14.3277 2.7563 2.7563 2.7826 2.7826 2.8323 2.8323 2.8948 2.8948 3.4325 3.4325 3.4701 3.4701 3.7362 3.7362 3.7568 3.7568 4.0072 4.0072 4.0212 4.0212 6.0737 6.0737 6.0821 6.0821 7.8909 7.8909 7.9313 7.9313 8.3005 8.3005 8.3077 8.3077 9.9071 9.9071 k =-0.3071 0.7218 0.6529 ( 3834 PWs) bands (ev): -33.4656 -33.4656 -33.4656 -33.4656 -14.7354 -14.7354 -14.7344 -14.7344 -14.3834 -14.3834 -14.3626 -14.3626 -14.3467 -14.3467 -14.3270 -14.3270 2.7578 2.7578 2.7830 2.7830 2.8347 2.8347 2.8974 2.8974 3.4308 3.4308 3.4705 3.4705 3.7369 3.7369 3.7569 3.7569 3.9985 3.9985 4.0118 4.0118 6.0487 6.0487 6.0582 6.0582 7.8260 7.8260 7.8582 7.8582 8.3657 8.3657 8.3673 8.3673 9.9574 9.9598 k =-0.3135 0.7036 0.6529 ( 3830 PWs) bands (ev): -33.4656 -33.4656 -33.4656 -33.4656 -14.7351 -14.7351 -14.7341 -14.7341 -14.3833 -14.3833 -14.3621 -14.3621 -14.3464 -14.3464 -14.3263 -14.3263 2.7592 2.7592 2.7833 2.7833 2.8377 2.8377 2.9004 2.9004 3.4289 3.4289 3.4707 3.4707 3.7378 3.7378 3.7569 3.7569 3.9892 3.9892 4.0016 4.0016 6.0208 6.0208 6.0312 6.0312 7.7580 7.7580 7.7847 7.7847 8.4326 8.4326 8.4402 8.4402 10.0093 10.0093 k =-0.3199 0.6854 0.6529 ( 3834 PWs) bands (ev): -33.4657 -33.4657 -33.4657 -33.4657 -14.7348 -14.7348 -14.7338 -14.7338 -14.3832 -14.3832 -14.3618 -14.3618 -14.3459 -14.3459 -14.3256 -14.3256 2.7607 2.7607 2.7836 2.7836 2.8409 2.8409 2.9036 2.9036 3.4267 3.4267 3.4708 3.4708 3.7388 3.7388 3.7566 3.7566 3.9794 3.9794 3.9909 3.9909 5.9904 5.9904 6.0017 6.0017 7.6889 7.6889 7.7117 7.7117 8.5059 8.5059 8.5180 8.5180 10.0628 10.0628 k =-0.3264 0.6673 0.6529 ( 3830 PWs) bands (ev): -33.4658 -33.4658 -33.4658 -33.4658 -14.7345 -14.7345 -14.7334 -14.7334 -14.3830 -14.3830 -14.3614 -14.3614 -14.3453 -14.3453 -14.3248 -14.3248 2.7622 2.7622 2.7839 2.7839 2.8446 2.8446 2.9072 2.9072 3.4243 3.4243 3.4707 3.4707 3.7399 3.7399 3.7561 3.7561 3.9694 3.9694 3.9798 3.9798 5.9583 5.9583 5.9704 5.9704 7.6196 7.6196 7.6395 7.6395 8.5841 8.5841 8.5997 8.5997 10.1178 10.1178 k =-0.3328 0.6491 0.6529 ( 3830 PWs) bands (ev): -33.4659 -33.4659 -33.4659 -33.4659 -14.7341 -14.7341 -14.7330 -14.7330 -14.3827 -14.3827 -14.3612 -14.3612 -14.3446 -14.3446 -14.3241 -14.3241 2.7637 2.7637 2.7842 2.7842 2.8487 2.8487 2.9111 2.9111 3.4216 3.4216 3.4706 3.4706 3.7410 3.7410 3.7553 3.7553 3.9591 3.9591 3.9684 3.9684 5.9250 5.9250 5.9378 5.9378 7.5510 7.5510 7.5686 7.5686 8.6659 8.6659 8.6844 8.6844 10.1742 10.1771 k =-0.3392 0.6310 0.6529 ( 3834 PWs) bands (ev): -33.4660 -33.4660 -33.4660 -33.4660 -14.7337 -14.7337 -14.7326 -14.7326 -14.3825 -14.3825 -14.3610 -14.3610 -14.3437 -14.3437 -14.3234 -14.3234 2.7652 2.7652 2.7844 2.7844 2.8530 2.8530 2.9152 2.9152 3.4186 3.4186 3.4702 3.4702 3.7420 3.7420 3.7540 3.7540 3.9490 3.9490 3.9568 3.9568 5.8909 5.8909 5.9042 5.9042 7.4835 7.4835 7.4992 7.4992 8.7504 8.7504 8.7713 8.7713 10.2316 10.2316 k =-0.3457 0.6128 0.6529 ( 3830 PWs) bands (ev): -33.4661 -33.4661 -33.4661 -33.4661 -14.7333 -14.7333 -14.7322 -14.7322 -14.3821 -14.3821 -14.3609 -14.3609 -14.3428 -14.3428 -14.3227 -14.3227 2.7667 2.7667 2.7846 2.7846 2.8577 2.8577 2.9196 2.9196 3.4154 3.4154 3.4698 3.4698 3.7429 3.7429 3.7522 3.7522 3.9390 3.9390 3.9454 3.9454 5.8563 5.8563 5.8702 5.8702 7.4174 7.4174 7.4316 7.4316 8.8368 8.8368 8.8599 8.8599 10.2902 10.2902 k =-0.3521 0.5947 0.6529 ( 3834 PWs) bands (ev): -33.4662 -33.4662 -33.4662 -33.4662 -14.7329 -14.7329 -14.7318 -14.7318 -14.3818 -14.3818 -14.3608 -14.3608 -14.3417 -14.3417 -14.3220 -14.3220 2.7681 2.7681 2.7848 2.7848 2.8626 2.8626 2.9242 2.9242 3.4119 3.4119 3.4690 3.4690 3.7436 3.7436 3.7499 3.7499 3.9295 3.9295 3.9341 3.9341 5.8215 5.8215 5.8358 5.8358 7.3531 7.3531 7.3660 7.3660 8.9245 8.9245 8.9494 8.9494 10.3506 10.3588 k =-0.3585 0.5765 0.6529 ( 3828 PWs) bands (ev): -33.4663 -33.4663 -33.4663 -33.4663 -14.7325 -14.7325 -14.7314 -14.7314 -14.3813 -14.3813 -14.3608 -14.3608 -14.3406 -14.3406 -14.3213 -14.3213 2.7694 2.7694 2.7849 2.7849 2.8677 2.8677 2.9290 2.9290 3.4083 3.4083 3.4681 3.4681 3.7441 3.7441 3.7469 3.7469 3.9207 3.9207 3.9232 3.9232 5.7867 5.7867 5.8015 5.8015 7.2909 7.2909 7.3027 7.3027 9.0129 9.0129 9.0394 9.0394 10.4101 10.4191 k =-0.3650 0.5584 0.6529 ( 3832 PWs) bands (ev): -33.4664 -33.4664 -33.4664 -33.4664 -14.7321 -14.7321 -14.7309 -14.7309 -14.3809 -14.3809 -14.3609 -14.3609 -14.3394 -14.3394 -14.3206 -14.3206 2.7707 2.7707 2.7851 2.7851 2.8730 2.8730 2.9339 2.9339 3.4045 3.4045 3.4669 3.4669 3.7433 3.7433 3.7442 3.7442 3.9126 3.9126 3.9129 3.9129 5.7522 5.7522 5.7673 5.7673 7.2310 7.2310 7.2418 7.2418 9.1013 9.1013 9.1294 9.1294 10.4708 10.4709 k =-0.3714 0.5402 0.6529 ( 3836 PWs) bands (ev): -33.4665 -33.4665 -33.4665 -33.4665 -14.7317 -14.7317 -14.7305 -14.7305 -14.3804 -14.3804 -14.3610 -14.3610 -14.3381 -14.3381 -14.3199 -14.3199 2.7719 2.7719 2.7852 2.7852 2.8784 2.8784 2.9388 2.9388 3.4007 3.4007 3.4654 3.4654 3.7391 3.7391 3.7438 3.7438 3.9034 3.9034 3.9054 3.9054 5.7182 5.7182 5.7335 5.7335 7.1735 7.1735 7.1835 7.1835 9.1895 9.1895 9.2188 9.2188 10.5319 10.5319 k =-0.3778 0.5220 0.6529 ( 3838 PWs) bands (ev): -33.4666 -33.4666 -33.4666 -33.4666 -14.7313 -14.7313 -14.7301 -14.7301 -14.3799 -14.3799 -14.3612 -14.3612 -14.3368 -14.3368 -14.3193 -14.3193 2.7730 2.7730 2.7853 2.7853 2.8839 2.8839 2.9437 2.9437 3.3967 3.3967 3.4637 3.4637 3.7343 3.7343 3.7429 3.7429 3.8949 3.8949 3.8992 3.8992 5.6847 5.6847 5.7002 5.7002 7.1186 7.1186 7.1279 7.1279 9.2770 9.2770 9.3074 9.3074 10.5930 10.5930 k =-0.3843 0.5039 0.6529 ( 3830 PWs) bands (ev): -33.4668 -33.4668 -33.4668 -33.4668 -14.7309 -14.7309 -14.7297 -14.7297 -14.3793 -14.3793 -14.3614 -14.3614 -14.3354 -14.3354 -14.3186 -14.3186 2.7740 2.7740 2.7853 2.7853 2.8893 2.8893 2.9485 2.9485 3.3929 3.3929 3.4617 3.4617 3.7290 3.7290 3.7414 3.7414 3.8875 3.8875 3.8940 3.8940 5.6518 5.6518 5.6675 5.6675 7.0664 7.0664 7.0751 7.0751 9.3634 9.3634 9.3947 9.3947 10.6538 10.6540 k =-0.3907 0.4857 0.6529 ( 3826 PWs) bands (ev): -33.4669 -33.4669 -33.4669 -33.4669 -14.7305 -14.7305 -14.7293 -14.7293 -14.3788 -14.3788 -14.3616 -14.3616 -14.3339 -14.3339 -14.3179 -14.3179 2.7750 2.7750 2.7854 2.7854 2.8948 2.8948 2.9531 2.9531 3.3891 3.3891 3.4593 3.4593 3.7235 3.7235 3.7392 3.7392 3.8812 3.8812 3.8898 3.8898 5.6198 5.6198 5.6354 5.6354 7.0171 7.0171 7.0252 7.0252 9.4484 9.4484 9.4805 9.4805 10.7141 10.7184 k =-0.3971 0.4676 0.6529 ( 3822 PWs) bands (ev): -33.4670 -33.4670 -33.4670 -33.4670 -14.7300 -14.7300 -14.7290 -14.7290 -14.3782 -14.3782 -14.3619 -14.3619 -14.3325 -14.3325 -14.3173 -14.3173 2.7759 2.7759 2.7854 2.7854 2.9003 2.9003 2.9575 2.9575 3.3855 3.3855 3.4566 3.4566 3.7177 3.7177 3.7364 3.7364 3.8762 3.8762 3.8864 3.8864 5.5887 5.5887 5.6042 5.6042 6.9708 6.9708 6.9783 6.9783 9.5317 9.5317 9.5644 9.5644 10.7722 10.7724 k =-0.4035 0.4494 0.6529 ( 3830 PWs) bands (ev): -33.4671 -33.4671 -33.4671 -33.4671 -14.7297 -14.7297 -14.7286 -14.7286 -14.3776 -14.3776 -14.3622 -14.3622 -14.3311 -14.3311 -14.3167 -14.3167 2.7767 2.7767 2.7854 2.7854 2.9056 2.9056 2.9614 2.9614 3.3822 3.3822 3.4536 3.4536 3.7119 3.7119 3.7329 3.7329 3.8723 3.8723 3.8837 3.8837 5.5586 5.5586 5.5739 5.5739 6.9274 6.9274 6.9344 6.9344 9.6131 9.6131 9.6463 9.6463 10.8279 10.8293 k =-0.4100 0.4313 0.6529 ( 3826 PWs) bands (ev): -33.4672 -33.4672 -33.4672 -33.4672 -14.7293 -14.7293 -14.7283 -14.7283 -14.3770 -14.3770 -14.3625 -14.3625 -14.3296 -14.3296 -14.3162 -14.3162 2.7775 2.7775 2.7854 2.7854 2.9108 2.9108 2.9650 2.9650 3.3792 3.3792 3.4502 3.4502 3.7063 3.7063 3.7290 3.7290 3.8695 3.8695 3.8818 3.8818 5.5296 5.5296 5.5446 5.5446 6.8870 6.8870 6.8935 6.8935 9.6923 9.6923 9.7258 9.7258 10.8801 10.8892 k =-0.4164 0.4131 0.6529 ( 3822 PWs) bands (ev): -33.4673 -33.4673 -33.4673 -33.4673 -14.7289 -14.7289 -14.7280 -14.7280 -14.3764 -14.3764 -14.3628 -14.3628 -14.3282 -14.3282 -14.3157 -14.3157 2.7782 2.7782 2.7854 2.7854 2.9158 2.9158 2.9682 2.9682 3.3767 3.3767 3.4467 3.4467 3.7009 3.7009 3.7246 3.7246 3.8677 3.8677 3.8804 3.8804 5.5019 5.5019 5.5165 5.5165 6.8496 6.8496 6.8557 6.8557 9.7692 9.7692 9.8028 9.8028 10.9236 10.9276 k =-0.4228 0.3950 0.6529 ( 3842 PWs) bands (ev): -33.4674 -33.4674 -33.4674 -33.4674 -14.7287 -14.7287 -14.7278 -14.7278 -14.3758 -14.3758 -14.3632 -14.3632 -14.3269 -14.3269 -14.3153 -14.3153 2.7788 2.7788 2.7853 2.7853 2.9206 2.9206 2.9707 2.9707 3.3746 3.3746 3.4428 3.4428 3.6959 3.6959 3.7200 3.7200 3.8666 3.8666 3.8794 3.8794 5.4756 5.4756 5.4896 5.4896 6.8153 6.8153 6.8209 6.8209 9.8437 9.8437 9.8772 9.8772 10.9580 10.9696 k =-0.4293 0.3768 0.6529 ( 3846 PWs) bands (ev): -33.4675 -33.4675 -33.4675 -33.4675 -14.7283 -14.7283 -14.7275 -14.7275 -14.3752 -14.3752 -14.3636 -14.3636 -14.3255 -14.3255 -14.3149 -14.3149 2.7794 2.7794 2.7852 2.7852 2.9253 2.9253 2.9728 2.9728 3.3730 3.3730 3.4388 3.4388 3.6915 3.6915 3.7154 3.7154 3.8662 3.8662 3.8787 3.8787 5.4508 5.4508 5.4642 5.4642 6.7840 6.7840 6.7892 6.7892 9.9155 9.9155 9.9489 9.9489 10.9714 10.9731 k =-0.4357 0.3586 0.6529 ( 3850 PWs) bands (ev): -33.4676 -33.4676 -33.4676 -33.4676 -14.7281 -14.7281 -14.7273 -14.7273 -14.3746 -14.3746 -14.3640 -14.3640 -14.3242 -14.3242 -14.3145 -14.3145 2.7799 2.7799 2.7851 2.7851 2.9297 2.9297 2.9742 2.9742 3.3721 3.3721 3.4346 3.4346 3.6876 3.6876 3.7107 3.7107 3.8664 3.8664 3.8783 3.8783 5.4276 5.4276 5.4402 5.4402 6.7557 6.7557 6.7604 6.7604 9.9847 9.9847 10.0177 10.0177 10.9694 10.9695 k =-0.4421 0.3405 0.6529 ( 3842 PWs) bands (ev): -33.4676 -33.4676 -33.4676 -33.4676 -14.7278 -14.7278 -14.7270 -14.7270 -14.3740 -14.3740 -14.3644 -14.3644 -14.3229 -14.3229 -14.3142 -14.3142 2.7804 2.7804 2.7850 2.7850 2.9339 2.9339 2.9752 2.9752 3.3718 3.3718 3.4303 3.4303 3.6843 3.6843 3.7062 3.7062 3.8670 3.8670 3.8782 3.8782 5.4062 5.4062 5.4179 5.4179 6.7303 6.7303 6.7346 6.7346 10.0511 10.0511 10.0836 10.0836 10.9532 10.9547 k =-0.4486 0.3223 0.6529 ( 3850 PWs) bands (ev): -33.4677 -33.4677 -33.4677 -33.4677 -14.7275 -14.7275 -14.7269 -14.7269 -14.3734 -14.3734 -14.3649 -14.3649 -14.3218 -14.3218 -14.3140 -14.3140 2.7809 2.7809 2.7849 2.7849 2.9379 2.9379 2.9755 2.9755 3.3721 3.3721 3.4259 3.4259 3.6815 3.6815 3.7018 3.7018 3.8678 3.8678 3.8781 3.8781 5.3867 5.3867 5.3975 5.3975 6.7078 6.7078 6.7116 6.7116 10.1146 10.1146 10.1465 10.1465 10.9276 10.9277 k =-0.4550 0.3042 0.6529 ( 3846 PWs) bands (ev): -33.4678 -33.4678 -33.4678 -33.4678 -14.7273 -14.7273 -14.7267 -14.7267 -14.3728 -14.3728 -14.3653 -14.3653 -14.3206 -14.3206 -14.3138 -14.3138 2.7813 2.7813 2.7848 2.7848 2.9417 2.9417 2.9753 2.9753 3.3731 3.3731 3.4215 3.4215 3.6793 3.6793 3.6977 3.6977 3.8689 3.8689 3.8780 3.8780 5.3692 5.3692 5.3789 5.3789 6.6881 6.6881 6.6915 6.6915 10.1753 10.1753 10.2062 10.2062 10.8966 10.8969 k =-0.4614 0.2860 0.6529 ( 3850 PWs) bands (ev): -33.4678 -33.4678 -33.4678 -33.4678 -14.7271 -14.7271 -14.7266 -14.7266 -14.3722 -14.3722 -14.3658 -14.3658 -14.3196 -14.3196 -14.3137 -14.3137 2.7817 2.7817 2.7846 2.7846 2.9453 2.9453 2.9747 2.9747 3.3745 3.3745 3.4171 3.4171 3.6776 3.6776 3.6939 3.6939 3.8700 3.8700 3.8780 3.8780 5.3539 5.3539 5.3624 5.3624 6.6712 6.6712 6.6741 6.6741 10.2328 10.2328 10.2627 10.2627 10.8627 10.8628 k =-0.4678 0.2679 0.6529 ( 3856 PWs) bands (ev): -33.4679 -33.4679 -33.4679 -33.4679 -14.7269 -14.7269 -14.7265 -14.7265 -14.3716 -14.3716 -14.3663 -14.3663 -14.3186 -14.3186 -14.3137 -14.3137 2.7820 2.7820 2.7844 2.7844 2.9487 2.9487 2.9736 2.9736 3.3765 3.3765 3.4127 3.4127 3.6765 3.6765 3.6904 3.6904 3.8712 3.8712 3.8779 3.8779 5.3409 5.3409 5.3481 5.3481 6.6570 6.6570 6.6595 6.6595 10.2870 10.2870 10.3155 10.3155 10.8276 10.8277 k =-0.4743 0.2497 0.6529 ( 3848 PWs) bands (ev): -33.4679 -33.4679 -33.4679 -33.4679 -14.7267 -14.7267 -14.7264 -14.7264 -14.3710 -14.3710 -14.3667 -14.3667 -14.3177 -14.3177 -14.3138 -14.3138 2.7823 2.7823 2.7843 2.7843 2.9520 2.9520 2.9721 2.9721 3.3789 3.3789 3.4084 3.4084 3.6760 3.6760 3.6872 3.6872 3.8724 3.8724 3.8778 3.8778 5.3302 5.3302 5.3361 5.3361 6.6456 6.6456 6.6475 6.6475 10.3376 10.3376 10.3640 10.3640 10.7928 10.7928 k =-0.4807 0.2316 0.6529 ( 3844 PWs) bands (ev): -33.4679 -33.4679 -33.4679 -33.4679 -14.7266 -14.7266 -14.7263 -14.7263 -14.3704 -14.3704 -14.3672 -14.3672 -14.3169 -14.3169 -14.3140 -14.3140 2.7827 2.7827 2.7841 2.7841 2.9551 2.9551 2.9704 2.9704 3.3817 3.3817 3.4042 3.4042 3.6759 3.6759 3.6844 3.6844 3.8735 3.8735 3.8776 3.8776 5.3220 5.3220 5.3265 5.3265 6.6368 6.6368 6.6382 6.6382 10.3836 10.3836 10.4070 10.4070 10.7600 10.7603 k =-0.4871 0.2134 0.6529 ( 3832 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7265 -14.7265 -14.7263 -14.7263 -14.3698 -14.3698 -14.3677 -14.3677 -14.3161 -14.3161 -14.3142 -14.3142 2.7830 2.7830 2.7839 2.7839 2.9581 2.9581 2.9683 2.9683 3.3850 3.3850 3.4000 3.4000 3.6763 3.6763 3.6820 3.6820 3.8745 3.8745 3.8773 3.8773 5.3163 5.3163 5.3193 5.3193 6.6306 6.6306 6.6315 6.6315 10.4233 10.4233 10.4419 10.4419 10.7319 10.7320 k =-0.4936 0.1953 0.6529 ( 3832 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7264 -14.7264 -14.7263 -14.7263 -14.3693 -14.3693 -14.3682 -14.3682 -14.3155 -14.3155 -14.3145 -14.3145 2.7832 2.7832 2.7837 2.7837 2.9610 2.9610 2.9661 2.9661 3.3884 3.3884 3.3960 3.3960 3.6771 3.6771 3.6800 3.6800 3.8754 3.8754 3.8768 3.8768 5.3132 5.3132 5.3147 5.3147 6.6269 6.6269 6.6274 6.6274 10.4534 10.4534 10.4643 10.4643 10.7132 10.7133 k =-0.5000 0.1771 0.6529 ( 3840 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7263 -14.7263 -14.7263 -14.7263 -14.3688 -14.3688 -14.3688 -14.3688 -14.3150 -14.3150 -14.3150 -14.3150 2.7834 2.7834 2.7834 2.7834 2.9636 2.9636 2.9636 2.9636 3.3921 3.3921 3.3921 3.3921 3.6783 3.6783 3.6783 3.6783 3.8761 3.8761 3.8761 3.8761 5.3127 5.3127 5.3127 5.3127 6.6259 6.6259 6.6259 6.6259 10.4686 10.4686 10.4686 10.4686 10.7095 10.7095 k =-0.5000 0.1771 0.6529 ( 3840 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7263 -14.7263 -14.7263 -14.7263 -14.3688 -14.3688 -14.3688 -14.3688 -14.3150 -14.3150 -14.3150 -14.3150 2.7834 2.7834 2.7834 2.7834 2.9636 2.9636 2.9636 2.9636 3.3921 3.3921 3.3921 3.3921 3.6783 3.6783 3.6783 3.6783 3.8761 3.8761 3.8761 3.8761 5.3127 5.3127 5.3127 5.3127 6.6259 6.6259 6.6259 6.6259 10.4686 10.4686 10.4686 10.4686 10.7095 10.7095 k =-0.5000 0.1771 0.6337 ( 3822 PWs) bands (ev): -33.4681 -33.4681 -33.4679 -33.4679 -14.7267 -14.7267 -14.7259 -14.7259 -14.3688 -14.3688 -14.3686 -14.3686 -14.3153 -14.3153 -14.3146 -14.3146 2.7729 2.7729 2.7939 2.7939 2.9630 2.9630 2.9642 2.9642 3.3897 3.3897 3.3945 3.3945 3.6647 3.6647 3.6916 3.6916 3.8681 3.8681 3.8848 3.8848 5.2076 5.2076 5.4207 5.4207 6.5238 6.5238 6.7292 6.7292 10.4341 10.4341 10.5028 10.5028 10.6983 10.6983 k =-0.5000 0.1771 0.6145 ( 3818 PWs) bands (ev): -33.4682 -33.4682 -33.4678 -33.4678 -14.7270 -14.7270 -14.7254 -14.7254 -14.3688 -14.3688 -14.3684 -14.3684 -14.3156 -14.3156 -14.3143 -14.3143 2.7620 2.7620 2.8037 2.8037 2.9624 2.9624 2.9648 2.9648 3.3872 3.3872 3.3968 3.3968 3.6510 3.6510 3.7041 3.7041 3.8606 3.8606 3.8937 3.8937 5.1057 5.1057 5.5316 5.5316 6.4231 6.4231 6.8335 6.8335 10.3995 10.3995 10.5369 10.5369 10.6896 10.6896 k =-0.5000 0.1771 0.5953 ( 3822 PWs) bands (ev): -33.4683 -33.4683 -33.4677 -33.4677 -14.7274 -14.7274 -14.7249 -14.7249 -14.3688 -14.3688 -14.3681 -14.3681 -14.3160 -14.3160 -14.3141 -14.3141 2.7511 2.7511 2.8129 2.8129 2.9616 2.9616 2.9653 2.9653 3.3848 3.3848 3.3987 3.3987 3.6374 3.6374 3.7155 3.7155 3.8539 3.8539 3.9029 3.9029 5.0071 5.0071 5.6451 5.6451 6.3241 6.3241 6.9386 6.9386 10.3647 10.3647 10.5708 10.5708 10.6834 10.6834 k =-0.5000 0.1771 0.5761 ( 3826 PWs) bands (ev): -33.4684 -33.4684 -33.4676 -33.4676 -14.7276 -14.7276 -14.7244 -14.7244 -14.3688 -14.3688 -14.3679 -14.3679 -14.3165 -14.3165 -14.3139 -14.3139 2.7403 2.7403 2.8212 2.8212 2.9609 2.9609 2.9657 2.9657 3.3824 3.3824 3.4003 3.4003 3.6242 3.6242 3.7253 3.7253 3.8483 3.8483 3.9124 3.9124 4.9119 4.9119 5.7607 5.7607 6.2273 6.2273 7.0443 7.0443 10.3298 10.3298 10.6042 10.6042 10.6799 10.6799 k =-0.5000 0.1771 0.5569 ( 3824 PWs) bands (ev): -33.4685 -33.4685 -33.4675 -33.4675 -14.7279 -14.7279 -14.7239 -14.7239 -14.3686 -14.3686 -14.3675 -14.3675 -14.3169 -14.3169 -14.3137 -14.3137 2.7297 2.7297 2.8285 2.8285 2.9601 2.9601 2.9662 2.9662 3.3802 3.3802 3.4013 3.4013 3.6117 3.6117 3.7332 3.7332 3.8442 3.8442 3.9222 3.9222 4.8204 4.8204 5.8769 5.8769 6.1340 6.1340 7.1503 7.1503 10.2947 10.2947 10.6368 10.6368 10.6797 10.6797 k =-0.5000 0.1771 0.5377 ( 3840 PWs) bands (ev): -33.4686 -33.4686 -33.4674 -33.4674 -14.7281 -14.7281 -14.7234 -14.7234 -14.3685 -14.3685 -14.3672 -14.3672 -14.3175 -14.3175 -14.3136 -14.3136 2.7194 2.7194 2.8346 2.8346 2.9592 2.9592 2.9667 2.9667 3.3780 3.3780 3.4015 3.4015 3.6001 3.6001 3.7385 3.7385 3.8418 3.8418 3.9321 3.9321 4.7328 4.7328 5.9766 5.9766 6.0616 6.0616 7.2566 7.2566 10.2594 10.2594 10.6650 10.6651 10.6862 10.6862 k =-0.5000 0.1771 0.5185 ( 3844 PWs) bands (ev): -33.4688 -33.4688 -33.4673 -33.4673 -14.7283 -14.7283 -14.7228 -14.7228 -14.3683 -14.3683 -14.3668 -14.3668 -14.3180 -14.3180 -14.3135 -14.3135 2.7095 2.7095 2.8394 2.8394 2.9583 2.9583 2.9672 2.9672 3.3758 3.3758 3.4009 3.4009 3.5896 3.5896 3.7412 3.7412 3.8414 3.8414 3.9424 3.9424 4.6491 4.6491 5.9328 5.9328 6.1370 6.1370 7.3627 7.3627 10.2241 10.2241 10.6780 10.6780 10.7103 10.7103 k =-0.5000 0.1771 0.4993 ( 3864 PWs) bands (ev): -33.4689 -33.4689 -33.4672 -33.4672 -14.7286 -14.7286 -14.7222 -14.7222 -14.3680 -14.3680 -14.3664 -14.3664 -14.3187 -14.3187 -14.3134 -14.3134 2.7001 2.7001 2.8427 2.8427 2.9573 2.9573 2.9676 2.9676 3.3737 3.3737 3.3992 3.3992 3.5805 3.5805 3.7413 3.7413 3.8426 3.8426 3.9529 3.9529 4.5697 4.5697 5.8469 5.8469 6.2587 6.2587 7.4686 7.4686 10.1888 10.1888 10.6858 10.6858 10.7419 10.7419 k =-0.5000 0.1771 0.4801 ( 3866 PWs) bands (ev): -33.4690 -33.4690 -33.4672 -33.4672 -14.7287 -14.7287 -14.7216 -14.7216 -14.3677 -14.3677 -14.3659 -14.3659 -14.3192 -14.3192 -14.3133 -14.3133 2.6914 2.6914 2.8446 2.8446 2.9563 2.9563 2.9680 2.9680 3.3714 3.3714 3.3964 3.3964 3.5728 3.5728 3.7393 3.7393 3.8452 3.8452 3.9636 3.9636 4.4948 4.4948 5.7604 5.7604 6.3854 6.3854 7.5740 7.5740 10.1536 10.1536 10.6949 10.6949 10.7743 10.7743 k =-0.5000 0.1771 0.4609 ( 3866 PWs) bands (ev): -33.4691 -33.4691 -33.4671 -33.4671 -14.7288 -14.7288 -14.7209 -14.7209 -14.3673 -14.3673 -14.3654 -14.3654 -14.3199 -14.3199 -14.3133 -14.3133 2.6833 2.6833 2.8452 2.8452 2.9551 2.9551 2.9683 2.9683 3.3690 3.3690 3.3925 3.3925 3.5667 3.5667 3.7356 3.7356 3.8484 3.8484 3.9746 3.9746 4.4246 4.4246 5.6756 5.6756 6.5145 6.5145 7.6785 7.6785 10.1185 10.1185 10.7059 10.7059 10.8066 10.8066 k =-0.5000 0.1771 0.4417 ( 3866 PWs) bands (ev): -33.4692 -33.4692 -33.4670 -33.4670 -14.7289 -14.7289 -14.7202 -14.7202 -14.3669 -14.3669 -14.3649 -14.3649 -14.3205 -14.3205 -14.3132 -14.3132 2.6759 2.6759 2.8444 2.8444 2.9538 2.9538 2.9683 2.9683 3.3662 3.3662 3.3873 3.3873 3.5621 3.5621 3.7309 3.7309 3.8518 3.8518 3.9857 3.9857 4.3594 4.3594 5.5931 5.5931 6.6457 6.6457 7.7820 7.7820 10.0836 10.0836 10.7191 10.7191 10.8384 10.8384 k =-0.5000 0.1771 0.4225 ( 3866 PWs) bands (ev): -33.4693 -33.4693 -33.4669 -33.4669 -14.7289 -14.7289 -14.7196 -14.7196 -14.3664 -14.3664 -14.3643 -14.3643 -14.3212 -14.3212 -14.3132 -14.3132 2.6693 2.6693 2.8423 2.8423 2.9522 2.9522 2.9680 2.9680 3.3630 3.3630 3.3809 3.3809 3.5590 3.5590 3.7254 3.7254 3.8549 3.8549 3.9968 3.9968 4.2994 4.2994 5.5130 5.5130 6.7784 6.7784 7.8843 7.8843 10.0490 10.0490 10.7341 10.7341 10.8693 10.8693 k =-0.5000 0.1771 0.4033 ( 3864 PWs) bands (ev): -33.4694 -33.4694 -33.4669 -33.4669 -14.7289 -14.7289 -14.7189 -14.7189 -14.3659 -14.3659 -14.3637 -14.3637 -14.3219 -14.3219 -14.3132 -14.3132 2.6635 2.6635 2.8391 2.8391 2.9504 2.9504 2.9672 2.9672 3.3589 3.3589 3.3737 3.3737 3.5572 3.5572 3.7196 3.7196 3.8575 3.8575 4.0080 4.0080 4.2450 4.2450 5.4356 5.4356 6.9126 6.9126 7.9849 7.9849 10.0149 10.0149 10.7507 10.7507 10.8990 10.8990 k =-0.5000 0.1771 0.3841 ( 3864 PWs) bands (ev): -33.4695 -33.4695 -33.4668 -33.4668 -14.7289 -14.7289 -14.7182 -14.7182 -14.3653 -14.3653 -14.3630 -14.3630 -14.3227 -14.3227 -14.3132 -14.3132 2.6586 2.6586 2.8349 2.8349 2.9483 2.9483 2.9659 2.9659 3.3533 3.3533 3.3665 3.3665 3.5565 3.5565 3.7135 3.7135 3.8594 3.8594 4.0191 4.0191 4.1962 4.1962 5.3609 5.3609 7.0480 7.0480 8.0836 8.0836 9.9813 9.9813 10.7687 10.7687 10.9268 10.9268 k =-0.5000 0.1771 0.3649 ( 3870 PWs) bands (ev): -33.4696 -33.4696 -33.4667 -33.4667 -14.7289 -14.7289 -14.7176 -14.7176 -14.3647 -14.3647 -14.3624 -14.3624 -14.3235 -14.3235 -14.3133 -14.3133 2.6546 2.6546 2.8298 2.8298 2.9458 2.9458 2.9641 2.9641 3.3447 3.3447 3.3604 3.3604 3.5568 3.5568 3.7075 3.7075 3.8606 3.8606 4.0300 4.0300 4.1534 4.1534 5.2892 5.2892 7.1843 7.1843 8.1803 8.1803 9.9484 9.9484 10.7875 10.7875 10.9517 10.9517 k =-0.5000 0.1771 0.3457 ( 3872 PWs) bands (ev): -33.4697 -33.4697 -33.4667 -33.4667 -14.7288 -14.7288 -14.7169 -14.7169 -14.3641 -14.3641 -14.3617 -14.3617 -14.3243 -14.3243 -14.3133 -14.3133 2.6515 2.6515 2.8239 2.8239 2.9428 2.9428 2.9618 2.9618 3.3333 3.3333 3.3557 3.3557 3.5577 3.5577 3.7015 3.7015 3.8609 3.8609 4.0406 4.0406 4.1165 4.1165 5.2204 5.2204 7.3214 7.3214 8.2745 8.2745 9.9162 9.9162 10.8065 10.8065 10.9725 10.9725 k =-0.5000 0.1771 0.3265 ( 3872 PWs) bands (ev): -33.4698 -33.4698 -33.4666 -33.4666 -14.7288 -14.7288 -14.7163 -14.7163 -14.3635 -14.3635 -14.3610 -14.3610 -14.3251 -14.3251 -14.3134 -14.3134 2.6493 2.6493 2.8174 2.8174 2.9392 2.9392 2.9591 2.9591 3.3195 3.3195 3.3519 3.3519 3.5592 3.5592 3.6956 3.6956 3.8604 3.8604 4.0507 4.0507 4.0857 4.0857 5.1548 5.1548 7.4590 7.4590 8.3660 8.3660 9.8850 9.8850 10.8252 10.8252 10.9869 10.9873 k =-0.5000 0.1771 0.3072 ( 3866 PWs) bands (ev): -33.4699 -33.4699 -33.4666 -33.4666 -14.7287 -14.7287 -14.7156 -14.7156 -14.3629 -14.3629 -14.3602 -14.3602 -14.3260 -14.3260 -14.3135 -14.3135 2.6481 2.6481 2.8104 2.8104 2.9348 2.9348 2.9563 2.9563 3.3040 3.3040 3.3488 3.3488 3.5612 3.5612 3.6900 3.6900 3.8591 3.8591 4.0562 4.0562 4.0647 4.0647 5.0923 5.0923 7.5969 7.5969 8.4546 8.4546 9.8548 9.8548 10.8428 10.8428 10.9872 10.9873 k =-0.5000 0.1771 0.2880 ( 3862 PWs) bands (ev): -33.4700 -33.4700 -33.4665 -33.4665 -14.7286 -14.7286 -14.7150 -14.7150 -14.3622 -14.3622 -14.3594 -14.3594 -14.3269 -14.3269 -14.3135 -14.3135 2.6478 2.6478 2.8030 2.8030 2.9294 2.9294 2.9535 2.9535 3.2870 3.2870 3.3461 3.3461 3.5634 3.5634 3.6846 3.6846 3.8571 3.8571 4.0390 4.0390 4.0713 4.0713 5.0332 5.0332 7.7346 7.7346 8.5400 8.5400 9.8259 9.8259 10.8585 10.8585 10.9582 10.9587 k =-0.5000 0.1771 0.2688 ( 3862 PWs) bands (ev): -33.4701 -33.4701 -33.4665 -33.4665 -14.7285 -14.7285 -14.7144 -14.7144 -14.3616 -14.3616 -14.3585 -14.3585 -14.3278 -14.3278 -14.3136 -14.3136 2.6484 2.6484 2.7953 2.7953 2.9231 2.9231 2.9507 2.9507 3.2690 3.2690 3.3440 3.3440 3.5658 3.5658 3.6794 3.6794 3.8546 3.8546 4.0238 4.0238 4.0801 4.0801 4.9774 4.9774 7.8720 7.8720 8.6218 8.6218 9.7982 9.7982 10.8716 10.8716 10.9232 10.9232 k =-0.5000 0.1771 0.2496 ( 3862 PWs) bands (ev): -33.4702 -33.4702 -33.4664 -33.4664 -14.7284 -14.7284 -14.7138 -14.7138 -14.3610 -14.3610 -14.3576 -14.3576 -14.3288 -14.3288 -14.3137 -14.3137 2.6500 2.6500 2.7874 2.7874 2.9158 2.9158 2.9480 2.9480 3.2504 3.2504 3.3424 3.3424 3.5683 3.5683 3.6746 3.6746 3.8517 3.8517 4.0124 4.0124 4.0885 4.0885 4.9251 4.9251 8.0087 8.0087 8.6999 8.6999 9.7721 9.7721 10.8790 10.8790 10.8908 10.8908 k =-0.5000 0.1771 0.2304 ( 3854 PWs) bands (ev): -33.4702 -33.4702 -33.4664 -33.4664 -14.7283 -14.7283 -14.7132 -14.7132 -14.3604 -14.3604 -14.3567 -14.3567 -14.3298 -14.3298 -14.3138 -14.3138 2.6525 2.6525 2.7795 2.7795 2.9076 2.9076 2.9456 2.9456 3.2316 3.2316 3.3413 3.3413 3.5708 3.5708 3.6700 3.6700 3.8487 3.8487 4.0045 4.0045 4.0964 4.0964 4.8764 4.8764 8.1441 8.1441 8.7740 8.7740 9.7475 9.7475 10.8513 10.8513 10.8902 10.8902 k =-0.5000 0.1771 0.2112 ( 3852 PWs) bands (ev): -33.4703 -33.4703 -33.4664 -33.4664 -14.7282 -14.7282 -14.7127 -14.7127 -14.3598 -14.3598 -14.3557 -14.3557 -14.3308 -14.3308 -14.3139 -14.3139 2.6558 2.6558 2.7716 2.7716 2.8986 2.8986 2.9433 2.9433 3.2130 3.2130 3.3407 3.3407 3.5734 3.5734 3.6657 3.6657 3.8454 3.8454 3.9993 3.9993 4.1037 4.1037 4.8312 4.8312 8.2780 8.2780 8.8437 8.8437 9.7248 9.7248 10.8172 10.8172 10.8719 10.8719 k =-0.5000 0.1771 0.1920 ( 3846 PWs) bands (ev): -33.4704 -33.4704 -33.4663 -33.4663 -14.7280 -14.7280 -14.7122 -14.7122 -14.3593 -14.3593 -14.3547 -14.3547 -14.3318 -14.3318 -14.3140 -14.3140 2.6600 2.6600 2.7639 2.7639 2.8890 2.8890 2.9412 2.9412 3.1950 3.1950 3.3404 3.3404 3.5759 3.5759 3.6617 3.6617 3.8422 3.8422 3.9963 3.9963 4.1103 4.1103 4.7898 4.7898 8.4097 8.4097 8.9089 8.9089 9.7039 9.7039 10.7831 10.7831 10.8238 10.8238 k =-0.5000 0.1771 0.1728 ( 3838 PWs) bands (ev): -33.4704 -33.4704 -33.4663 -33.4663 -14.7279 -14.7279 -14.7118 -14.7118 -14.3588 -14.3588 -14.3536 -14.3536 -14.3328 -14.3328 -14.3141 -14.3141 2.6648 2.6648 2.7567 2.7567 2.8787 2.8787 2.9393 2.9393 3.1780 3.1780 3.3405 3.3405 3.5783 3.5783 3.6581 3.6581 3.8391 3.8391 3.9951 3.9951 4.1163 4.1163 4.7520 4.7520 8.5386 8.5386 8.9693 8.9693 9.6850 9.6850 10.7464 10.7464 10.7732 10.7732 k =-0.5000 0.1771 0.1536 ( 3838 PWs) bands (ev): -33.4705 -33.4705 -33.4663 -33.4663 -14.7278 -14.7278 -14.7113 -14.7113 -14.3583 -14.3583 -14.3526 -14.3526 -14.3339 -14.3339 -14.3142 -14.3142 2.6703 2.6703 2.7500 2.7500 2.8680 2.8680 2.9375 2.9375 3.1622 3.1622 3.3409 3.3409 3.5806 3.5806 3.6548 3.6548 3.8361 3.8361 3.9950 3.9950 4.1217 4.1217 4.7181 4.7181 8.6636 8.6636 9.0245 9.0245 9.6684 9.6684 10.6967 10.6967 10.7328 10.7328 k =-0.5000 0.1771 0.1344 ( 3836 PWs) bands (ev): -33.4705 -33.4705 -33.4662 -33.4662 -14.7277 -14.7277 -14.7110 -14.7110 -14.3579 -14.3579 -14.3515 -14.3515 -14.3350 -14.3350 -14.3142 -14.3142 2.6761 2.6761 2.7440 2.7440 2.8570 2.8570 2.9359 2.9359 3.1479 3.1479 3.3414 3.3414 3.5827 3.5827 3.6518 3.6518 3.8333 3.8333 3.9958 3.9958 4.1264 4.1264 4.6881 4.6881 8.7838 8.7838 9.0746 9.0746 9.6539 9.6539 10.6358 10.6358 10.7027 10.7027 k =-0.5000 0.1771 0.1152 ( 3836 PWs) bands (ev): -33.4706 -33.4706 -33.4662 -33.4662 -14.7277 -14.7277 -14.7107 -14.7107 -14.3576 -14.3576 -14.3504 -14.3504 -14.3361 -14.3361 -14.3143 -14.3143 2.6821 2.6821 2.7392 2.7392 2.8459 2.8459 2.9345 2.9345 3.1352 3.1352 3.3421 3.3421 3.5847 3.5847 3.6491 3.6491 3.8308 3.8308 3.9970 3.9970 4.1305 4.1305 4.6619 4.6619 8.8973 8.8973 9.1195 9.1195 9.6418 9.6418 10.5713 10.5713 10.6769 10.6769 k =-0.5000 0.1771 0.0960 ( 3840 PWs) bands (ev): -33.4706 -33.4706 -33.4662 -33.4662 -14.7276 -14.7276 -14.7104 -14.7104 -14.3573 -14.3573 -14.3492 -14.3492 -14.3373 -14.3373 -14.3144 -14.3144 2.6878 2.6878 2.7358 2.7358 2.8349 2.8349 2.9333 2.9333 3.1243 3.1243 3.3428 3.3428 3.5864 3.5864 3.6467 3.6467 3.8285 3.8285 3.9985 3.9985 4.1340 4.1340 4.6397 4.6397 9.0016 9.0016 9.1600 9.1600 9.6320 9.6320 10.5063 10.5063 10.6545 10.6545 k =-0.5000 0.1771 0.0768 ( 3850 PWs) bands (ev): -33.4707 -33.4707 -33.4662 -33.4662 -14.7276 -14.7276 -14.7102 -14.7102 -14.3571 -14.3571 -14.3481 -14.3481 -14.3384 -14.3384 -14.3145 -14.3145 2.6926 2.6926 2.7343 2.7343 2.8241 2.8241 2.9322 2.9322 3.1153 3.1153 3.3434 3.3434 3.5879 3.5879 3.6448 3.6448 3.8265 3.8265 4.0001 4.0001 4.1368 4.1368 4.6214 4.6214 9.0912 9.0912 9.1984 9.1984 9.6244 9.6244 10.4435 10.4435 10.6355 10.6355 k =-0.5000 0.1771 0.0576 ( 3848 PWs) bands (ev): -33.4707 -33.4707 -33.4662 -33.4662 -14.7275 -14.7275 -14.7100 -14.7100 -14.3569 -14.3569 -14.3470 -14.3470 -14.3395 -14.3395 -14.3146 -14.3146 2.6961 2.6961 2.7349 2.7349 2.8141 2.8141 2.9315 2.9315 3.1082 3.1082 3.3440 3.3440 3.5892 3.5892 3.6432 3.6432 3.8250 3.8250 4.0015 4.0015 4.1390 4.1390 4.6072 4.6072 9.1566 9.1566 9.2412 9.2412 9.6190 9.6190 10.3862 10.3862 10.6203 10.6203 k =-0.5000 0.1771 0.0384 ( 3852 PWs) bands (ev): -33.4707 -33.4707 -33.4662 -33.4662 -14.7275 -14.7275 -14.7099 -14.7099 -14.3567 -14.3567 -14.3459 -14.3459 -14.3406 -14.3406 -14.3146 -14.3146 2.6980 2.6980 2.7373 2.7373 2.8056 2.8056 2.9309 2.9309 3.1032 3.1032 3.3445 3.3445 3.5901 3.5901 3.6421 3.6421 3.8238 3.8238 4.0025 4.0025 4.1405 4.1405 4.5970 4.5970 9.1927 9.1927 9.2886 9.2886 9.6154 9.6154 10.3391 10.3391 10.6092 10.6092 k =-0.5000 0.1771 0.0192 ( 3852 PWs) bands (ev): -33.4707 -33.4707 -33.4662 -33.4662 -14.7275 -14.7275 -14.7098 -14.7098 -14.3567 -14.3567 -14.3449 -14.3449 -14.3416 -14.3416 -14.3146 -14.3146 2.6988 2.6988 2.7399 2.7399 2.7995 2.7995 2.9305 2.9305 3.1001 3.1001 3.3448 3.3448 3.5906 3.5906 3.6413 3.6413 3.8231 3.8231 4.0032 4.0032 4.1415 4.1415 4.5909 4.5909 9.2095 9.2095 9.3250 9.3250 9.6134 9.6134 10.3075 10.3075 10.6025 10.6025 k =-0.5000 0.1771 0.0000 ( 3852 PWs) bands (ev): -33.4707 -33.4707 -33.4662 -33.4662 -14.7274 -14.7274 -14.7098 -14.7098 -14.3566 -14.3566 -14.3444 -14.3444 -14.3422 -14.3422 -14.3147 -14.3147 2.6990 2.6990 2.7412 2.7412 2.7972 2.7972 2.9304 2.9304 3.0991 3.0991 3.3449 3.3449 3.5908 3.5908 3.6411 3.6411 3.8228 3.8228 4.0035 4.0035 4.1418 4.1418 4.5889 4.5889 9.2147 9.2147 9.3384 9.3384 9.6127 9.6127 10.2963 10.2963 10.6002 10.6002 k = 0.0000 0.0000 0.6529 ( 3818 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7222 -14.7222 -14.7222 -14.7222 -14.3563 -14.3563 -14.3563 -14.3563 -14.3299 -14.3299 -14.3299 -14.3299 2.7688 2.7688 2.7688 2.7688 2.9797 2.9797 2.9797 2.9797 3.4001 3.4001 3.4001 3.4001 3.5997 3.5997 3.5997 3.5997 3.8780 3.8780 3.8780 3.8780 4.7441 4.7441 4.7441 4.7441 8.6184 8.6184 8.6184 8.6184 9.2192 9.2192 9.2192 9.2192 10.1611 10.1611 k =-0.0179 0.0063 0.6529 ( 3818 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7222 -14.7222 -14.7222 -14.7222 -14.3563 -14.3563 -14.3563 -14.3563 -14.3299 -14.3299 -14.3299 -14.3299 2.7689 2.7689 2.7689 2.7689 2.9797 2.9797 2.9797 2.9797 3.4001 3.4001 3.4001 3.4001 3.6000 3.6000 3.6000 3.6000 3.8780 3.8780 3.8780 3.8780 4.7451 4.7451 4.7451 4.7451 8.6029 8.6029 8.6029 8.6029 9.2328 9.2328 9.2328 9.2328 10.1624 10.1624 k =-0.0357 0.0126 0.6529 ( 3806 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7223 -14.7223 -14.7223 -14.7223 -14.3565 -14.3565 -14.3565 -14.3565 -14.3296 -14.3296 -14.3296 -14.3296 2.7691 2.7691 2.7691 2.7691 2.9795 2.9795 2.9795 2.9795 3.4001 3.4001 3.4001 3.4001 3.6008 3.6008 3.6008 3.6008 3.8779 3.8779 3.8779 3.8779 4.7482 4.7482 4.7482 4.7482 8.5601 8.5601 8.5601 8.5601 9.2698 9.2698 9.2698 9.2698 10.1662 10.1662 k =-0.0536 0.0190 0.6529 ( 3814 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7223 -14.7223 -14.7223 -14.7223 -14.3568 -14.3568 -14.3568 -14.3568 -14.3293 -14.3293 -14.3293 -14.3293 2.7693 2.7693 2.7693 2.7693 2.9793 2.9793 2.9793 2.9793 3.4000 3.4000 3.4000 3.4000 3.6022 3.6022 3.6022 3.6022 3.8778 3.8778 3.8778 3.8778 4.7532 4.7532 4.7532 4.7532 8.4977 8.4977 8.4977 8.4977 9.3228 9.3228 9.3228 9.3228 10.1724 10.1724 k =-0.0714 0.0253 0.6529 ( 3814 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7224 -14.7224 -14.7224 -14.7224 -14.3572 -14.3572 -14.3572 -14.3572 -14.3289 -14.3289 -14.3289 -14.3289 2.7697 2.7697 2.7697 2.7697 2.9789 2.9789 2.9789 2.9789 3.4000 3.4000 3.4000 3.4000 3.6041 3.6041 3.6041 3.6041 3.8776 3.8776 3.8776 3.8776 4.7603 4.7603 4.7603 4.7603 8.4223 8.4223 8.4223 8.4223 9.3850 9.3850 9.3850 9.3850 10.1812 10.1812 k =-0.0893 0.0316 0.6529 ( 3822 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7226 -14.7226 -14.7226 -14.7226 -14.3577 -14.3577 -14.3577 -14.3577 -14.3283 -14.3283 -14.3283 -14.3283 2.7701 2.7701 2.7701 2.7701 2.9784 2.9784 2.9784 2.9784 3.3999 3.3999 3.3999 3.3999 3.6065 3.6065 3.6065 3.6065 3.8774 3.8774 3.8774 3.8774 4.7695 4.7695 4.7695 4.7695 8.3386 8.3386 8.3386 8.3386 9.4520 9.4520 9.4520 9.4520 10.1923 10.1923 k =-0.1071 0.0379 0.6529 ( 3830 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7227 -14.7227 -14.7227 -14.7227 -14.3583 -14.3583 -14.3583 -14.3583 -14.3277 -14.3277 -14.3277 -14.3277 2.7705 2.7705 2.7705 2.7705 2.9779 2.9779 2.9779 2.9779 3.3998 3.3998 3.3998 3.3998 3.6093 3.6093 3.6093 3.6093 3.8772 3.8772 3.8772 3.8772 4.7807 4.7807 4.7807 4.7807 8.2495 8.2495 8.2495 8.2495 9.5211 9.5211 9.5211 9.5211 10.2058 10.2058 k =-0.1250 0.0443 0.6529 ( 3842 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7229 -14.7229 -14.7229 -14.7229 -14.3589 -14.3589 -14.3589 -14.3589 -14.3270 -14.3270 -14.3270 -14.3270 2.7711 2.7711 2.7711 2.7711 2.9773 2.9773 2.9773 2.9773 3.3996 3.3996 3.3996 3.3996 3.6126 3.6126 3.6126 3.6126 3.8769 3.8769 3.8769 3.8769 4.7940 4.7940 4.7940 4.7940 8.1567 8.1567 8.1567 8.1567 9.5905 9.5905 9.5905 9.5906 10.2216 10.2216 k =-0.1429 0.0506 0.6529 ( 3844 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7231 -14.7231 -14.7231 -14.7231 -14.3596 -14.3596 -14.3596 -14.3596 -14.3263 -14.3263 -14.3263 -14.3263 2.7717 2.7717 2.7717 2.7717 2.9766 2.9766 2.9766 2.9766 3.3994 3.3994 3.3994 3.3994 3.6162 3.6162 3.6162 3.6162 3.8766 3.8766 3.8766 3.8766 4.8094 4.8094 4.8094 4.8094 8.0617 8.0617 8.0617 8.0617 9.6594 9.6594 9.6594 9.6594 10.2396 10.2396 k =-0.1607 0.0569 0.6529 ( 3848 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7233 -14.7233 -14.7233 -14.7233 -14.3603 -14.3603 -14.3603 -14.3603 -14.3255 -14.3255 -14.3255 -14.3255 2.7724 2.7724 2.7724 2.7724 2.9758 2.9758 2.9758 2.9758 3.3992 3.3992 3.3992 3.3992 3.6201 3.6201 3.6201 3.6201 3.8763 3.8763 3.8763 3.8763 4.8269 4.8269 4.8269 4.8269 7.9652 7.9652 7.9652 7.9652 9.7269 9.7269 9.7269 9.7269 10.2596 10.2596 k =-0.1786 0.0632 0.6529 ( 3850 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7235 -14.7235 -14.7235 -14.7235 -14.3610 -14.3610 -14.3610 -14.3610 -14.3247 -14.3247 -14.3247 -14.3247 2.7732 2.7732 2.7732 2.7732 2.9750 2.9750 2.9750 2.9750 3.3989 3.3989 3.3989 3.3989 3.6243 3.6243 3.6243 3.6243 3.8761 3.8761 3.8761 3.8761 4.8465 4.8465 4.8465 4.8465 7.8680 7.8680 7.8680 7.8680 9.7927 9.7927 9.7927 9.7927 10.2817 10.2817 k =-0.1964 0.0696 0.6529 ( 3846 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7237 -14.7237 -14.7237 -14.7237 -14.3617 -14.3617 -14.3617 -14.3617 -14.3238 -14.3238 -14.3238 -14.3238 2.7740 2.7740 2.7740 2.7740 2.9742 2.9742 2.9742 2.9742 3.3986 3.3986 3.3986 3.3986 3.6287 3.6287 3.6287 3.6287 3.8758 3.8758 3.8758 3.8758 4.8682 4.8682 4.8682 4.8682 7.7707 7.7707 7.7707 7.7707 9.8565 9.8565 9.8565 9.8565 10.3056 10.3056 k =-0.2143 0.0759 0.6529 ( 3848 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7239 -14.7239 -14.7239 -14.7239 -14.3624 -14.3624 -14.3624 -14.3624 -14.3230 -14.3230 -14.3230 -14.3230 2.7748 2.7748 2.7748 2.7748 2.9733 2.9733 2.9733 2.9733 3.3982 3.3982 3.3982 3.3982 3.6332 3.6332 3.6332 3.6332 3.8756 3.8756 3.8756 3.8756 4.8919 4.8919 4.8919 4.8919 7.6736 7.6736 7.6736 7.6736 9.9180 9.9180 9.9180 9.9180 10.3311 10.3311 k =-0.2321 0.0822 0.6529 ( 3848 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7241 -14.7241 -14.7241 -14.7241 -14.3631 -14.3631 -14.3631 -14.3631 -14.3222 -14.3222 -14.3222 -14.3222 2.7757 2.7757 2.7757 2.7757 2.9724 2.9724 2.9724 2.9724 3.3978 3.3978 3.3978 3.3978 3.6377 3.6377 3.6377 3.6377 3.8754 3.8754 3.8754 3.8754 4.9176 4.9176 4.9176 4.9176 7.5774 7.5774 7.5774 7.5774 9.9771 9.9771 9.9771 9.9772 10.3582 10.3582 k =-0.2500 0.0885 0.6529 ( 3852 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7243 -14.7243 -14.7243 -14.7243 -14.3637 -14.3637 -14.3637 -14.3637 -14.3214 -14.3214 -14.3214 -14.3214 2.7765 2.7765 2.7765 2.7765 2.9715 2.9715 2.9715 2.9715 3.3974 3.3974 3.3974 3.3974 3.6422 3.6422 3.6422 3.6422 3.8753 3.8753 3.8753 3.8753 4.9451 4.9451 4.9451 4.9451 7.4825 7.4825 7.4825 7.4825 10.0337 10.0337 10.0337 10.0337 10.3866 10.3866 k =-0.2679 0.0949 0.6529 ( 3848 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7246 -14.7246 -14.7246 -14.7246 -14.3644 -14.3644 -14.3644 -14.3644 -14.3206 -14.3206 -14.3206 -14.3206 2.7773 2.7773 2.7773 2.7773 2.9706 2.9706 2.9706 2.9706 3.3969 3.3969 3.3969 3.3969 3.6467 3.6467 3.6467 3.6467 3.8752 3.8752 3.8752 3.8752 4.9743 4.9743 4.9743 4.9743 7.3893 7.3893 7.3893 7.3893 10.0876 10.0876 10.0876 10.0876 10.4160 10.4160 k =-0.2857 0.1012 0.6529 ( 3838 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7248 -14.7248 -14.7248 -14.7248 -14.3650 -14.3650 -14.3650 -14.3650 -14.3198 -14.3198 -14.3198 -14.3198 2.7781 2.7781 2.7781 2.7781 2.9698 2.9698 2.9698 2.9698 3.3964 3.3964 3.3964 3.3964 3.6510 3.6510 3.6510 3.6510 3.8752 3.8752 3.8752 3.8752 5.0052 5.0052 5.0052 5.0052 7.2982 7.2982 7.2982 7.2982 10.1388 10.1388 10.1388 10.1388 10.4461 10.4461 k =-0.3036 0.1075 0.6529 ( 3836 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7250 -14.7250 -14.7250 -14.7250 -14.3655 -14.3655 -14.3655 -14.3655 -14.3191 -14.3191 -14.3191 -14.3191 2.7789 2.7789 2.7789 2.7789 2.9689 2.9689 2.9689 2.9689 3.3959 3.3959 3.3959 3.3959 3.6551 3.6551 3.6551 3.6551 3.8752 3.8752 3.8752 3.8752 5.0373 5.0373 5.0373 5.0373 7.2099 7.2099 7.2099 7.2099 10.1871 10.1871 10.1871 10.1871 10.4768 10.4768 k =-0.3214 0.1138 0.6529 ( 3844 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7252 -14.7252 -14.7252 -14.7252 -14.3661 -14.3661 -14.3661 -14.3661 -14.3184 -14.3184 -14.3184 -14.3184 2.7796 2.7796 2.7796 2.7796 2.9681 2.9681 2.9681 2.9681 3.3953 3.3953 3.3953 3.3953 3.6589 3.6589 3.6589 3.6589 3.8752 3.8752 3.8752 3.8752 5.0704 5.0704 5.0704 5.0704 7.1247 7.1247 7.1247 7.1247 10.2322 10.2322 10.2322 10.2322 10.5076 10.5076 k =-0.3393 0.1202 0.6529 ( 3846 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7254 -14.7254 -14.7254 -14.7254 -14.3666 -14.3666 -14.3666 -14.3666 -14.3178 -14.3178 -14.3178 -14.3178 2.7803 2.7803 2.7803 2.7803 2.9673 2.9673 2.9673 2.9673 3.3948 3.3948 3.3948 3.3948 3.6625 3.6625 3.6625 3.6625 3.8752 3.8752 3.8752 3.8752 5.1041 5.1041 5.1041 5.1041 7.0434 7.0434 7.0434 7.0434 10.2741 10.2741 10.2741 10.2741 10.5381 10.5381 k =-0.3571 0.1265 0.6529 ( 3842 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7256 -14.7256 -14.7256 -14.7256 -14.3670 -14.3670 -14.3670 -14.3670 -14.3172 -14.3172 -14.3172 -14.3172 2.7809 2.7809 2.7809 2.7809 2.9666 2.9666 2.9666 2.9666 3.3943 3.3943 3.3943 3.3943 3.6657 3.6657 3.6657 3.6657 3.8754 3.8754 3.8754 3.8754 5.1378 5.1378 5.1378 5.1378 6.9665 6.9665 6.9665 6.9665 10.3126 10.3126 10.3126 10.3126 10.5679 10.5679 k =-0.3750 0.1328 0.6529 ( 3830 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7257 -14.7257 -14.7257 -14.7257 -14.3674 -14.3674 -14.3674 -14.3674 -14.3167 -14.3167 -14.3167 -14.3167 2.7815 2.7815 2.7815 2.7815 2.9659 2.9659 2.9659 2.9659 3.3939 3.3939 3.3939 3.3939 3.6687 3.6687 3.6687 3.6687 3.8755 3.8755 3.8755 3.8755 5.1711 5.1711 5.1711 5.1711 6.8949 6.8949 6.8949 6.8949 10.3475 10.3475 10.3475 10.3475 10.5964 10.5964 k =-0.3929 0.1391 0.6529 ( 3826 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7259 -14.7259 -14.7259 -14.7259 -14.3677 -14.3677 -14.3677 -14.3677 -14.3162 -14.3162 -14.3162 -14.3162 2.7821 2.7821 2.7821 2.7821 2.9653 2.9653 2.9653 2.9653 3.3934 3.3934 3.3934 3.3934 3.6712 3.6712 3.6712 3.6712 3.8757 3.8757 3.8757 3.8757 5.2031 5.2031 5.2031 5.2031 6.8295 6.8295 6.8295 6.8295 10.3785 10.3785 10.3785 10.3785 10.6231 10.6231 k =-0.4107 0.1455 0.6529 ( 3826 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7260 -14.7260 -14.7260 -14.7260 -14.3680 -14.3680 -14.3680 -14.3680 -14.3158 -14.3158 -14.3158 -14.3158 2.7825 2.7825 2.7825 2.7825 2.9648 2.9648 2.9648 2.9648 3.3931 3.3931 3.3931 3.3931 3.6734 3.6734 3.6734 3.6734 3.8758 3.8758 3.8758 3.8758 5.2328 5.2328 5.2328 5.2328 6.7712 6.7712 6.7712 6.7712 10.4053 10.4053 10.4053 10.4053 10.6474 10.6474 k =-0.4286 0.1518 0.6529 ( 3830 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7261 -14.7261 -14.7261 -14.7261 -14.3683 -14.3683 -14.3683 -14.3683 -14.3155 -14.3155 -14.3155 -14.3155 2.7829 2.7829 2.7829 2.7829 2.9644 2.9644 2.9644 2.9644 3.3927 3.3927 3.3927 3.3927 3.6752 3.6752 3.6752 3.6752 3.8759 3.8759 3.8759 3.8759 5.2594 5.2594 5.2594 5.2594 6.7212 6.7212 6.7212 6.7212 10.4276 10.4276 10.4276 10.4276 10.6685 10.6685 k =-0.4464 0.1581 0.6529 ( 3826 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7262 -14.7262 -14.7262 -14.7262 -14.3685 -14.3685 -14.3685 -14.3685 -14.3153 -14.3153 -14.3153 -14.3153 2.7832 2.7832 2.7832 2.7832 2.9640 2.9640 2.9640 2.9640 3.3925 3.3925 3.3925 3.3925 3.6766 3.6766 3.6766 3.6766 3.8760 3.8760 3.8760 3.8760 5.2816 5.2816 5.2816 5.2816 6.6806 6.6806 6.6806 6.6806 10.4454 10.4454 10.4454 10.4454 10.6859 10.6859 k =-0.4643 0.1644 0.6529 ( 3824 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7262 -14.7262 -14.7262 -14.7262 -14.3686 -14.3686 -14.3686 -14.3686 -14.3151 -14.3151 -14.3151 -14.3151 2.7834 2.7834 2.7834 2.7834 2.9638 2.9638 2.9638 2.9638 3.3923 3.3923 3.3923 3.3923 3.6775 3.6775 3.6775 3.6775 3.8761 3.8761 3.8761 3.8761 5.2985 5.2985 5.2985 5.2985 6.6506 6.6506 6.6506 6.6506 10.4582 10.4582 10.4582 10.4582 10.6988 10.6988 k =-0.4821 0.1708 0.6529 ( 3834 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7263 -14.7263 -14.7263 -14.7263 -14.3687 -14.3687 -14.3687 -14.3687 -14.3150 -14.3150 -14.3150 -14.3150 2.7834 2.7834 2.7834 2.7834 2.9637 2.9637 2.9637 2.9637 3.3922 3.3922 3.3922 3.3922 3.6781 3.6781 3.6781 3.6781 3.8761 3.8761 3.8761 3.8761 5.3091 5.3091 5.3091 5.3091 6.6321 6.6321 6.6321 6.6321 10.4660 10.4660 10.4660 10.4660 10.7068 10.7068 k =-0.5000 0.1771 0.6529 ( 3840 PWs) bands (ev): -33.4680 -33.4680 -33.4680 -33.4680 -14.7263 -14.7263 -14.7263 -14.7263 -14.3688 -14.3688 -14.3688 -14.3688 -14.3150 -14.3150 -14.3150 -14.3150 2.7834 2.7834 2.7834 2.7834 2.9636 2.9636 2.9636 2.9636 3.3921 3.3921 3.3921 3.3921 3.6783 3.6783 3.6783 3.6783 3.8761 3.8761 3.8761 3.8761 5.3127 5.3127 5.3127 5.3127 6.6259 6.6259 6.6259 6.6259 10.4686 10.4686 10.4686 10.4686 10.7095 10.7095 Writing output data file CaAg.save init_run : 0.24s CPU 0.38s WALL ( 1 calls) electrons : 364.88s CPU 369.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 364.87s CPU 369.44s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 390 calls) cegterg : 342.42s CPU 346.41s WALL ( 1116 calls) Called by sum_band: Called by *egterg: h_psi : 198.40s CPU 201.17s WALL ( 19823 calls) s_psi : 9.77s CPU 9.52s WALL ( 19823 calls) g_psi : 0.42s CPU 0.41s WALL ( 18317 calls) cdiaghg : 120.02s CPU 121.56s WALL ( 18707 calls) cegterg:over : 9.91s CPU 10.15s WALL ( 18317 calls) cegterg:upda : 10.03s CPU 9.79s WALL ( 18317 calls) cegterg:last : 4.50s CPU 4.62s WALL ( 2548 calls) cdiaghg:chol : 6.92s CPU 6.71s WALL ( 18707 calls) cdiaghg:inve : 4.44s CPU 4.48s WALL ( 18707 calls) cdiaghg:para : 6.74s CPU 6.88s WALL ( 37414 calls) Called by h_psi: h_psi:vloc : 177.15s CPU 179.61s WALL ( 19823 calls) h_psi:vnl : 20.86s CPU 21.18s WALL ( 19823 calls) add_vuspsi : 10.93s CPU 11.03s WALL ( 19823 calls) General routines calbec : 9.88s CPU 10.09s WALL ( 19823 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 165.40s CPU 167.94s WALL ( 1444600 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.31s WALL ( 780 calls) Parallel routines fft_scatter : 45.11s CPU 45.57s WALL ( 1444623 calls) PWSCF : 6m22.15s CPU 6m40.61s WALL This run was terminated on: 18:25:15 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=