Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:40 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./LiHS.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 78 78 21 5020 5020 729 Max 79 79 22 5025 5025 736 Sum 2835 2835 787 180801 180801 26437 bravais-lattice index = 14 lattice parameter (alat) = 7.4416 a.u. unit-cell volume = 1280.1269 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.441628 celldm(2)= 1.561540 celldm(3)= 1.989281 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.561540 0.000000 ) a(3) = ( 0.000000 0.000000 1.989281 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.640394 -0.000000 ) b(3) = ( 0.000000 0.000000 0.502694 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) H 1.00 1.00790 H( 1.00) Li 3.00 6.94100 Li( 1.00) 4 Sym. Ops. (no 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 ) ( -0.9946406 ) isym = 3 inv. 180 deg rotation - cart. axis [0,1,0] 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 [1,0,0] 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 ) ( -0.9946406 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] s_v -s_v 3 -3 inv. 180 deg rotation - cart. axis [0,1,0] s_v'-s_v' 4 -4 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 360 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0027778 k( 4) = ( 0.0375000 -0.0000000 -0.0000000), wk = 0.0027778 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 6) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0027778 k( 7) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0027778 k( 8) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 10) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 11) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0027778 k( 12) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0027778 k( 13) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 14) = ( 0.1625000 -0.0000000 -0.0000000), wk = 0.0027778 k( 15) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0027778 k( 16) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 18) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 19) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0027778 k( 20) = ( 0.2375000 -0.0000000 -0.0000000), wk = 0.0027778 k( 21) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 22) = ( 0.2625000 -0.0000000 -0.0000000), wk = 0.0027778 k( 23) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0027778 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 25) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 26) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 27) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0027778 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0027778 k( 29) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 30) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0027778 k( 31) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0027778 k( 32) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 34) = ( 0.4125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 35) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0027778 k( 36) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0027778 k( 37) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0027778 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0027778 k( 39) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0027778 k( 40) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0027778 k( 41) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 42) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 43) = ( 0.5000000 0.0123153 -0.0000000), wk = 0.0027778 k( 44) = ( 0.5000000 0.0246305 -0.0000000), wk = 0.0027778 k( 45) = ( 0.5000000 0.0369458 -0.0000000), wk = 0.0027778 k( 46) = ( 0.5000000 0.0492610 -0.0000000), wk = 0.0027778 k( 47) = ( 0.5000000 0.0615763 -0.0000000), wk = 0.0027778 k( 48) = ( 0.5000000 0.0738916 -0.0000000), wk = 0.0027778 k( 49) = ( 0.5000000 0.0862068 -0.0000000), wk = 0.0027778 k( 50) = ( 0.5000000 0.0985221 -0.0000000), wk = 0.0027778 k( 51) = ( 0.5000000 0.1108373 -0.0000000), wk = 0.0027778 k( 52) = ( 0.5000000 0.1231526 -0.0000000), wk = 0.0027778 k( 53) = ( 0.5000000 0.1354679 -0.0000000), wk = 0.0027778 k( 54) = ( 0.5000000 0.1477831 -0.0000000), wk = 0.0027778 k( 55) = ( 0.5000000 0.1600984 -0.0000000), wk = 0.0027778 k( 56) = ( 0.5000000 0.1724136 -0.0000000), wk = 0.0027778 k( 57) = ( 0.5000000 0.1847289 -0.0000000), wk = 0.0027778 k( 58) = ( 0.5000000 0.1970442 -0.0000000), wk = 0.0027778 k( 59) = ( 0.5000000 0.2093594 -0.0000000), wk = 0.0027778 k( 60) = ( 0.5000000 0.2216747 -0.0000000), wk = 0.0027778 k( 61) = ( 0.5000000 0.2339900 -0.0000000), wk = 0.0027778 k( 62) = ( 0.5000000 0.2463052 -0.0000000), wk = 0.0027778 k( 63) = ( 0.5000000 0.2586205 -0.0000000), wk = 0.0027778 k( 64) = ( 0.5000000 0.2709357 -0.0000000), wk = 0.0027778 k( 65) = ( 0.5000000 0.2832510 -0.0000000), wk = 0.0027778 k( 66) = ( 0.5000000 0.2955663 -0.0000000), wk = 0.0027778 k( 67) = ( 0.5000000 0.3078815 -0.0000000), wk = 0.0027778 k( 68) = ( 0.5000000 0.3201968 -0.0000000), wk = 0.0027778 k( 69) = ( 0.5000000 0.3201968 -0.0000000), wk = 0.0027778 k( 70) = ( 0.4875000 0.3201968 -0.0000000), wk = 0.0027778 k( 71) = ( 0.4750000 0.3201968 -0.0000000), wk = 0.0027778 k( 72) = ( 0.4625000 0.3201968 -0.0000000), wk = 0.0027778 k( 73) = ( 0.4500000 0.3201968 -0.0000000), wk = 0.0027778 k( 74) = ( 0.4375000 0.3201968 -0.0000000), wk = 0.0027778 k( 75) = ( 0.4250000 0.3201968 -0.0000000), wk = 0.0027778 k( 76) = ( 0.4125000 0.3201968 -0.0000000), wk = 0.0027778 k( 77) = ( 0.4000000 0.3201968 -0.0000000), wk = 0.0027778 k( 78) = ( 0.3875000 0.3201968 -0.0000000), wk = 0.0027778 k( 79) = ( 0.3750000 0.3201968 -0.0000000), wk = 0.0027778 k( 80) = ( 0.3625000 0.3201968 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3500000 0.3201968 -0.0000000), wk = 0.0027778 k( 82) = ( 0.3375000 0.3201968 -0.0000000), wk = 0.0027778 k( 83) = ( 0.3250000 0.3201968 -0.0000000), wk = 0.0027778 k( 84) = ( 0.3125000 0.3201968 -0.0000000), wk = 0.0027778 k( 85) = ( 0.3000000 0.3201968 -0.0000000), wk = 0.0027778 k( 86) = ( 0.2875000 0.3201968 -0.0000000), wk = 0.0027778 k( 87) = ( 0.2750000 0.3201968 -0.0000000), wk = 0.0027778 k( 88) = ( 0.2625000 0.3201968 -0.0000000), wk = 0.0027778 k( 89) = ( 0.2500000 0.3201968 -0.0000000), wk = 0.0027778 k( 90) = ( 0.2375000 0.3201968 -0.0000000), wk = 0.0027778 k( 91) = ( 0.2250000 0.3201968 -0.0000000), wk = 0.0027778 k( 92) = ( 0.2125000 0.3201968 -0.0000000), wk = 0.0027778 k( 93) = ( 0.2000000 0.3201968 -0.0000000), wk = 0.0027778 k( 94) = ( 0.1875000 0.3201968 -0.0000000), wk = 0.0027778 k( 95) = ( 0.1750000 0.3201968 -0.0000000), wk = 0.0027778 k( 96) = ( 0.1625000 0.3201968 -0.0000000), wk = 0.0027778 k( 97) = ( 0.1500000 0.3201968 -0.0000000), wk = 0.0027778 k( 98) = ( 0.1375000 0.3201968 -0.0000000), wk = 0.0027778 k( 99) = ( 0.1250000 0.3201968 -0.0000000), wk = 0.0027778 k( 100) = ( 0.1125000 0.3201968 -0.0000000), wk = 0.0027778 k( 101) = ( 0.1000000 0.3201968 -0.0000000), wk = 0.0027778 k( 102) = ( 0.0875000 0.3201968 -0.0000000), wk = 0.0027778 k( 103) = ( 0.0750000 0.3201968 -0.0000000), wk = 0.0027778 k( 104) = ( 0.0625000 0.3201968 -0.0000000), wk = 0.0027778 k( 105) = ( 0.0500000 0.3201968 -0.0000000), wk = 0.0027778 k( 106) = ( 0.0375000 0.3201968 -0.0000000), wk = 0.0027778 k( 107) = ( 0.0250000 0.3201968 -0.0000000), wk = 0.0027778 k( 108) = ( 0.0125000 0.3201968 -0.0000000), wk = 0.0027778 k( 109) = ( 0.0000000 0.3201968 -0.0000000), wk = 0.0027778 k( 110) = ( 0.0000000 0.3201968 -0.0000000), wk = 0.0027778 k( 111) = ( 0.0000000 0.3078815 -0.0000000), wk = 0.0027778 k( 112) = ( 0.0000000 0.2955663 -0.0000000), wk = 0.0027778 k( 113) = ( 0.0000000 0.2832510 -0.0000000), wk = 0.0027778 k( 114) = ( 0.0000000 0.2709357 -0.0000000), wk = 0.0027778 k( 115) = ( 0.0000000 0.2586205 -0.0000000), wk = 0.0027778 k( 116) = ( 0.0000000 0.2463052 -0.0000000), wk = 0.0027778 k( 117) = ( 0.0000000 0.2339900 -0.0000000), wk = 0.0027778 k( 118) = ( 0.0000000 0.2216747 -0.0000000), wk = 0.0027778 k( 119) = ( 0.0000000 0.2093594 -0.0000000), wk = 0.0027778 k( 120) = ( 0.0000000 0.1970442 -0.0000000), wk = 0.0027778 k( 121) = ( 0.0000000 0.1847289 -0.0000000), wk = 0.0027778 k( 122) = ( 0.0000000 0.1724136 -0.0000000), wk = 0.0027778 k( 123) = ( 0.0000000 0.1600984 -0.0000000), wk = 0.0027778 k( 124) = ( 0.0000000 0.1477831 -0.0000000), wk = 0.0027778 k( 125) = ( 0.0000000 0.1354679 -0.0000000), wk = 0.0027778 k( 126) = ( 0.0000000 0.1231526 -0.0000000), wk = 0.0027778 k( 127) = ( 0.0000000 0.1108373 -0.0000000), wk = 0.0027778 k( 128) = ( 0.0000000 0.0985221 -0.0000000), wk = 0.0027778 k( 129) = ( 0.0000000 0.0862068 -0.0000000), wk = 0.0027778 k( 130) = ( 0.0000000 0.0738916 -0.0000000), wk = 0.0027778 k( 131) = ( 0.0000000 0.0615763 -0.0000000), wk = 0.0027778 k( 132) = ( 0.0000000 0.0492610 -0.0000000), wk = 0.0027778 k( 133) = ( 0.0000000 0.0369458 -0.0000000), wk = 0.0027778 k( 134) = ( 0.0000000 0.0246305 -0.0000000), wk = 0.0027778 k( 135) = ( 0.0000000 0.0123153 -0.0000000), wk = 0.0027778 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 138) = ( 0.0000000 0.0000000 0.0119689), wk = 0.0027778 k( 139) = ( 0.0000000 0.0000000 0.0239378), wk = 0.0027778 k( 140) = ( 0.0000000 0.0000000 0.0359067), wk = 0.0027778 k( 141) = ( 0.0000000 0.0000000 0.0478756), wk = 0.0027778 k( 142) = ( 0.0000000 0.0000000 0.0598445), wk = 0.0027778 k( 143) = ( 0.0000000 0.0000000 0.0718134), wk = 0.0027778 k( 144) = ( 0.0000000 0.0000000 0.0837824), wk = 0.0027778 k( 145) = ( 0.0000000 0.0000000 0.0957513), wk = 0.0027778 k( 146) = ( 0.0000000 0.0000000 0.1077202), wk = 0.0027778 k( 147) = ( 0.0000000 0.0000000 0.1196891), wk = 0.0027778 k( 148) = ( 0.0000000 0.0000000 0.1316580), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.1436269), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.1555958), wk = 0.0027778 k( 151) = ( 0.0000000 0.0000000 0.1675647), wk = 0.0027778 k( 152) = ( 0.0000000 0.0000000 0.1795336), wk = 0.0027778 k( 153) = ( 0.0000000 0.0000000 0.1915025), wk = 0.0027778 k( 154) = ( 0.0000000 0.0000000 0.2034714), wk = 0.0027778 k( 155) = ( 0.0000000 0.0000000 0.2154403), wk = 0.0027778 k( 156) = ( 0.0000000 0.0000000 0.2274093), wk = 0.0027778 k( 157) = ( 0.0000000 0.0000000 0.2393782), wk = 0.0027778 k( 158) = ( 0.0000000 0.0000000 0.2513471), wk = 0.0027778 k( 159) = ( 0.0000000 0.0000000 0.2513471), wk = 0.0027778 k( 160) = ( 0.0125000 -0.0000000 0.2513471), wk = 0.0027778 k( 161) = ( 0.0250000 -0.0000000 0.2513471), wk = 0.0027778 k( 162) = ( 0.0375000 -0.0000000 0.2513471), wk = 0.0027778 k( 163) = ( 0.0500000 -0.0000000 0.2513471), wk = 0.0027778 k( 164) = ( 0.0625000 -0.0000000 0.2513471), wk = 0.0027778 k( 165) = ( 0.0750000 -0.0000000 0.2513471), wk = 0.0027778 k( 166) = ( 0.0875000 -0.0000000 0.2513471), wk = 0.0027778 k( 167) = ( 0.1000000 -0.0000000 0.2513471), wk = 0.0027778 k( 168) = ( 0.1125000 -0.0000000 0.2513471), wk = 0.0027778 k( 169) = ( 0.1250000 -0.0000000 0.2513471), wk = 0.0027778 k( 170) = ( 0.1375000 -0.0000000 0.2513471), wk = 0.0027778 k( 171) = ( 0.1500000 -0.0000000 0.2513471), wk = 0.0027778 k( 172) = ( 0.1625000 -0.0000000 0.2513471), wk = 0.0027778 k( 173) = ( 0.1750000 -0.0000000 0.2513471), wk = 0.0027778 k( 174) = ( 0.1875000 -0.0000000 0.2513471), wk = 0.0027778 k( 175) = ( 0.2000000 -0.0000000 0.2513471), wk = 0.0027778 k( 176) = ( 0.2125000 -0.0000000 0.2513471), wk = 0.0027778 k( 177) = ( 0.2250000 -0.0000000 0.2513471), wk = 0.0027778 k( 178) = ( 0.2375000 -0.0000000 0.2513471), wk = 0.0027778 k( 179) = ( 0.2500000 -0.0000000 0.2513471), wk = 0.0027778 k( 180) = ( 0.2625000 -0.0000000 0.2513471), wk = 0.0027778 k( 181) = ( 0.2750000 -0.0000000 0.2513471), wk = 0.0027778 k( 182) = ( 0.2875000 -0.0000000 0.2513471), wk = 0.0027778 k( 183) = ( 0.3000000 -0.0000000 0.2513471), wk = 0.0027778 k( 184) = ( 0.3125000 -0.0000000 0.2513471), wk = 0.0027778 k( 185) = ( 0.3250000 -0.0000000 0.2513471), wk = 0.0027778 k( 186) = ( 0.3375000 -0.0000000 0.2513471), wk = 0.0027778 k( 187) = ( 0.3500000 -0.0000000 0.2513471), wk = 0.0027778 k( 188) = ( 0.3625000 -0.0000000 0.2513471), wk = 0.0027778 k( 189) = ( 0.3750000 -0.0000000 0.2513471), wk = 0.0027778 k( 190) = ( 0.3875000 -0.0000000 0.2513471), wk = 0.0027778 k( 191) = ( 0.4000000 -0.0000000 0.2513471), wk = 0.0027778 k( 192) = ( 0.4125000 -0.0000000 0.2513471), wk = 0.0027778 k( 193) = ( 0.4250000 -0.0000000 0.2513471), wk = 0.0027778 k( 194) = ( 0.4375000 -0.0000000 0.2513471), wk = 0.0027778 k( 195) = ( 0.4500000 -0.0000000 0.2513471), wk = 0.0027778 k( 196) = ( 0.4625000 -0.0000000 0.2513471), wk = 0.0027778 k( 197) = ( 0.4750000 -0.0000000 0.2513471), wk = 0.0027778 k( 198) = ( 0.4875000 -0.0000000 0.2513471), wk = 0.0027778 k( 199) = ( 0.5000000 -0.0000000 0.2513471), wk = 0.0027778 k( 200) = ( 0.5000000 -0.0000000 0.2513471), wk = 0.0027778 k( 201) = ( 0.5000000 0.0123153 0.2513471), wk = 0.0027778 k( 202) = ( 0.5000000 0.0246305 0.2513471), wk = 0.0027778 k( 203) = ( 0.5000000 0.0369458 0.2513471), wk = 0.0027778 k( 204) = ( 0.5000000 0.0492610 0.2513471), wk = 0.0027778 k( 205) = ( 0.5000000 0.0615763 0.2513471), wk = 0.0027778 k( 206) = ( 0.5000000 0.0738916 0.2513471), wk = 0.0027778 k( 207) = ( 0.5000000 0.0862068 0.2513471), wk = 0.0027778 k( 208) = ( 0.5000000 0.0985221 0.2513471), wk = 0.0027778 k( 209) = ( 0.5000000 0.1108373 0.2513471), wk = 0.0027778 k( 210) = ( 0.5000000 0.1231526 0.2513471), wk = 0.0027778 k( 211) = ( 0.5000000 0.1354679 0.2513471), wk = 0.0027778 k( 212) = ( 0.5000000 0.1477831 0.2513471), wk = 0.0027778 k( 213) = ( 0.5000000 0.1600984 0.2513471), wk = 0.0027778 k( 214) = ( 0.5000000 0.1724136 0.2513471), wk = 0.0027778 k( 215) = ( 0.5000000 0.1847289 0.2513471), wk = 0.0027778 k( 216) = ( 0.5000000 0.1970442 0.2513471), wk = 0.0027778 k( 217) = ( 0.5000000 0.2093594 0.2513471), wk = 0.0027778 k( 218) = ( 0.5000000 0.2216747 0.2513471), wk = 0.0027778 k( 219) = ( 0.5000000 0.2339900 0.2513471), wk = 0.0027778 k( 220) = ( 0.5000000 0.2463052 0.2513471), wk = 0.0027778 k( 221) = ( 0.5000000 0.2586205 0.2513471), wk = 0.0027778 k( 222) = ( 0.5000000 0.2709357 0.2513471), wk = 0.0027778 k( 223) = ( 0.5000000 0.2832510 0.2513471), wk = 0.0027778 k( 224) = ( 0.5000000 0.2955663 0.2513471), wk = 0.0027778 k( 225) = ( 0.5000000 0.3078815 0.2513471), wk = 0.0027778 k( 226) = ( 0.5000000 0.3201968 0.2513471), wk = 0.0027778 k( 227) = ( 0.5000000 0.3201968 0.2513471), wk = 0.0027778 k( 228) = ( 0.4875000 0.3201968 0.2513471), wk = 0.0027778 k( 229) = ( 0.4750000 0.3201968 0.2513471), wk = 0.0027778 k( 230) = ( 0.4625000 0.3201968 0.2513471), wk = 0.0027778 k( 231) = ( 0.4500000 0.3201968 0.2513471), wk = 0.0027778 k( 232) = ( 0.4375000 0.3201968 0.2513471), wk = 0.0027778 k( 233) = ( 0.4250000 0.3201968 0.2513471), wk = 0.0027778 k( 234) = ( 0.4125000 0.3201968 0.2513471), wk = 0.0027778 k( 235) = ( 0.4000000 0.3201968 0.2513471), wk = 0.0027778 k( 236) = ( 0.3875000 0.3201968 0.2513471), wk = 0.0027778 k( 237) = ( 0.3750000 0.3201968 0.2513471), wk = 0.0027778 k( 238) = ( 0.3625000 0.3201968 0.2513471), wk = 0.0027778 k( 239) = ( 0.3500000 0.3201968 0.2513471), wk = 0.0027778 k( 240) = ( 0.3375000 0.3201968 0.2513471), wk = 0.0027778 k( 241) = ( 0.3250000 0.3201968 0.2513471), wk = 0.0027778 k( 242) = ( 0.3125000 0.3201968 0.2513471), wk = 0.0027778 k( 243) = ( 0.3000000 0.3201968 0.2513471), wk = 0.0027778 k( 244) = ( 0.2875000 0.3201968 0.2513471), wk = 0.0027778 k( 245) = ( 0.2750000 0.3201968 0.2513471), wk = 0.0027778 k( 246) = ( 0.2625000 0.3201968 0.2513471), wk = 0.0027778 k( 247) = ( 0.2500000 0.3201968 0.2513471), wk = 0.0027778 k( 248) = ( 0.2375000 0.3201968 0.2513471), wk = 0.0027778 k( 249) = ( 0.2250000 0.3201968 0.2513471), wk = 0.0027778 k( 250) = ( 0.2125000 0.3201968 0.2513471), wk = 0.0027778 k( 251) = ( 0.2000000 0.3201968 0.2513471), wk = 0.0027778 k( 252) = ( 0.1875000 0.3201968 0.2513471), wk = 0.0027778 k( 253) = ( 0.1750000 0.3201968 0.2513471), wk = 0.0027778 k( 254) = ( 0.1625000 0.3201968 0.2513471), wk = 0.0027778 k( 255) = ( 0.1500000 0.3201968 0.2513471), wk = 0.0027778 k( 256) = ( 0.1375000 0.3201968 0.2513471), wk = 0.0027778 k( 257) = ( 0.1250000 0.3201968 0.2513471), wk = 0.0027778 k( 258) = ( 0.1125000 0.3201968 0.2513471), wk = 0.0027778 k( 259) = ( 0.1000000 0.3201968 0.2513471), wk = 0.0027778 k( 260) = ( 0.0875000 0.3201968 0.2513471), wk = 0.0027778 k( 261) = ( 0.0750000 0.3201968 0.2513471), wk = 0.0027778 k( 262) = ( 0.0625000 0.3201968 0.2513471), wk = 0.0027778 k( 263) = ( 0.0500000 0.3201968 0.2513471), wk = 0.0027778 k( 264) = ( 0.0375000 0.3201968 0.2513471), wk = 0.0027778 k( 265) = ( 0.0250000 0.3201968 0.2513471), wk = 0.0027778 k( 266) = ( 0.0125000 0.3201968 0.2513471), wk = 0.0027778 k( 267) = ( 0.0000000 0.3201968 0.2513471), wk = 0.0027778 k( 268) = ( 0.0000000 0.3201968 0.2513471), wk = 0.0027778 k( 269) = ( 0.0000000 0.3078815 0.2513471), wk = 0.0027778 k( 270) = ( 0.0000000 0.2955663 0.2513471), wk = 0.0027778 k( 271) = ( 0.0000000 0.2832510 0.2513471), wk = 0.0027778 k( 272) = ( 0.0000000 0.2709357 0.2513471), wk = 0.0027778 k( 273) = ( 0.0000000 0.2586205 0.2513471), wk = 0.0027778 k( 274) = ( 0.0000000 0.2463052 0.2513471), wk = 0.0027778 k( 275) = ( 0.0000000 0.2339900 0.2513471), wk = 0.0027778 k( 276) = ( 0.0000000 0.2216747 0.2513471), wk = 0.0027778 k( 277) = ( 0.0000000 0.2093594 0.2513471), wk = 0.0027778 k( 278) = ( 0.0000000 0.1970442 0.2513471), wk = 0.0027778 k( 279) = ( 0.0000000 0.1847289 0.2513471), wk = 0.0027778 k( 280) = ( 0.0000000 0.1724136 0.2513471), wk = 0.0027778 k( 281) = ( 0.0000000 0.1600984 0.2513471), wk = 0.0027778 k( 282) = ( 0.0000000 0.1477831 0.2513471), wk = 0.0027778 k( 283) = ( 0.0000000 0.1354679 0.2513471), wk = 0.0027778 k( 284) = ( 0.0000000 0.1231526 0.2513471), wk = 0.0027778 k( 285) = ( 0.0000000 0.1108373 0.2513471), wk = 0.0027778 k( 286) = ( 0.0000000 0.0985221 0.2513471), wk = 0.0027778 k( 287) = ( 0.0000000 0.0862068 0.2513471), wk = 0.0027778 k( 288) = ( 0.0000000 0.0738916 0.2513471), wk = 0.0027778 k( 289) = ( 0.0000000 0.0615763 0.2513471), wk = 0.0027778 k( 290) = ( 0.0000000 0.0492610 0.2513471), wk = 0.0027778 k( 291) = ( 0.0000000 0.0369458 0.2513471), wk = 0.0027778 k( 292) = ( 0.0000000 0.0246305 0.2513471), wk = 0.0027778 k( 293) = ( 0.0000000 0.0123153 0.2513471), wk = 0.0027778 k( 294) = ( 0.0000000 0.0000000 0.2513471), wk = 0.0027778 k( 295) = ( 0.0000000 0.3201968 -0.0000000), wk = 0.0027778 k( 296) = ( 0.0000000 0.3201968 0.0119689), wk = 0.0027778 k( 297) = ( 0.0000000 0.3201968 0.0239378), wk = 0.0027778 k( 298) = ( 0.0000000 0.3201968 0.0359067), wk = 0.0027778 k( 299) = ( 0.0000000 0.3201968 0.0478756), wk = 0.0027778 k( 300) = ( 0.0000000 0.3201968 0.0598445), wk = 0.0027778 k( 301) = ( 0.0000000 0.3201968 0.0718134), wk = 0.0027778 k( 302) = ( 0.0000000 0.3201968 0.0837824), wk = 0.0027778 k( 303) = ( 0.0000000 0.3201968 0.0957513), wk = 0.0027778 k( 304) = ( 0.0000000 0.3201968 0.1077202), wk = 0.0027778 k( 305) = ( 0.0000000 0.3201968 0.1196891), wk = 0.0027778 k( 306) = ( 0.0000000 0.3201968 0.1316580), wk = 0.0027778 k( 307) = ( 0.0000000 0.3201968 0.1436269), wk = 0.0027778 k( 308) = ( 0.0000000 0.3201968 0.1555958), wk = 0.0027778 k( 309) = ( 0.0000000 0.3201968 0.1675647), wk = 0.0027778 k( 310) = ( 0.0000000 0.3201968 0.1795336), wk = 0.0027778 k( 311) = ( 0.0000000 0.3201968 0.1915025), wk = 0.0027778 k( 312) = ( 0.0000000 0.3201968 0.2034714), wk = 0.0027778 k( 313) = ( 0.0000000 0.3201968 0.2154403), wk = 0.0027778 k( 314) = ( 0.0000000 0.3201968 0.2274093), wk = 0.0027778 k( 315) = ( 0.0000000 0.3201968 0.2393782), wk = 0.0027778 k( 316) = ( 0.0000000 0.3201968 0.2513471), wk = 0.0027778 k( 317) = ( 0.5000000 -0.0000000 0.2513471), wk = 0.0027778 k( 318) = ( 0.5000000 -0.0000000 0.2393782), wk = 0.0027778 k( 319) = ( 0.5000000 -0.0000000 0.2274093), wk = 0.0027778 k( 320) = ( 0.5000000 -0.0000000 0.2154403), wk = 0.0027778 k( 321) = ( 0.5000000 -0.0000000 0.2034714), wk = 0.0027778 k( 322) = ( 0.5000000 -0.0000000 0.1915025), wk = 0.0027778 k( 323) = ( 0.5000000 -0.0000000 0.1795336), wk = 0.0027778 k( 324) = ( 0.5000000 -0.0000000 0.1675647), wk = 0.0027778 k( 325) = ( 0.5000000 -0.0000000 0.1555958), wk = 0.0027778 k( 326) = ( 0.5000000 -0.0000000 0.1436269), wk = 0.0027778 k( 327) = ( 0.5000000 -0.0000000 0.1316580), wk = 0.0027778 k( 328) = ( 0.5000000 -0.0000000 0.1196891), wk = 0.0027778 k( 329) = ( 0.5000000 -0.0000000 0.1077202), wk = 0.0027778 k( 330) = ( 0.5000000 -0.0000000 0.0957513), wk = 0.0027778 k( 331) = ( 0.5000000 -0.0000000 0.0837824), wk = 0.0027778 k( 332) = ( 0.5000000 -0.0000000 0.0718134), wk = 0.0027778 k( 333) = ( 0.5000000 -0.0000000 0.0598445), wk = 0.0027778 k( 334) = ( 0.5000000 -0.0000000 0.0478756), wk = 0.0027778 k( 335) = ( 0.5000000 -0.0000000 0.0359067), wk = 0.0027778 k( 336) = ( 0.5000000 -0.0000000 0.0239378), wk = 0.0027778 k( 337) = ( 0.5000000 -0.0000000 0.0119689), wk = 0.0027778 k( 338) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0027778 k( 339) = ( 0.5000000 0.3201968 -0.0000000), wk = 0.0027778 k( 340) = ( 0.5000000 0.3201968 0.0119689), wk = 0.0027778 k( 341) = ( 0.5000000 0.3201968 0.0239378), wk = 0.0027778 k( 342) = ( 0.5000000 0.3201968 0.0359067), wk = 0.0027778 k( 343) = ( 0.5000000 0.3201968 0.0478756), wk = 0.0027778 k( 344) = ( 0.5000000 0.3201968 0.0598445), wk = 0.0027778 k( 345) = ( 0.5000000 0.3201968 0.0718134), wk = 0.0027778 k( 346) = ( 0.5000000 0.3201968 0.0837824), wk = 0.0027778 k( 347) = ( 0.5000000 0.3201968 0.0957513), wk = 0.0027778 k( 348) = ( 0.5000000 0.3201968 0.1077202), wk = 0.0027778 k( 349) = ( 0.5000000 0.3201968 0.1196891), wk = 0.0027778 k( 350) = ( 0.5000000 0.3201968 0.1316580), wk = 0.0027778 k( 351) = ( 0.5000000 0.3201968 0.1436269), wk = 0.0027778 k( 352) = ( 0.5000000 0.3201968 0.1555958), wk = 0.0027778 k( 353) = ( 0.5000000 0.3201968 0.1675647), wk = 0.0027778 k( 354) = ( 0.5000000 0.3201968 0.1795336), wk = 0.0027778 k( 355) = ( 0.5000000 0.3201968 0.1915025), wk = 0.0027778 k( 356) = ( 0.5000000 0.3201968 0.2034714), wk = 0.0027778 k( 357) = ( 0.5000000 0.3201968 0.2154403), wk = 0.0027778 k( 358) = ( 0.5000000 0.3201968 0.2274093), wk = 0.0027778 k( 359) = ( 0.5000000 0.3201968 0.2393782), wk = 0.0027778 k( 360) = ( 0.5000000 0.3201968 0.2513471), wk = 0.0027778 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 2) = ( 0.0125000 -0.0000000 0.0000000), wk = 0.0027778 k( 3) = ( 0.0250000 -0.0000000 0.0000000), wk = 0.0027778 k( 4) = ( 0.0375000 -0.0000000 0.0000000), wk = 0.0027778 k( 5) = ( 0.0500000 -0.0000000 0.0000000), wk = 0.0027778 k( 6) = ( 0.0625000 -0.0000000 0.0000000), wk = 0.0027778 k( 7) = ( 0.0750000 -0.0000000 0.0000000), wk = 0.0027778 k( 8) = ( 0.0875000 -0.0000000 0.0000000), wk = 0.0027778 k( 9) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0027778 k( 10) = ( 0.1125000 -0.0000000 0.0000000), wk = 0.0027778 k( 11) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0027778 k( 12) = ( 0.1375000 -0.0000000 0.0000000), wk = 0.0027778 k( 13) = ( 0.1500000 -0.0000000 0.0000000), wk = 0.0027778 k( 14) = ( 0.1625000 -0.0000000 0.0000000), wk = 0.0027778 k( 15) = ( 0.1750000 -0.0000000 0.0000000), wk = 0.0027778 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0027778 k( 17) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0027778 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0027778 k( 19) = ( 0.2250000 -0.0000000 0.0000000), wk = 0.0027778 k( 20) = ( 0.2375000 -0.0000000 0.0000000), wk = 0.0027778 k( 21) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0027778 k( 22) = ( 0.2625000 -0.0000000 0.0000000), wk = 0.0027778 k( 23) = ( 0.2750000 -0.0000000 0.0000000), wk = 0.0027778 k( 24) = ( 0.2875000 -0.0000000 0.0000000), wk = 0.0027778 k( 25) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0027778 k( 26) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0027778 k( 27) = ( 0.3250000 -0.0000000 0.0000000), wk = 0.0027778 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0027778 k( 29) = ( 0.3500000 -0.0000000 0.0000000), wk = 0.0027778 k( 30) = ( 0.3625000 -0.0000000 0.0000000), wk = 0.0027778 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0027778 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0027778 k( 33) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0027778 k( 34) = ( 0.4125000 -0.0000000 0.0000000), wk = 0.0027778 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0027778 k( 36) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0027778 k( 37) = ( 0.4500000 -0.0000000 0.0000000), wk = 0.0027778 k( 38) = ( 0.4625000 -0.0000000 0.0000000), wk = 0.0027778 k( 39) = ( 0.4750000 -0.0000000 0.0000000), wk = 0.0027778 k( 40) = ( 0.4875000 -0.0000000 0.0000000), wk = 0.0027778 k( 41) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027778 k( 42) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027778 k( 43) = ( 0.5000000 0.0192308 -0.0000000), wk = 0.0027778 k( 44) = ( 0.5000000 0.0384615 0.0000000), wk = 0.0027778 k( 45) = ( 0.5000000 0.0576923 0.0000000), wk = 0.0027778 k( 46) = ( 0.5000000 0.0769231 0.0000000), wk = 0.0027778 k( 47) = ( 0.5000000 0.0961539 0.0000000), wk = 0.0027778 k( 48) = ( 0.5000000 0.1153846 -0.0000000), wk = 0.0027778 k( 49) = ( 0.5000000 0.1346154 0.0000000), wk = 0.0027778 k( 50) = ( 0.5000000 0.1538461 0.0000000), wk = 0.0027778 k( 51) = ( 0.5000000 0.1730769 0.0000000), wk = 0.0027778 k( 52) = ( 0.5000000 0.1923077 -0.0000000), wk = 0.0027778 k( 53) = ( 0.5000000 0.2115385 0.0000000), wk = 0.0027778 k( 54) = ( 0.5000000 0.2307692 0.0000000), wk = 0.0027778 k( 55) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0027778 k( 56) = ( 0.5000000 0.2692308 -0.0000000), wk = 0.0027778 k( 57) = ( 0.5000000 0.2884615 -0.0000000), wk = 0.0027778 k( 58) = ( 0.5000000 0.3076923 0.0000000), wk = 0.0027778 k( 59) = ( 0.5000000 0.3269231 0.0000000), wk = 0.0027778 k( 60) = ( 0.5000000 0.3461538 -0.0000000), wk = 0.0027778 k( 61) = ( 0.5000000 0.3653846 -0.0000000), wk = 0.0027778 k( 62) = ( 0.5000000 0.3846154 0.0000000), wk = 0.0027778 k( 63) = ( 0.5000000 0.4038462 0.0000000), wk = 0.0027778 k( 64) = ( 0.5000000 0.4230769 0.0000000), wk = 0.0027778 k( 65) = ( 0.5000000 0.4423077 0.0000000), wk = 0.0027778 k( 66) = ( 0.5000000 0.4615385 0.0000000), wk = 0.0027778 k( 67) = ( 0.5000000 0.4807692 0.0000000), wk = 0.0027778 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 70) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0027778 k( 71) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0027778 k( 72) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0027778 k( 73) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0027778 k( 74) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0027778 k( 75) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0027778 k( 76) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0027778 k( 77) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0027778 k( 78) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0027778 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027778 k( 80) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0027778 k( 81) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0027778 k( 82) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0027778 k( 83) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0027778 k( 84) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0027778 k( 85) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0027778 k( 86) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0027778 k( 87) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0027778 k( 88) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0027778 k( 89) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027778 k( 90) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0027778 k( 91) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0027778 k( 92) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0027778 k( 93) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0027778 k( 94) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0027778 k( 95) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0027778 k( 96) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0027778 k( 97) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0027778 k( 98) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0027778 k( 99) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027778 k( 100) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0027778 k( 101) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0027778 k( 102) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0027778 k( 103) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0027778 k( 104) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0027778 k( 105) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0027778 k( 106) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0027778 k( 107) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0027778 k( 108) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0027778 k( 109) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 110) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 111) = ( 0.0000000 0.4807692 0.0000000), wk = 0.0027778 k( 112) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0027778 k( 113) = ( 0.0000000 0.4423077 0.0000000), wk = 0.0027778 k( 114) = ( 0.0000000 0.4230769 0.0000000), wk = 0.0027778 k( 115) = ( 0.0000000 0.4038462 0.0000000), wk = 0.0027778 k( 116) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0027778 k( 117) = ( 0.0000000 0.3653846 0.0000000), wk = 0.0027778 k( 118) = ( 0.0000000 0.3461539 -0.0000000), wk = 0.0027778 k( 119) = ( 0.0000000 0.3269231 0.0000000), wk = 0.0027778 k( 120) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0027778 k( 121) = ( 0.0000000 0.2884615 0.0000000), wk = 0.0027778 k( 122) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0027778 k( 123) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027778 k( 124) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0027778 k( 125) = ( 0.0000000 0.2115385 0.0000000), wk = 0.0027778 k( 126) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0027778 k( 127) = ( 0.0000000 0.1730769 -0.0000000), wk = 0.0027778 k( 128) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0027778 k( 129) = ( 0.0000000 0.1346154 0.0000000), wk = 0.0027778 k( 130) = ( 0.0000000 0.1153846 0.0000000), wk = 0.0027778 k( 131) = ( 0.0000000 0.0961539 0.0000000), wk = 0.0027778 k( 132) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0027778 k( 133) = ( 0.0000000 0.0576923 0.0000000), wk = 0.0027778 k( 134) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0027778 k( 135) = ( 0.0000000 0.0192308 0.0000000), wk = 0.0027778 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 137) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027778 k( 138) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0027778 k( 139) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0027778 k( 140) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027778 k( 141) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0027778 k( 142) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0027778 k( 143) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027778 k( 144) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027778 k( 145) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0027778 k( 146) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027778 k( 147) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0027778 k( 148) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0027778 k( 149) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027778 k( 150) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0027778 k( 151) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027778 k( 152) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027778 k( 153) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0027778 k( 154) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0027778 k( 155) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027778 k( 156) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0027778 k( 157) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0027778 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 160) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0027778 k( 161) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0027778 k( 162) = ( 0.0375000 -0.0000000 0.5000000), wk = 0.0027778 k( 163) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0027778 k( 164) = ( 0.0625000 -0.0000000 0.5000000), wk = 0.0027778 k( 165) = ( 0.0750000 -0.0000000 0.5000000), wk = 0.0027778 k( 166) = ( 0.0875000 -0.0000000 0.5000000), wk = 0.0027778 k( 167) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0027778 k( 168) = ( 0.1125000 -0.0000000 0.5000000), wk = 0.0027778 k( 169) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0027778 k( 170) = ( 0.1375000 -0.0000000 0.5000000), wk = 0.0027778 k( 171) = ( 0.1500000 -0.0000000 0.5000000), wk = 0.0027778 k( 172) = ( 0.1625000 -0.0000000 0.5000000), wk = 0.0027778 k( 173) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0027778 k( 174) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0027778 k( 175) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0027778 k( 176) = ( 0.2125000 0.0000000 0.5000000), wk = 0.0027778 k( 177) = ( 0.2250000 -0.0000000 0.5000000), wk = 0.0027778 k( 178) = ( 0.2375000 -0.0000000 0.5000000), wk = 0.0027778 k( 179) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0027778 k( 180) = ( 0.2625000 -0.0000000 0.5000000), wk = 0.0027778 k( 181) = ( 0.2750000 -0.0000000 0.5000000), wk = 0.0027778 k( 182) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0027778 k( 183) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0027778 k( 184) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0027778 k( 185) = ( 0.3250000 -0.0000000 0.5000000), wk = 0.0027778 k( 186) = ( 0.3375000 -0.0000000 0.5000000), wk = 0.0027778 k( 187) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0027778 k( 188) = ( 0.3625000 -0.0000000 0.5000000), wk = 0.0027778 k( 189) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0027778 k( 190) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0027778 k( 191) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0027778 k( 192) = ( 0.4125000 -0.0000000 0.5000000), wk = 0.0027778 k( 193) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0027778 k( 194) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0027778 k( 195) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0027778 k( 196) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0027778 k( 197) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0027778 k( 198) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0027778 k( 199) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027778 k( 200) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027778 k( 201) = ( 0.5000000 0.0192308 0.5000000), wk = 0.0027778 k( 202) = ( 0.5000000 0.0384615 0.5000000), wk = 0.0027778 k( 203) = ( 0.5000000 0.0576923 0.5000000), wk = 0.0027778 k( 204) = ( 0.5000000 0.0769231 0.5000000), wk = 0.0027778 k( 205) = ( 0.5000000 0.0961539 0.5000000), wk = 0.0027778 k( 206) = ( 0.5000000 0.1153846 0.5000000), wk = 0.0027778 k( 207) = ( 0.5000000 0.1346154 0.5000000), wk = 0.0027778 k( 208) = ( 0.5000000 0.1538461 0.5000000), wk = 0.0027778 k( 209) = ( 0.5000000 0.1730769 0.5000000), wk = 0.0027778 k( 210) = ( 0.5000000 0.1923077 0.5000000), wk = 0.0027778 k( 211) = ( 0.5000000 0.2115385 0.5000000), wk = 0.0027778 k( 212) = ( 0.5000000 0.2307692 0.5000000), wk = 0.0027778 k( 213) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0027778 k( 214) = ( 0.5000000 0.2692308 0.5000000), wk = 0.0027778 k( 215) = ( 0.5000000 0.2884615 0.5000000), wk = 0.0027778 k( 216) = ( 0.5000000 0.3076923 0.5000000), wk = 0.0027778 k( 217) = ( 0.5000000 0.3269231 0.5000000), wk = 0.0027778 k( 218) = ( 0.5000000 0.3461538 0.5000000), wk = 0.0027778 k( 219) = ( 0.5000000 0.3653846 0.5000000), wk = 0.0027778 k( 220) = ( 0.5000000 0.3846154 0.5000000), wk = 0.0027778 k( 221) = ( 0.5000000 0.4038462 0.5000000), wk = 0.0027778 k( 222) = ( 0.5000000 0.4230769 0.5000000), wk = 0.0027778 k( 223) = ( 0.5000000 0.4423077 0.5000000), wk = 0.0027778 k( 224) = ( 0.5000000 0.4615385 0.5000000), wk = 0.0027778 k( 225) = ( 0.5000000 0.4807692 0.5000000), wk = 0.0027778 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 227) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 k( 228) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0027778 k( 229) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0027778 k( 230) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0027778 k( 231) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0027778 k( 232) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0027778 k( 233) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0027778 k( 234) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0027778 k( 235) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0027778 k( 236) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0027778 k( 237) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0027778 k( 238) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0027778 k( 239) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0027778 k( 240) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0027778 k( 241) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0027778 k( 242) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0027778 k( 243) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0027778 k( 244) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0027778 k( 245) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0027778 k( 246) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0027778 k( 247) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027778 k( 248) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0027778 k( 249) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0027778 k( 250) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0027778 k( 251) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0027778 k( 252) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0027778 k( 253) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0027778 k( 254) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0027778 k( 255) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0027778 k( 256) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0027778 k( 257) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0027778 k( 258) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0027778 k( 259) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0027778 k( 260) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0027778 k( 261) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0027778 k( 262) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0027778 k( 263) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0027778 k( 264) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0027778 k( 265) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0027778 k( 266) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0027778 k( 267) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778 k( 268) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778 k( 269) = ( 0.0000000 0.4807692 0.5000000), wk = 0.0027778 k( 270) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0027778 k( 271) = ( 0.0000000 0.4423077 0.5000000), wk = 0.0027778 k( 272) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0027778 k( 273) = ( 0.0000000 0.4038462 0.5000000), wk = 0.0027778 k( 274) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0027778 k( 275) = ( 0.0000000 0.3653846 0.5000000), wk = 0.0027778 k( 276) = ( 0.0000000 0.3461539 0.5000000), wk = 0.0027778 k( 277) = ( 0.0000000 0.3269231 0.5000000), wk = 0.0027778 k( 278) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0027778 k( 279) = ( 0.0000000 0.2884615 0.5000000), wk = 0.0027778 k( 280) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0027778 k( 281) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027778 k( 282) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0027778 k( 283) = ( 0.0000000 0.2115385 0.5000000), wk = 0.0027778 k( 284) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0027778 k( 285) = ( 0.0000000 0.1730769 0.5000000), wk = 0.0027778 k( 286) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0027778 k( 287) = ( 0.0000000 0.1346154 0.5000000), wk = 0.0027778 k( 288) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0027778 k( 289) = ( 0.0000000 0.0961539 0.5000000), wk = 0.0027778 k( 290) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0027778 k( 291) = ( 0.0000000 0.0576923 0.5000000), wk = 0.0027778 k( 292) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0027778 k( 293) = ( 0.0000000 0.0192308 0.5000000), wk = 0.0027778 k( 294) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027778 k( 295) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027778 k( 296) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0027778 k( 297) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0027778 k( 298) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0027778 k( 299) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0027778 k( 300) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0027778 k( 301) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0027778 k( 302) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0027778 k( 303) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0027778 k( 304) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0027778 k( 305) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0027778 k( 306) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0027778 k( 307) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0027778 k( 308) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0027778 k( 309) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0027778 k( 310) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0027778 k( 311) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0027778 k( 312) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0027778 k( 313) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0027778 k( 314) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0027778 k( 315) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0027778 k( 316) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027778 k( 317) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027778 k( 318) = ( 0.5000000 -0.0000000 0.4761905), wk = 0.0027778 k( 319) = ( 0.5000000 -0.0000000 0.4523810), wk = 0.0027778 k( 320) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0027778 k( 321) = ( 0.5000000 -0.0000000 0.4047619), wk = 0.0027778 k( 322) = ( 0.5000000 -0.0000000 0.3809524), wk = 0.0027778 k( 323) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0027778 k( 324) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0027778 k( 325) = ( 0.5000000 -0.0000000 0.3095238), wk = 0.0027778 k( 326) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0027778 k( 327) = ( 0.5000000 -0.0000000 0.2619048), wk = 0.0027778 k( 328) = ( 0.5000000 -0.0000000 0.2380952), wk = 0.0027778 k( 329) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0027778 k( 330) = ( 0.5000000 -0.0000000 0.1904762), wk = 0.0027778 k( 331) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0027778 k( 332) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0027778 k( 333) = ( 0.5000000 -0.0000000 0.1190476), wk = 0.0027778 k( 334) = ( 0.5000000 -0.0000000 0.0952381), wk = 0.0027778 k( 335) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0027778 k( 336) = ( 0.5000000 -0.0000000 0.0476191), wk = 0.0027778 k( 337) = ( 0.5000000 -0.0000000 0.0238095), wk = 0.0027778 k( 338) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0027778 k( 339) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027778 k( 340) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0027778 k( 341) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0027778 k( 342) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0027778 k( 343) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0027778 k( 344) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0027778 k( 345) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0027778 k( 346) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0027778 k( 347) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0027778 k( 348) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0027778 k( 349) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0027778 k( 350) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0027778 k( 351) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0027778 k( 352) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0027778 k( 353) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0027778 k( 354) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0027778 k( 355) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0027778 k( 356) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0027778 k( 357) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0027778 k( 358) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0027778 k( 359) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0027778 k( 360) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027778 Dense grid: 180801 G-vectors FFT dimensions: ( 50, 75, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.95 Mb ( 1296, 48) NL pseudopotentials 1.98 Mb ( 648, 200) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.04 Mb ( 5023) G-vector shells 0.02 Mb ( 2512) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.80 Mb ( 1296, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.29 Mb ( 200, 2, 48) The potential is recalculated from file : ./LiHS.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.4 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 10.2 secs Computing kpt #: 7 total cpu time spent up to now is 11.6 secs Computing kpt #: 8 total cpu time spent up to now is 13.0 secs Computing kpt #: 9 total cpu time spent up to now is 14.5 secs Computing kpt #: 10 total cpu time spent up to now is 15.9 secs Computing kpt #: 11 total cpu time spent up to now is 17.3 secs Computing kpt #: 12 total cpu time spent up to now is 18.7 secs Computing kpt #: 13 total cpu time spent up to now is 20.1 secs Computing kpt #: 14 total cpu time spent up to now is 21.6 secs Computing kpt #: 15 total cpu time spent up to now is 23.0 secs Computing kpt #: 16 total cpu time spent up to now is 24.3 secs Computing kpt #: 17 total cpu time spent up to now is 25.8 secs Computing kpt #: 18 total cpu time spent up to now is 27.3 secs Computing kpt #: 19 total cpu time spent up to now is 28.7 secs Computing kpt #: 20 total cpu time spent up to now is 30.2 secs Computing kpt #: 21 total cpu time spent up to now is 31.5 secs Computing kpt #: 22 total cpu time spent up to now is 32.7 secs Computing kpt #: 23 total cpu time spent up to now is 33.8 secs Computing kpt #: 24 total cpu time spent up to now is 35.0 secs Computing kpt #: 25 total cpu time spent up to now is 36.2 secs Computing kpt #: 26 total cpu time spent up to now is 37.4 secs Computing kpt #: 27 total cpu time spent up to now is 38.6 secs Computing kpt #: 28 total cpu time spent up to now is 39.8 secs Computing kpt #: 29 total cpu time spent up to now is 41.0 secs Computing kpt #: 30 total cpu time spent up to now is 42.2 secs Computing kpt #: 31 total cpu time spent up to now is 43.4 secs Computing kpt #: 32 total cpu time spent up to now is 44.6 secs Computing kpt #: 33 total cpu time spent up to now is 45.9 secs Computing kpt #: 34 total cpu time spent up to now is 47.1 secs Computing kpt #: 35 total cpu time spent up to now is 48.3 secs Computing kpt #: 36 total cpu time spent up to now is 49.7 secs Computing kpt #: 37 total cpu time spent up to now is 50.9 secs Computing kpt #: 38 total cpu time spent up to now is 52.1 secs Computing kpt #: 39 total cpu time spent up to now is 54.1 secs Computing kpt #: 40 total cpu time spent up to now is 56.1 secs Computing kpt #: 41 total cpu time spent up to now is 58.4 secs Computing kpt #: 42 total cpu time spent up to now is 60.4 secs Computing kpt #: 43 total cpu time spent up to now is 62.7 secs Computing kpt #: 44 total cpu time spent up to now is 64.9 secs Computing kpt #: 45 total cpu time spent up to now is 67.3 secs Computing kpt #: 46 total cpu time spent up to now is 69.4 secs Computing kpt #: 47 total cpu time spent up to now is 71.3 secs Computing kpt #: 48 total cpu time spent up to now is 73.1 secs Computing kpt #: 49 total cpu time spent up to now is 74.8 secs Computing kpt #: 50 total cpu time spent up to now is 76.4 secs Computing kpt #: 51 total cpu time spent up to now is 77.9 secs Computing kpt #: 52 total cpu time spent up to now is 79.3 secs Computing kpt #: 53 total cpu time spent up to now is 80.8 secs Computing kpt #: 54 total cpu time spent up to now is 82.3 secs Computing kpt #: 55 total cpu time spent up to now is 83.8 secs Computing kpt #: 56 total cpu time spent up to now is 85.3 secs Computing kpt #: 57 total cpu time spent up to now is 86.8 secs Computing kpt #: 58 total cpu time spent up to now is 88.3 secs Computing kpt #: 59 total cpu time spent up to now is 89.7 secs Computing kpt #: 60 total cpu time spent up to now is 91.3 secs Computing kpt #: 61 total cpu time spent up to now is 92.8 secs Computing kpt #: 62 total cpu time spent up to now is 94.3 secs Computing kpt #: 63 total cpu time spent up to now is 95.7 secs Computing kpt #: 64 total cpu time spent up to now is 97.3 secs Computing kpt #: 65 total cpu time spent up to now is 98.7 secs Computing kpt #: 66 total cpu time spent up to now is 100.2 secs Computing kpt #: 67 total cpu time spent up to now is 101.8 secs Computing kpt #: 68 total cpu time spent up to now is 103.3 secs Computing kpt #: 69 total cpu time spent up to now is 104.7 secs Computing kpt #: 70 total cpu time spent up to now is 106.2 secs Computing kpt #: 71 total cpu time spent up to now is 107.7 secs Computing kpt #: 72 total cpu time spent up to now is 109.2 secs Computing kpt #: 73 total cpu time spent up to now is 110.7 secs Computing kpt #: 74 total cpu time spent up to now is 112.3 secs Computing kpt #: 75 total cpu time spent up to now is 113.8 secs Computing kpt #: 76 total cpu time spent up to now is 115.3 secs Computing kpt #: 77 total cpu time spent up to now is 116.8 secs Computing kpt #: 78 total cpu time spent up to now is 118.4 secs Computing kpt #: 79 total cpu time spent up to now is 119.9 secs Computing kpt #: 80 total cpu time spent up to now is 121.4 secs Computing kpt #: 81 total cpu time spent up to now is 122.9 secs Computing kpt #: 82 total cpu time spent up to now is 124.5 secs Computing kpt #: 83 total cpu time spent up to now is 126.0 secs Computing kpt #: 84 total cpu time spent up to now is 127.6 secs Computing kpt #: 85 total cpu time spent up to now is 129.1 secs Computing kpt #: 86 total cpu time spent up to now is 130.7 secs Computing kpt #: 87 total cpu time spent up to now is 132.3 secs Computing kpt #: 88 total cpu time spent up to now is 133.8 secs Computing kpt #: 89 total cpu time spent up to now is 135.3 secs Computing kpt #: 90 total cpu time spent up to now is 136.8 secs Computing kpt #: 91 total cpu time spent up to now is 138.4 secs Computing kpt #: 92 total cpu time spent up to now is 139.9 secs Computing kpt #: 93 total cpu time spent up to now is 141.4 secs Computing kpt #: 94 total cpu time spent up to now is 143.0 secs Computing kpt #: 95 total cpu time spent up to now is 144.5 secs Computing kpt #: 96 total cpu time spent up to now is 146.0 secs Computing kpt #: 97 total cpu time spent up to now is 148.0 secs Computing kpt #: 98 total cpu time spent up to now is 149.5 secs Computing kpt #: 99 total cpu time spent up to now is 151.0 secs Computing kpt #: 100 total cpu time spent up to now is 152.4 secs Computing kpt #: 101 total cpu time spent up to now is 153.9 secs Computing kpt #: 102 total cpu time spent up to now is 155.3 secs Computing kpt #: 103 total cpu time spent up to now is 156.8 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 160.0 secs Computing kpt #: 105 total cpu time spent up to now is 161.5 secs Computing kpt #: 106 total cpu time spent up to now is 163.0 secs Computing kpt #: 107 total cpu time spent up to now is 164.5 secs Computing kpt #: 108 total cpu time spent up to now is 165.9 secs Computing kpt #: 109 total cpu time spent up to now is 167.3 secs Computing kpt #: 110 total cpu time spent up to now is 168.7 secs Computing kpt #: 111 total cpu time spent up to now is 170.1 secs Computing kpt #: 112 total cpu time spent up to now is 171.6 secs Computing kpt #: 113 total cpu time spent up to now is 173.1 secs Computing kpt #: 114 total cpu time spent up to now is 174.5 secs Computing kpt #: 115 total cpu time spent up to now is 176.0 secs Computing kpt #: 116 total cpu time spent up to now is 177.4 secs Computing kpt #: 117 total cpu time spent up to now is 178.9 secs Computing kpt #: 118 total cpu time spent up to now is 180.3 secs Computing kpt #: 119 total cpu time spent up to now is 181.7 secs Computing kpt #: 120 total cpu time spent up to now is 183.2 secs Computing kpt #: 121 total cpu time spent up to now is 184.6 secs Computing kpt #: 122 total cpu time spent up to now is 186.1 secs Computing kpt #: 123 total cpu time spent up to now is 187.5 secs Computing kpt #: 124 total cpu time spent up to now is 188.9 secs Computing kpt #: 125 total cpu time spent up to now is 190.3 secs Computing kpt #: 126 total cpu time spent up to now is 191.7 secs Computing kpt #: 127 total cpu time spent up to now is 193.1 secs Computing kpt #: 128 total cpu time spent up to now is 194.6 secs Computing kpt #: 129 total cpu time spent up to now is 196.0 secs Computing kpt #: 130 total cpu time spent up to now is 197.5 secs Computing kpt #: 131 total cpu time spent up to now is 198.9 secs Computing kpt #: 132 total cpu time spent up to now is 200.3 secs Computing kpt #: 133 total cpu time spent up to now is 201.7 secs Computing kpt #: 134 total cpu time spent up to now is 203.1 secs Computing kpt #: 135 total cpu time spent up to now is 204.5 secs Computing kpt #: 136 total cpu time spent up to now is 205.9 secs Computing kpt #: 137 total cpu time spent up to now is 207.1 secs Computing kpt #: 138 total cpu time spent up to now is 208.5 secs Computing kpt #: 139 total cpu time spent up to now is 209.9 secs Computing kpt #: 140 total cpu time spent up to now is 211.1 secs Computing kpt #: 141 total cpu time spent up to now is 212.5 secs Computing kpt #: 142 total cpu time spent up to now is 213.8 secs Computing kpt #: 143 total cpu time spent up to now is 215.1 secs Computing kpt #: 144 total cpu time spent up to now is 216.3 secs Computing kpt #: 145 total cpu time spent up to now is 217.7 secs Computing kpt #: 146 total cpu time spent up to now is 219.1 secs Computing kpt #: 147 total cpu time spent up to now is 220.6 secs Computing kpt #: 148 total cpu time spent up to now is 222.0 secs Computing kpt #: 149 total cpu time spent up to now is 223.5 secs Computing kpt #: 150 total cpu time spent up to now is 224.9 secs Computing kpt #: 151 total cpu time spent up to now is 226.1 secs Computing kpt #: 152 total cpu time spent up to now is 227.3 secs Computing kpt #: 153 total cpu time spent up to now is 228.5 secs Computing kpt #: 154 total cpu time spent up to now is 229.7 secs Computing kpt #: 155 total cpu time spent up to now is 230.9 secs Computing kpt #: 156 total cpu time spent up to now is 232.1 secs Computing kpt #: 157 total cpu time spent up to now is 233.3 secs Computing kpt #: 158 total cpu time spent up to now is 234.5 secs Computing kpt #: 159 total cpu time spent up to now is 235.7 secs Computing kpt #: 160 total cpu time spent up to now is 236.9 secs Computing kpt #: 161 total cpu time spent up to now is 238.1 secs Computing kpt #: 162 total cpu time spent up to now is 239.3 secs Computing kpt #: 163 total cpu time spent up to now is 240.5 secs Computing kpt #: 164 total cpu time spent up to now is 241.6 secs Computing kpt #: 165 total cpu time spent up to now is 242.9 secs Computing kpt #: 166 total cpu time spent up to now is 244.1 secs Computing kpt #: 167 total cpu time spent up to now is 245.3 secs Computing kpt #: 168 total cpu time spent up to now is 246.5 secs Computing kpt #: 169 total cpu time spent up to now is 247.7 secs Computing kpt #: 170 total cpu time spent up to now is 249.0 secs Computing kpt #: 171 total cpu time spent up to now is 250.2 secs Computing kpt #: 172 total cpu time spent up to now is 251.4 secs Computing kpt #: 173 total cpu time spent up to now is 252.7 secs Computing kpt #: 174 total cpu time spent up to now is 253.9 secs Computing kpt #: 175 total cpu time spent up to now is 255.2 secs Computing kpt #: 176 total cpu time spent up to now is 256.5 secs Computing kpt #: 177 total cpu time spent up to now is 257.8 secs Computing kpt #: 178 total cpu time spent up to now is 259.1 secs Computing kpt #: 179 total cpu time spent up to now is 260.3 secs Computing kpt #: 180 total cpu time spent up to now is 261.6 secs Computing kpt #: 181 total cpu time spent up to now is 262.8 secs Computing kpt #: 182 total cpu time spent up to now is 264.0 secs Computing kpt #: 183 total cpu time spent up to now is 265.2 secs Computing kpt #: 184 total cpu time spent up to now is 266.5 secs Computing kpt #: 185 total cpu time spent up to now is 267.7 secs Computing kpt #: 186 total cpu time spent up to now is 269.0 secs Computing kpt #: 187 total cpu time spent up to now is 270.3 secs Computing kpt #: 188 total cpu time spent up to now is 271.5 secs Computing kpt #: 189 total cpu time spent up to now is 272.8 secs Computing kpt #: 190 total cpu time spent up to now is 274.1 secs Computing kpt #: 191 total cpu time spent up to now is 275.4 secs Computing kpt #: 192 total cpu time spent up to now is 276.6 secs Computing kpt #: 193 total cpu time spent up to now is 277.9 secs Computing kpt #: 194 total cpu time spent up to now is 279.1 secs Computing kpt #: 195 total cpu time spent up to now is 280.4 secs Computing kpt #: 196 total cpu time spent up to now is 281.6 secs Computing kpt #: 197 total cpu time spent up to now is 282.9 secs Computing kpt #: 198 total cpu time spent up to now is 284.1 secs Computing kpt #: 199 total cpu time spent up to now is 285.3 secs Computing kpt #: 200 total cpu time spent up to now is 286.6 secs Computing kpt #: 201 total cpu time spent up to now is 287.9 secs Computing kpt #: 202 total cpu time spent up to now is 289.1 secs Computing kpt #: 203 total cpu time spent up to now is 290.3 secs Computing kpt #: 204 total cpu time spent up to now is 291.6 secs Computing kpt #: 205 total cpu time spent up to now is 292.8 secs Computing kpt #: 206 total cpu time spent up to now is 294.1 secs Computing kpt #: 207 total cpu time spent up to now is 295.4 secs Computing kpt #: 208 total cpu time spent up to now is 296.6 secs Computing kpt #: 209 total cpu time spent up to now is 297.9 secs Computing kpt #: 210 total cpu time spent up to now is 299.2 secs Computing kpt #: 211 total cpu time spent up to now is 300.4 secs Computing kpt #: 212 total cpu time spent up to now is 301.7 secs Computing kpt #: 213 total cpu time spent up to now is 303.0 secs Computing kpt #: 214 total cpu time spent up to now is 304.4 secs Computing kpt #: 215 total cpu time spent up to now is 305.7 secs Computing kpt #: 216 total cpu time spent up to now is 307.0 secs Computing kpt #: 217 total cpu time spent up to now is 308.4 secs Computing kpt #: 218 total cpu time spent up to now is 309.8 secs Computing kpt #: 219 total cpu time spent up to now is 311.4 secs Computing kpt #: 220 total cpu time spent up to now is 312.9 secs Computing kpt #: 221 total cpu time spent up to now is 314.5 secs Computing kpt #: 222 total cpu time spent up to now is 316.1 secs Computing kpt #: 223 total cpu time spent up to now is 317.7 secs Computing kpt #: 224 total cpu time spent up to now is 319.4 secs Computing kpt #: 225 total cpu time spent up to now is 321.3 secs Computing kpt #: 226 total cpu time spent up to now is 323.0 secs Computing kpt #: 227 total cpu time spent up to now is 324.7 secs Computing kpt #: 228 total cpu time spent up to now is 326.5 secs Computing kpt #: 229 total cpu time spent up to now is 328.2 secs Computing kpt #: 230 total cpu time spent up to now is 329.8 secs Computing kpt #: 231 total cpu time spent up to now is 331.5 secs Computing kpt #: 232 total cpu time spent up to now is 333.2 secs Computing kpt #: 233 total cpu time spent up to now is 334.8 secs Computing kpt #: 234 total cpu time spent up to now is 337.0 secs Computing kpt #: 235 total cpu time spent up to now is 339.0 secs Computing kpt #: 236 total cpu time spent up to now is 340.6 secs Computing kpt #: 237 total cpu time spent up to now is 342.2 secs Computing kpt #: 238 total cpu time spent up to now is 344.0 secs Computing kpt #: 239 total cpu time spent up to now is 345.6 secs Computing kpt #: 240 total cpu time spent up to now is 347.3 secs Computing kpt #: 241 total cpu time spent up to now is 348.9 secs Computing kpt #: 242 total cpu time spent up to now is 350.6 secs Computing kpt #: 243 total cpu time spent up to now is 352.2 secs Computing kpt #: 244 total cpu time spent up to now is 353.7 secs Computing kpt #: 245 total cpu time spent up to now is 355.3 secs Computing kpt #: 246 total cpu time spent up to now is 356.8 secs Computing kpt #: 247 total cpu time spent up to now is 358.4 secs Computing kpt #: 248 total cpu time spent up to now is 359.9 secs Computing kpt #: 249 total cpu time spent up to now is 361.4 secs Computing kpt #: 250 total cpu time spent up to now is 362.9 secs Computing kpt #: 251 total cpu time spent up to now is 364.5 secs Computing kpt #: 252 total cpu time spent up to now is 366.0 secs Computing kpt #: 253 total cpu time spent up to now is 367.6 secs Computing kpt #: 254 total cpu time spent up to now is 369.1 secs Computing kpt #: 255 total cpu time spent up to now is 370.6 secs Computing kpt #: 256 total cpu time spent up to now is 372.2 secs Computing kpt #: 257 total cpu time spent up to now is 373.7 secs Computing kpt #: 258 total cpu time spent up to now is 375.2 secs Computing kpt #: 259 total cpu time spent up to now is 376.7 secs Computing kpt #: 260 total cpu time spent up to now is 378.3 secs Computing kpt #: 261 total cpu time spent up to now is 379.8 secs Computing kpt #: 262 total cpu time spent up to now is 381.3 secs Computing kpt #: 263 total cpu time spent up to now is 382.8 secs Computing kpt #: 264 total cpu time spent up to now is 384.3 secs Computing kpt #: 265 total cpu time spent up to now is 385.8 secs Computing kpt #: 266 total cpu time spent up to now is 387.3 secs Computing kpt #: 267 total cpu time spent up to now is 388.8 secs Computing kpt #: 268 total cpu time spent up to now is 390.3 secs Computing kpt #: 269 total cpu time spent up to now is 391.8 secs Computing kpt #: 270 total cpu time spent up to now is 393.3 secs Computing kpt #: 271 total cpu time spent up to now is 394.8 secs Computing kpt #: 272 total cpu time spent up to now is 396.3 secs Computing kpt #: 273 total cpu time spent up to now is 397.8 secs Computing kpt #: 274 total cpu time spent up to now is 399.3 secs Computing kpt #: 275 total cpu time spent up to now is 400.8 secs Computing kpt #: 276 total cpu time spent up to now is 402.2 secs Computing kpt #: 277 total cpu time spent up to now is 403.5 secs Computing kpt #: 278 total cpu time spent up to now is 404.8 secs Computing kpt #: 279 total cpu time spent up to now is 406.1 secs Computing kpt #: 280 total cpu time spent up to now is 407.4 secs Computing kpt #: 281 total cpu time spent up to now is 408.8 secs Computing kpt #: 282 total cpu time spent up to now is 410.1 secs Computing kpt #: 283 total cpu time spent up to now is 411.4 secs Computing kpt #: 284 total cpu time spent up to now is 412.6 secs Computing kpt #: 285 total cpu time spent up to now is 413.9 secs Computing kpt #: 286 total cpu time spent up to now is 415.2 secs Computing kpt #: 287 total cpu time spent up to now is 416.4 secs Computing kpt #: 288 total cpu time spent up to now is 417.7 secs Computing kpt #: 289 total cpu time spent up to now is 419.0 secs Computing kpt #: 290 total cpu time spent up to now is 420.2 secs Computing kpt #: 291 total cpu time spent up to now is 421.4 secs Computing kpt #: 292 total cpu time spent up to now is 422.7 secs Computing kpt #: 293 total cpu time spent up to now is 423.9 secs Computing kpt #: 294 total cpu time spent up to now is 425.2 secs Computing kpt #: 295 total cpu time spent up to now is 426.7 secs Computing kpt #: 296 total cpu time spent up to now is 428.1 secs Computing kpt #: 297 total cpu time spent up to now is 429.7 secs Computing kpt #: 298 total cpu time spent up to now is 431.2 secs Computing kpt #: 299 total cpu time spent up to now is 432.6 secs Computing kpt #: 300 total cpu time spent up to now is 434.1 secs Computing kpt #: 301 total cpu time spent up to now is 435.6 secs Computing kpt #: 302 total cpu time spent up to now is 437.1 secs Computing kpt #: 303 total cpu time spent up to now is 438.6 secs Computing kpt #: 304 total cpu time spent up to now is 440.1 secs Computing kpt #: 305 total cpu time spent up to now is 441.6 secs Computing kpt #: 306 total cpu time spent up to now is 443.1 secs Computing kpt #: 307 total cpu time spent up to now is 444.6 secs Computing kpt #: 308 total cpu time spent up to now is 446.2 secs Computing kpt #: 309 total cpu time spent up to now is 448.2 secs Computing kpt #: 310 total cpu time spent up to now is 449.7 secs Computing kpt #: 311 total cpu time spent up to now is 451.2 secs Computing kpt #: 312 total cpu time spent up to now is 452.8 secs Computing kpt #: 313 total cpu time spent up to now is 454.3 secs Computing kpt #: 314 total cpu time spent up to now is 455.8 secs Computing kpt #: 315 total cpu time spent up to now is 457.3 secs Computing kpt #: 316 total cpu time spent up to now is 458.8 secs Computing kpt #: 317 total cpu time spent up to now is 460.0 secs Computing kpt #: 318 total cpu time spent up to now is 461.3 secs Computing kpt #: 319 total cpu time spent up to now is 462.6 secs Computing kpt #: 320 total cpu time spent up to now is 464.0 secs Computing kpt #: 321 total cpu time spent up to now is 465.6 secs Computing kpt #: 322 total cpu time spent up to now is 467.3 secs Computing kpt #: 323 total cpu time spent up to now is 468.8 secs Computing kpt #: 324 total cpu time spent up to now is 470.3 secs Computing kpt #: 325 total cpu time spent up to now is 471.8 secs Computing kpt #: 326 total cpu time spent up to now is 473.1 secs Computing kpt #: 327 total cpu time spent up to now is 474.5 secs Computing kpt #: 328 total cpu time spent up to now is 476.0 secs Computing kpt #: 329 total cpu time spent up to now is 477.4 secs Computing kpt #: 330 total cpu time spent up to now is 478.9 secs Computing kpt #: 331 total cpu time spent up to now is 480.4 secs Computing kpt #: 332 total cpu time spent up to now is 482.1 secs Computing kpt #: 333 total cpu time spent up to now is 483.8 secs Computing kpt #: 334 total cpu time spent up to now is 485.8 secs Computing kpt #: 335 total cpu time spent up to now is 488.1 secs Computing kpt #: 336 total cpu time spent up to now is 490.1 secs Computing kpt #: 337 total cpu time spent up to now is 492.2 secs Computing kpt #: 338 total cpu time spent up to now is 494.4 secs Computing kpt #: 339 total cpu time spent up to now is 495.9 secs Computing kpt #: 340 total cpu time spent up to now is 497.5 secs Computing kpt #: 341 total cpu time spent up to now is 499.0 secs Computing kpt #: 342 total cpu time spent up to now is 500.6 secs Computing kpt #: 343 total cpu time spent up to now is 502.1 secs Computing kpt #: 344 total cpu time spent up to now is 503.6 secs Computing kpt #: 345 total cpu time spent up to now is 505.2 secs Computing kpt #: 346 total cpu time spent up to now is 506.7 secs Computing kpt #: 347 total cpu time spent up to now is 508.3 secs Computing kpt #: 348 total cpu time spent up to now is 509.9 secs Computing kpt #: 349 total cpu time spent up to now is 511.5 secs Computing kpt #: 350 total cpu time spent up to now is 513.1 secs Computing kpt #: 351 total cpu time spent up to now is 514.7 secs Computing kpt #: 352 total cpu time spent up to now is 516.4 secs Computing kpt #: 353 total cpu time spent up to now is 518.2 secs Computing kpt #: 354 total cpu time spent up to now is 520.1 secs Computing kpt #: 355 total cpu time spent up to now is 521.7 secs Computing kpt #: 356 total cpu time spent up to now is 523.4 secs Computing kpt #: 357 total cpu time spent up to now is 525.0 secs Computing kpt #: 358 total cpu time spent up to now is 526.8 secs Computing kpt #: 359 total cpu time spent up to now is 528.6 secs Computing kpt #: 360 total cpu time spent up to now is 530.3 secs ethr = 2.50E-08, avg # of iterations = 23.9 total cpu time spent up to now is 530.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 22587 PWs) bands (ev): -43.2663 -43.2663 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.3017 -11.3017 -10.9727 -10.9727 -10.8907 -10.8907 -10.7054 -10.7054 -4.1236 -4.1236 -2.2366 -2.2366 -2.2121 -2.2121 -2.1808 -2.1808 -1.3792 -1.3792 -1.1683 -1.1683 -0.3884 -0.3884 0.0923 0.0923 0.2963 0.2963 0.3125 0.3125 0.5150 0.5150 0.9304 0.9304 4.4475 4.4475 4.7756 4.7756 5.0883 5.0883 6.1019 6.1019 k = 0.0125-0.0000-0.0000 ( 22581 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.3012 -11.3012 -10.9722 -10.9722 -10.8904 -10.8904 -10.7052 -10.7052 -4.1234 -4.1233 -2.2369 -2.2366 -2.2163 -2.2160 -2.1838 -2.1834 -1.3787 -1.3786 -1.1676 -1.1676 -0.3879 -0.3879 0.0922 0.0923 0.2930 0.2979 0.3072 0.3124 0.5122 0.5124 0.9296 0.9296 4.4505 4.4508 4.7796 4.7798 5.0939 5.0942 6.1063 6.1074 k = 0.0250-0.0000-0.0000 ( 22590 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2998 -11.2998 -10.9709 -10.9709 -10.8896 -10.8896 -10.7046 -10.7045 -4.1226 -4.1224 -2.2384 -2.2369 -2.2281 -2.2268 -2.1925 -2.1916 -1.3771 -1.3769 -1.1655 -1.1655 -0.3864 -0.3864 0.0921 0.0922 0.2857 0.2955 0.2991 0.3096 0.5039 0.5043 0.9273 0.9273 4.4594 4.4600 4.7918 4.7922 5.1111 5.1116 6.1206 6.1228 k = 0.0375-0.0000-0.0000 ( 22590 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2975 -11.2975 -10.9687 -10.9687 -10.8882 -10.8882 -10.7035 -10.7035 -4.1214 -4.1211 -2.2503 -2.2485 -2.2376 -2.2364 -2.2059 -2.2042 -1.3745 -1.3742 -1.1620 -1.1620 -0.3840 -0.3840 0.0920 0.0921 0.2713 0.2775 0.2996 0.3069 0.4904 0.4910 0.9234 0.9235 4.4737 4.4747 4.8124 4.8130 5.1397 5.1404 6.1447 6.1479 k = 0.0500-0.0000-0.0000 ( 22600 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2943 -11.2943 -10.9656 -10.9656 -10.8863 -10.8863 -10.7021 -10.7020 -4.1196 -4.1192 -2.2762 -2.2752 -2.2456 -2.2452 -2.2191 -2.2163 -1.3708 -1.3705 -1.1571 -1.1571 -0.3806 -0.3806 0.0918 0.0919 0.2493 0.2530 0.2998 0.3051 0.4721 0.4729 0.9181 0.9182 4.4924 4.4939 4.8420 4.8427 5.1794 5.1802 6.1785 6.1826 k = 0.0625-0.0000-0.0000 ( 22588 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2902 -11.2901 -10.9616 -10.9616 -10.8839 -10.8838 -10.7002 -10.7002 -4.1173 -4.1168 -2.3094 -2.3087 -2.2672 -2.2667 -2.2239 -2.2209 -1.3660 -1.3657 -1.1509 -1.1509 -0.3762 -0.3762 0.0915 0.0916 0.2203 0.2225 0.2993 0.3032 0.4497 0.4507 0.9112 0.9113 4.5145 4.5165 4.8809 4.8816 5.2299 5.2308 6.2215 6.2265 k = 0.0750-0.0000-0.0000 ( 22564 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2852 -11.2851 -10.9568 -10.9568 -10.8808 -10.8808 -10.6980 -10.6979 -4.1145 -4.1140 -2.3490 -2.3484 -2.2988 -2.2985 -2.2237 -2.2208 -1.3603 -1.3598 -1.1433 -1.1432 -0.3710 -0.3709 0.0911 0.0912 0.1851 0.1862 0.2970 0.3001 0.4244 0.4257 0.9028 0.9029 4.5390 4.5414 4.9291 4.9299 5.2909 5.2919 6.2736 6.2794 k = 0.0875-0.0000-0.0000 ( 22566 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2793 -11.2792 -10.9513 -10.9513 -10.8773 -10.8773 -10.6954 -10.6953 -4.1113 -4.1107 -2.3943 -2.3938 -2.3370 -2.3370 -2.2220 -2.2190 -1.3535 -1.3531 -1.1343 -1.1342 -0.3648 -0.3647 0.0906 0.0908 0.1445 0.1446 0.2912 0.2936 0.3987 0.4002 0.8929 0.8930 4.5648 4.5677 4.9865 4.9873 5.3620 5.3630 6.3294 6.3296 k = 0.1000-0.0000-0.0000 ( 22584 PWs) bands (ev): -43.2662 -43.2662 -43.2658 -43.2658 -43.2599 -43.2599 -43.2596 -43.2596 -11.2726 -11.2725 -10.9450 -10.9450 -10.8732 -10.8732 -10.6924 -10.6923 -4.1077 -4.1070 -2.4447 -2.4442 -2.3809 -2.3807 -2.2195 -2.2164 -1.3458 -1.3453 -1.1239 -1.1239 -0.3577 -0.3577 0.0898 0.0902 0.0984 0.0989 0.2782 0.2800 0.3764 0.3783 0.8815 0.8816 4.5914 4.5948 5.0524 5.0531 5.4429 5.4438 6.3588 6.3589 k = 0.1125-0.0000-0.0000 ( 22572 PWs) bands (ev): -43.2662 -43.2662 -43.2658 -43.2658 -43.2599 -43.2599 -43.2596 -43.2596 -11.2651 -11.2650 -10.9380 -10.9380 -10.8686 -10.8685 -10.6891 -10.6890 -4.1038 -4.1030 -2.4996 -2.4991 -2.4294 -2.4291 -2.2165 -2.2132 -1.3372 -1.3367 -1.1123 -1.1122 -0.3498 -0.3497 0.0476 0.0489 0.0891 0.0894 0.2543 0.2556 0.3620 0.3640 0.8687 0.8688 4.6183 4.6222 5.1259 5.1265 5.5330 5.5339 6.3930 6.3931 k = 0.1250-0.0000-0.0000 ( 22568 PWs) bands (ev): -43.2662 -43.2662 -43.2658 -43.2658 -43.2599 -43.2599 -43.2596 -43.2596 -11.2568 -11.2568 -10.9303 -10.9303 -10.8634 -10.8634 -10.6854 -10.6853 -4.0995 -4.0986 -2.5584 -2.5580 -2.4819 -2.4816 -2.2130 -2.2095 -1.3278 -1.3272 -1.0993 -1.0992 -0.3411 -0.3410 -0.0066 -0.0047 0.0878 0.0882 0.2200 0.2211 0.3554 0.3574 0.8543 0.8545 4.6453 4.6495 5.2055 5.2061 5.6320 5.6329 6.4323 6.4326 k = 0.1375-0.0000-0.0000 ( 22582 PWs) bands (ev): -43.2662 -43.2662 -43.2658 -43.2658 -43.2599 -43.2599 -43.2596 -43.2596 -11.2479 -11.2478 -10.9222 -10.9222 -10.8577 -10.8577 -10.6815 -10.6814 -4.0950 -4.0941 -2.6207 -2.6203 -2.5378 -2.5375 -2.2091 -2.2054 -1.3175 -1.3169 -1.0850 -1.0849 -0.3316 -0.3315 -0.0640 -0.0616 0.0854 0.0862 0.1793 0.1802 0.3538 0.3556 0.8386 0.8388 4.6722 4.6768 5.2899 5.2904 5.7393 5.7400 6.4773 6.4776 k = 0.1500-0.0000-0.0000 ( 22592 PWs) bands (ev): -43.2662 -43.2662 -43.2658 -43.2658 -43.2599 -43.2599 -43.2595 -43.2595 -11.2382 -11.2381 -10.9135 -10.9135 -10.8514 -10.8514 -10.6772 -10.6771 -4.0903 -4.0893 -2.6858 -2.6854 -2.5966 -2.5962 -2.2049 -2.2010 -1.3065 -1.3059 -1.0694 -1.0693 -0.3214 -0.3213 -0.1240 -0.1211 0.0795 0.0810 0.1374 0.1377 0.3549 0.3566 0.8215 0.8216 4.6990 4.7039 5.3772 5.3777 5.8540 5.8546 6.5279 6.5285 k = 0.1625-0.0000-0.0000 ( 22590 PWs) bands (ev): -43.2662 -43.2662 -43.2658 -43.2658 -43.2598 -43.2598 -43.2595 -43.2595 -11.2279 -11.2278 -10.9044 -10.9044 -10.8446 -10.8445 -10.6728 -10.6726 -4.0854 -4.0844 -2.7531 -2.7528 -2.6576 -2.6572 -2.2004 -2.1962 -1.2948 -1.2942 -1.0526 -1.0525 -0.3105 -0.3104 -0.1860 -0.1827 0.0586 0.0614 0.1064 0.1073 0.3575 0.3591 0.8029 0.8031 4.7257 4.7308 5.4659 5.4663 5.9748 5.9753 6.5788 6.5811 k = 0.1750-0.0000-0.0000 ( 22616 PWs) bands (ev): -43.2662 -43.2662 -43.2658 -43.2658 -43.2598 -43.2598 -43.2595 -43.2595 -11.2170 -11.2170 -10.8951 -10.8951 -10.8371 -10.8371 -10.6680 -10.6679 -4.0806 -4.0795 -2.8223 -2.8220 -2.7203 -2.7198 -2.1956 -2.1912 -1.2825 -1.2819 -1.0345 -1.0344 -0.2990 -0.2989 -0.2495 -0.2458 0.0157 0.0184 0.0964 0.0972 0.3611 0.3625 0.7831 0.7833 4.7523 4.7575 5.5543 5.5546 6.0985 6.0989 6.5476 6.5477 k = 0.1875-0.0000-0.0000 ( 22616 PWs) bands (ev): -43.2662 -43.2662 -43.2658 -43.2658 -43.2598 -43.2598 -43.2595 -43.2595 -11.2056 -11.2055 -10.8856 -10.8856 -10.8290 -10.8290 -10.6631 -10.6630 -4.0758 -4.0747 -2.8927 -2.8924 -2.7841 -2.7836 -2.1906 -2.1859 -1.2698 -1.2691 -1.0152 -1.0151 -0.3142 -0.3101 -0.2869 -0.2867 -0.0353 -0.0327 0.0931 0.0937 0.3653 0.3666 0.7619 0.7621 4.7786 4.7840 5.6406 5.6409 6.2155 6.2156 6.5063 6.5069 k = 0.2000-0.0000-0.0000 ( 22592 PWs) bands (ev): -43.2661 -43.2661 -43.2658 -43.2658 -43.2598 -43.2598 -43.2595 -43.2595 -11.1938 -11.1937 -10.8761 -10.8761 -10.8203 -10.8202 -10.6581 -10.6579 -4.0712 -4.0700 -2.9639 -2.9636 -2.8484 -2.8479 -2.1853 -2.1804 -1.2566 -1.2559 -0.9948 -0.9946 -0.3793 -0.3749 -0.2744 -0.2741 -0.0887 -0.0860 0.0913 0.0918 0.3700 0.3712 0.7394 0.7396 4.8048 4.8102 5.7234 5.7237 6.2892 6.2896 6.5114 6.5124 k = 0.2125-0.0000-0.0000 ( 22576 PWs) bands (ev): -43.2661 -43.2661 -43.2657 -43.2657 -43.2598 -43.2598 -43.2595 -43.2595 -11.1815 -11.1814 -10.8666 -10.8666 -10.8109 -10.8108 -10.6528 -10.6527 -4.0669 -4.0657 -3.0354 -3.0352 -2.9128 -2.9123 -2.1799 -2.1747 -1.2431 -1.2424 -0.9733 -0.9731 -0.4447 -0.4400 -0.2616 -0.2611 -0.1429 -0.1401 0.0900 0.0904 0.3750 0.3761 0.7157 0.7159 4.8308 4.8362 5.8009 5.8012 6.2825 6.2831 6.5969 6.5985 k = 0.2250-0.0000-0.0000 ( 22560 PWs) bands (ev): -43.2661 -43.2661 -43.2657 -43.2657 -43.2598 -43.2598 -43.2595 -43.2595 -11.1689 -11.1688 -10.8573 -10.8573 -10.8008 -10.8008 -10.6475 -10.6474 -4.0630 -4.0618 -3.1069 -3.1066 -2.9767 -2.9761 -2.1742 -2.1689 -1.2294 -1.2287 -0.9506 -0.9504 -0.5098 -0.5048 -0.2493 -0.2481 -0.1968 -0.1933 0.0889 0.0893 0.3802 0.3812 0.6909 0.6911 4.8565 4.8619 5.8703 5.8708 6.2415 6.2425 6.6842 6.6873 k = 0.2375-0.0000-0.0000 ( 22554 PWs) bands (ev): -43.2661 -43.2661 -43.2657 -43.2657 -43.2598 -43.2598 -43.2595 -43.2595 -11.1560 -11.1559 -10.8482 -10.8482 -10.7902 -10.7901 -10.6421 -10.6420 -4.0597 -4.0585 -3.1778 -3.1776 -3.0396 -3.0390 -2.1685 -2.1629 -1.2157 -1.2149 -0.9270 -0.9267 -0.5742 -0.5690 -0.2545 -0.2535 -0.2315 -0.2283 0.0879 0.0882 0.3855 0.3865 0.6649 0.6651 4.8819 4.8873 5.9258 5.9267 6.2003 6.2018 6.6471 6.6499 k = 0.2500-0.0000-0.0000 ( 22578 PWs) bands (ev): -43.2661 -43.2661 -43.2657 -43.2657 -43.2598 -43.2598 -43.2594 -43.2594 -11.1430 -11.1428 -10.8394 -10.8394 -10.7790 -10.7789 -10.6367 -10.6366 -4.0571 -4.0559 -3.2479 -3.2477 -3.1009 -3.1002 -2.1626 -2.1568 -1.2020 -1.2013 -0.9024 -0.9020 -0.6376 -0.6323 -0.3048 -0.3035 -0.2190 -0.2181 0.0869 0.0871 0.3908 0.3918 0.6379 0.6381 4.9070 4.9122 5.9544 5.9556 6.1792 6.1813 6.5581 6.5606 k = 0.2625-0.0000-0.0000 ( 22586 PWs) bands (ev): -43.2661 -43.2661 -43.2657 -43.2657 -43.2597 -43.2597 -43.2594 -43.2594 -11.1298 -11.1297 -10.8309 -10.8309 -10.7673 -10.7672 -10.6313 -10.6312 -4.0555 -4.0543 -3.3168 -3.3166 -3.1601 -3.1595 -2.1566 -2.1506 -1.1887 -1.1879 -0.8771 -0.8765 -0.6996 -0.6942 -0.3562 -0.3546 -0.2049 -0.2044 0.0858 0.0861 0.3962 0.3971 0.6099 0.6102 4.9315 4.9367 5.9442 5.9454 6.1920 6.1945 6.4658 6.4684 k = 0.2750-0.0000-0.0000 ( 22594 PWs) bands (ev): -43.2661 -43.2661 -43.2657 -43.2657 -43.2597 -43.2597 -43.2594 -43.2594 -11.1166 -11.1164 -10.8227 -10.8227 -10.7552 -10.7551 -10.6260 -10.6259 -4.0549 -4.0538 -3.3841 -3.3839 -3.2169 -3.2162 -2.1506 -2.1444 -1.1758 -1.1749 -0.8518 -0.8506 -0.7591 -0.7541 -0.4059 -0.4043 -0.1907 -0.1903 0.0848 0.0850 0.4014 0.4023 0.5811 0.5814 4.9554 4.9605 5.9065 5.9074 6.2229 6.2257 6.3827 6.3857 k = 0.2875-0.0000-0.0000 ( 22598 PWs) bands (ev): -43.2661 -43.2661 -43.2657 -43.2657 -43.2597 -43.2597 -43.2594 -43.2594 -11.1034 -11.1033 -10.8149 -10.8149 -10.7429 -10.7428 -10.6207 -10.6206 -4.0558 -4.0547 -3.4496 -3.4494 -3.2706 -3.2699 -2.1445 -2.1382 -1.1635 -1.1626 -0.8370 -0.8308 -0.8055 -0.8054 -0.4536 -0.4519 -0.1763 -0.1760 0.0837 0.0839 0.4064 0.4073 0.5517 0.5520 4.9786 4.9835 5.8577 5.8584 6.2226 6.2247 6.3458 6.3481 k = 0.3000-0.0000-0.0000 ( 22586 PWs) bands (ev): -43.2660 -43.2660 -43.2656 -43.2656 -43.2597 -43.2597 -43.2594 -43.2594 -11.0904 -11.0902 -10.8074 -10.8074 -10.7305 -10.7304 -10.6156 -10.6155 -4.0581 -4.0571 -3.5129 -3.5128 -3.3209 -3.3201 -2.1385 -2.1321 -1.1521 -1.1512 -0.8807 -0.8733 -0.7914 -0.7905 -0.4987 -0.4971 -0.1621 -0.1618 0.0825 0.0827 0.4108 0.4118 0.5218 0.5222 5.0010 5.0056 5.8058 5.8063 6.1601 6.1604 6.3797 6.3803 k = 0.3125-0.0000-0.0000 ( 22586 PWs) bands (ev): -43.2660 -43.2660 -43.2656 -43.2656 -43.2597 -43.2597 -43.2594 -43.2594 -11.0775 -11.0774 -10.8002 -10.8002 -10.7180 -10.7179 -10.6106 -10.6105 -4.0621 -4.0612 -3.5738 -3.5737 -3.3673 -3.3665 -2.1324 -2.1260 -1.1418 -1.1409 -0.9340 -0.9270 -0.7634 -0.7629 -0.5410 -0.5395 -0.1479 -0.1476 0.0812 0.0814 0.4142 0.4152 0.4922 0.4927 5.0222 5.0267 5.7542 5.7545 6.0819 6.0822 6.4333 6.4333 k = 0.3250-0.0000-0.0000 ( 22606 PWs) bands (ev): -43.2660 -43.2660 -43.2656 -43.2656 -43.2597 -43.2597 -43.2594 -43.2594 -11.0650 -11.0649 -10.7934 -10.7934 -10.7056 -10.7056 -10.6058 -10.6057 -4.0679 -4.0671 -3.6321 -3.6320 -3.4096 -3.4087 -2.1265 -2.1200 -1.1329 -1.1319 -0.9858 -0.9789 -0.7342 -0.7339 -0.5801 -0.5787 -0.1339 -0.1337 0.0799 0.0801 0.4144 0.4156 0.4649 0.4656 5.0423 5.0465 5.7044 5.7047 6.0039 6.0044 6.4912 6.4914 k = 0.3375-0.0000-0.0000 ( 22616 PWs) bands (ev): -43.2660 -43.2660 -43.2656 -43.2656 -43.2597 -43.2597 -43.2594 -43.2594 -11.0529 -11.0528 -10.7870 -10.7870 -10.6935 -10.6934 -10.6013 -10.6012 -4.0755 -4.0748 -3.6875 -3.6874 -3.4474 -3.4465 -2.1206 -2.1141 -1.1256 -1.1245 -1.0350 -1.0282 -0.7044 -0.7042 -0.6156 -0.6144 -0.1203 -0.1200 0.0785 0.0787 0.4048 0.4058 0.4471 0.4477 5.0609 5.0648 5.6574 5.6576 5.9290 5.9297 6.5508 6.5511 k = 0.3500-0.0000-0.0000 ( 22616 PWs) bands (ev): -43.2660 -43.2660 -43.2656 -43.2656 -43.2597 -43.2597 -43.2594 -43.2594 -11.0412 -11.0411 -10.7809 -10.7809 -10.6816 -10.6815 -10.5971 -10.5970 -4.0850 -4.0843 -3.7397 -3.7396 -3.4806 -3.4797 -2.1149 -2.1085 -1.1201 -1.1189 -1.0814 -1.0748 -0.6742 -0.6741 -0.6471 -0.6462 -0.1070 -0.1067 0.0770 0.0772 0.3811 0.3817 0.4431 0.4434 5.0778 5.0814 5.6139 5.6140 5.8584 5.8591 6.6113 6.6116 k = 0.3625-0.0000-0.0000 ( 22606 PWs) bands (ev): -43.2660 -43.2660 -43.2656 -43.2656 -43.2597 -43.2597 -43.2594 -43.2594 -11.0301 -11.0300 -10.7752 -10.7752 -10.6701 -10.6701 -10.5933 -10.5932 -4.0960 -4.0955 -3.7886 -3.7886 -3.5094 -3.5084 -2.1093 -2.1030 -1.1256 -1.1192 -1.1158 -1.1146 -0.6753 -0.6743 -0.6435 -0.6433 -0.0941 -0.0939 0.0754 0.0755 0.3514 0.3517 0.4446 0.4447 5.0927 5.0961 5.5742 5.5743 5.7923 5.7931 6.6723 6.6726 k = 0.3750-0.0000-0.0000 ( 22612 PWs) bands (ev): -43.2660 -43.2660 -43.2656 -43.2656 -43.2597 -43.2597 -43.2594 -43.2594 -11.0196 -11.0195 -10.7700 -10.7699 -10.6591 -10.6591 -10.5898 -10.5897 -4.1083 -4.1078 -3.8340 -3.8340 -3.5338 -3.5328 -2.1040 -2.0979 -1.1654 -1.1590 -1.1148 -1.1137 -0.6987 -0.6979 -0.6131 -0.6130 -0.0817 -0.0815 0.0736 0.0738 0.3200 0.3203 0.4474 0.4474 5.1056 5.1086 5.5388 5.5389 5.7312 5.7320 6.7335 6.7339 k = 0.3875-0.0000-0.0000 ( 22612 PWs) bands (ev): -43.2660 -43.2660 -43.2656 -43.2656 -43.2597 -43.2597 -43.2594 -43.2594 -11.0099 -11.0098 -10.7651 -10.7651 -10.6487 -10.6487 -10.5867 -10.5866 -4.1214 -4.1211 -3.8757 -3.8757 -3.5541 -3.5532 -2.0989 -2.0930 -1.2023 -1.1962 -1.1153 -1.1142 -0.7182 -0.7176 -0.5829 -0.5828 -0.0699 -0.0697 0.0718 0.0720 0.2884 0.2885 0.4504 0.4505 5.1161 5.1187 5.5079 5.5079 5.6752 5.6761 6.7949 6.7952 k = 0.4000-0.0000-0.0000 ( 22628 PWs) bands (ev): -43.2659 -43.2659 -43.2656 -43.2656 -43.2597 -43.2597 -43.2593 -43.2593 -11.0010 -11.0009 -10.7608 -10.7607 -10.6389 -10.6389 -10.5841 -10.5840 -4.1349 -4.1347 -3.9136 -3.9135 -3.5708 -3.5699 -2.0940 -2.0885 -1.2357 -1.2300 -1.1175 -1.1164 -0.7338 -0.7333 -0.5533 -0.5531 -0.0588 -0.0586 0.0699 0.0701 0.2570 0.2572 0.4534 0.4535 5.1241 5.1265 5.4815 5.4815 5.6248 5.6257 6.8561 6.8564 k = 0.4125-0.0000-0.0000 ( 22620 PWs) bands (ev): -43.2659 -43.2659 -43.2656 -43.2656 -43.2597 -43.2597 -43.2593 -43.2593 -10.9929 -10.9928 -10.7568 -10.7568 -10.6298 -10.6298 -10.5820 -10.5819 -4.1483 -4.1481 -3.9474 -3.9474 -3.5842 -3.5833 -2.0895 -2.0845 -1.2655 -1.2602 -1.1211 -1.1200 -0.7459 -0.7455 -0.5245 -0.5244 -0.0483 -0.0481 0.0679 0.0681 0.2265 0.2266 0.4562 0.4563 5.1298 5.1318 5.4594 5.4594 5.5802 5.5812 6.9170 6.9173 k = 0.4250-0.0000-0.0000 ( 22618 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9857 -10.9856 -10.7534 -10.7534 -10.6215 -10.6215 -10.5804 -10.5803 -4.1610 -4.1609 -3.9770 -3.9770 -3.5948 -3.5940 -2.0854 -2.0809 -1.2915 -1.2868 -1.1256 -1.1246 -0.7550 -0.7547 -0.4971 -0.4970 -0.0387 -0.0385 0.0659 0.0661 0.1974 0.1975 0.4587 0.4588 5.1333 5.1349 5.4412 5.4413 5.5418 5.5428 6.9771 6.9774 k = 0.4375-0.0000-0.0000 ( 22626 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9796 -10.9795 -10.7505 -10.7505 -10.6140 -10.6140 -10.5793 -10.5793 -4.1726 -4.1725 -4.0023 -4.0023 -3.6030 -3.6024 -2.0818 -2.0778 -1.3137 -1.3096 -1.1305 -1.1296 -0.7616 -0.7614 -0.4716 -0.4715 -0.0299 -0.0297 0.0640 0.0641 0.1702 0.1702 0.4609 0.4610 5.1350 5.1362 5.4262 5.4264 5.5099 5.5109 7.0359 7.0361 k = 0.4500-0.0000-0.0000 ( 22630 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9744 -10.9744 -10.7481 -10.7480 -10.6074 -10.6073 -10.5789 -10.5789 -4.1826 -4.1825 -4.0232 -4.0232 -3.6092 -3.6087 -2.0786 -2.0753 -1.3318 -1.3285 -1.1352 -1.1345 -0.7662 -0.7660 -0.4488 -0.4488 -0.0221 -0.0220 0.0622 0.0623 0.1456 0.1457 0.4627 0.4627 5.1354 5.1363 5.4137 5.4140 5.4850 5.4860 7.0923 7.0925 k = 0.4625-0.0000-0.0000 ( 22642 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9704 -10.9704 -10.7462 -10.7462 -10.6017 -10.6017 -10.5790 -10.5790 -4.1907 -4.1906 -4.0396 -4.0396 -3.6137 -3.6133 -2.0760 -2.0734 -1.3460 -1.3434 -1.1393 -1.1388 -0.7693 -0.7692 -0.4296 -0.4296 -0.0155 -0.0154 0.0607 0.0608 0.1246 0.1246 0.4641 0.4642 5.1350 5.1357 5.4033 5.4036 5.4671 5.4679 7.1448 7.1450 k = 0.4750-0.0000-0.0000 ( 22662 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9675 -10.9675 -10.7448 -10.7448 -10.5971 -10.5971 -10.5795 -10.5795 -4.1967 -4.1967 -4.0514 -4.0514 -3.6167 -3.6164 -2.0739 -2.0722 -1.3560 -1.3542 -1.1425 -1.1421 -0.7712 -0.7711 -0.4149 -0.4149 -0.0103 -0.0102 0.0596 0.0597 0.1081 0.1081 0.4651 0.4652 5.1344 5.1348 5.3950 5.3952 5.4556 5.4562 7.1366 7.1366 k = 0.4875-0.0000-0.0000 ( 22658 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9658 -10.9657 -10.7440 -10.7440 -10.5940 -10.5940 -10.5802 -10.5802 -4.2003 -4.2003 -4.0585 -4.0585 -3.6184 -3.6183 -2.0725 -2.0716 -1.3618 -1.3609 -1.1445 -1.1443 -0.7722 -0.7722 -0.4056 -0.4056 -0.0069 -0.0068 0.0591 0.0592 0.0973 0.0973 0.4658 0.4658 5.1339 5.1341 5.3896 5.3897 5.4494 5.4497 7.1301 7.1301 k = 0.5000-0.0000-0.0000 ( 22648 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9652 -10.9652 -10.7437 -10.7437 -10.5928 -10.5928 -10.5806 -10.5806 -4.2016 -4.2016 -4.0608 -4.0608 -3.6189 -3.6189 -2.0717 -2.0717 -1.3635 -1.3635 -1.1451 -1.1451 -0.7725 -0.7725 -0.4024 -0.4024 -0.0056 -0.0056 0.0591 0.0591 0.0935 0.0935 0.4660 0.4660 5.1338 5.1338 5.3877 5.3877 5.4475 5.4475 7.1279 7.1279 k = 0.5000-0.0000-0.0000 ( 22648 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9652 -10.9652 -10.7437 -10.7437 -10.5928 -10.5928 -10.5806 -10.5806 -4.2016 -4.2016 -4.0608 -4.0608 -3.6189 -3.6189 -2.0717 -2.0717 -1.3635 -1.3635 -1.1451 -1.1451 -0.7725 -0.7725 -0.4024 -0.4024 -0.0056 -0.0056 0.0591 0.0591 0.0935 0.0935 0.4660 0.4660 5.1338 5.1338 5.3877 5.3877 5.4475 5.4475 7.1279 7.2360 k = 0.5000 0.0123-0.0000 ( 22644 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9651 -10.9651 -10.7437 -10.7437 -10.5929 -10.5929 -10.5806 -10.5806 -4.2011 -4.2011 -4.0612 -4.0611 -3.6195 -3.6195 -2.0717 -2.0717 -1.3645 -1.3645 -1.1449 -1.1447 -0.7732 -0.7727 -0.4016 -0.4015 -0.0057 -0.0042 0.0584 0.0596 0.0929 0.0930 0.4663 0.4665 5.1351 5.1351 5.3907 5.3909 5.4491 5.4494 7.1307 7.1307 k = 0.5000 0.0246-0.0000 ( 22640 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2597 -43.2597 -43.2593 -43.2593 -10.9648 -10.9648 -10.7436 -10.7436 -10.5931 -10.5931 -10.5806 -10.5806 -4.1997 -4.1997 -4.0621 -4.0621 -3.6214 -3.6213 -2.0717 -2.0716 -1.3677 -1.3676 -1.1442 -1.1437 -0.7746 -0.7738 -0.3990 -0.3988 -0.0045 -0.0015 0.0578 0.0603 0.0911 0.0914 0.4675 0.4678 5.1390 5.1391 5.3997 5.4001 5.4542 5.4546 7.1389 7.1390 k = 0.5000 0.0369-0.0000 ( 22638 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2597 -43.2597 -43.2594 -43.2594 -10.9644 -10.9644 -10.7435 -10.7435 -10.5934 -10.5934 -10.5807 -10.5807 -4.1974 -4.1973 -4.0637 -4.0636 -3.6244 -3.6243 -2.0717 -2.0716 -1.3728 -1.3726 -1.1429 -1.1422 -0.7769 -0.7756 -0.3947 -0.3945 -0.0029 0.0015 0.0581 0.0618 0.0882 0.0886 0.4695 0.4699 5.1452 5.1453 5.4149 5.4155 5.4630 5.4637 7.1527 7.1527 k = 0.5000 0.0493-0.0000 ( 22642 PWs) bands (ev): -43.2658 -43.2658 -43.2655 -43.2655 -43.2597 -43.2597 -43.2594 -43.2594 -10.9639 -10.9639 -10.7434 -10.7434 -10.5939 -10.5939 -10.5807 -10.5807 -4.1941 -4.1940 -4.0659 -4.0658 -3.6286 -3.6284 -2.0717 -2.0715 -1.3797 -1.3795 -1.1410 -1.1401 -0.7800 -0.7783 -0.3887 -0.3884 -0.0022 0.0034 0.0607 0.0653 0.0842 0.0848 0.4722 0.4728 5.1530 5.1532 5.4360 5.4368 5.4761 5.4769 7.1718 7.1718 k = 0.5000 0.0616-0.0000 ( 22618 PWs) bands (ev): -43.2658 -43.2658 -43.2654 -43.2654 -43.2598 -43.2598 -43.2595 -43.2595 -10.9632 -10.9632 -10.7432 -10.7432 -10.5944 -10.5944 -10.5808 -10.5808 -4.1899 -4.1898 -4.0686 -4.0684 -3.6339 -3.6337 -2.0717 -2.0715 -1.3883 -1.3881 -1.1385 -1.1374 -0.7839 -0.7817 -0.3811 -0.3808 -0.0033 0.0026 0.0671 0.0719 0.0793 0.0800 0.4756 0.4762 5.1617 5.1620 5.4630 5.4639 5.4939 5.4949 7.1622 7.1629 k = 0.5000 0.0739-0.0000 ( 22618 PWs) bands (ev): -43.2657 -43.2657 -43.2653 -43.2653 -43.2598 -43.2598 -43.2595 -43.2595 -10.9623 -10.9623 -10.7429 -10.7429 -10.5951 -10.5951 -10.5809 -10.5809 -4.1847 -4.1846 -4.0718 -4.0717 -3.6404 -3.6401 -2.0716 -2.0714 -1.3984 -1.3981 -1.1355 -1.1342 -0.7885 -0.7860 -0.3721 -0.3717 -0.0070 -0.0012 0.0732 0.0739 0.0781 0.0823 0.4794 0.4802 5.1706 5.1710 5.4957 5.4968 5.5171 5.5181 7.1349 7.1358 k = 0.5000 0.0862-0.0000 ( 22594 PWs) bands (ev): -43.2656 -43.2656 -43.2652 -43.2652 -43.2599 -43.2599 -43.2596 -43.2596 -10.9614 -10.9614 -10.7427 -10.7427 -10.5959 -10.5959 -10.5810 -10.5810 -4.1787 -4.1786 -4.0755 -4.0753 -3.6479 -3.6476 -2.0716 -2.0713 -1.4098 -1.4095 -1.1320 -1.1304 -0.7939 -0.7910 -0.3616 -0.3612 -0.0130 -0.0078 0.0665 0.0675 0.0921 0.0957 0.4837 0.4846 5.1788 5.1794 5.5340 5.5353 5.5461 5.5472 7.1060 7.1069 k = 0.5000 0.0985-0.0000 ( 22588 PWs) bands (ev): -43.2655 -43.2655 -43.2652 -43.2652 -43.2600 -43.2600 -43.2597 -43.2597 -10.9603 -10.9603 -10.7424 -10.7424 -10.5968 -10.5968 -10.5811 -10.5811 -4.1718 -4.1717 -4.0796 -4.0794 -3.6565 -3.6562 -2.0715 -2.0712 -1.4221 -1.4218 -1.1278 -1.1260 -0.8000 -0.7967 -0.3500 -0.3496 -0.0208 -0.0162 0.0591 0.0601 0.1090 0.1119 0.4882 0.4893 5.1857 5.1866 5.5776 5.5791 5.5812 5.5822 7.0763 7.0774 k = 0.5000 0.1108-0.0000 ( 22596 PWs) bands (ev): -43.2655 -43.2655 -43.2651 -43.2651 -43.2601 -43.2601 -43.2598 -43.2598 -10.9591 -10.9591 -10.7420 -10.7420 -10.5978 -10.5978 -10.5812 -10.5812 -4.1641 -4.1639 -4.0840 -4.0838 -3.6661 -3.6658 -2.0715 -2.0711 -1.4352 -1.4349 -1.1232 -1.1212 -0.8067 -0.8031 -0.3373 -0.3368 -0.0300 -0.0259 0.0510 0.0521 0.1280 0.1301 0.4929 0.4942 5.1911 5.1922 5.6224 5.6233 5.6265 5.6280 7.0470 7.0481 k = 0.5000 0.1232-0.0000 ( 22592 PWs) bands (ev): -43.2653 -43.2653 -43.2650 -43.2650 -43.2602 -43.2602 -43.2599 -43.2599 -10.9579 -10.9578 -10.7417 -10.7417 -10.5989 -10.5989 -10.5813 -10.5813 -4.1554 -4.1552 -4.0887 -4.0885 -3.6767 -3.6763 -2.0714 -2.0710 -1.4489 -1.4486 -1.1181 -1.1158 -0.8140 -0.8101 -0.3236 -0.3232 -0.0400 -0.0364 0.0424 0.0436 0.1483 0.1498 0.4978 0.4992 5.1948 5.1961 5.6694 5.6702 5.6800 5.6818 7.0188 7.0200 k = 0.5000 0.1355-0.0000 ( 22590 PWs) bands (ev): -43.2652 -43.2652 -43.2649 -43.2649 -43.2603 -43.2603 -43.2600 -43.2600 -10.9565 -10.9565 -10.7413 -10.7413 -10.6000 -10.6000 -10.5814 -10.5814 -4.1460 -4.1458 -4.0935 -4.0933 -3.6881 -3.6877 -2.0713 -2.0710 -1.4629 -1.4625 -1.1124 -1.1099 -0.8220 -0.8178 -0.3092 -0.3088 -0.0507 -0.0475 0.0333 0.0346 0.1696 0.1705 0.5026 0.5042 5.1967 5.1982 5.7217 5.7224 5.7382 5.7400 6.9924 6.9937 k = 0.5000 0.1478-0.0000 ( 22586 PWs) bands (ev): -43.2651 -43.2651 -43.2647 -43.2647 -43.2604 -43.2604 -43.2601 -43.2601 -10.9551 -10.9551 -10.7409 -10.7409 -10.6012 -10.6011 -10.5816 -10.5816 -4.1358 -4.1356 -4.0986 -4.0983 -3.7004 -3.7000 -2.0712 -2.0709 -1.4769 -1.4766 -1.1062 -1.1035 -0.8304 -0.8260 -0.2943 -0.2938 -0.0617 -0.0588 0.0240 0.0253 0.1914 0.1919 0.5074 0.5091 5.1969 5.1986 5.7786 5.7792 5.8004 5.8024 6.9686 6.9699 k = 0.5000 0.1601-0.0000 ( 22580 PWs) bands (ev): -43.2650 -43.2650 -43.2646 -43.2646 -43.2605 -43.2605 -43.2602 -43.2602 -10.9537 -10.9537 -10.7406 -10.7406 -10.6023 -10.6023 -10.5817 -10.5817 -4.1248 -4.1246 -4.1036 -4.1034 -3.7135 -3.7131 -2.0711 -2.0708 -1.4908 -1.4905 -1.0996 -1.0966 -0.8394 -0.8347 -0.2789 -0.2785 -0.0727 -0.0701 0.0145 0.0158 0.2133 0.2134 0.5121 0.5139 5.1957 5.1975 5.8394 5.8399 5.8664 5.8684 6.9481 6.9493 k = 0.5000 0.1724-0.0000 ( 22576 PWs) bands (ev): -43.2648 -43.2648 -43.2645 -43.2645 -43.2607 -43.2607 -43.2603 -43.2603 -10.9523 -10.9523 -10.7402 -10.7402 -10.6035 -10.6035 -10.5818 -10.5818 -4.1132 -4.1129 -4.1086 -4.1084 -3.7273 -3.7268 -2.0710 -2.0707 -1.5045 -1.5041 -1.0925 -1.0893 -0.8488 -0.8439 -0.2634 -0.2629 -0.0837 -0.0813 0.0049 0.0061 0.2347 0.2351 0.5166 0.5185 5.1932 5.1951 5.9030 5.9033 5.9355 5.9376 6.9314 6.9326 k = 0.5000 0.1847-0.0000 ( 22578 PWs) bands (ev): -43.2647 -43.2647 -43.2643 -43.2643 -43.2608 -43.2608 -43.2605 -43.2605 -10.9509 -10.9509 -10.7398 -10.7398 -10.6047 -10.6047 -10.5820 -10.5820 -4.1136 -4.1134 -4.1008 -4.1004 -3.7418 -3.7413 -2.0709 -2.0706 -1.5176 -1.5173 -1.0850 -1.0815 -0.8586 -0.8535 -0.2478 -0.2474 -0.0943 -0.0922 -0.0047 -0.0035 0.2556 0.2563 0.5209 0.5229 5.1897 5.1917 5.9683 5.9685 6.0072 6.0094 6.9191 6.9202 k = 0.5000 0.1970-0.0000 ( 22582 PWs) bands (ev): -43.2646 -43.2646 -43.2642 -43.2642 -43.2610 -43.2610 -43.2606 -43.2606 -10.9495 -10.9495 -10.7394 -10.7394 -10.6059 -10.6059 -10.5821 -10.5821 -4.1183 -4.1181 -4.0877 -4.0874 -3.7568 -3.7563 -2.0708 -2.0705 -1.5301 -1.5298 -1.0770 -1.0734 -0.8687 -0.8635 -0.2324 -0.2320 -0.1045 -0.1026 -0.0143 -0.0132 0.2757 0.2767 0.5249 0.5270 5.1855 5.1874 6.0338 6.0339 6.0808 6.0830 6.9120 6.9130 k = 0.5000 0.2094-0.0000 ( 22604 PWs) bands (ev): -43.2644 -43.2644 -43.2640 -43.2640 -43.2611 -43.2611 -43.2608 -43.2608 -10.9482 -10.9482 -10.7391 -10.7391 -10.6070 -10.6070 -10.5822 -10.5822 -4.1228 -4.1226 -4.0741 -4.0737 -3.7723 -3.7718 -2.0707 -2.0704 -1.5418 -1.5415 -1.0686 -1.0648 -0.8791 -0.8738 -0.2172 -0.2169 -0.1141 -0.1124 -0.0238 -0.0227 0.2948 0.2960 0.5287 0.5308 5.1807 5.1826 6.0981 6.0982 6.1555 6.1576 6.9107 6.9115 k = 0.5000 0.2217-0.0000 ( 22594 PWs) bands (ev): -43.2642 -43.2642 -43.2639 -43.2639 -43.2613 -43.2613 -43.2610 -43.2610 -10.9469 -10.9469 -10.7387 -10.7387 -10.6081 -10.6081 -10.5823 -10.5823 -4.1270 -4.1269 -4.0599 -4.0595 -3.7883 -3.7878 -2.0706 -2.0703 -1.5526 -1.5524 -1.0599 -1.0558 -0.8898 -0.8844 -0.2025 -0.2022 -0.1230 -0.1215 -0.0330 -0.0321 0.3126 0.3139 0.5321 0.5343 5.1756 5.1774 6.1593 6.1595 6.2301 6.2321 6.9158 6.9164 k = 0.5000 0.2340-0.0000 ( 22600 PWs) bands (ev): -43.2641 -43.2641 -43.2637 -43.2637 -43.2615 -43.2615 -43.2611 -43.2611 -10.9457 -10.9457 -10.7384 -10.7384 -10.6091 -10.6090 -10.5824 -10.5824 -4.1309 -4.1308 -4.0452 -4.0448 -3.8046 -3.8041 -2.0705 -2.0703 -1.5624 -1.5622 -1.0507 -1.0465 -0.9007 -0.8952 -0.1883 -0.1881 -0.1311 -0.1297 -0.0421 -0.0413 0.3289 0.3302 0.5353 0.5374 5.1705 5.1722 6.2157 6.2159 6.3034 6.3053 6.9277 6.9281 k = 0.5000 0.2463-0.0000 ( 22602 PWs) bands (ev): -43.2639 -43.2639 -43.2635 -43.2635 -43.2617 -43.2617 -43.2613 -43.2613 -10.9447 -10.9447 -10.7381 -10.7381 -10.6099 -10.6099 -10.5825 -10.5825 -4.1344 -4.1342 -4.0301 -4.0297 -3.8211 -3.8206 -2.0704 -2.0702 -1.5710 -1.5708 -1.0413 -1.0369 -0.9117 -0.9062 -0.1748 -0.1747 -0.1383 -0.1370 -0.0510 -0.0503 0.3434 0.3448 0.5381 0.5400 5.1656 5.1671 6.2655 6.2659 6.3738 6.3757 6.9463 6.9466 k = 0.5000 0.2586-0.0000 ( 22606 PWs) bands (ev): -43.2637 -43.2637 -43.2633 -43.2633 -43.2618 -43.2618 -43.2615 -43.2615 -10.9438 -10.9438 -10.7379 -10.7379 -10.6107 -10.6107 -10.5826 -10.5826 -4.1374 -4.1373 -4.0147 -4.0143 -3.8378 -3.8373 -2.0703 -2.0702 -1.5785 -1.5783 -1.0315 -1.0269 -0.9229 -0.9173 -0.1622 -0.1621 -0.1445 -0.1432 -0.0597 -0.0591 0.3560 0.3574 0.5405 0.5423 5.1610 5.1623 6.3076 6.3080 6.4396 6.4413 6.9708 6.9708 k = 0.5000 0.2709-0.0000 ( 22620 PWs) bands (ev): -43.2635 -43.2635 -43.2632 -43.2632 -43.2620 -43.2620 -43.2617 -43.2617 -10.9430 -10.9430 -10.7377 -10.7377 -10.6114 -10.6114 -10.5827 -10.5827 -4.1399 -4.1398 -3.9990 -3.9986 -3.8545 -3.8540 -2.0703 -2.0701 -1.5847 -1.5845 -1.0215 -1.0167 -0.9341 -0.9285 -0.1522 -0.1507 -0.1490 -0.1465 -0.0682 -0.0677 0.3666 0.3678 0.5426 0.5442 5.1570 5.1581 6.3412 6.3417 6.4985 6.5000 6.9988 6.9989 k = 0.5000 0.2833-0.0000 ( 22624 PWs) bands (ev): -43.2633 -43.2633 -43.2630 -43.2630 -43.2622 -43.2622 -43.2619 -43.2619 -10.9424 -10.9424 -10.7375 -10.7375 -10.6119 -10.6119 -10.5828 -10.5828 -4.1419 -4.1418 -3.9834 -3.9830 -3.8710 -3.8705 -2.0702 -2.0701 -1.5895 -1.5894 -1.0112 -1.0062 -0.9452 -0.9397 -0.1538 -0.1537 -0.1388 -0.1382 -0.0765 -0.0762 0.3751 0.3760 0.5443 0.5455 5.1537 5.1546 6.3665 6.3669 6.5482 6.5494 7.0273 7.0274 k = 0.5000 0.2956-0.0000 ( 22630 PWs) bands (ev): -43.2632 -43.2632 -43.2628 -43.2628 -43.2624 -43.2624 -43.2620 -43.2620 -10.9419 -10.9419 -10.7374 -10.7374 -10.6123 -10.6123 -10.5828 -10.5828 -4.1433 -4.1433 -3.9683 -3.9679 -3.8866 -3.8862 -2.0702 -2.0701 -1.5930 -1.5930 -1.0007 -0.9956 -0.9564 -0.9509 -0.1566 -0.1565 -0.1288 -0.1285 -0.0845 -0.0843 0.3812 0.3819 0.5456 0.5465 5.1514 5.1519 6.3839 6.3842 6.5861 6.5869 7.0521 7.0523 k = 0.5000 0.3079-0.0000 ( 22626 PWs) bands (ev): -43.2630 -43.2630 -43.2626 -43.2626 -43.2626 -43.2626 -43.2622 -43.2622 -10.9416 -10.9416 -10.7373 -10.7373 -10.6125 -10.6125 -10.5828 -10.5828 -4.1442 -4.1441 -3.9553 -3.9550 -3.9000 -3.8996 -2.0701 -2.0701 -1.5951 -1.5951 -0.9901 -0.9850 -0.9673 -0.9620 -0.1584 -0.1583 -0.1205 -0.1203 -0.0915 -0.0914 0.3850 0.3854 0.5465 0.5469 5.1499 5.1502 6.3940 6.3942 6.6100 6.6104 7.0692 7.0693 k = 0.5000 0.3202-0.0000 ( 22628 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9416 -10.9416 -10.7373 -10.7373 -10.6126 -10.6126 -10.5828 -10.5828 -4.1445 -4.1445 -3.9490 -3.9490 -3.9060 -3.9060 -2.0701 -2.0701 -1.5958 -1.5958 -0.9801 -0.9801 -0.9722 -0.9722 -0.1589 -0.1589 -0.1166 -0.1166 -0.0949 -0.0949 0.3864 0.3864 0.5469 0.5469 5.1496 5.1496 6.3974 6.3974 6.6183 6.6183 7.0753 7.0753 k = 0.5000 0.3202-0.0000 ( 22628 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9416 -10.9416 -10.7373 -10.7373 -10.6126 -10.6126 -10.5828 -10.5828 -4.1445 -4.1445 -3.9490 -3.9490 -3.9060 -3.9060 -2.0701 -2.0701 -1.5958 -1.5958 -0.9801 -0.9801 -0.9722 -0.9722 -0.1589 -0.1589 -0.1166 -0.1166 -0.0949 -0.0949 0.3864 0.3864 0.5469 0.5469 5.1496 5.1496 6.3974 6.3974 6.6183 6.6183 7.0753 7.0753 k = 0.4875 0.3202-0.0000 ( 22644 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9418 -10.9418 -10.7380 -10.7380 -10.6132 -10.6132 -10.5831 -10.5831 -4.1421 -4.1421 -3.9467 -3.9467 -3.9066 -3.9065 -2.0710 -2.0699 -1.5944 -1.5933 -0.9819 -0.9812 -0.9711 -0.9703 -0.1575 -0.1573 -0.1166 -0.1163 -0.0951 -0.0950 0.3857 0.3858 0.5465 0.5466 5.1492 5.1492 6.3995 6.3996 6.6199 6.6199 7.0773 7.0773 k = 0.4750 0.3202-0.0000 ( 22644 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9426 -10.9426 -10.7399 -10.7399 -10.6149 -10.6149 -10.5838 -10.5837 -4.1349 -4.1349 -3.9399 -3.9398 -3.9082 -3.9080 -2.0726 -2.0704 -1.5890 -1.5868 -0.9867 -0.9859 -0.9661 -0.9652 -0.1532 -0.1527 -0.1163 -0.1156 -0.0955 -0.0955 0.3837 0.3839 0.5454 0.5456 5.1483 5.1483 6.4059 6.4060 6.6247 6.6247 7.0831 7.0832 k = 0.4625 0.3202-0.0000 ( 22624 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9439 -10.9439 -10.7431 -10.7431 -10.6177 -10.6177 -10.5849 -10.5849 -4.1230 -4.1230 -3.9284 -3.9284 -3.9109 -3.9105 -2.0748 -2.0715 -1.5796 -1.5764 -0.9948 -0.9940 -0.9573 -0.9565 -0.1462 -0.1453 -0.1157 -0.1146 -0.0963 -0.0961 0.3805 0.3808 0.5437 0.5440 5.1466 5.1467 6.4165 6.4166 6.6327 6.6327 7.0928 7.0929 k = 0.4500 0.3202-0.0000 ( 22620 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9457 -10.9457 -10.7476 -10.7476 -10.6216 -10.6216 -10.5865 -10.5865 -4.1064 -4.1063 -3.9147 -3.9140 -3.9125 -3.9123 -2.0776 -2.0734 -1.5663 -1.5622 -1.0059 -1.0052 -0.9450 -0.9442 -0.1369 -0.1353 -0.1148 -0.1132 -0.0973 -0.0969 0.3760 0.3764 0.5413 0.5416 5.1443 5.1444 6.4314 6.4315 6.6438 6.6439 7.1064 7.1066 k = 0.4375 0.3202-0.0000 ( 22624 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9480 -10.9479 -10.7533 -10.7533 -10.6266 -10.6266 -10.5885 -10.5885 -4.0851 -4.0851 -3.9192 -3.9185 -3.8921 -3.8920 -2.0808 -2.0758 -1.5492 -1.5443 -1.0198 -1.0191 -0.9291 -0.9283 -0.1265 -0.1232 -0.1137 -0.1109 -0.0984 -0.0973 0.3704 0.3709 0.5382 0.5386 5.1413 5.1414 6.4506 6.4508 6.6581 6.6582 7.1240 7.1242 k = 0.4250 0.3202-0.0000 ( 22620 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9507 -10.9507 -10.7601 -10.7601 -10.6326 -10.6326 -10.5910 -10.5909 -4.0593 -4.0592 -3.9247 -3.9239 -3.8674 -3.8673 -2.0845 -2.0788 -1.5284 -1.5228 -1.0361 -1.0354 -0.9099 -0.9091 -0.1178 -0.1127 -0.1102 -0.1077 -0.0983 -0.0950 0.3637 0.3643 0.5345 0.5350 5.1375 5.1376 6.4741 6.4743 6.6754 6.6755 7.1456 7.1459 k = 0.4125 0.3202-0.0000 ( 22620 PWs) bands (ev): -43.2629 -43.2629 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9540 -10.9539 -10.7680 -10.7680 -10.6396 -10.6396 -10.5938 -10.5938 -4.0290 -4.0290 -3.9311 -3.9302 -3.8384 -3.8383 -2.0886 -2.0823 -1.5040 -1.4979 -1.0544 -1.0538 -0.8873 -0.8866 -0.1132 -0.1109 -0.1066 -0.1057 -0.0889 -0.0849 0.3559 0.3566 0.5302 0.5308 5.1329 5.1330 6.5020 6.5022 6.6958 6.6959 7.1711 7.1715 k = 0.4000 0.3202-0.0000 ( 22608 PWs) bands (ev): -43.2629 -43.2629 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9576 -10.9575 -10.7770 -10.7770 -10.6475 -10.6475 -10.5971 -10.5970 -3.9943 -3.9943 -3.9384 -3.9374 -3.8052 -3.8052 -2.0930 -2.0863 -1.4762 -1.4696 -1.0745 -1.0738 -0.8615 -0.8608 -0.1109 -0.1093 -0.1073 -0.1070 -0.0722 -0.0692 0.3471 0.3479 0.5254 0.5261 5.1275 5.1277 6.5342 6.5343 6.7191 6.7192 7.2007 7.2011 k = 0.3875 0.3202-0.0000 ( 22600 PWs) bands (ev): -43.2629 -43.2629 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9617 -10.9616 -10.7869 -10.7869 -10.6562 -10.6562 -10.6007 -10.6006 -3.9555 -3.9555 -3.9464 -3.9453 -3.7681 -3.7680 -2.0976 -2.0906 -1.4450 -1.4381 -1.0960 -1.0953 -0.8325 -0.8319 -0.1117 -0.1100 -0.1069 -0.1065 -0.0536 -0.0512 0.3375 0.3384 0.5200 0.5208 5.1213 5.1215 6.5707 6.5709 6.7451 6.7453 7.2343 7.2347 k = 0.3750 0.3202-0.0000 ( 22608 PWs) bands (ev): -43.2629 -43.2629 -43.2628 -43.2628 -43.2625 -43.2625 -43.2624 -43.2624 -10.9661 -10.9660 -10.7977 -10.7977 -10.6658 -10.6658 -10.6046 -10.6045 -3.9552 -3.9540 -3.9126 -3.9125 -3.7272 -3.7271 -2.1024 -2.0952 -1.4107 -1.4036 -1.1186 -1.1179 -0.8006 -0.7999 -0.1145 -0.1130 -0.1049 -0.1042 -0.0340 -0.0319 0.3272 0.3282 0.5142 0.5151 5.1142 5.1145 6.6115 6.6117 6.7738 6.7740 7.2523 7.2523 k = 0.3625 0.3202-0.0000 ( 22600 PWs) bands (ev): -43.2629 -43.2629 -43.2628 -43.2628 -43.2625 -43.2625 -43.2625 -43.2625 -10.9709 -10.9708 -10.8093 -10.8093 -10.6761 -10.6761 -10.6089 -10.6087 -3.9646 -3.9633 -3.8657 -3.8657 -3.6825 -3.6824 -2.1074 -2.1001 -1.3734 -1.3662 -1.1421 -1.1414 -0.7657 -0.7652 -0.1179 -0.1165 -0.1026 -0.1016 -0.0137 -0.0118 0.3162 0.3172 0.5080 0.5089 5.1063 5.1066 6.6566 6.6568 6.8049 6.8050 7.2286 7.2288 k = 0.3500 0.3202-0.0000 ( 22606 PWs) bands (ev): -43.2629 -43.2629 -43.2628 -43.2628 -43.2625 -43.2625 -43.2625 -43.2625 -10.9760 -10.9759 -10.8215 -10.8215 -10.6870 -10.6870 -10.6134 -10.6133 -3.9745 -3.9732 -3.8152 -3.8151 -3.6344 -3.6343 -2.1126 -2.1052 -1.3332 -1.3261 -1.1662 -1.1655 -0.7281 -0.7277 -0.1217 -0.1203 -0.1001 -0.0988 0.0069 0.0087 0.3046 0.3058 0.5014 0.5024 5.0976 5.0980 6.7059 6.7061 6.8378 6.8379 7.2014 7.2016 k = 0.3375 0.3202-0.0000 ( 22608 PWs) bands (ev): -43.2629 -43.2629 -43.2628 -43.2628 -43.2625 -43.2625 -43.2625 -43.2625 -10.9814 -10.9813 -10.8344 -10.8344 -10.6986 -10.6986 -10.6182 -10.6180 -3.9850 -3.9837 -3.7611 -3.7610 -3.5830 -3.5829 -2.1178 -2.1105 -1.2905 -1.2834 -1.1907 -1.1900 -0.6879 -0.6877 -0.1260 -0.1246 -0.0975 -0.0959 0.0277 0.0294 0.2927 0.2940 0.4945 0.4955 5.0882 5.0887 6.7594 6.7596 6.8719 6.8720 7.1709 7.1712 k = 0.3250 0.3202-0.0000 ( 22598 PWs) bands (ev): -43.2629 -43.2629 -43.2628 -43.2628 -43.2625 -43.2625 -43.2625 -43.2625 -10.9870 -10.9869 -10.8478 -10.8478 -10.7105 -10.7105 -10.6232 -10.6230 -3.9959 -3.9945 -3.7036 -3.7036 -3.5285 -3.5284 -2.1232 -2.1159 -1.2453 -1.2384 -1.2154 -1.2147 -0.6454 -0.6454 -0.1305 -0.1292 -0.0946 -0.0927 0.0485 0.0501 0.2805 0.2819 0.4873 0.4884 5.0781 5.0786 6.8169 6.8171 6.9058 6.9058 7.1375 7.1378 k = 0.3125 0.3202-0.0000 ( 22610 PWs) bands (ev): -43.2629 -43.2629 -43.2628 -43.2628 -43.2626 -43.2626 -43.2625 -43.2625 -10.9928 -10.9927 -10.8616 -10.8616 -10.7230 -10.7229 -10.6284 -10.6282 -4.0071 -4.0057 -3.6431 -3.6430 -3.4713 -3.4711 -2.1286 -2.1214 -1.2402 -1.2395 -1.1978 -1.1911 -0.6011 -0.6009 -0.1355 -0.1341 -0.0916 -0.0892 0.0690 0.0706 0.2682 0.2697 0.4799 0.4811 5.0674 5.0679 6.8783 6.8785 6.9362 6.9364 7.1025 7.1029 k = 0.3000 0.3202-0.0000 ( 22610 PWs) bands (ev): -43.2629 -43.2629 -43.2628 -43.2628 -43.2626 -43.2626 -43.2625 -43.2625 -10.9989 -10.9987 -10.8757 -10.8757 -10.7357 -10.7357 -10.6337 -10.6336 -4.0186 -4.0172 -3.5797 -3.5796 -3.4114 -3.4112 -2.1341 -2.1270 -1.2648 -1.2641 -1.1485 -1.1420 -0.5551 -0.5545 -0.1408 -0.1394 -0.0882 -0.0854 0.0892 0.0908 0.2560 0.2576 0.4723 0.4736 5.0561 5.0567 6.9434 6.9436 6.9551 6.9554 7.0706 7.0708 k = 0.2875 0.3202-0.0000 ( 22618 PWs) bands (ev): -43.2629 -43.2629 -43.2628 -43.2628 -43.2626 -43.2626 -43.2625 -43.2625 -11.0050 -11.0049 -10.8901 -10.8901 -10.7486 -10.7486 -10.6392 -10.6390 -4.0303 -4.0289 -3.5137 -3.5136 -3.3492 -3.3491 -2.1395 -2.1327 -1.2892 -1.2885 -1.0974 -1.0911 -0.5076 -0.5066 -0.1464 -0.1450 -0.0843 -0.0811 0.1090 0.1105 0.2439 0.2457 0.4647 0.4660 5.0444 5.0450 6.9443 6.9444 7.0119 7.0122 7.0515 7.0520 k = 0.2750 0.3202-0.0000 ( 22610 PWs) bands (ev): -43.2630 -43.2630 -43.2629 -43.2629 -43.2626 -43.2626 -43.2625 -43.2625 -11.0113 -11.0111 -10.9046 -10.9046 -10.7617 -10.7617 -10.6447 -10.6446 -4.0422 -4.0408 -3.4453 -3.4452 -3.2851 -3.2849 -2.1450 -2.1384 -1.3133 -1.3125 -1.0448 -1.0389 -0.4593 -0.4577 -0.1524 -0.1509 -0.0798 -0.0760 0.1280 0.1296 0.2323 0.2342 0.4571 0.4585 5.0323 5.0330 6.8971 6.8972 7.0343 7.0361 7.0837 7.0837 k = 0.2625 0.3202-0.0000 ( 22620 PWs) bands (ev): -43.2630 -43.2630 -43.2629 -43.2629 -43.2626 -43.2626 -43.2626 -43.2626 -11.0175 -11.0174 -10.9191 -10.9191 -10.7749 -10.7749 -10.6503 -10.6502 -4.0541 -4.0526 -3.3749 -3.3748 -3.2192 -3.2190 -2.1504 -2.1440 -1.3368 -1.3361 -0.9912 -0.9856 -0.4106 -0.4084 -0.1587 -0.1572 -0.0744 -0.0698 0.1463 0.1478 0.2214 0.2234 0.4496 0.4509 5.0199 5.0207 6.8238 6.8240 6.9851 6.9873 7.1575 7.1575 k = 0.2500 0.3202-0.0000 ( 22596 PWs) bands (ev): -43.2630 -43.2630 -43.2629 -43.2629 -43.2626 -43.2626 -43.2626 -43.2626 -11.0239 -11.0237 -10.9335 -10.9335 -10.7880 -10.7880 -10.6560 -10.6558 -4.0659 -4.0645 -3.3028 -3.3027 -3.1519 -3.1517 -2.1558 -2.1497 -1.3598 -1.3591 -0.9367 -0.9316 -0.3625 -0.3594 -0.1653 -0.1638 -0.0675 -0.0621 0.1634 0.1650 0.2115 0.2136 0.4422 0.4436 5.0074 5.0082 6.7287 6.7290 6.8939 6.8958 7.1182 7.1185 k = 0.2375 0.3202-0.0000 ( 22588 PWs) bands (ev): -43.2630 -43.2630 -43.2629 -43.2629 -43.2626 -43.2626 -43.2626 -43.2626 -11.0301 -11.0300 -10.9478 -10.9478 -10.8011 -10.8011 -10.6616 -10.6614 -4.0776 -4.0763 -3.2293 -3.2292 -3.0836 -3.0834 -2.1610 -2.1552 -1.3822 -1.3814 -0.8819 -0.8772 -0.3160 -0.3119 -0.1722 -0.1708 -0.0582 -0.0519 0.1783 0.1801 0.2038 0.2059 0.4350 0.4364 4.9948 4.9956 6.6155 6.6157 6.7754 6.7767 7.0498 7.0498 k = 0.2250 0.3202-0.0000 ( 22580 PWs) bands (ev): -43.2630 -43.2630 -43.2629 -43.2629 -43.2626 -43.2626 -43.2626 -43.2626 -11.0364 -11.0362 -10.9619 -10.9619 -10.8140 -10.8140 -10.6671 -10.6670 -4.0892 -4.0879 -3.1548 -3.1547 -3.0147 -3.0144 -2.1662 -2.1607 -1.4037 -1.4030 -0.8272 -0.8229 -0.2727 -0.2675 -0.1795 -0.1780 -0.0453 -0.0379 0.1851 0.1877 0.2044 0.2060 0.4281 0.4295 4.9822 4.9830 6.4897 6.4900 6.6432 6.6441 6.9931 6.9932 k = 0.2125 0.3202-0.0000 ( 22582 PWs) bands (ev): -43.2630 -43.2630 -43.2629 -43.2629 -43.2626 -43.2626 -43.2626 -43.2626 -11.0425 -11.0424 -10.9757 -10.9757 -10.8266 -10.8266 -10.6726 -10.6724 -4.1005 -4.0993 -3.0796 -3.0795 -2.9454 -2.9451 -2.1713 -2.1660 -1.4245 -1.4237 -0.7730 -0.7691 -0.2345 -0.2284 -0.1871 -0.1856 -0.0269 -0.0187 0.1817 0.1846 0.2156 0.2170 0.4216 0.4230 4.9698 4.9706 6.3570 6.3572 6.5049 6.5056 6.9451 6.9452 k = 0.2000 0.3202-0.0000 ( 22582 PWs) bands (ev): -43.2630 -43.2630 -43.2629 -43.2629 -43.2626 -43.2626 -43.2626 -43.2626 -11.0485 -11.0484 -10.9891 -10.9891 -10.8389 -10.8389 -10.6779 -10.6778 -4.1116 -4.1103 -3.0042 -3.0041 -2.8763 -2.8760 -2.1762 -2.1713 -1.4444 -1.4436 -0.7198 -0.7164 -0.2032 -0.1980 -0.1950 -0.1921 -0.0014 0.0073 0.1772 0.1802 0.2284 0.2299 0.4156 0.4170 4.9575 4.9584 6.2216 6.2217 6.3652 6.3656 6.9030 6.9030 k = 0.1875 0.3202-0.0000 ( 22572 PWs) bands (ev): -43.2630 -43.2630 -43.2629 -43.2629 -43.2627 -43.2627 -43.2626 -43.2626 -11.0543 -11.0542 -11.0021 -11.0021 -10.8508 -10.8508 -10.6831 -10.6830 -4.1223 -4.1211 -2.9290 -2.9289 -2.8077 -2.8074 -2.1809 -2.1763 -1.4633 -1.4625 -0.6681 -0.6653 -0.2031 -0.2021 -0.1794 -0.1726 0.0318 0.0401 0.1739 0.1772 0.2406 0.2421 0.4103 0.4116 4.9456 4.9464 6.0863 6.0864 6.2267 6.2270 6.8653 6.8653 k = 0.1750 0.3202-0.0000 ( 22576 PWs) bands (ev): -43.2630 -43.2630 -43.2630 -43.2630 -43.2627 -43.2627 -43.2626 -43.2626 -11.0599 -11.0598 -11.0145 -11.0145 -10.8622 -10.8622 -10.6881 -10.6880 -4.1325 -4.1314 -2.8544 -2.8543 -2.7402 -2.7398 -2.1855 -2.1811 -1.4813 -1.4805 -0.6187 -0.6164 -0.2116 -0.2105 -0.1623 -0.1562 0.0712 0.0784 0.1726 0.1764 0.2517 0.2533 0.4057 0.4070 4.9340 4.9349 5.9533 5.9534 6.0913 6.0915 6.8310 6.8311 k = 0.1625 0.3202-0.0000 ( 22568 PWs) bands (ev): -43.2630 -43.2630 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.0653 -11.0652 -11.0264 -11.0264 -10.8731 -10.8731 -10.6929 -10.6928 -4.1423 -4.1412 -2.7810 -2.7809 -2.6741 -2.6738 -2.1898 -2.1858 -1.4982 -1.4974 -0.5720 -0.5703 -0.2202 -0.2192 -0.1502 -0.1450 0.1139 0.1196 0.1740 0.1786 0.2615 0.2632 0.4020 0.4032 4.9229 4.9237 5.8241 5.8242 5.9603 5.9605 6.7997 6.7998 k = 0.1500 0.3202-0.0000 ( 22568 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.0704 -11.0703 -11.0376 -11.0376 -10.8835 -10.8835 -10.6975 -10.6974 -4.1516 -4.1506 -2.7093 -2.7091 -2.6101 -2.6097 -2.1939 -2.1902 -1.5140 -1.5132 -0.5286 -0.5274 -0.2290 -0.2281 -0.1417 -0.1372 0.1554 0.1577 0.1806 0.1879 0.2701 0.2718 0.3993 0.4004 4.9123 4.9131 5.7001 5.7001 5.8350 5.8351 6.7711 6.7711 k = 0.1375 0.3202-0.0000 ( 22572 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.0752 -11.0751 -11.0481 -11.0481 -10.8932 -10.8932 -10.7018 -10.7017 -4.1603 -4.1593 -2.6398 -2.6396 -2.5485 -2.5481 -2.1977 -2.1943 -1.5287 -1.5279 -0.4890 -0.4884 -0.2378 -0.2371 -0.1354 -0.1316 0.1768 0.1777 0.2096 0.2174 0.2776 0.2794 0.3978 0.3988 4.9023 4.9031 5.5822 5.5823 5.7161 5.7162 6.7449 6.7449 k = 0.1250 0.3202-0.0000 ( 22564 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.0797 -11.0796 -11.0579 -11.0579 -10.9022 -10.9022 -10.7058 -10.7057 -4.1683 -4.1675 -2.5731 -2.5730 -2.4900 -2.4896 -2.2013 -2.1982 -1.5422 -1.5414 -0.4537 -0.4535 -0.2467 -0.2461 -0.1308 -0.1275 0.1868 0.1885 0.2495 0.2554 0.2853 0.2874 0.3975 0.3985 4.8929 4.8937 5.4715 5.4715 5.6045 5.6046 6.7211 6.7211 k = 0.1125 0.3202-0.0000 ( 22564 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.0839 -11.0838 -11.0668 -11.0668 -10.9105 -10.9105 -10.7095 -10.7094 -4.1758 -4.1750 -2.5099 -2.5097 -2.4351 -2.4346 -2.2045 -2.2017 -1.5545 -1.5537 -0.4231 -0.4228 -0.2555 -0.2551 -0.1272 -0.1245 0.1975 0.1995 0.2769 0.2802 0.3030 0.3066 0.3988 0.3999 4.8843 4.8850 5.3687 5.3687 5.5010 5.5010 6.6996 6.6997 k = 0.1000 0.3202-0.0000 ( 22568 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.0876 -11.0875 -11.0750 -11.0750 -10.9181 -10.9181 -10.7129 -10.7128 -4.1825 -4.1818 -2.4507 -2.4506 -2.3843 -2.3838 -2.2075 -2.2050 -1.5655 -1.5648 -0.3972 -0.3964 -0.2640 -0.2639 -0.1244 -0.1221 0.2098 0.2118 0.2844 0.2868 0.3355 0.3390 0.4025 0.4038 4.8764 4.8771 5.2746 5.2746 5.4062 5.4062 6.6804 6.6804 k = 0.0875 0.3202-0.0000 ( 22564 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.0910 -11.0909 -11.0822 -11.0822 -10.9248 -10.9248 -10.7159 -10.7158 -4.1885 -4.1879 -2.3962 -2.3961 -2.3381 -2.3377 -2.2101 -2.2079 -1.5753 -1.5746 -0.3755 -0.3743 -0.2723 -0.2722 -0.1222 -0.1203 0.2233 0.2251 0.2872 0.2894 0.3642 0.3664 0.4112 0.4131 4.8693 4.8700 5.1898 5.1898 5.3207 5.3207 6.6635 6.6635 k = 0.0750 0.3202-0.0000 ( 22566 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.0939 -11.0939 -11.0886 -11.0886 -10.9307 -10.9307 -10.7185 -10.7185 -4.1938 -4.1932 -2.3471 -2.3470 -2.2971 -2.2967 -2.2124 -2.2105 -1.5839 -1.5832 -0.3579 -0.3564 -0.2802 -0.2797 -0.1205 -0.1189 0.2372 0.2386 0.2885 0.2908 0.3812 0.3822 0.4289 0.4314 4.8631 4.8637 5.1150 5.1150 5.2453 5.2453 6.6488 6.6488 k = 0.0625 0.3202-0.0000 ( 22566 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.0965 -11.0964 -11.0940 -11.0940 -10.9358 -10.9358 -10.7208 -10.7207 -4.1982 -4.1978 -2.3039 -2.3039 -2.2618 -2.2614 -2.2143 -2.2127 -1.5911 -1.5905 -0.3440 -0.3422 -0.2874 -0.2866 -0.1191 -0.1178 0.2509 0.2518 0.2891 0.2915 0.3889 0.3894 0.4519 0.4543 4.8578 4.8583 5.0508 5.0508 5.1804 5.1804 6.6308 6.6334 k = 0.0500 0.3202-0.0000 ( 22570 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.0986 -11.0986 -11.0985 -11.0985 -10.9399 -10.9399 -10.7227 -10.7226 -4.2019 -4.2016 -2.2673 -2.2673 -2.2325 -2.2322 -2.2158 -2.2146 -1.5971 -1.5966 -0.3333 -0.3312 -0.2937 -0.2925 -0.1180 -0.1170 0.2635 0.2636 0.2893 0.2918 0.3930 0.3933 0.4739 0.4759 4.8534 4.8538 4.9975 4.9975 5.1265 5.1265 6.5813 6.5831 k = 0.0375 0.3202-0.0000 ( 22562 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.1020 -11.1020 -11.1002 -11.1002 -10.9432 -10.9432 -10.7241 -10.7241 -4.2048 -4.2045 -2.2379 -2.2378 -2.2171 -2.2161 -2.2097 -2.2094 -1.6017 -1.6013 -0.3254 -0.3230 -0.2989 -0.2973 -0.1172 -0.1165 0.2735 0.2742 0.2892 0.2920 0.3956 0.3957 0.4923 0.4938 4.8499 4.8503 4.9557 4.9557 5.0842 5.0842 6.5421 6.5434 k = 0.0250 0.3202-0.0000 ( 22536 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.1045 -11.1045 -11.1014 -11.1013 -10.9455 -10.9455 -10.7252 -10.7252 -4.2069 -4.2067 -2.2179 -2.2176 -2.2160 -2.2157 -2.1936 -2.1934 -1.6049 -1.6047 -0.3199 -0.3175 -0.3028 -0.3009 -0.1166 -0.1161 0.2806 0.2824 0.2891 0.2922 0.3972 0.3974 0.5059 0.5069 4.8475 4.8477 4.9256 4.9256 5.0536 5.0536 6.5138 6.5147 k = 0.0125 0.3202-0.0000 ( 22550 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.1061 -11.1061 -11.1021 -11.1021 -10.9469 -10.9469 -10.7258 -10.7258 -4.2081 -4.2080 -2.2183 -2.2180 -2.2025 -2.2024 -2.1842 -2.1840 -1.6069 -1.6067 -0.3163 -0.3146 -0.3050 -0.3035 -0.1162 -0.1159 0.2849 0.2868 0.2898 0.2925 0.3982 0.3983 0.5143 0.5148 4.8460 4.8461 4.9074 4.9074 5.0352 5.0352 6.4968 6.4973 k = 0.0000 0.3202-0.0000 ( 22554 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.1066 -11.1066 -11.1023 -11.1023 -10.9474 -10.9474 -10.7260 -10.7260 -4.2085 -4.2085 -2.2183 -2.2183 -2.1978 -2.1978 -2.1810 -2.1810 -1.6075 -1.6075 -0.3144 -0.3144 -0.3050 -0.3050 -0.1160 -0.1160 0.2868 0.2868 0.2919 0.2919 0.3986 0.3986 0.5173 0.5173 4.8455 4.8455 4.9013 4.9013 5.0291 5.0291 6.4913 6.4913 k = 0.0000 0.3202-0.0000 ( 22554 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.1066 -11.1066 -11.1023 -11.1023 -10.9474 -10.9474 -10.7260 -10.7260 -4.2085 -4.2085 -2.2183 -2.2183 -2.1978 -2.1978 -2.1810 -2.1810 -1.6075 -1.6075 -0.3144 -0.3144 -0.3050 -0.3050 -0.1160 -0.1160 0.2868 0.2868 0.2919 0.2919 0.3986 0.3986 0.5173 0.5173 4.8455 4.8455 4.9013 4.9013 5.0291 5.0291 6.4913 6.4913 k = 0.0000 0.3079-0.0000 ( 22550 PWs) bands (ev): -43.2633 -43.2633 -43.2629 -43.2629 -43.2629 -43.2629 -43.2626 -43.2626 -11.1170 -11.1169 -11.0919 -11.0918 -10.9475 -10.9475 -10.7259 -10.7259 -4.2082 -4.2082 -2.2184 -2.2184 -2.1979 -2.1979 -2.1810 -2.1810 -1.6068 -1.6067 -0.3706 -0.3652 -0.2537 -0.2472 -0.1171 -0.1168 0.2864 0.2873 0.2919 0.2921 0.3975 0.3977 0.5172 0.5173 4.8443 4.8451 4.9021 4.9021 5.0279 5.0282 6.4864 6.4865 k = 0.0000 0.2956-0.0000 ( 22542 PWs) bands (ev): -43.2635 -43.2635 -43.2631 -43.2631 -43.2627 -43.2627 -43.2624 -43.2624 -11.1292 -11.1290 -11.0796 -11.0795 -10.9478 -10.9478 -10.7257 -10.7257 -4.2073 -4.2073 -2.2187 -2.2186 -2.1980 -2.1980 -2.1810 -2.1810 -1.6048 -1.6046 -0.4271 -0.4222 -0.1941 -0.1869 -0.1202 -0.1196 0.2861 0.2879 0.2922 0.2925 0.3945 0.3950 0.5171 0.5173 4.8414 4.8429 4.9042 4.9043 5.0246 5.0252 6.4730 6.4732 k = 0.0000 0.2833-0.0000 ( 22534 PWs) bands (ev): -43.2636 -43.2636 -43.2633 -43.2633 -43.2625 -43.2625 -43.2622 -43.2622 -11.1412 -11.1411 -11.0672 -11.0671 -10.9483 -10.9483 -10.7253 -10.7253 -4.2058 -4.2058 -2.2190 -2.2189 -2.1983 -2.1983 -2.1810 -2.1810 -1.6013 -1.6011 -0.4824 -0.4779 -0.1343 -0.1278 -0.1238 -0.1232 0.2860 0.2887 0.2927 0.2934 0.3897 0.3903 0.5168 0.5171 4.8368 4.8391 4.9078 4.9078 5.0193 5.0203 6.4537 6.4540 k = 0.0000 0.2709-0.0000 ( 22546 PWs) bands (ev): -43.2638 -43.2638 -43.2635 -43.2635 -43.2623 -43.2623 -43.2620 -43.2620 -11.1531 -11.1530 -11.0549 -11.0548 -10.9490 -10.9490 -10.7247 -10.7247 -4.2038 -4.2038 -2.2195 -2.2194 -2.1987 -2.1986 -2.1809 -2.1809 -1.5966 -1.5962 -0.5362 -0.5320 -0.1323 -0.1310 -0.0730 -0.0638 0.2861 0.2895 0.2933 0.2948 0.3829 0.3839 0.5165 0.5169 4.8305 4.8334 4.9127 4.9127 5.0121 5.0134 6.4309 6.4311 k = 0.0000 0.2586-0.0000 ( 22548 PWs) bands (ev): -43.2640 -43.2640 -43.2637 -43.2637 -43.2621 -43.2621 -43.2618 -43.2618 -11.1648 -11.1647 -11.0427 -11.0426 -10.9498 -10.9498 -10.7240 -10.7240 -4.2012 -4.2012 -2.2201 -2.2200 -2.1991 -2.1991 -2.1809 -2.1809 -1.5905 -1.5901 -0.5884 -0.5846 -0.1409 -0.1393 -0.0124 -0.0016 0.2863 0.2904 0.2942 0.2968 0.3744 0.3756 0.5162 0.5166 4.8223 4.8260 4.9188 4.9189 5.0030 5.0047 6.4061 6.4063 k = 0.0000 0.2463-0.0000 ( 22560 PWs) bands (ev): -43.2642 -43.2642 -43.2639 -43.2639 -43.2620 -43.2620 -43.2616 -43.2616 -11.1762 -11.1761 -11.0307 -11.0306 -10.9508 -10.9508 -10.7232 -10.7232 -4.1982 -4.1981 -2.2209 -2.2207 -2.1997 -2.1996 -2.1809 -2.1808 -1.5832 -1.5827 -0.6389 -0.6354 -0.1512 -0.1492 0.0477 0.0607 0.2866 0.2913 0.2954 0.2998 0.3641 0.3656 0.5159 0.5164 4.8124 4.8167 4.9261 4.9262 4.9924 4.9943 6.3804 6.3805 k = 0.0000 0.2340-0.0000 ( 22552 PWs) bands (ev): -43.2644 -43.2644 -43.2640 -43.2640 -43.2618 -43.2618 -43.2615 -43.2615 -11.1873 -11.1872 -11.0189 -11.0188 -10.9520 -10.9520 -10.7222 -10.7222 -4.1947 -4.1946 -2.2217 -2.2215 -2.2003 -2.2002 -2.1808 -2.1808 -1.5747 -1.5741 -0.6876 -0.6843 -0.1629 -0.1606 0.1063 0.1228 0.2870 0.2923 0.2970 0.3045 0.3523 0.3541 0.5156 0.5161 4.8005 4.8054 4.9345 4.9346 4.9802 4.9824 6.3548 6.3548 k = 0.0000 0.2217-0.0000 ( 22538 PWs) bands (ev): -43.2645 -43.2645 -43.2642 -43.2642 -43.2616 -43.2616 -43.2613 -43.2613 -11.1980 -11.1979 -11.0074 -11.0073 -10.9533 -10.9533 -10.7212 -10.7212 -4.1907 -4.1907 -2.2226 -2.2224 -2.2010 -2.2009 -2.1808 -2.1808 -1.5651 -1.5644 -0.7344 -0.7314 -0.1759 -0.1734 0.1615 0.1838 0.2875 0.2934 0.2994 0.3124 0.3392 0.3412 0.5153 0.5158 4.7866 4.7922 4.9438 4.9438 4.9668 4.9693 6.3295 6.3297 k = 0.0000 0.2094-0.0000 ( 22528 PWs) bands (ev): -43.2647 -43.2647 -43.2644 -43.2644 -43.2614 -43.2614 -43.2611 -43.2611 -11.2084 -11.2083 -10.9962 -10.9961 -10.9546 -10.9546 -10.7200 -10.7200 -4.1864 -4.1864 -2.2236 -2.2234 -2.2017 -2.2017 -2.1807 -2.1807 -1.5545 -1.5537 -0.7791 -0.7764 -0.1900 -0.1873 0.2092 0.2408 0.2882 0.2944 0.3047 0.3222 0.3277 0.3302 0.5151 0.5156 4.7708 4.7768 4.9525 4.9536 4.9538 4.9555 6.3052 6.3055 k = 0.0000 0.1970-0.0000 ( 22518 PWs) bands (ev): -43.2649 -43.2649 -43.2645 -43.2645 -43.2613 -43.2613 -43.2610 -43.2610 -11.2184 -11.2183 -10.9853 -10.9852 -10.9561 -10.9561 -10.7189 -10.7189 -4.1819 -4.1818 -2.2246 -2.2244 -2.2025 -2.2025 -2.1807 -2.1807 -1.5430 -1.5422 -0.8218 -0.8193 -0.2050 -0.2021 0.2428 0.2786 0.2889 0.2949 0.3088 0.3102 0.3315 0.3572 0.5149 0.5154 4.7530 4.7594 4.9375 4.9403 4.9643 4.9645 6.2822 6.2826 k = 0.0000 0.1847-0.0000 ( 22516 PWs) bands (ev): -43.2650 -43.2650 -43.2647 -43.2647 -43.2611 -43.2611 -43.2608 -43.2608 -11.2279 -11.2278 -10.9748 -10.9747 -10.9576 -10.9576 -10.7176 -10.7176 -4.1770 -4.1769 -2.2257 -2.2255 -2.2033 -2.2033 -2.1807 -2.1807 -1.5307 -1.5298 -0.8623 -0.8600 -0.2207 -0.2176 0.2612 0.2845 0.2890 0.2891 0.2996 0.3005 0.3812 0.3998 0.5148 0.5152 4.7333 4.7400 4.9221 4.9250 4.9753 4.9755 6.2605 6.2611 k = 0.0000 0.1724-0.0000 ( 22526 PWs) bands (ev): -43.2652 -43.2652 -43.2648 -43.2648 -43.2610 -43.2610 -43.2607 -43.2607 -11.2369 -11.2368 -10.9648 -10.9647 -10.9591 -10.9591 -10.7164 -10.7164 -4.1720 -4.1719 -2.2268 -2.2266 -2.2042 -2.2041 -2.1807 -2.1806 -1.5178 -1.5169 -0.9006 -0.8985 -0.2368 -0.2336 0.2669 0.2721 0.2768 0.2899 0.2993 0.2997 0.4379 0.4503 0.5148 0.5151 4.7118 4.7186 4.9066 4.9096 4.9866 4.9867 6.2403 6.2411 k = 0.0000 0.1601-0.0000 ( 22526 PWs) bands (ev): -43.2653 -43.2653 -43.2650 -43.2650 -43.2608 -43.2608 -43.2605 -43.2605 -11.2455 -11.2454 -10.9606 -10.9606 -10.9553 -10.9552 -10.7151 -10.7151 -4.1669 -4.1668 -2.2279 -2.2277 -2.2051 -2.2050 -2.1806 -2.1806 -1.5044 -1.5035 -0.9365 -0.9346 -0.2532 -0.2498 0.2528 0.2551 0.2787 0.2907 0.3006 0.3008 0.4948 0.5023 0.5150 0.5159 4.6887 4.6955 4.8913 4.8941 4.9979 4.9980 6.2217 6.2226 k = 0.0000 0.1478-0.0000 ( 22548 PWs) bands (ev): -43.2655 -43.2655 -43.2651 -43.2651 -43.2607 -43.2607 -43.2604 -43.2604 -11.2535 -11.2534 -10.9621 -10.9621 -10.9462 -10.9461 -10.7139 -10.7139 -4.1618 -4.1617 -2.2290 -2.2287 -2.2059 -2.2059 -2.1806 -2.1806 -1.4908 -1.4897 -0.9701 -0.9684 -0.2696 -0.2661 0.2349 0.2371 0.2822 0.2916 0.3021 0.3021 0.5141 0.5149 0.5504 0.5572 4.6643 4.6710 4.8763 4.8790 5.0092 5.0093 6.2045 6.2056 k = 0.0000 0.1355-0.0000 ( 22561 PWs) bands (ev): -43.2656 -43.2656 -43.2652 -43.2652 -43.2606 -43.2606 -43.2603 -43.2603 -11.2610 -11.2609 -10.9636 -10.9636 -10.9378 -10.9377 -10.7127 -10.7127 -4.1567 -4.1566 -2.2301 -2.2298 -2.2068 -2.2067 -2.1806 -2.1806 -1.4770 -1.4759 -1.0012 -0.9997 -0.2857 -0.2822 0.2166 0.2188 0.2849 0.2923 0.3035 0.3035 0.5143 0.5148 0.6039 0.6089 4.6389 4.6454 4.8618 4.8644 5.0201 5.0202 6.1888 6.1900 k = 0.0000 0.1232-0.0000 ( 22567 PWs) bands (ev): -43.2657 -43.2657 -43.2653 -43.2653 -43.2605 -43.2605 -43.2602 -43.2602 -11.2679 -11.2678 -10.9650 -10.9650 -10.9299 -10.9299 -10.7116 -10.7116 -4.1518 -4.1517 -2.2311 -2.2308 -2.2076 -2.2075 -2.1806 -2.1806 -1.4633 -1.4622 -1.0298 -1.0284 -0.3013 -0.2979 0.1984 0.2007 0.2870 0.2931 0.3048 0.3049 0.5144 0.5148 0.6548 0.6586 4.6131 4.6193 4.8481 4.8505 5.0307 5.0308 6.1744 6.1757 k = 0.0000 0.1108-0.0000 ( 22573 PWs) bands (ev): -43.2658 -43.2658 -43.2654 -43.2654 -43.2604 -43.2604 -43.2601 -43.2601 -11.2742 -11.2741 -10.9663 -10.9663 -10.9227 -10.9226 -10.7105 -10.7105 -4.1470 -4.1470 -2.2321 -2.2318 -2.2084 -2.2083 -2.1807 -2.1806 -1.4498 -1.4488 -1.0558 -1.0546 -0.3163 -0.3130 0.1809 0.1831 0.2888 0.2938 0.3061 0.3062 0.5144 0.5148 0.7028 0.7057 4.5873 4.5931 4.8352 4.8374 5.0407 5.0408 6.1613 6.1627 k = 0.0000 0.0985-0.0000 ( 22591 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2603 -43.2603 -43.2600 -43.2600 -11.2799 -11.2798 -10.9676 -10.9676 -10.9162 -10.9161 -10.7095 -10.7095 -4.1426 -4.1425 -2.2330 -2.2327 -2.2091 -2.2091 -2.1807 -2.1807 -1.4370 -1.4360 -1.0792 -1.0782 -0.3303 -0.3271 0.1641 0.1663 0.2903 0.2944 0.3073 0.3074 0.5145 0.5148 0.7473 0.7495 4.5621 4.5674 4.8234 4.8252 5.0500 5.0501 6.1494 6.1509 k = 0.0000 0.0862-0.0000 ( 22587 PWs) bands (ev): -43.2660 -43.2660 -43.2656 -43.2656 -43.2602 -43.2602 -43.2599 -43.2599 -11.2849 -11.2849 -10.9687 -10.9687 -10.9103 -10.9103 -10.7086 -10.7086 -4.1384 -4.1384 -2.2338 -2.2336 -2.2098 -2.2097 -2.1807 -2.1807 -1.4248 -1.4239 -1.1000 -1.0991 -0.3433 -0.3403 0.1485 0.1505 0.2916 0.2950 0.3084 0.3086 0.5146 0.5149 0.7879 0.7895 4.5381 4.5429 4.8126 4.8142 5.0585 5.0586 6.1387 6.1402 k = 0.0000 0.0739-0.0000 ( 22581 PWs) bands (ev): -43.2661 -43.2661 -43.2657 -43.2657 -43.2601 -43.2601 -43.2598 -43.2598 -11.2893 -11.2893 -10.9697 -10.9697 -10.9052 -10.9051 -10.7078 -10.7078 -4.1347 -4.1346 -2.2345 -2.2343 -2.2104 -2.2103 -2.1807 -2.1807 -1.4137 -1.4128 -1.1181 -1.1173 -0.3549 -0.3522 0.1344 0.1362 0.2927 0.2955 0.3094 0.3096 0.5147 0.5149 0.8241 0.8254 4.5159 4.5200 4.8030 4.8044 5.0661 5.0662 6.1292 6.1307 k = 0.0000 0.0616-0.0000 ( 22581 PWs) bands (ev): -43.2661 -43.2661 -43.2657 -43.2657 -43.2600 -43.2600 -43.2597 -43.2597 -11.2931 -11.2930 -10.9706 -10.9706 -10.9008 -10.9008 -10.7070 -10.7070 -4.1314 -4.1314 -2.2351 -2.2350 -2.2109 -2.2109 -2.1807 -2.1807 -1.4038 -1.4030 -1.1334 -1.1327 -0.3650 -0.3626 0.1219 0.1235 0.2937 0.2959 0.3103 0.3104 0.5147 0.5149 0.8556 0.8566 4.4960 4.4995 4.7948 4.7959 5.0727 5.0728 6.1210 6.1223 k = 0.0000 0.0493-0.0000 ( 22583 PWs) bands (ev): -43.2662 -43.2662 -43.2658 -43.2658 -43.2600 -43.2600 -43.2597 -43.2597 -11.2962 -11.2961 -10.9713 -10.9713 -10.8972 -10.8972 -10.7065 -10.7065 -4.1287 -4.1286 -2.2357 -2.2355 -2.2113 -2.2113 -2.1807 -2.1807 -1.3953 -1.3946 -1.1460 -1.1455 -0.3734 -0.3714 0.1114 0.1127 0.2945 0.2962 0.3111 0.3112 0.5148 0.5150 0.8820 0.8827 4.4789 4.4818 4.7879 4.7888 5.0782 5.0783 6.1142 6.1153 k = 0.0000 0.0369-0.0000 ( 22589 PWs) bands (ev): -43.2662 -43.2662 -43.2658 -43.2658 -43.2600 -43.2600 -43.2597 -43.2597 -11.2986 -11.2986 -10.9719 -10.9719 -10.8944 -10.8944 -10.7060 -10.7060 -4.1265 -4.1265 -2.2361 -2.2360 -2.2117 -2.2117 -2.1807 -2.1807 -1.3884 -1.3879 -1.1558 -1.1554 -0.3801 -0.3786 0.1030 0.1041 0.2951 0.2964 0.3117 0.3117 0.5149 0.5150 0.9029 0.9034 4.4652 4.4674 4.7825 4.7832 5.0826 5.0826 6.1087 6.1096 k = 0.0000 0.0246-0.0000 ( 22591 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.3003 -11.3003 -10.9723 -10.9723 -10.8923 -10.8923 -10.7057 -10.7057 -4.1249 -4.1249 -2.2364 -2.2363 -2.2119 -2.2119 -2.1808 -2.1808 -1.3834 -1.3830 -1.1627 -1.1625 -0.3849 -0.3838 0.0970 0.0977 0.2956 0.2965 0.3121 0.3122 0.5149 0.5150 0.9180 0.9184 4.4552 4.4567 4.7786 4.7791 5.0857 5.0858 6.1048 6.1055 k = 0.0000 0.0123-0.0000 ( 22593 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.3013 -11.3013 -10.9726 -10.9726 -10.8911 -10.8911 -10.7055 -10.7055 -4.1239 -4.1239 -2.2365 -2.2365 -2.2121 -2.2121 -2.1808 -2.1808 -1.3803 -1.3801 -1.1669 -1.1668 -0.3876 -0.3871 0.0934 0.0937 0.2960 0.2964 0.3124 0.3124 0.5150 0.5150 0.9273 0.9274 4.4493 4.4500 4.7763 4.7766 5.0876 5.0876 6.1025 6.1029 k = 0.0000 0.0000 0.0000 ( 22587 PWs) bands (ev): -43.2663 -43.2663 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.3017 -11.3017 -10.9727 -10.9727 -10.8907 -10.8907 -10.7054 -10.7054 -4.1236 -4.1236 -2.2366 -2.2366 -2.2121 -2.2121 -2.1808 -2.1808 -1.3792 -1.3792 -1.1683 -1.1683 -0.3884 -0.3884 0.0923 0.0923 0.2963 0.2963 0.3125 0.3125 0.5150 0.5150 0.9304 0.9304 4.4475 4.4475 4.7756 4.7756 5.0883 5.0883 6.1019 6.1019 k = 0.0000 0.0000 0.0000 ( 22587 PWs) bands (ev): -43.2663 -43.2663 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.3017 -11.3017 -10.9727 -10.9727 -10.8907 -10.8907 -10.7054 -10.7054 -4.1236 -4.1236 -2.2366 -2.2366 -2.2121 -2.2121 -2.1808 -2.1808 -1.3792 -1.3792 -1.1683 -1.1683 -0.3884 -0.3884 0.0923 0.0923 0.2963 0.2963 0.3125 0.3125 0.5150 0.5150 0.9304 0.9304 4.4475 4.4475 4.7756 4.7756 5.0883 5.0883 6.1019 6.1019 k = 0.0000 0.0000 0.0120 ( 22573 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.3013 -11.3013 -10.9732 -10.9732 -10.8905 -10.8905 -10.7057 -10.7057 -4.1214 -4.1214 -2.2399 -2.2399 -2.2123 -2.2123 -2.1810 -2.1810 -1.3772 -1.3772 -1.1676 -1.1676 -0.3914 -0.3914 0.0954 0.0954 0.2937 0.2937 0.3124 0.3124 0.5145 0.5145 0.9297 0.9297 4.4510 4.4510 4.7787 4.7787 5.0878 5.0878 6.1029 6.1029 k = 0.0000 0.0000 0.0239 ( 22583 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.3000 -11.3000 -10.9747 -10.9747 -10.8898 -10.8898 -10.7066 -10.7066 -4.1150 -4.1150 -2.2499 -2.2499 -2.2126 -2.2126 -2.1817 -2.1817 -1.3713 -1.3713 -1.1657 -1.1657 -0.4004 -0.4004 0.1046 0.1046 0.2854 0.2854 0.3125 0.3125 0.5130 0.5130 0.9276 0.9276 4.4613 4.4613 4.7880 4.7880 5.0864 5.0864 6.1062 6.1062 k = 0.0000 0.0000 0.0359 ( 22591 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2979 -11.2979 -10.9771 -10.9771 -10.8886 -10.8886 -10.7080 -10.7080 -4.1042 -4.1042 -2.2667 -2.2667 -2.2130 -2.2130 -2.1826 -2.1826 -1.3615 -1.3615 -1.1625 -1.1625 -0.4145 -0.4145 0.1192 0.1192 0.2711 0.2711 0.3133 0.3133 0.5106 0.5106 0.9241 0.9241 4.4779 4.4779 4.8037 4.8037 5.0841 5.0841 6.1119 6.1119 k = 0.0000 0.0000 0.0479 ( 22582 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2949 -11.2949 -10.9805 -10.9805 -10.8870 -10.8870 -10.7100 -10.7100 -4.0892 -4.0892 -2.2902 -2.2902 -2.2135 -2.2135 -2.1836 -2.1836 -1.3479 -1.3479 -1.1581 -1.1581 -0.4330 -0.4330 0.1383 0.1383 0.2508 0.2508 0.3148 0.3148 0.5075 0.5075 0.9193 0.9193 4.5000 4.5000 4.8262 4.8262 5.0809 5.0809 6.1204 6.1204 k = 0.0000 0.0000 0.0598 ( 22570 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2912 -11.2912 -10.9849 -10.9849 -10.8849 -10.8849 -10.7126 -10.7126 -4.0700 -4.0700 -2.3202 -2.3202 -2.2141 -2.2141 -2.1846 -2.1846 -1.3305 -1.3305 -1.1523 -1.1523 -0.4548 -0.4548 0.1609 0.1609 0.2249 0.2249 0.3168 0.3168 0.5038 0.5038 0.9130 0.9130 4.5263 4.5263 4.8558 4.8558 5.0768 5.0768 6.1320 6.1320 k = 0.0000 0.0000 0.0718 ( 22554 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2866 -11.2866 -10.9901 -10.9901 -10.8823 -10.8823 -10.7157 -10.7157 -4.0467 -4.0467 -2.3562 -2.3562 -2.2147 -2.2147 -2.1858 -2.1858 -1.3094 -1.3094 -1.1453 -1.1453 -0.4793 -0.4793 0.1850 0.1850 0.1948 0.1948 0.3194 0.3194 0.4996 0.4996 0.9054 0.9054 4.5556 4.5556 4.8932 4.8932 5.0718 5.0718 6.1471 6.1471 k = 0.0000 0.0000 0.0838 ( 22580 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2813 -11.2813 -10.9963 -10.9963 -10.8794 -10.8794 -10.7193 -10.7193 -4.0193 -4.0193 -2.3978 -2.3978 -2.2152 -2.2152 -2.1870 -2.1870 -1.2847 -1.2847 -1.1371 -1.1371 -0.5057 -0.5057 0.1565 0.1565 0.2143 0.2143 0.3224 0.3224 0.4950 0.4950 0.8964 0.8964 4.5864 4.5864 4.9386 4.9386 5.0660 5.0660 6.1658 6.1658 k = 0.0000 0.0000 0.0958 ( 22580 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2751 -11.2751 -11.0032 -11.0032 -10.8760 -10.8760 -10.7234 -10.7234 -3.9879 -3.9879 -2.4445 -2.4445 -2.2158 -2.2158 -2.1884 -2.1884 -1.2565 -1.2565 -1.1276 -1.1276 -0.5335 -0.5335 0.1154 0.1154 0.2431 0.2431 0.3258 0.3258 0.4902 0.4902 0.8861 0.8861 4.6175 4.6175 4.9923 4.9923 5.0593 5.0593 6.1886 6.1886 k = 0.0000 0.0000 0.1077 ( 22584 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2596 -43.2596 -11.2683 -11.2683 -11.0110 -11.0110 -10.8722 -10.8722 -10.7279 -10.7279 -3.9527 -3.9527 -2.4958 -2.4958 -2.2162 -2.2162 -2.1898 -2.1898 -1.2249 -1.2249 -1.1169 -1.1169 -0.5621 -0.5621 0.0700 0.0700 0.2730 0.2730 0.3297 0.3297 0.4851 0.4851 0.8744 0.8744 4.6479 4.6479 5.0508 5.0508 5.0552 5.0552 6.2156 6.2156 k = 0.0000 0.0000 0.1197 ( 22582 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2599 -43.2599 -43.2597 -43.2597 -11.2608 -11.2608 -11.0195 -11.0195 -10.8680 -10.8680 -10.7328 -10.7328 -3.9138 -3.9138 -2.5512 -2.5512 -2.2166 -2.2166 -2.1913 -2.1913 -1.1902 -1.1902 -1.1049 -1.1049 -0.5913 -0.5913 0.0208 0.0208 0.3034 0.3034 0.3341 0.3341 0.4798 0.4798 0.8614 0.8614 4.6770 4.6770 5.0436 5.0436 5.1233 5.1233 6.2474 6.2474 k = 0.0000 0.0000 0.1317 ( 22562 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2598 -43.2598 -43.2597 -43.2597 -11.2525 -11.2525 -11.0287 -11.0287 -10.8634 -10.8634 -10.7381 -10.7381 -3.8713 -3.8713 -2.6101 -2.6101 -2.2168 -2.2168 -2.1929 -2.1929 -1.1523 -1.1523 -1.0918 -1.0918 -0.6208 -0.6208 -0.0316 -0.0316 0.3340 0.3340 0.3388 0.3388 0.4746 0.4746 0.8471 0.8471 4.7046 4.7046 5.0347 5.0347 5.1987 5.1987 6.2844 6.2844 k = 0.0000 0.0000 0.1436 ( 22546 PWs) bands (ev): -43.2662 -43.2662 -43.2659 -43.2659 -43.2598 -43.2598 -43.2597 -43.2597 -11.2437 -11.2437 -11.0385 -11.0385 -10.8585 -10.8585 -10.7438 -10.7438 -3.8254 -3.8254 -2.6721 -2.6721 -2.2169 -2.2169 -2.1946 -2.1946 -1.1114 -1.1114 -1.0774 -1.0774 -0.6504 -0.6504 -0.0868 -0.0868 0.3438 0.3438 0.3644 0.3644 0.4695 0.4695 0.8315 0.8315 4.7305 4.7305 5.0250 5.0250 5.2789 5.2789 6.3271 6.3271 k = 0.0000 0.0000 0.1556 ( 22566 PWs) bands (ev): -43.2662 -43.2662 -43.2660 -43.2660 -43.2598 -43.2598 -43.2597 -43.2597 -11.2343 -11.2343 -11.0489 -11.0489 -10.8533 -10.8533 -10.7497 -10.7497 -3.7762 -3.7762 -2.7367 -2.7367 -2.2168 -2.2168 -2.1963 -2.1963 -1.0681 -1.0681 -1.0616 -1.0616 -0.6798 -0.6798 -0.1442 -0.1442 0.3492 0.3492 0.3934 0.3934 0.4655 0.4655 0.8146 0.8146 4.7550 4.7550 5.0147 5.0147 5.3624 5.3624 6.3763 6.3763 k = 0.0000 0.0000 0.1676 ( 22582 PWs) bands (ev): -43.2662 -43.2662 -43.2660 -43.2660 -43.2598 -43.2598 -43.2597 -43.2597 -11.2243 -11.2243 -11.0597 -11.0597 -10.8478 -10.8478 -10.7559 -10.7559 -3.7240 -3.7240 -2.8032 -2.8032 -2.2166 -2.2166 -2.1980 -2.1980 -1.0455 -1.0455 -1.0213 -1.0213 -0.7089 -0.7089 -0.2035 -0.2035 0.3549 0.3549 0.4183 0.4183 0.4654 0.4654 0.7965 0.7965 4.7780 4.7780 5.0037 5.0037 5.4476 5.4476 6.3842 6.3842 k = 0.0000 0.0000 0.1795 ( 22592 PWs) bands (ev): -43.2662 -43.2662 -43.2660 -43.2660 -43.2598 -43.2598 -43.2597 -43.2597 -11.2138 -11.2138 -11.0710 -11.0710 -10.8420 -10.8420 -10.7623 -10.7623 -3.6688 -3.6688 -2.8714 -2.8714 -2.2161 -2.2161 -2.1998 -2.1998 -1.0276 -1.0276 -0.9726 -0.9726 -0.7376 -0.7376 -0.2642 -0.2642 0.3608 0.3608 0.4309 0.4309 0.4769 0.4769 0.7772 0.7772 4.7997 4.7997 4.9921 4.9921 5.5328 5.5328 6.3319 6.3319 k = 0.0000 0.0000 0.1915 ( 22596 PWs) bands (ev): -43.2661 -43.2661 -43.2660 -43.2660 -43.2598 -43.2598 -43.2597 -43.2597 -11.2029 -11.2029 -11.0826 -11.0826 -10.8359 -10.8359 -10.7689 -10.7689 -3.6109 -3.6109 -2.9407 -2.9407 -2.2155 -2.2155 -2.2016 -2.2016 -1.0088 -1.0088 -0.9218 -0.9218 -0.7655 -0.7655 -0.3258 -0.3258 0.3671 0.3671 0.4310 0.4310 0.5005 0.5005 0.7567 0.7567 4.8203 4.8203 4.9798 4.9798 5.6167 5.6167 6.2784 6.2784 k = 0.0000 0.0000 0.2035 ( 22588 PWs) bands (ev): -43.2661 -43.2661 -43.2660 -43.2660 -43.2598 -43.2598 -43.2597 -43.2597 -11.1916 -11.1916 -11.0946 -11.0946 -10.8297 -10.8297 -10.7756 -10.7756 -3.5506 -3.5506 -3.0106 -3.0106 -2.2147 -2.2147 -2.2034 -2.2034 -0.9889 -0.9889 -0.8697 -0.8697 -0.7919 -0.7919 -0.3880 -0.3880 0.3735 0.3735 0.4265 0.4265 0.5279 0.5279 0.7350 0.7350 4.8398 4.8398 4.9669 4.9669 5.6979 5.6979 6.2237 6.2237 k = 0.0000 0.0000 0.2154 ( 22590 PWs) bands (ev): -43.2661 -43.2661 -43.2660 -43.2660 -43.2598 -43.2598 -43.2597 -43.2597 -11.1799 -11.1799 -11.1067 -11.1067 -10.8232 -10.8232 -10.7824 -10.7824 -3.4880 -3.4880 -3.0809 -3.0809 -2.2137 -2.2137 -2.2051 -2.2051 -0.9679 -0.9679 -0.8317 -0.8317 -0.8017 -0.8017 -0.4503 -0.4503 0.3801 0.3801 0.4206 0.4206 0.5560 0.5560 0.7122 0.7122 4.8583 4.8583 4.9534 4.9534 5.7757 5.7757 6.1674 6.1674 k = 0.0000 0.0000 0.2274 ( 22586 PWs) bands (ev): -43.2661 -43.2661 -43.2660 -43.2660 -43.2598 -43.2598 -43.2597 -43.2597 -11.1680 -11.1680 -11.1190 -11.1190 -10.8166 -10.8166 -10.7893 -10.7893 -3.4235 -3.4235 -3.1510 -3.1510 -2.2126 -2.2126 -2.2068 -2.2068 -0.9460 -0.9460 -0.8503 -0.8503 -0.7524 -0.7524 -0.5125 -0.5125 0.3868 0.3868 0.4141 0.4141 0.5839 0.5839 0.6884 0.6884 4.8760 4.8760 4.9393 4.9393 5.8496 5.8496 6.1094 6.1094 k = 0.0000 0.0000 0.2394 ( 22586 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2598 -43.2598 -43.2597 -43.2597 -11.1559 -11.1559 -11.1313 -11.1313 -10.8098 -10.8098 -10.7961 -10.7961 -3.3572 -3.3572 -3.2207 -3.2207 -2.2113 -2.2113 -2.2084 -2.2084 -0.9231 -0.9231 -0.8749 -0.8749 -0.6947 -0.6947 -0.5742 -0.5742 0.3937 0.3937 0.4074 0.4074 0.6112 0.6112 0.6636 0.6636 4.8929 4.8929 4.9245 4.9245 5.9196 5.9196 6.0490 6.0490 k = 0.0000 0.0000 0.2513 ( 22584 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2598 -43.2598 -43.2598 -43.2598 -11.1437 -11.1437 -11.1437 -11.1437 -10.8030 -10.8030 -10.8030 -10.8030 -3.2895 -3.2895 -3.2895 -3.2895 -2.2099 -2.2099 -2.2099 -2.2099 -0.8994 -0.8994 -0.8994 -0.8994 -0.6351 -0.6351 -0.6351 -0.6351 0.4006 0.4006 0.4006 0.4006 0.6378 0.6378 0.6378 0.6378 4.9091 4.9091 4.9091 4.9091 5.9859 5.9859 5.9859 5.9859 k = 0.0000 0.0000 0.2513 ( 22584 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2598 -43.2598 -43.2598 -43.2598 -11.1437 -11.1437 -11.1437 -11.1437 -10.8030 -10.8030 -10.8030 -10.8030 -3.2895 -3.2895 -3.2895 -3.2895 -2.2099 -2.2099 -2.2099 -2.2099 -0.8994 -0.8994 -0.8994 -0.8994 -0.6351 -0.6351 -0.6351 -0.6351 0.4006 0.4006 0.4006 0.4006 0.6378 0.6378 0.6378 0.6378 4.9091 4.9091 4.9091 4.9091 5.9859 5.9859 5.9859 5.9859 k = 0.0125-0.0000 0.2513 ( 22578 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2597 -43.2597 -43.2597 -43.2597 -11.1432 -11.1432 -11.1432 -11.1432 -10.8028 -10.8028 -10.8028 -10.8028 -3.2893 -3.2893 -3.2892 -3.2892 -2.2135 -2.2135 -2.2134 -2.2134 -0.8988 -0.8988 -0.8987 -0.8987 -0.6346 -0.6346 -0.6346 -0.6346 0.3972 0.3972 0.3975 0.3975 0.6373 0.6373 0.6374 0.6374 4.9148 4.9148 4.9148 4.9148 5.9884 5.9884 5.9890 5.9890 k = 0.0250-0.0000 0.2513 ( 22584 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2598 -43.2598 -43.2598 -43.2598 -11.1418 -11.1418 -11.1418 -11.1418 -10.8021 -10.8021 -10.8021 -10.8021 -3.2887 -3.2887 -3.2884 -3.2884 -2.2241 -2.2241 -2.2240 -2.2240 -0.8969 -0.8969 -0.8969 -0.8969 -0.6334 -0.6334 -0.6334 -0.6334 0.3875 0.3875 0.3880 0.3880 0.6360 0.6360 0.6360 0.6360 4.9321 4.9321 4.9321 4.9321 5.9963 5.9963 5.9976 5.9976 k = 0.0375-0.0000 0.2513 ( 22578 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2597 -43.2597 -43.2597 -43.2597 -11.1395 -11.1395 -11.1394 -11.1394 -10.8010 -10.8010 -10.8009 -10.8009 -3.2876 -3.2876 -3.2872 -3.2872 -2.2415 -2.2415 -2.2414 -2.2414 -0.8938 -0.8938 -0.8937 -0.8937 -0.6313 -0.6313 -0.6313 -0.6313 0.3715 0.3715 0.3724 0.3724 0.6337 0.6337 0.6338 0.6338 4.9606 4.9606 4.9606 4.9606 6.0094 6.0094 6.0113 6.0113 k = 0.0500-0.0000 0.2513 ( 22590 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2597 -43.2597 -43.2597 -43.2597 -11.1362 -11.1362 -11.1362 -11.1362 -10.7994 -10.7994 -10.7993 -10.7993 -3.2860 -3.2860 -3.2855 -3.2855 -2.2656 -2.2656 -2.2654 -2.2654 -0.8894 -0.8894 -0.8893 -0.8893 -0.6284 -0.6284 -0.6284 -0.6284 0.3495 0.3495 0.3506 0.3506 0.6306 0.6306 0.6307 0.6307 5.0001 5.0001 5.0002 5.0002 6.0271 6.0271 6.0297 6.0297 k = 0.0625-0.0000 0.2513 ( 22602 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2597 -43.2597 -43.2597 -43.2597 -11.1320 -11.1320 -11.1320 -11.1320 -10.7973 -10.7973 -10.7973 -10.7973 -3.2841 -3.2841 -3.2835 -3.2835 -2.2959 -2.2959 -2.2957 -2.2957 -0.8838 -0.8838 -0.8837 -0.8837 -0.6247 -0.6247 -0.6247 -0.6247 0.3217 0.3217 0.3231 0.3231 0.6266 0.6266 0.6267 0.6267 5.0502 5.0502 5.0502 5.0502 6.0489 6.0489 6.0521 6.0521 k = 0.0750-0.0000 0.2513 ( 22592 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2597 -43.2597 -43.2597 -43.2597 -11.1270 -11.1270 -11.1270 -11.1270 -10.7948 -10.7948 -10.7948 -10.7948 -3.2818 -3.2818 -3.2810 -3.2810 -2.3321 -2.3321 -2.3318 -2.3318 -0.8769 -0.8769 -0.8769 -0.8769 -0.6202 -0.6202 -0.6202 -0.6202 0.2886 0.2886 0.2903 0.2903 0.6217 0.6217 0.6218 0.6218 5.1102 5.1102 5.1103 5.1103 6.0740 6.0740 6.0779 6.0779 k = 0.0875-0.0000 0.2513 ( 22594 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2597 -43.2597 -43.2597 -43.2597 -11.1211 -11.1211 -11.1211 -11.1211 -10.7919 -10.7919 -10.7919 -10.7919 -3.2791 -3.2791 -3.2782 -3.2782 -2.3737 -2.3737 -2.3734 -2.3734 -0.8689 -0.8689 -0.8688 -0.8688 -0.6150 -0.6150 -0.6149 -0.6149 0.2505 0.2505 0.2524 0.2524 0.6160 0.6160 0.6161 0.6161 5.1795 5.1795 5.1796 5.1796 6.1018 6.1018 6.1063 6.1063 k = 0.1000-0.0000 0.2513 ( 22590 PWs) bands (ev): -43.2660 -43.2660 -43.2660 -43.2660 -43.2597 -43.2597 -43.2597 -43.2597 -11.1144 -11.1144 -11.1143 -11.1143 -10.7887 -10.7887 -10.7886 -10.7886 -3.2762 -3.2762 -3.2752 -3.2752 -2.4201 -2.4201 -2.4198 -2.4198 -0.8596 -0.8596 -0.8595 -0.8595 -0.6090 -0.6090 -0.6089 -0.6089 0.2080 0.2080 0.2101 0.2101 0.6094 0.6094 0.6095 0.6095 5.2571 5.2571 5.2573 5.2573 6.1315 6.1315 6.1366 6.1366 k = 0.1125-0.0000 0.2513 ( 22584 PWs) bands (ev): -43.2660 -43.2660 -43.2660 -43.2660 -43.2597 -43.2597 -43.2597 -43.2597 -11.1068 -11.1068 -11.1068 -11.1068 -10.7850 -10.7850 -10.7849 -10.7849 -3.2730 -3.2730 -3.2720 -3.2720 -2.4708 -2.4708 -2.4704 -2.4704 -0.8492 -0.8492 -0.8491 -0.8491 -0.6024 -0.6024 -0.6023 -0.6023 0.1614 0.1614 0.1638 0.1638 0.6020 0.6020 0.6021 0.6021 5.3422 5.3422 5.3423 5.3423 6.1627 6.1627 6.1683 6.1683 k = 0.1250-0.0000 0.2513 ( 22580 PWs) bands (ev): -43.2660 -43.2660 -43.2660 -43.2660 -43.2597 -43.2597 -43.2597 -43.2597 -11.0985 -11.0985 -11.0984 -11.0984 -10.7809 -10.7809 -10.7809 -10.7809 -3.2699 -3.2699 -3.2687 -3.2687 -2.5252 -2.5252 -2.5247 -2.5247 -0.8376 -0.8376 -0.8375 -0.8375 -0.5952 -0.5952 -0.5950 -0.5950 0.1114 0.1114 0.1140 0.1140 0.5937 0.5937 0.5938 0.5938 5.4332 5.4332 5.4333 5.4333 6.1950 6.1950 6.2011 6.2011 k = 0.1375-0.0000 0.2513 ( 22584 PWs) bands (ev): -43.2660 -43.2660 -43.2660 -43.2660 -43.2597 -43.2597 -43.2597 -43.2597 -11.0895 -11.0895 -11.0894 -11.0894 -10.7765 -10.7765 -10.7765 -10.7765 -3.2667 -3.2667 -3.2656 -3.2656 -2.5825 -2.5825 -2.5820 -2.5820 -0.8248 -0.8248 -0.8247 -0.8247 -0.5874 -0.5874 -0.5871 -0.5871 0.0584 0.0584 0.0612 0.0612 0.5845 0.5845 0.5846 0.5846 5.5286 5.5286 5.5288 5.5288 6.2285 6.2285 6.2350 6.2350 k = 0.1500-0.0000 0.2513 ( 22600 PWs) bands (ev): -43.2660 -43.2660 -43.2660 -43.2660 -43.2597 -43.2597 -43.2597 -43.2597 -11.0797 -11.0797 -11.0797 -11.0797 -10.7718 -10.7718 -10.7718 -10.7718 -3.2639 -3.2639 -3.2627 -3.2627 -2.6421 -2.6421 -2.6414 -2.6414 -0.8110 -0.8110 -0.8108 -0.8108 -0.5791 -0.5791 -0.5788 -0.5788 0.0031 0.0031 0.0061 0.0061 0.5745 0.5745 0.5746 0.5746 5.6263 5.6263 5.6265 5.6265 6.2636 6.2636 6.2704 6.2704 k = 0.1625-0.0000 0.2513 ( 22598 PWs) bands (ev): -43.2660 -43.2660 -43.2660 -43.2660 -43.2597 -43.2597 -43.2597 -43.2597 -11.0694 -11.0694 -11.0693 -11.0693 -10.7668 -10.7668 -10.7668 -10.7668 -3.2617 -3.2617 -3.2604 -3.2604 -2.7031 -2.7031 -2.7023 -2.7023 -0.7960 -0.7960 -0.7958 -0.7958 -0.5705 -0.5705 -0.5701 -0.5701 -0.0541 -0.0541 -0.0509 -0.0509 0.5636 0.5636 0.5637 0.5637 5.7236 5.7236 5.7237 5.7237 6.3013 6.3013 6.3084 6.3084 k = 0.1750-0.0000 0.2513 ( 22578 PWs) bands (ev): -43.2660 -43.2660 -43.2660 -43.2660 -43.2597 -43.2597 -43.2597 -43.2597 -11.0584 -11.0584 -11.0584 -11.0584 -10.7616 -10.7616 -10.7615 -10.7615 -3.2605 -3.2605 -3.2592 -3.2592 -2.7646 -2.7646 -2.7637 -2.7637 -0.7801 -0.7801 -0.7798 -0.7798 -0.5616 -0.5616 -0.5611 -0.5611 -0.1125 -0.1125 -0.1091 -0.1091 0.5519 0.5519 0.5520 0.5520 5.8170 5.8170 5.8170 5.8170 6.3431 6.3431 6.3503 6.3503 k = 0.1875-0.0000 0.2513 ( 22580 PWs) bands (ev): -43.2660 -43.2660 -43.2660 -43.2660 -43.2597 -43.2597 -43.2597 -43.2597 -11.0470 -11.0470 -11.0469 -11.0469 -10.7561 -10.7561 -10.7560 -10.7560 -3.2610 -3.2610 -3.2598 -3.2598 -2.8255 -2.8255 -2.8244 -2.8244 -0.7630 -0.7630 -0.7628 -0.7628 -0.5529 -0.5529 -0.5522 -0.5522 -0.1714 -0.1714 -0.1678 -0.1678 0.5393 0.5393 0.5394 0.5394 5.9023 5.9023 5.9026 5.9026 6.3904 6.3904 6.3977 6.3977 k = 0.2000-0.0000 0.2513 ( 22592 PWs) bands (ev): -43.2659 -43.2659 -43.2659 -43.2659 -43.2597 -43.2597 -43.2597 -43.2597 -11.0350 -11.0350 -11.0349 -11.0349 -10.7504 -10.7504 -10.7504 -10.7504 -3.2642 -3.2642 -3.2632 -3.2632 -2.8842 -2.8842 -2.8829 -2.8829 -0.7451 -0.7451 -0.7447 -0.7447 -0.5446 -0.5446 -0.5438 -0.5438 -0.2302 -0.2302 -0.2263 -0.2263 0.5258 0.5258 0.5259 0.5259 5.9758 5.9758 5.9764 5.9764 6.4440 6.4440 6.4512 6.4512 k = 0.2125-0.0000 0.2513 ( 22594 PWs) bands (ev): -43.2659 -43.2659 -43.2659 -43.2659 -43.2596 -43.2596 -43.2596 -43.2596 -11.0227 -11.0227 -11.0226 -11.0226 -10.7446 -10.7446 -10.7445 -10.7445 -3.2718 -3.2718 -3.2709 -3.2709 -2.9389 -2.9389 -2.9373 -2.9373 -0.7262 -0.7262 -0.7257 -0.7257 -0.5377 -0.5377 -0.5365 -0.5365 -0.2875 -0.2875 -0.2834 -0.2834 0.5115 0.5115 0.5116 0.5116 6.0352 6.0352 6.0362 6.0362 6.5020 6.5020 6.5092 6.5092 k = 0.2250-0.0000 0.2513 ( 22596 PWs) bands (ev): -43.2659 -43.2659 -43.2659 -43.2659 -43.2596 -43.2596 -43.2596 -43.2596 -11.0100 -11.0100 -11.0099 -11.0099 -10.7386 -10.7386 -10.7385 -10.7385 -3.2858 -3.2858 -3.2853 -3.2853 -2.9869 -2.9869 -2.9850 -2.9850 -0.7064 -0.7064 -0.7058 -0.7058 -0.5337 -0.5337 -0.5321 -0.5321 -0.3415 -0.3415 -0.3370 -0.3370 0.4964 0.4964 0.4965 0.4965 6.0805 6.0805 6.0818 6.0818 6.5597 6.5597 6.5670 6.5670 k = 0.2375-0.0000 0.2513 ( 22590 PWs) bands (ev): -43.2659 -43.2659 -43.2659 -43.2659 -43.2596 -43.2596 -43.2596 -43.2596 -10.9971 -10.9971 -10.9970 -10.9970 -10.7325 -10.7325 -10.7324 -10.7324 -3.3087 -3.3087 -3.3085 -3.3085 -3.0256 -3.0256 -3.0232 -3.0232 -0.6860 -0.6860 -0.6851 -0.6851 -0.5365 -0.5365 -0.5344 -0.5344 -0.3879 -0.3879 -0.3832 -0.3832 0.4804 0.4804 0.4805 0.4805 6.1135 6.1135 6.1151 6.1151 6.6104 6.6104 6.6177 6.6177 k = 0.2500-0.0000 0.2513 ( 22588 PWs) bands (ev): -43.2659 -43.2659 -43.2659 -43.2659 -43.2596 -43.2596 -43.2596 -43.2596 -10.9840 -10.9840 -10.9839 -10.9839 -10.7264 -10.7264 -10.7263 -10.7263 -3.3416 -3.3416 -3.3416 -3.3416 -3.0533 -3.0533 -3.0506 -3.0506 -0.6652 -0.6652 -0.6637 -0.6637 -0.5527 -0.5527 -0.5504 -0.5504 -0.4192 -0.4192 -0.4147 -0.4147 0.4637 0.4637 0.4638 0.4638 6.1366 6.1366 6.1383 6.1383 6.6485 6.6485 6.6560 6.6560 k = 0.2625-0.0000 0.2513 ( 22578 PWs) bands (ev): -43.2659 -43.2659 -43.2659 -43.2659 -43.2596 -43.2596 -43.2596 -43.2596 -10.9707 -10.9707 -10.9706 -10.9706 -10.7202 -10.7202 -10.7201 -10.7201 -3.3837 -3.3837 -3.3835 -3.3835 -3.0708 -3.0708 -3.0679 -3.0679 -0.6454 -0.6454 -0.6422 -0.6422 -0.5853 -0.5853 -0.5822 -0.5822 -0.4316 -0.4316 -0.4281 -0.4281 0.4461 0.4461 0.4462 0.4462 6.1521 6.1521 6.1538 6.1538 6.6719 6.6719 6.6794 6.6794 k = 0.2750-0.0000 0.2513 ( 22598 PWs) bands (ev): -43.2659 -43.2659 -43.2659 -43.2659 -43.2596 -43.2596 -43.2596 -43.2596 -10.9575 -10.9575 -10.9574 -10.9574 -10.7141 -10.7141 -10.7140 -10.7140 -3.4321 -3.4321 -3.4318 -3.4318 -3.0804 -3.0804 -3.0774 -3.0774 -0.6442 -0.6442 -0.6366 -0.6366 -0.6124 -0.6124 -0.6058 -0.6058 -0.4315 -0.4315 -0.4288 -0.4288 0.4277 0.4277 0.4278 0.4278 6.1615 6.1615 6.1631 6.1631 6.6816 6.6816 6.6893 6.6893 k = 0.2875-0.0000 0.2513 ( 22598 PWs) bands (ev): -43.2659 -43.2659 -43.2659 -43.2659 -43.2596 -43.2596 -43.2596 -43.2596 -10.9443 -10.9443 -10.9442 -10.9442 -10.7080 -10.7080 -10.7079 -10.7079 -3.4842 -3.4842 -3.4839 -3.4839 -3.0846 -3.0846 -3.0815 -3.0815 -0.6858 -0.6858 -0.6818 -0.6818 -0.5925 -0.5925 -0.5900 -0.5900 -0.4256 -0.4256 -0.4235 -0.4235 0.4087 0.4087 0.4088 0.4088 6.1662 6.1662 6.1676 6.1676 6.6808 6.6808 6.6885 6.6885 k = 0.3000-0.0000 0.2513 ( 22602 PWs) bands (ev): -43.2658 -43.2658 -43.2658 -43.2658 -43.2596 -43.2596 -43.2596 -43.2596 -10.9312 -10.9312 -10.9311 -10.9311 -10.7020 -10.7020 -10.7019 -10.7019 -3.5378 -3.5378 -3.5375 -3.5375 -3.0851 -3.0851 -3.0821 -3.0821 -0.7347 -0.7347 -0.7314 -0.7314 -0.5686 -0.5686 -0.5670 -0.5670 -0.4171 -0.4171 -0.4153 -0.4153 0.3889 0.3889 0.3890 0.3890 6.1669 6.1669 6.1682 6.1682 6.6723 6.6723 6.6801 6.6801 k = 0.3125-0.0000 0.2513 ( 22594 PWs) bands (ev): -43.2658 -43.2658 -43.2658 -43.2658 -43.2596 -43.2596 -43.2596 -43.2596 -10.9183 -10.9183 -10.9182 -10.9182 -10.6961 -10.6961 -10.6961 -10.6961 -3.5914 -3.5914 -3.5911 -3.5911 -3.0834 -3.0834 -3.0805 -3.0805 -0.7837 -0.7837 -0.7806 -0.7806 -0.5440 -0.5440 -0.5427 -0.5427 -0.4075 -0.4075 -0.4059 -0.4059 0.3685 0.3685 0.3685 0.3685 6.1646 6.1646 6.1655 6.1655 6.6587 6.6587 6.6665 6.6665 k = 0.3250-0.0000 0.2513 ( 22602 PWs) bands (ev): -43.2658 -43.2658 -43.2658 -43.2658 -43.2596 -43.2596 -43.2596 -43.2596 -10.9058 -10.9058 -10.9057 -10.9057 -10.6904 -10.6904 -10.6904 -10.6904 -3.6440 -3.6440 -3.6437 -3.6437 -3.0803 -3.0803 -3.0774 -3.0774 -0.8314 -0.8314 -0.8283 -0.8283 -0.5188 -0.5188 -0.5177 -0.5177 -0.3973 -0.3973 -0.3959 -0.3959 0.3474 0.3474 0.3475 0.3475 6.1597 6.1597 6.1603 6.1603 6.6419 6.6419 6.6496 6.6496 k = 0.3375-0.0000 0.2513 ( 22602 PWs) bands (ev): -43.2658 -43.2658 -43.2658 -43.2658 -43.2595 -43.2595 -43.2595 -43.2595 -10.8937 -10.8937 -10.8936 -10.8936 -10.6849 -10.6849 -10.6849 -10.6849 -3.6949 -3.6949 -3.6946 -3.6946 -3.0762 -3.0762 -3.0734 -3.0734 -0.8770 -0.8770 -0.8741 -0.8741 -0.4933 -0.4933 -0.4923 -0.4923 -0.3871 -0.3871 -0.3857 -0.3857 0.3259 0.3259 0.3259 0.3259 6.1527 6.1527 6.1531 6.1531 6.6231 6.6231 6.6307 6.6307 k = 0.3500-0.0000 0.2513 ( 22594 PWs) bands (ev): -43.2658 -43.2658 -43.2658 -43.2658 -43.2595 -43.2595 -43.2595 -43.2595 -10.8820 -10.8820 -10.8819 -10.8819 -10.6797 -10.6797 -10.6797 -10.6797 -3.7434 -3.7434 -3.7432 -3.7432 -3.0717 -3.0717 -3.0690 -3.0690 -0.9203 -0.9203 -0.9175 -0.9175 -0.4676 -0.4676 -0.4667 -0.4667 -0.3769 -0.3769 -0.3756 -0.3756 0.3038 0.3038 0.3039 0.3039 6.1442 6.1442 6.1444 6.1444 6.6034 6.6034 6.6108 6.6108 k = 0.3625-0.0000 0.2513 ( 22606 PWs) bands (ev): -43.2658 -43.2658 -43.2658 -43.2658 -43.2595 -43.2595 -43.2595 -43.2595 -10.8709 -10.8709 -10.8708 -10.8708 -10.6747 -10.6747 -10.6747 -10.6747 -3.7893 -3.7893 -3.7891 -3.7891 -3.0668 -3.0668 -3.0642 -3.0642 -0.9609 -0.9609 -0.9582 -0.9582 -0.4419 -0.4419 -0.4410 -0.4410 -0.3668 -0.3668 -0.3656 -0.3656 0.2815 0.2815 0.2815 0.2815 6.1346 6.1346 6.1347 6.1347 6.5833 6.5833 6.5904 6.5904 k = 0.3750-0.0000 0.2513 ( 22602 PWs) bands (ev): -43.2658 -43.2658 -43.2658 -43.2658 -43.2595 -43.2595 -43.2595 -43.2595 -10.8605 -10.8605 -10.8604 -10.8604 -10.6700 -10.6700 -10.6700 -10.6700 -3.8321 -3.8321 -3.8319 -3.8319 -3.0619 -3.0619 -3.0595 -3.0595 -0.9985 -0.9985 -0.9960 -0.9960 -0.4166 -0.4166 -0.4155 -0.4155 -0.3571 -0.3571 -0.3557 -0.3557 0.2589 0.2589 0.2589 0.2589 6.1242 6.1242 6.1245 6.1245 6.5634 6.5634 6.5702 6.5702 k = 0.3875-0.0000 0.2513 ( 22604 PWs) bands (ev): -43.2658 -43.2658 -43.2658 -43.2658 -43.2595 -43.2595 -43.2595 -43.2595 -10.8507 -10.8507 -10.8506 -10.8506 -10.6657 -10.6657 -10.6657 -10.6657 -3.8716 -3.8716 -3.8714 -3.8714 -3.0571 -3.0571 -3.0548 -3.0548 -1.0331 -1.0331 -1.0307 -1.0307 -0.3920 -0.3920 -0.3907 -0.3907 -0.3473 -0.3473 -0.3458 -0.3458 0.2362 0.2362 0.2362 0.2362 6.1136 6.1136 6.1140 6.1140 6.5443 6.5443 6.5506 6.5506 k = 0.4000-0.0000 0.2513 ( 22596 PWs) bands (ev): -43.2658 -43.2658 -43.2658 -43.2658 -43.2595 -43.2595 -43.2595 -43.2595 -10.8418 -10.8418 -10.8417 -10.8417 -10.6618 -10.6618 -10.6618 -10.6618 -3.9075 -3.9075 -3.9073 -3.9073 -3.0525 -3.0525 -3.0504 -3.0504 -1.0643 -1.0643 -1.0622 -1.0622 -0.3691 -0.3691 -0.3676 -0.3676 -0.3370 -0.3370 -0.3352 -0.3352 0.2136 0.2136 0.2137 0.2137 6.1032 6.1032 6.1037 6.1037 6.5261 6.5261 6.5320 6.5320 k = 0.4125-0.0000 0.2513 ( 22592 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8338 -10.8338 -10.8337 -10.8337 -10.6582 -10.6582 -10.6582 -10.6582 -3.9396 -3.9396 -3.9395 -3.9395 -3.0482 -3.0482 -3.0463 -3.0463 -1.0922 -1.0922 -1.0903 -1.0903 -0.3502 -0.3502 -0.3485 -0.3485 -0.3240 -0.3240 -0.3222 -0.3222 0.1914 0.1914 0.1915 0.1915 6.0932 6.0932 6.0938 6.0938 6.5094 6.5094 6.5147 6.5147 k = 0.4250-0.0000 0.2513 ( 22618 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8266 -10.8266 -10.8266 -10.8266 -10.6551 -10.6551 -10.6551 -10.6551 -3.9677 -3.9677 -3.9677 -3.9677 -3.0442 -3.0442 -3.0426 -3.0426 -1.1166 -1.1166 -1.1149 -1.1149 -0.3372 -0.3372 -0.3361 -0.3361 -0.3063 -0.3063 -0.3050 -0.3050 0.1699 0.1699 0.1700 0.1700 6.0841 6.0841 6.0846 6.0846 6.4943 6.4943 6.4989 6.4989 k = 0.4375-0.0000 0.2513 ( 22624 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8205 -10.8205 -10.8204 -10.8204 -10.6524 -10.6524 -10.6524 -10.6524 -3.9918 -3.9918 -3.9917 -3.9917 -3.0408 -3.0408 -3.0394 -3.0394 -1.1374 -1.1374 -1.1359 -1.1359 -0.3288 -0.3288 -0.3281 -0.3281 -0.2865 -0.2865 -0.2856 -0.2856 0.1497 0.1497 0.1497 0.1497 6.0759 6.0759 6.0764 6.0764 6.4811 6.4811 6.4850 6.4850 k = 0.4500-0.0000 0.2513 ( 22618 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8154 -10.8154 -10.8154 -10.8154 -10.6502 -10.6502 -10.6502 -10.6502 -4.0117 -4.0117 -4.0116 -4.0116 -3.0379 -3.0379 -3.0368 -3.0368 -1.1544 -1.1544 -1.1532 -1.1532 -0.3228 -0.3228 -0.3224 -0.3224 -0.2674 -0.2674 -0.2669 -0.2669 0.1312 0.1312 0.1312 0.1312 6.0690 6.0690 6.0695 6.0695 6.4701 6.4701 6.4733 6.4733 k = 0.4625-0.0000 0.2513 ( 22636 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8114 -10.8114 -10.8114 -10.8114 -10.6485 -10.6485 -10.6485 -10.6485 -4.0272 -4.0272 -4.0271 -4.0271 -3.0355 -3.0355 -3.0347 -3.0347 -1.1677 -1.1677 -1.1668 -1.1668 -0.3185 -0.3185 -0.3183 -0.3183 -0.2508 -0.2508 -0.2504 -0.2504 0.1152 0.1152 0.1152 0.1152 6.0635 6.0635 6.0639 6.0639 6.4614 6.4614 6.4638 6.4638 k = 0.4750-0.0000 0.2513 ( 22616 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8085 -10.8085 -10.8085 -10.8085 -10.6472 -10.6472 -10.6472 -10.6472 -4.0383 -4.0383 -4.0383 -4.0383 -3.0338 -3.0338 -3.0332 -3.0332 -1.1772 -1.1772 -1.1766 -1.1766 -0.3155 -0.3155 -0.3154 -0.3154 -0.2376 -0.2376 -0.2374 -0.2374 0.1027 0.1027 0.1028 0.1028 6.0595 6.0595 6.0597 6.0597 6.4552 6.4552 6.4568 6.4568 k = 0.4875-0.0000 0.2513 ( 22636 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8068 -10.8068 -10.8068 -10.8068 -10.6464 -10.6464 -10.6464 -10.6464 -4.0450 -4.0450 -4.0450 -4.0450 -3.0327 -3.0327 -3.0324 -3.0324 -1.1829 -1.1829 -1.1826 -1.1826 -0.3137 -0.3137 -0.3137 -0.3137 -0.2292 -0.2292 -0.2291 -0.2291 0.0947 0.0947 0.0947 0.0947 6.0571 6.0571 6.0572 6.0572 6.4516 6.4516 6.4524 6.4524 k = 0.5000-0.0000 0.2513 ( 22620 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8062 -10.8062 -10.8062 -10.8062 -10.6462 -10.6462 -10.6462 -10.6462 -4.0473 -4.0473 -4.0473 -4.0473 -3.0322 -3.0322 -3.0322 -3.0322 -1.1847 -1.1847 -1.1847 -1.1847 -0.3131 -0.3131 -0.3131 -0.3131 -0.2262 -0.2262 -0.2262 -0.2262 0.0919 0.0919 0.0919 0.0919 6.0563 6.0563 6.0563 6.0563 6.4506 6.4506 6.4506 6.4506 k = 0.5000-0.0000 0.2513 ( 22620 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8062 -10.8062 -10.8062 -10.8062 -10.6462 -10.6462 -10.6462 -10.6462 -4.0473 -4.0473 -4.0473 -4.0473 -3.0322 -3.0322 -3.0322 -3.0322 -1.1847 -1.1847 -1.1847 -1.1847 -0.3131 -0.3131 -0.3131 -0.3131 -0.2262 -0.2262 -0.2262 -0.2262 0.0919 0.0919 0.0919 0.0919 6.0563 6.0563 6.0563 6.0563 6.4506 6.4506 6.4506 6.4506 k = 0.5000 0.0123 0.2513 ( 22628 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8061 -10.8061 -10.8061 -10.8061 -10.6463 -10.6463 -10.6463 -10.6463 -4.0473 -4.0473 -4.0473 -4.0473 -3.0324 -3.0324 -3.0324 -3.0324 -1.1855 -1.1855 -1.1852 -1.1852 -0.3140 -0.3140 -0.3127 -0.3127 -0.2262 -0.2262 -0.2249 -0.2249 0.0921 0.0921 0.0929 0.0929 6.0580 6.0580 6.0582 6.0582 6.4518 6.4518 6.4520 6.4520 k = 0.5000 0.0246 0.2513 ( 22632 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8058 -10.8058 -10.8058 -10.8058 -10.6465 -10.6465 -10.6465 -10.6465 -4.0474 -4.0474 -4.0474 -4.0474 -3.0330 -3.0330 -3.0330 -3.0330 -1.1876 -1.1876 -1.1871 -1.1871 -0.3152 -0.3152 -0.3127 -0.3127 -0.2249 -0.2249 -0.2224 -0.2224 0.0933 0.0933 0.0950 0.0950 6.0633 6.0633 6.0636 6.0636 6.4555 6.4555 6.4560 6.4560 k = 0.5000 0.0369 0.2513 ( 22636 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8053 -10.8053 -10.8053 -10.8053 -10.6470 -10.6470 -10.6470 -10.6470 -4.0476 -4.0476 -4.0475 -4.0475 -3.0341 -3.0341 -3.0340 -3.0340 -1.1910 -1.1910 -1.1903 -1.1903 -0.3168 -0.3168 -0.3132 -0.3132 -0.2224 -0.2224 -0.2188 -0.2188 0.0956 0.0956 0.0980 0.0980 6.0723 6.0723 6.0727 6.0727 6.4618 6.4618 6.4625 6.4625 k = 0.5000 0.0493 0.2513 ( 22632 PWs) bands (ev): -43.2656 -43.2656 -43.2656 -43.2656 -43.2596 -43.2596 -43.2596 -43.2596 -10.8046 -10.8046 -10.8046 -10.8046 -10.6475 -10.6475 -10.6475 -10.6475 -4.0478 -4.0478 -4.0478 -4.0478 -3.0355 -3.0355 -3.0354 -3.0354 -1.1956 -1.1956 -1.1947 -1.1947 -0.3185 -0.3185 -0.3141 -0.3141 -0.2186 -0.2186 -0.2141 -0.2141 0.0989 0.0989 0.1020 0.1020 6.0848 6.0848 6.0854 6.0854 6.4708 6.4708 6.4717 6.4717 k = 0.5000 0.0616 0.2513 ( 22656 PWs) bands (ev): -43.2656 -43.2656 -43.2656 -43.2656 -43.2596 -43.2596 -43.2596 -43.2596 -10.8037 -10.8037 -10.8037 -10.8037 -10.6483 -10.6483 -10.6483 -10.6483 -4.0481 -4.0481 -4.0480 -4.0480 -3.0373 -3.0373 -3.0372 -3.0372 -1.2013 -1.2013 -1.2002 -1.2002 -0.3205 -0.3205 -0.3155 -0.3155 -0.2136 -0.2136 -0.2085 -0.2085 0.1030 0.1030 0.1069 0.1069 6.1009 6.1009 6.1016 6.1016 6.4824 6.4824 6.4836 6.4836 k = 0.5000 0.0739 0.2513 ( 22668 PWs) bands (ev): -43.2655 -43.2655 -43.2655 -43.2655 -43.2597 -43.2597 -43.2597 -43.2597 -10.8027 -10.8027 -10.8027 -10.8027 -10.6492 -10.6492 -10.6492 -10.6492 -4.0485 -4.0485 -4.0484 -4.0484 -3.0394 -3.0394 -3.0393 -3.0393 -1.2080 -1.2080 -1.2068 -1.2068 -0.3226 -0.3226 -0.3171 -0.3171 -0.2076 -0.2076 -0.2020 -0.2020 0.1080 0.1080 0.1124 0.1124 6.1207 6.1207 6.1215 6.1215 6.4968 6.4968 6.4982 6.4982 k = 0.5000 0.0862 0.2513 ( 22664 PWs) bands (ev): -43.2655 -43.2655 -43.2655 -43.2655 -43.2598 -43.2598 -43.2598 -43.2598 -10.8015 -10.8015 -10.8014 -10.8014 -10.6503 -10.6503 -10.6502 -10.6502 -4.0488 -4.0488 -4.0487 -4.0487 -3.0418 -3.0418 -3.0417 -3.0417 -1.2156 -1.2156 -1.2143 -1.2143 -0.3247 -0.3247 -0.3190 -0.3190 -0.2007 -0.2007 -0.1947 -0.1947 0.1136 0.1136 0.1185 0.1185 6.1441 6.1441 6.1450 6.1450 6.5141 6.5141 6.5157 6.5157 k = 0.5000 0.0985 0.2513 ( 22656 PWs) bands (ev): -43.2654 -43.2654 -43.2654 -43.2654 -43.2598 -43.2598 -43.2598 -43.2598 -10.8001 -10.8001 -10.8000 -10.8000 -10.6515 -10.6515 -10.6514 -10.6514 -4.0493 -4.0493 -4.0492 -4.0492 -3.0445 -3.0445 -3.0444 -3.0444 -1.2239 -1.2239 -1.2225 -1.2225 -0.3268 -0.3268 -0.3210 -0.3210 -0.1930 -0.1930 -0.1867 -0.1867 0.1197 0.1197 0.1251 0.1251 6.1711 6.1711 6.1721 6.1721 6.5342 6.5342 6.5360 6.5360 k = 0.5000 0.1108 0.2513 ( 22664 PWs) bands (ev): -43.2653 -43.2653 -43.2653 -43.2653 -43.2599 -43.2599 -43.2599 -43.2599 -10.7985 -10.7985 -10.7985 -10.7985 -10.6528 -10.6528 -10.6528 -10.6528 -4.0498 -4.0498 -4.0497 -4.0497 -3.0474 -3.0474 -3.0473 -3.0473 -1.2328 -1.2328 -1.2314 -1.2314 -0.3289 -0.3289 -0.3232 -0.3232 -0.1847 -0.1847 -0.1783 -0.1783 0.1262 0.1262 0.1319 0.1319 6.2017 6.2017 6.2027 6.2027 6.5573 6.5573 6.5593 6.5593 k = 0.5000 0.1232 0.2513 ( 22648 PWs) bands (ev): -43.2652 -43.2652 -43.2652 -43.2652 -43.2600 -43.2600 -43.2600 -43.2600 -10.7969 -10.7969 -10.7968 -10.7968 -10.6542 -10.6542 -10.6542 -10.6542 -4.0503 -4.0503 -4.0502 -4.0502 -3.0505 -3.0505 -3.0503 -3.0503 -1.2422 -1.2422 -1.2407 -1.2407 -0.3309 -0.3309 -0.3253 -0.3253 -0.1759 -0.1759 -0.1694 -0.1694 0.1329 0.1329 0.1389 0.1389 6.2359 6.2359 6.2369 6.2369 6.5834 6.5834 6.5856 6.5856 k = 0.5000 0.1355 0.2513 ( 22644 PWs) bands (ev): -43.2651 -43.2651 -43.2651 -43.2651 -43.2601 -43.2601 -43.2601 -43.2601 -10.7951 -10.7951 -10.7950 -10.7950 -10.6558 -10.6558 -10.6557 -10.6557 -4.0508 -4.0508 -4.0507 -4.0507 -3.0536 -3.0536 -3.0535 -3.0535 -1.2518 -1.2518 -1.2503 -1.2503 -0.3329 -0.3329 -0.3275 -0.3275 -0.1668 -0.1668 -0.1603 -0.1603 0.1398 0.1398 0.1459 0.1459 6.2735 6.2735 6.2746 6.2746 6.6126 6.6126 6.6150 6.6150 k = 0.5000 0.1478 0.2513 ( 22640 PWs) bands (ev): -43.2649 -43.2649 -43.2649 -43.2649 -43.2603 -43.2603 -43.2603 -43.2603 -10.7932 -10.7932 -10.7932 -10.7932 -10.6574 -10.6574 -10.6574 -10.6574 -4.0514 -4.0514 -4.0513 -4.0513 -3.0569 -3.0569 -3.0567 -3.0567 -1.2616 -1.2616 -1.2601 -1.2601 -0.3347 -0.3347 -0.3296 -0.3296 -0.1574 -0.1574 -0.1509 -0.1509 0.1466 0.1466 0.1529 0.1529 6.3146 6.3146 6.3157 6.3157 6.6448 6.6448 6.6474 6.6474 k = 0.5000 0.1601 0.2513 ( 22632 PWs) bands (ev): -43.2648 -43.2648 -43.2648 -43.2648 -43.2604 -43.2604 -43.2604 -43.2604 -10.7912 -10.7912 -10.7912 -10.7912 -10.6591 -10.6591 -10.6591 -10.6591 -4.0520 -4.0520 -4.0519 -4.0519 -3.0601 -3.0601 -3.0600 -3.0600 -1.2714 -1.2714 -1.2699 -1.2699 -0.3365 -0.3365 -0.3316 -0.3316 -0.1479 -0.1479 -0.1416 -0.1416 0.1533 0.1533 0.1596 0.1596 6.3590 6.3590 6.3600 6.3600 6.6801 6.6801 6.6829 6.6829 k = 0.5000 0.1724 0.2513 ( 22632 PWs) bands (ev): -43.2647 -43.2647 -43.2647 -43.2647 -43.2605 -43.2605 -43.2605 -43.2605 -10.7892 -10.7892 -10.7892 -10.7892 -10.6609 -10.6609 -10.6609 -10.6609 -4.0526 -4.0526 -4.0524 -4.0524 -3.0634 -3.0634 -3.0632 -3.0632 -1.2811 -1.2811 -1.2796 -1.2796 -0.3381 -0.3381 -0.3335 -0.3335 -0.1385 -0.1385 -0.1323 -0.1323 0.1599 0.1599 0.1661 0.1661 6.4064 6.4064 6.4073 6.4073 6.7183 6.7183 6.7213 6.7213 k = 0.5000 0.1847 0.2513 ( 22636 PWs) bands (ev): -43.2645 -43.2645 -43.2645 -43.2645 -43.2607 -43.2607 -43.2607 -43.2607 -10.7872 -10.7872 -10.7871 -10.7871 -10.6627 -10.6627 -10.6627 -10.6627 -4.0532 -4.0532 -4.0530 -4.0530 -3.0666 -3.0666 -3.0664 -3.0664 -1.2904 -1.2904 -1.2891 -1.2891 -0.3395 -0.3395 -0.3353 -0.3353 -0.1292 -0.1292 -0.1233 -0.1233 0.1661 0.1661 0.1721 0.1721 6.4567 6.4567 6.4574 6.4574 6.7594 6.7594 6.7625 6.7625 k = 0.5000 0.1970 0.2513 ( 22620 PWs) bands (ev): -43.2644 -43.2644 -43.2644 -43.2644 -43.2608 -43.2608 -43.2608 -43.2608 -10.7851 -10.7851 -10.7851 -10.7851 -10.6645 -10.6645 -10.6645 -10.6645 -4.0537 -4.0537 -4.0536 -4.0536 -3.0696 -3.0696 -3.0695 -3.0695 -1.2994 -1.2994 -1.2981 -1.2981 -0.3408 -0.3408 -0.3369 -0.3369 -0.1202 -0.1202 -0.1146 -0.1146 0.1720 0.1720 0.1778 0.1778 6.5094 6.5094 6.5100 6.5100 6.8030 6.8030 6.8064 6.8064 k = 0.5000 0.2094 0.2513 ( 22612 PWs) bands (ev): -43.2642 -43.2642 -43.2642 -43.2642 -43.2610 -43.2610 -43.2610 -43.2610 -10.7831 -10.7831 -10.7831 -10.7831 -10.6663 -10.6663 -10.6662 -10.6662 -4.0543 -4.0543 -4.0542 -4.0542 -3.0725 -3.0725 -3.0724 -3.0724 -1.3078 -1.3078 -1.3067 -1.3067 -0.3419 -0.3419 -0.3384 -0.3384 -0.1116 -0.1116 -0.1064 -0.1064 0.1774 0.1774 0.1829 0.1829 6.5640 6.5640 6.5644 6.5644 6.8490 6.8490 6.8525 6.8525 k = 0.5000 0.2217 0.2513 ( 22616 PWs) bands (ev): -43.2640 -43.2640 -43.2640 -43.2640 -43.2611 -43.2611 -43.2611 -43.2611 -10.7812 -10.7812 -10.7811 -10.7811 -10.6680 -10.6680 -10.6680 -10.6680 -4.0548 -4.0548 -4.0547 -4.0547 -3.0752 -3.0752 -3.0751 -3.0751 -1.3157 -1.3157 -1.3146 -1.3146 -0.3429 -0.3429 -0.3398 -0.3398 -0.1036 -0.1036 -0.0987 -0.0987 0.1824 0.1824 0.1875 0.1875 6.6195 6.6195 6.6201 6.6201 6.8969 6.8969 6.9005 6.9005 k = 0.5000 0.2340 0.2513 ( 22636 PWs) bands (ev): -43.2639 -43.2639 -43.2639 -43.2639 -43.2613 -43.2613 -43.2613 -43.2613 -10.7793 -10.7793 -10.7793 -10.7793 -10.6696 -10.6696 -10.6696 -10.6696 -4.0553 -4.0553 -4.0552 -4.0552 -3.0777 -3.0777 -3.0775 -3.0775 -1.3228 -1.3228 -1.3218 -1.3218 -0.3437 -0.3437 -0.3410 -0.3410 -0.0961 -0.0961 -0.0917 -0.0917 0.1869 0.1869 0.1916 0.1916 6.6750 6.6750 6.6760 6.6760 6.9463 6.9463 6.9501 6.9501 k = 0.5000 0.2463 0.2513 ( 22636 PWs) bands (ev): -43.2637 -43.2637 -43.2637 -43.2637 -43.2615 -43.2615 -43.2615 -43.2615 -10.7776 -10.7776 -10.7776 -10.7776 -10.6712 -10.6712 -10.6711 -10.6711 -4.0557 -4.0557 -4.0556 -4.0556 -3.0798 -3.0798 -3.0797 -3.0797 -1.3291 -1.3291 -1.3283 -1.3283 -0.3444 -0.3444 -0.3421 -0.3421 -0.0894 -0.0894 -0.0855 -0.0855 0.1909 0.1909 0.1950 0.1950 6.7289 6.7289 6.7305 6.7305 6.9966 6.9966 7.0006 7.0006 k = 0.5000 0.2586 0.2513 ( 22620 PWs) bands (ev): -43.2635 -43.2635 -43.2635 -43.2635 -43.2617 -43.2617 -43.2617 -43.2617 -10.7761 -10.7761 -10.7761 -10.7761 -10.6725 -10.6725 -10.6725 -10.6725 -4.0561 -4.0561 -4.0560 -4.0560 -3.0817 -3.0817 -3.0817 -3.0817 -1.3346 -1.3346 -1.3339 -1.3339 -0.3450 -0.3450 -0.3430 -0.3430 -0.0835 -0.0835 -0.0802 -0.0802 0.1944 0.1944 0.1979 0.1979 6.7795 6.7795 6.7816 6.7816 7.0475 7.0475 7.0517 7.0517 k = 0.5000 0.2709 0.2513 ( 22608 PWs) bands (ev): -43.2633 -43.2633 -43.2633 -43.2633 -43.2618 -43.2618 -43.2618 -43.2618 -10.7748 -10.7748 -10.7748 -10.7748 -10.6737 -10.6737 -10.6737 -10.6737 -4.0564 -4.0564 -4.0563 -4.0563 -3.0833 -3.0833 -3.0833 -3.0833 -1.3391 -1.3391 -1.3386 -1.3386 -0.3454 -0.3454 -0.3438 -0.3438 -0.0785 -0.0785 -0.0758 -0.0758 0.1973 0.1973 0.2001 0.2001 6.8243 6.8243 6.8268 6.8268 7.0987 7.0987 7.1030 7.1030 k = 0.5000 0.2833 0.2513 ( 22600 PWs) bands (ev): -43.2632 -43.2632 -43.2632 -43.2632 -43.2620 -43.2620 -43.2620 -43.2620 -10.7737 -10.7737 -10.7737 -10.7737 -10.6747 -10.6747 -10.6747 -10.6747 -4.0566 -4.0566 -4.0566 -4.0566 -3.0846 -3.0846 -3.0845 -3.0845 -1.3427 -1.3427 -1.3423 -1.3423 -0.3456 -0.3456 -0.3444 -0.3444 -0.0745 -0.0745 -0.0724 -0.0724 0.1996 0.1996 0.2018 0.2018 6.8612 6.8612 6.8637 6.8637 7.1499 7.1499 7.1540 7.1540 k = 0.5000 0.2956 0.2513 ( 22608 PWs) bands (ev): -43.2630 -43.2630 -43.2630 -43.2630 -43.2622 -43.2622 -43.2622 -43.2622 -10.7729 -10.7729 -10.7729 -10.7729 -10.6754 -10.6754 -10.6754 -10.6754 -4.0568 -4.0568 -4.0568 -4.0568 -3.0855 -3.0855 -3.0855 -3.0855 -1.3453 -1.3453 -1.3450 -1.3450 -0.3457 -0.3457 -0.3450 -0.3450 -0.0714 -0.0714 -0.0700 -0.0700 0.2014 0.2014 0.2029 0.2029 6.8884 6.8884 6.8904 6.8904 7.1996 7.1996 7.2031 7.2031 k = 0.5000 0.3079 0.2513 ( 22604 PWs) bands (ev): -43.2628 -43.2628 -43.2628 -43.2628 -43.2624 -43.2624 -43.2624 -43.2624 -10.7724 -10.7724 -10.7724 -10.7724 -10.6758 -10.6758 -10.6758 -10.6758 -4.0569 -4.0569 -4.0569 -4.0569 -3.0860 -3.0860 -3.0860 -3.0860 -1.3468 -1.3468 -1.3466 -1.3466 -0.3457 -0.3457 -0.3454 -0.3454 -0.0694 -0.0694 -0.0687 -0.0687 0.2026 0.2026 0.2034 0.2034 6.9051 6.9051 6.9062 6.9062 7.2438 7.2438 7.2463 7.2463 k = 0.5000 0.3202 0.2513 ( 22608 PWs) bands (ev): -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -10.7723 -10.7723 -10.7723 -10.7723 -10.6760 -10.6760 -10.6760 -10.6760 -4.0570 -4.0570 -4.0570 -4.0570 -3.0862 -3.0862 -3.0862 -3.0862 -1.3472 -1.3472 -1.3472 -1.3472 -0.3456 -0.3456 -0.3456 -0.3456 -0.0685 -0.0685 -0.0685 -0.0685 0.2033 0.2033 0.2033 0.2033 6.9110 6.9110 6.9110 6.9110 7.2688 7.2688 7.2688 7.2688 k = 0.5000 0.3202 0.2513 ( 22608 PWs) bands (ev): -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -10.7723 -10.7723 -10.7723 -10.7723 -10.6760 -10.6760 -10.6760 -10.6760 -4.0570 -4.0570 -4.0570 -4.0570 -3.0862 -3.0862 -3.0862 -3.0862 -1.3472 -1.3472 -1.3472 -1.3472 -0.3456 -0.3456 -0.3456 -0.3456 -0.0685 -0.0685 -0.0685 -0.0685 0.2033 0.2033 0.2033 0.2033 6.9110 6.9110 6.9110 6.9110 7.2688 7.2688 7.2688 7.2689 k = 0.4875 0.3202 0.2513 ( 22620 PWs) bands (ev): -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -10.7725 -10.7725 -10.7725 -10.7725 -10.6766 -10.6766 -10.6766 -10.6766 -4.0546 -4.0546 -4.0546 -4.0546 -3.0868 -3.0868 -3.0865 -3.0865 -1.3455 -1.3455 -1.3453 -1.3453 -0.3479 -0.3479 -0.3477 -0.3477 -0.0668 -0.0668 -0.0666 -0.0666 0.2030 0.2030 0.2031 0.2031 6.9121 6.9121 6.9123 6.9123 7.2690 7.2690 7.2691 7.2691 k = 0.4750 0.3202 0.2513 ( 22628 PWs) bands (ev): -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -10.7733 -10.7733 -10.7732 -10.7732 -10.6784 -10.6784 -10.6784 -10.6784 -4.0476 -4.0476 -4.0476 -4.0476 -3.0883 -3.0883 -3.0878 -3.0878 -1.3400 -1.3400 -1.3396 -1.3396 -0.3543 -0.3543 -0.3540 -0.3540 -0.0617 -0.0617 -0.0614 -0.0614 0.2023 0.2023 0.2026 0.2026 6.9156 6.9156 6.9160 6.9160 7.2695 7.2695 7.2696 7.2696 k = 0.4625 0.3202 0.2513 ( 22620 PWs) bands (ev): -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -10.7745 -10.7745 -10.7745 -10.7745 -10.6814 -10.6814 -10.6814 -10.6814 -4.0359 -4.0359 -4.0359 -4.0359 -3.0906 -3.0906 -3.0899 -3.0899 -1.3309 -1.3309 -1.3302 -1.3302 -0.3645 -0.3645 -0.3640 -0.3640 -0.0536 -0.0536 -0.0531 -0.0531 0.2013 0.2013 0.2016 0.2016 6.9214 6.9214 6.9219 6.9219 7.2704 7.2704 7.2706 7.2706 k = 0.4500 0.3202 0.2513 ( 22620 PWs) bands (ev): -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -10.7762 -10.7762 -10.7762 -10.7762 -10.6856 -10.6856 -10.6856 -10.6856 -4.0196 -4.0196 -4.0196 -4.0196 -3.0939 -3.0939 -3.0929 -3.0929 -1.3180 -1.3180 -1.3172 -1.3172 -0.3777 -0.3777 -0.3772 -0.3772 -0.0431 -0.0431 -0.0426 -0.0426 0.1998 0.1998 0.2003 0.2003 6.9291 6.9291 6.9299 6.9299 7.2716 7.2716 7.2719 7.2719 k = 0.4375 0.3202 0.2513 ( 22628 PWs) bands (ev): -43.2627 -43.2627 -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -10.7784 -10.7784 -10.7783 -10.7783 -10.6910 -10.6910 -10.6910 -10.6910 -3.9988 -3.9988 -3.9988 -3.9988 -3.0979 -3.0979 -3.0967 -3.0967 -1.3016 -1.3016 -1.3006 -1.3006 -0.3934 -0.3934 -0.3928 -0.3928 -0.0309 -0.0309 -0.0303 -0.0303 0.1979 0.1979 0.1986 0.1986 6.9383 6.9383 6.9394 6.9394 7.2732 7.2732 7.2736 7.2736 k = 0.4250 0.3202 0.2513 ( 22620 PWs) bands (ev): -43.2627 -43.2627 -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -10.7810 -10.7810 -10.7809 -10.7809 -10.6974 -10.6974 -10.6974 -10.6974 -3.9735 -3.9735 -3.9735 -3.9735 -3.1028 -3.1028 -3.1014 -3.1014 -1.2817 -1.2817 -1.2805 -1.2805 -0.4110 -0.4110 -0.4103 -0.4103 -0.0175 -0.0175 -0.0169 -0.0169 0.1957 0.1957 0.1965 0.1965 6.9486 6.9486 6.9499 6.9499 7.2753 7.2753 7.2757 7.2757 k = 0.4125 0.3202 0.2513 ( 22616 PWs) bands (ev): -43.2627 -43.2627 -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -10.7841 -10.7841 -10.7840 -10.7840 -10.7049 -10.7049 -10.7049 -10.7049 -3.9439 -3.9439 -3.9439 -3.9439 -3.1084 -3.1084 -3.1068 -3.1068 -1.2583 -1.2583 -1.2569 -1.2569 -0.4301 -0.4301 -0.4293 -0.4293 -0.0034 -0.0034 -0.0027 -0.0027 0.1932 0.1932 0.1942 0.1942 6.9592 6.9592 6.9609 6.9609 7.2777 7.2777 7.2780 7.2780 k = 0.4000 0.3202 0.2513 ( 22612 PWs) bands (ev): -43.2627 -43.2627 -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -10.7875 -10.7875 -10.7875 -10.7875 -10.7133 -10.7133 -10.7133 -10.7133 -3.9100 -3.9100 -3.9100 -3.9100 -3.1147 -3.1147 -3.1129 -3.1129 -1.2315 -1.2315 -1.2301 -1.2301 -0.4502 -0.4502 -0.4494 -0.4494 0.0111 0.0111 0.0118 0.0118 0.1904 0.1904 0.1915 0.1915 6.9693 6.9693 6.9715 6.9715 7.2803 7.2803 7.2805 7.2805 k = 0.3875 0.3202 0.2513 ( 22612 PWs) bands (ev): -43.2627 -43.2627 -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -10.7914 -10.7914 -10.7913 -10.7913 -10.7227 -10.7227 -10.7227 -10.7227 -3.8720 -3.8720 -3.8720 -3.8720 -3.1217 -3.1217 -3.1197 -3.1197 -1.2016 -1.2016 -1.2000 -1.2000 -0.4711 -0.4711 -0.4702 -0.4702 0.0258 0.0258 0.0264 0.0264 0.1874 0.1874 0.1886 0.1886 6.9783 6.9783 6.9809 6.9809 7.2828 7.2828 7.2829 7.2829 k = 0.3750 0.3202 0.2513 ( 22616 PWs) bands (ev): -43.2627 -43.2627 -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -10.7956 -10.7956 -10.7955 -10.7955 -10.7329 -10.7329 -10.7329 -10.7329 -3.8301 -3.8301 -3.8300 -3.8300 -3.1292 -3.1292 -3.1272 -3.1272 -1.1685 -1.1685 -1.1669 -1.1669 -0.4925 -0.4925 -0.4917 -0.4917 0.0404 0.0404 0.0410 0.0410 0.1841 0.1841 0.1856 0.1856 6.9853 6.9853 6.9883 6.9883 7.2847 7.2847 7.2847 7.2847 k = 0.3625 0.3202 0.2513 ( 22612 PWs) bands (ev): -43.2627 -43.2627 -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -10.8002 -10.8002 -10.8001 -10.8001 -10.7439 -10.7439 -10.7439 -10.7439 -3.7844 -3.7844 -3.7843 -3.7843 -3.1373 -3.1373 -3.1351 -3.1351 -1.1326 -1.1326 -1.1309 -1.1309 -0.5143 -0.5143 -0.5135 -0.5135 0.0547 0.0547 0.0553 0.0553 0.1808 0.1808 0.1824 0.1824 6.9900 6.9900 6.9934 6.9934 7.2853 7.2853 7.2854 7.2854 k = 0.3500 0.3202 0.2513 ( 22612 PWs) bands (ev): -43.2627 -43.2627 -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -10.8050 -10.8050 -10.8049 -10.8049 -10.7555 -10.7555 -10.7555 -10.7555 -3.7350 -3.7350 -3.7349 -3.7349 -3.1458 -3.1458 -3.1436 -3.1436 -1.0938 -1.0938 -1.0921 -1.0921 -0.5363 -0.5363 -0.5355 -0.5355 0.0687 0.0687 0.0692 0.0692 0.1773 0.1773 0.1791 0.1791 6.9922 6.9922 6.9959 6.9959 7.2837 7.2837 7.2839 7.2839 k = 0.3375 0.3202 0.2513 ( 22616 PWs) bands (ev): -43.2627 -43.2627 -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -10.8101 -10.8101 -10.8100 -10.8100 -10.7677 -10.7677 -10.7677 -10.7677 -3.6823 -3.6823 -3.6822 -3.6822 -3.1548 -3.1548 -3.1524 -3.1524 -1.0525 -1.0525 -1.0509 -1.0509 -0.5583 -0.5583 -0.5575 -0.5575 0.0821 0.0821 0.0825 0.0825 0.1739 0.1739 0.1760 0.1760 6.9919 6.9919 6.9958 6.9958 7.2786 7.2786 7.2787 7.2787 k = 0.3250 0.3202 0.2513 ( 22620 PWs) bands (ev): -43.2627 -43.2627 -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -10.8155 -10.8155 -10.8154 -10.8154 -10.7805 -10.7805 -10.7805 -10.7805 -3.6263 -3.6263 -3.6263 -3.6263 -3.1640 -3.1640 -3.1617 -3.1617 -1.0089 -1.0089 -1.0072 -1.0072 -0.5803 -0.5803 -0.5795 -0.5795 0.0950 0.0950 0.0953 0.0953 0.1705 0.1705 0.1729 0.1729 6.9894 6.9894 6.9935 6.9935 7.2675 7.2675 7.2676 7.2676 k = 0.3125 0.3202 0.2513 ( 22592 PWs) bands (ev): -43.2627 -43.2627 -43.2627 -43.2627 -43.2627 -43.2627 -43.2627 -43.2627 -10.8211 -10.8211 -10.8209 -10.8209 -10.7936 -10.7936 -10.7936 -10.7936 -3.5675 -3.5675 -3.5674 -3.5674 -3.1736 -3.1736 -3.1712 -3.1712 -0.9631 -0.9631 -0.9616 -0.9616 -0.6021 -0.6021 -0.6014 -0.6014 0.1072 0.1072 0.1072 0.1072 0.1675 0.1675 0.1702 0.1702 6.9850 6.9850 6.9892 6.9892 7.2470 7.2470 7.2472 7.2472 k = 0.3000 0.3202 0.2513 ( 22580 PWs) bands (ev): -43.2627 -43.2627 -43.2627 -43.2627 -43.2627 -43.2627 -43.2627 -43.2627 -10.8268 -10.8268 -10.8267 -10.8267 -10.8071 -10.8071 -10.8071 -10.8071 -3.5059 -3.5059 -3.5058 -3.5058 -3.1834 -3.1834 -3.1809 -3.1809 -0.9154 -0.9154 -0.9141 -0.9141 -0.6236 -0.6236 -0.6229 -0.6229 0.1183 0.1183 0.1185 0.1185 0.1648 0.1648 0.1680 0.1680 6.9791 6.9791 6.9834 6.9834 7.2125 7.2125 7.2127 7.2127 k = 0.2875 0.3202 0.2513 ( 22592 PWs) bands (ev): -43.2628 -43.2628 -43.2628 -43.2628 -43.2627 -43.2627 -43.2627 -43.2627 -10.8326 -10.8326 -10.8325 -10.8325 -10.8207 -10.8207 -10.8207 -10.8207 -3.4418 -3.4418 -3.4417 -3.4417 -3.1933 -3.1933 -3.1909 -3.1909 -0.8662 -0.8662 -0.8651 -0.8651 -0.6447 -0.6447 -0.6441 -0.6441 0.1281 0.1281 0.1287 0.1287 0.1629 0.1629 0.1668 0.1668 6.9718 6.9718 6.9762 6.9762 7.1585 7.1585 7.1587 7.1587 k = 0.2750 0.3202 0.2513 ( 22588 PWs) bands (ev): -43.2628 -43.2628 -43.2628 -43.2628 -43.2627 -43.2627 -43.2627 -43.2627 -10.8386 -10.8386 -10.8384 -10.8384 -10.8346 -10.8346 -10.8346 -10.8346 -3.3756 -3.3756 -3.3755 -3.3755 -3.2032 -3.2032 -3.2009 -3.2009 -0.8160 -0.8160 -0.8152 -0.8152 -0.6652 -0.6652 -0.6648 -0.6648 0.1362 0.1362 0.1373 0.1373 0.1625 0.1625 0.1669 0.1669 6.9635 6.9635 6.9679 6.9679 7.0815 7.0815 7.0817 7.0817 k = 0.2625 0.3202 0.2513 ( 22604 PWs) bands (ev): -43.2628 -43.2628 -43.2628 -43.2628 -43.2627 -43.2627 -43.2627 -43.2627 -10.8484 -10.8484 -10.8484 -10.8484 -10.8446 -10.8446 -10.8444 -10.8444 -3.3076 -3.3076 -3.3074 -3.3074 -3.2132 -3.2132 -3.2109 -3.2109 -0.7654 -0.7654 -0.7653 -0.7653 -0.6844 -0.6844 -0.6842 -0.6842 0.1421 0.1421 0.1434 0.1434 0.1645 0.1645 0.1692 0.1692 6.9536 6.9536 6.9582 6.9582 6.9824 6.9824 6.9829 6.9829 k = 0.2500 0.3202 0.2513 ( 22612 PWs) bands (ev): -43.2628 -43.2628 -43.2628 -43.2628 -43.2627 -43.2627 -43.2627 -43.2627 -10.8623 -10.8623 -10.8623 -10.8623 -10.8506 -10.8506 -10.8505 -10.8505 -3.2382 -3.2382 -3.2381 -3.2381 -3.2229 -3.2229 -3.2206 -3.2206 -0.7247 -0.7247 -0.7215 -0.7215 -0.6962 -0.6962 -0.6930 -0.6930 0.1459 0.1459 0.1467 0.1467 0.1693 0.1693 0.1738 0.1738 6.8636 6.8636 6.8636 6.8636 6.9454 6.9454 6.9495 6.9495 k = 0.2375 0.3202 0.2513 ( 22612 PWs) bands (ev): -43.2628 -43.2628 -43.2628 -43.2628 -43.2627 -43.2627 -43.2627 -43.2627 -10.8760 -10.8760 -10.8760 -10.8760 -10.8566 -10.8566 -10.8564 -10.8564 -3.2332 -3.2332 -3.2310 -3.2310 -3.1670 -3.1670 -3.1668 -3.1668 -0.7304 -0.7304 -0.7282 -0.7282 -0.6568 -0.6568 -0.6549 -0.6549 0.1486 0.1486 0.1487 0.1487 0.1757 0.1757 0.1797 0.1797 6.7337 6.7337 6.7338 6.7338 6.9348 6.9348 6.9390 6.9390 k = 0.2250 0.3202 0.2513 ( 22608 PWs) bands (ev): -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -10.8895 -10.8895 -10.8895 -10.8895 -10.8625 -10.8625 -10.8624 -10.8624 -3.2429 -3.2429 -3.2407 -3.2407 -3.0953 -3.0953 -3.0952 -3.0952 -0.7476 -0.7476 -0.7459 -0.7459 -0.6062 -0.6062 -0.6051 -0.6051 0.1507 0.1507 0.1512 0.1512 0.1826 0.1826 0.1862 0.1862 6.5966 6.5966 6.5967 6.5967 6.9239 6.9239 6.9280 6.9280 k = 0.2125 0.3202 0.2513 ( 22612 PWs) bands (ev): -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -10.9027 -10.9027 -10.9027 -10.9027 -10.8684 -10.8684 -10.8682 -10.8682 -3.2524 -3.2524 -3.2503 -3.2503 -3.0232 -3.0232 -3.0231 -3.0231 -0.7653 -0.7653 -0.7638 -0.7638 -0.5557 -0.5557 -0.5551 -0.5551 0.1536 0.1536 0.1545 0.1545 0.1893 0.1893 0.1927 0.1927 6.4564 6.4564 6.4564 6.4564 6.9125 6.9125 6.9165 6.9165 k = 0.2000 0.3202 0.2513 ( 22620 PWs) bands (ev): -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -10.9156 -10.9156 -10.9156 -10.9156 -10.8741 -10.8741 -10.8739 -10.8739 -3.2617 -3.2617 -3.2597 -3.2597 -2.9511 -2.9511 -2.9509 -2.9509 -0.7825 -0.7825 -0.7812 -0.7812 -0.5065 -0.5065 -0.5064 -0.5064 0.1578 0.1578 0.1590 0.1590 0.1957 0.1957 0.1991 0.1991 6.3157 6.3157 6.3158 6.3158 6.9005 6.9005 6.9045 6.9045 k = 0.1875 0.3202 0.2513 ( 22616 PWs) bands (ev): -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -43.2628 -10.9280 -10.9280 -10.9280 -10.9280 -10.8796 -10.8796 -10.8795 -10.8795 -3.2706 -3.2706 -3.2687 -3.2687 -2.8793 -2.8793 -2.8791 -2.8791 -0.7991 -0.7991 -0.7979 -0.7979 -0.4597 -0.4597 -0.4595 -0.4595 0.1636 0.1636 0.1649 0.1649 0.2019 0.2019 0.2053 0.2053 6.1767 6.1767 6.1768 6.1768 6.8880 6.8880 6.8919 6.8919 k = 0.1750 0.3202 0.2513 ( 22624 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2628 -43.2628 -43.2628 -43.2628 -10.9400 -10.9400 -10.9400 -10.9400 -10.8850 -10.8850 -10.8849 -10.8849 -3.2792 -3.2792 -3.2774 -3.2774 -2.8084 -2.8084 -2.8082 -2.8082 -0.8150 -0.8150 -0.8138 -0.8138 -0.4157 -0.4157 -0.4152 -0.4152 0.1713 0.1713 0.1725 0.1725 0.2079 0.2079 0.2115 0.2115 6.0410 6.0410 6.0411 6.0411 6.8748 6.8748 6.8787 6.8787 k = 0.1625 0.3202 0.2513 ( 22624 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2628 -43.2628 -43.2628 -43.2628 -10.9514 -10.9514 -10.9514 -10.9514 -10.8901 -10.8901 -10.8900 -10.8900 -3.2874 -3.2874 -3.2857 -3.2857 -2.7388 -2.7388 -2.7386 -2.7386 -0.8301 -0.8301 -0.8290 -0.8290 -0.3752 -0.3752 -0.3743 -0.3743 0.1805 0.1805 0.1815 0.1815 0.2142 0.2142 0.2182 0.2182 5.9098 5.9098 5.9099 5.9099 6.8608 6.8608 6.8646 6.8646 k = 0.1500 0.3202 0.2513 ( 22632 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2628 -43.2628 -43.2628 -43.2628 -10.9622 -10.9622 -10.9622 -10.9622 -10.8950 -10.8950 -10.8949 -10.8949 -3.2952 -3.2952 -3.2936 -3.2936 -2.6710 -2.6710 -2.6708 -2.6708 -0.8444 -0.8444 -0.8433 -0.8433 -0.3385 -0.3385 -0.3374 -0.3374 0.1905 0.1905 0.1910 0.1910 0.2218 0.2218 0.2264 0.2264 5.7842 5.7842 5.7842 5.7842 6.8458 6.8458 6.8496 6.8496 k = 0.1375 0.3202 0.2513 ( 22616 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2628 -43.2628 -43.2628 -43.2628 -10.9723 -10.9723 -10.9723 -10.9723 -10.8996 -10.8996 -10.8995 -10.8995 -3.3024 -3.3024 -3.3010 -3.3010 -2.6057 -2.6057 -2.6054 -2.6054 -0.8578 -0.8578 -0.8568 -0.8568 -0.3060 -0.3060 -0.3047 -0.3047 0.1996 0.1996 0.1996 0.1996 0.2323 0.2323 0.2374 0.2374 5.6650 5.6650 5.6651 5.6651 6.8297 6.8297 6.8334 6.8334 k = 0.1250 0.3202 0.2513 ( 22612 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2628 -43.2628 -43.2628 -43.2628 -10.9818 -10.9818 -10.9818 -10.9818 -10.9039 -10.9039 -10.9038 -10.9038 -3.3092 -3.3092 -3.3078 -3.3078 -2.5432 -2.5432 -2.5430 -2.5430 -0.8703 -0.8703 -0.8693 -0.8693 -0.2780 -0.2780 -0.2766 -0.2766 0.2062 0.2062 0.2065 0.2065 0.2469 0.2469 0.2521 0.2521 5.5532 5.5532 5.5533 5.5533 6.8123 6.8123 6.8158 6.8158 k = 0.1125 0.3202 0.2513 ( 22608 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -10.9904 -10.9904 -10.9904 -10.9904 -10.9078 -10.9078 -10.9077 -10.9077 -3.3154 -3.3154 -3.3142 -3.3142 -2.4843 -2.4843 -2.4841 -2.4841 -0.8818 -0.8818 -0.8809 -0.8809 -0.2543 -0.2543 -0.2528 -0.2528 0.2109 0.2109 0.2110 0.2110 0.2652 0.2652 0.2700 0.2700 5.4495 5.4495 5.4495 5.4495 6.7935 6.7935 6.7967 6.7967 k = 0.1000 0.3202 0.2513 ( 22600 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -10.9983 -10.9983 -10.9983 -10.9983 -10.9114 -10.9114 -10.9113 -10.9113 -3.3210 -3.3210 -3.3199 -3.3199 -2.4295 -2.4295 -2.4293 -2.4293 -0.8923 -0.8923 -0.8914 -0.8914 -0.2348 -0.2348 -0.2333 -0.2333 0.2141 0.2141 0.2141 0.2141 0.2856 0.2856 0.2899 0.2899 5.3545 5.3545 5.3546 5.3546 6.7732 6.7732 6.7761 6.7761 k = 0.0875 0.3202 0.2513 ( 22592 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0053 -11.0053 -11.0053 -11.0053 -10.9146 -10.9146 -10.9146 -10.9146 -3.3260 -3.3260 -3.3251 -3.3251 -2.3793 -2.3793 -2.3791 -2.3791 -0.9018 -0.9018 -0.9010 -0.9010 -0.2189 -0.2189 -0.2175 -0.2175 0.2162 0.2162 0.2163 0.2163 0.3068 0.3068 0.3106 0.3106 5.2690 5.2690 5.2691 5.2691 6.7517 6.7517 6.7543 6.7543 k = 0.0750 0.3202 0.2513 ( 22580 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0114 -11.0114 -11.0114 -11.0114 -10.9174 -10.9174 -10.9174 -10.9174 -3.3304 -3.3304 -3.3296 -3.3296 -2.3344 -2.3344 -2.3342 -2.3342 -0.9101 -0.9101 -0.9094 -0.9094 -0.2062 -0.2062 -0.2050 -0.2050 0.2177 0.2177 0.2179 0.2179 0.3276 0.3276 0.3310 0.3310 5.1936 5.1936 5.1936 5.1936 6.7296 6.7296 6.7318 6.7318 k = 0.0625 0.3202 0.2513 ( 22560 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0167 -11.0167 -11.0167 -11.0167 -10.9199 -10.9199 -10.9198 -10.9198 -3.3342 -3.3342 -3.3335 -3.3335 -2.2953 -2.2953 -2.2952 -2.2952 -0.9173 -0.9173 -0.9166 -0.9166 -0.1964 -0.1964 -0.1953 -0.1953 0.2188 0.2188 0.2189 0.2189 0.3471 0.3471 0.3499 0.3499 5.1287 5.1287 5.1287 5.1287 6.7079 6.7079 6.7097 6.7097 k = 0.0500 0.3202 0.2513 ( 22548 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0210 -11.0210 -11.0210 -11.0210 -10.9219 -10.9219 -10.9218 -10.9218 -3.3372 -3.3372 -3.3367 -3.3367 -2.2625 -2.2625 -2.2624 -2.2624 -0.9232 -0.9232 -0.9227 -0.9227 -0.1888 -0.1888 -0.1880 -0.1880 0.2195 0.2195 0.2196 0.2196 0.3643 0.3643 0.3666 0.3666 5.0749 5.0749 5.0750 5.0750 6.6877 6.6877 6.6891 6.6891 k = 0.0375 0.3202 0.2513 ( 22544 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0244 -11.0244 -11.0244 -11.0244 -10.9234 -10.9234 -10.9234 -10.9234 -3.3396 -3.3396 -3.3392 -3.3392 -2.2365 -2.2365 -2.2364 -2.2364 -0.9279 -0.9279 -0.9275 -0.9275 -0.1833 -0.1833 -0.1827 -0.1827 0.2199 0.2199 0.2201 0.2201 0.3785 0.3785 0.3802 0.3802 5.0326 5.0326 5.0327 5.0327 6.6703 6.6703 6.6713 6.6713 k = 0.0250 0.3202 0.2513 ( 22552 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0268 -11.0268 -11.0268 -11.0268 -10.9245 -10.9245 -10.9245 -10.9245 -3.3413 -3.3413 -3.3410 -3.3410 -2.2176 -2.2176 -2.2175 -2.2175 -0.9312 -0.9312 -0.9310 -0.9310 -0.1796 -0.1796 -0.1791 -0.1791 0.2202 0.2202 0.2203 0.2203 0.3892 0.3892 0.3903 0.3903 5.0022 5.0022 5.0022 5.0022 6.6570 6.6570 6.6577 6.6577 k = 0.0125 0.3202 0.2513 ( 22568 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0283 -11.0283 -11.0283 -11.0283 -10.9252 -10.9252 -10.9252 -10.9252 -3.3423 -3.3423 -3.3422 -3.3422 -2.2062 -2.2062 -2.2061 -2.2061 -0.9333 -0.9333 -0.9331 -0.9331 -0.1773 -0.1773 -0.1771 -0.1771 0.2204 0.2204 0.2204 0.2204 0.3958 0.3958 0.3964 0.3964 4.9838 4.9838 4.9838 4.9838 6.6487 6.6487 6.6490 6.6490 k = 0.0000 0.3202 0.2513 ( 22572 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0288 -11.0288 -11.0288 -11.0288 -10.9254 -10.9254 -10.9254 -10.9254 -3.3426 -3.3426 -3.3426 -3.3426 -2.2023 -2.2023 -2.2023 -2.2023 -0.9339 -0.9339 -0.9339 -0.9339 -0.1765 -0.1765 -0.1765 -0.1765 0.2205 0.2205 0.2205 0.2205 0.3983 0.3983 0.3983 0.3983 4.9777 4.9777 4.9777 4.9777 6.6459 6.6459 6.6459 6.6459 k = 0.0000 0.3202 0.2513 ( 22572 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0288 -11.0288 -11.0288 -11.0288 -10.9254 -10.9254 -10.9254 -10.9254 -3.3426 -3.3426 -3.3426 -3.3426 -2.2023 -2.2023 -2.2023 -2.2023 -0.9339 -0.9339 -0.9339 -0.9339 -0.1765 -0.1765 -0.1765 -0.1765 0.2205 0.2205 0.2205 0.2205 0.3983 0.3983 0.3983 0.3983 4.9777 4.9777 4.9777 4.9777 6.6459 6.6459 6.6459 6.6459 k = 0.0000 0.3079 0.2513 ( 22566 PWs) bands (ev): -43.2631 -43.2631 -43.2631 -43.2631 -43.2627 -43.2627 -43.2627 -43.2627 -11.0297 -11.0297 -11.0297 -11.0297 -10.9245 -10.9245 -10.9245 -10.9245 -3.3424 -3.3424 -3.3424 -3.3424 -2.2024 -2.2024 -2.2023 -2.2023 -0.9337 -0.9337 -0.9333 -0.9333 -0.1813 -0.1813 -0.1799 -0.1799 0.2230 0.2230 0.2252 0.2252 0.3978 0.3978 0.3990 0.3990 4.9773 4.9773 4.9775 4.9775 6.6431 6.6431 6.6436 6.6436 k = 0.0000 0.2956 0.2513 ( 22576 PWs) bands (ev): -43.2633 -43.2633 -43.2633 -43.2633 -43.2625 -43.2625 -43.2625 -43.2625 -11.0323 -11.0323 -11.0323 -11.0323 -10.9218 -10.9218 -10.9218 -10.9218 -3.3419 -3.3419 -3.3419 -3.3419 -2.2025 -2.2025 -2.2024 -2.2024 -0.9328 -0.9328 -0.9320 -0.9320 -0.1937 -0.1937 -0.1909 -0.1909 0.2322 0.2322 0.2366 0.2366 0.3974 0.3974 0.3999 0.3999 4.9764 4.9764 4.9768 4.9768 6.6351 6.6351 6.6360 6.6360 k = 0.0000 0.2833 0.2513 ( 22568 PWs) bands (ev): -43.2635 -43.2635 -43.2635 -43.2635 -43.2624 -43.2624 -43.2624 -43.2624 -11.0364 -11.0364 -11.0363 -11.0363 -10.9176 -10.9176 -10.9176 -10.9176 -3.3410 -3.3410 -3.3410 -3.3410 -2.2026 -2.2026 -2.2025 -2.2025 -0.9312 -0.9312 -0.9300 -0.9300 -0.2123 -0.2123 -0.2085 -0.2085 0.2470 0.2470 0.2535 0.2535 0.3973 0.3973 0.4012 0.4012 4.9750 4.9750 4.9756 4.9756 6.6217 6.6217 6.6231 6.6231 k = 0.0000 0.2709 0.2513 ( 22556 PWs) bands (ev): -43.2637 -43.2637 -43.2637 -43.2637 -43.2622 -43.2622 -43.2622 -43.2622 -11.0416 -11.0416 -11.0415 -11.0415 -10.9123 -10.9123 -10.9122 -10.9122 -3.3398 -3.3398 -3.3398 -3.3398 -2.2028 -2.2028 -2.2027 -2.2027 -0.9290 -0.9290 -0.9273 -0.9273 -0.2358 -0.2358 -0.2311 -0.2311 0.2658 0.2658 0.2744 0.2744 0.3972 0.3972 0.4029 0.4029 4.9730 4.9730 4.9738 4.9738 6.6029 6.6029 6.6047 6.6047 k = 0.0000 0.2586 0.2513 ( 22550 PWs) bands (ev): -43.2638 -43.2638 -43.2638 -43.2638 -43.2620 -43.2620 -43.2620 -43.2620 -11.0475 -11.0475 -11.0474 -11.0474 -10.9061 -10.9061 -10.9060 -10.9060 -3.3383 -3.3383 -3.3382 -3.3382 -2.2031 -2.2031 -2.2029 -2.2029 -0.9261 -0.9261 -0.9240 -0.9240 -0.2627 -0.2627 -0.2573 -0.2573 0.2868 0.2868 0.2980 0.2980 0.3973 0.3973 0.4053 0.4053 4.9706 4.9706 4.9716 4.9716 6.5786 6.5786 6.5808 6.5808 k = 0.0000 0.2463 0.2513 ( 22554 PWs) bands (ev): -43.2640 -43.2640 -43.2640 -43.2640 -43.2618 -43.2618 -43.2618 -43.2618 -11.0540 -11.0540 -11.0539 -11.0539 -10.8994 -10.8994 -10.8993 -10.8993 -3.3365 -3.3365 -3.3364 -3.3364 -2.2034 -2.2034 -2.2032 -2.2032 -0.9227 -0.9227 -0.9202 -0.9202 -0.2918 -0.2918 -0.2858 -0.2858 0.3087 0.3087 0.3232 0.3232 0.3975 0.3975 0.4087 0.4087 4.9678 4.9678 4.9689 4.9689 6.5494 6.5494 6.5518 6.5518 k = 0.0000 0.2340 0.2513 ( 22574 PWs) bands (ev): -43.2642 -43.2642 -43.2642 -43.2642 -43.2616 -43.2616 -43.2616 -43.2616 -11.0608 -11.0608 -11.0607 -11.0607 -10.8923 -10.8923 -10.8921 -10.8921 -3.3344 -3.3344 -3.3343 -3.3343 -2.2037 -2.2037 -2.2035 -2.2035 -0.9189 -0.9189 -0.9159 -0.9159 -0.3222 -0.3222 -0.3158 -0.3158 0.3298 0.3298 0.3490 0.3490 0.3979 0.3979 0.4139 0.4139 4.9646 4.9646 4.9659 4.9659 6.5158 6.5158 6.5184 6.5184 k = 0.0000 0.2217 0.2513 ( 22580 PWs) bands (ev): -43.2644 -43.2644 -43.2644 -43.2644 -43.2614 -43.2614 -43.2614 -43.2614 -11.0677 -11.0677 -11.0676 -11.0676 -10.8850 -10.8850 -10.8849 -10.8849 -3.3320 -3.3320 -3.3319 -3.3319 -2.2041 -2.2041 -2.2038 -2.2038 -0.9147 -0.9147 -0.9113 -0.9113 -0.3532 -0.3532 -0.3464 -0.3464 0.3483 0.3483 0.3744 0.3744 0.3990 0.3990 0.4219 0.4219 4.9611 4.9611 4.9625 4.9625 6.4786 6.4786 6.4814 6.4814 k = 0.0000 0.2094 0.2513 ( 22580 PWs) bands (ev): -43.2645 -43.2645 -43.2645 -43.2645 -43.2613 -43.2613 -43.2613 -43.2613 -11.0747 -11.0747 -11.0746 -11.0746 -10.8776 -10.8776 -10.8775 -10.8775 -3.3294 -3.3294 -3.3293 -3.3293 -2.2045 -2.2045 -2.2042 -2.2042 -0.9104 -0.9104 -0.9065 -0.9065 -0.3842 -0.3842 -0.3770 -0.3770 0.3628 0.3628 0.3933 0.3933 0.4063 0.4063 0.4337 0.4337 4.9573 4.9573 4.9589 4.9589 6.4390 6.4390 6.4419 6.4419 k = 0.0000 0.1970 0.2513 ( 22576 PWs) bands (ev): -43.2647 -43.2647 -43.2647 -43.2647 -43.2611 -43.2611 -43.2611 -43.2611 -11.0816 -11.0816 -11.0815 -11.0815 -10.8703 -10.8703 -10.8702 -10.8702 -3.3266 -3.3266 -3.3265 -3.3265 -2.2049 -2.2049 -2.2046 -2.2046 -0.9060 -0.9060 -0.9017 -0.9017 -0.4147 -0.4147 -0.4072 -0.4072 0.3729 0.3729 0.3967 0.3967 0.4285 0.4285 0.4495 0.4495 4.9533 4.9533 4.9550 4.9550 6.3979 6.3979 6.4007 6.4007 k = 0.0000 0.1847 0.2513 ( 22566 PWs) bands (ev): -43.2649 -43.2649 -43.2649 -43.2649 -43.2610 -43.2610 -43.2610 -43.2610 -11.0883 -11.0883 -11.0882 -11.0882 -10.8631 -10.8631 -10.8630 -10.8630 -3.3236 -3.3236 -3.3235 -3.3235 -2.2054 -2.2054 -2.2051 -2.2051 -0.9017 -0.9017 -0.8970 -0.8970 -0.4442 -0.4442 -0.4364 -0.4364 0.3794 0.3794 0.3975 0.3975 0.4524 0.4524 0.4678 0.4678 4.9492 4.9492 4.9510 4.9510 6.3562 6.3562 6.3590 6.3590 k = 0.0000 0.1724 0.2513 ( 22566 PWs) bands (ev): -43.2650 -43.2650 -43.2650 -43.2650 -43.2608 -43.2608 -43.2608 -43.2608 -11.0948 -11.0948 -11.0948 -11.0948 -10.8562 -10.8562 -10.8561 -10.8561 -3.3205 -3.3205 -3.3204 -3.3204 -2.2059 -2.2059 -2.2055 -2.2055 -0.8977 -0.8977 -0.8925 -0.8925 -0.4724 -0.4724 -0.4643 -0.4643 0.3838 0.3838 0.3981 0.3981 0.4754 0.4754 0.4872 0.4872 4.9451 4.9451 4.9469 4.9469 6.3146 6.3146 6.3174 6.3174 k = 0.0000 0.1601 0.2513 ( 22558 PWs) bands (ev): -43.2651 -43.2651 -43.2651 -43.2651 -43.2607 -43.2607 -43.2607 -43.2607 -11.1011 -11.1011 -11.1010 -11.1010 -10.8495 -10.8495 -10.8494 -10.8494 -3.3173 -3.3173 -3.3172 -3.3172 -2.2063 -2.2063 -2.2060 -2.2060 -0.8941 -0.8941 -0.8886 -0.8886 -0.4989 -0.4989 -0.4906 -0.4906 0.3869 0.3869 0.3986 0.3986 0.4973 0.4973 0.5065 0.5065 4.9409 4.9409 4.9427 4.9427 6.2740 6.2740 6.2766 6.2766 k = 0.0000 0.1478 0.2513 ( 22540 PWs) bands (ev): -43.2653 -43.2653 -43.2653 -43.2653 -43.2605 -43.2605 -43.2605 -43.2605 -11.1070 -11.1070 -11.1069 -11.1069 -10.8431 -10.8431 -10.8430 -10.8430 -3.3141 -3.3141 -3.3140 -3.3140 -2.2068 -2.2068 -2.2064 -2.2064 -0.8912 -0.8912 -0.8853 -0.8853 -0.5233 -0.5233 -0.5149 -0.5149 0.3893 0.3893 0.3990 0.3990 0.5177 0.5177 0.5252 0.5252 4.9368 4.9368 4.9386 4.9386 6.2348 6.2348 6.2373 6.2373 k = 0.0000 0.1355 0.2513 ( 22564 PWs) bands (ev): -43.2654 -43.2654 -43.2654 -43.2654 -43.2604 -43.2604 -43.2604 -43.2604 -11.1126 -11.1126 -11.1125 -11.1125 -10.8370 -10.8370 -10.8370 -10.8370 -3.3109 -3.3109 -3.3108 -3.3108 -2.2072 -2.2072 -2.2069 -2.2069 -0.8890 -0.8890 -0.8829 -0.8829 -0.5455 -0.5455 -0.5370 -0.5370 0.3911 0.3911 0.3994 0.3994 0.5367 0.5367 0.5429 0.5429 4.9328 4.9328 4.9346 4.9346 6.1975 6.1975 6.1998 6.1998 k = 0.0000 0.1232 0.2513 ( 22562 PWs) bands (ev): -43.2655 -43.2655 -43.2655 -43.2655 -43.2603 -43.2603 -43.2603 -43.2603 -11.1178 -11.1178 -11.1177 -11.1177 -10.8314 -10.8314 -10.8313 -10.8313 -3.3078 -3.3078 -3.3077 -3.3077 -2.2077 -2.2077 -2.2073 -2.2073 -0.8877 -0.8877 -0.8814 -0.8814 -0.5651 -0.5651 -0.5567 -0.5567 0.3927 0.3927 0.3998 0.3998 0.5541 0.5541 0.5593 0.5593 4.9290 4.9290 4.9307 4.9307 6.1625 6.1625 6.1647 6.1647 k = 0.0000 0.1108 0.2513 ( 22568 PWs) bands (ev): -43.2656 -43.2656 -43.2656 -43.2656 -43.2602 -43.2602 -43.2602 -43.2602 -11.1225 -11.1225 -11.1225 -11.1225 -10.8262 -10.8262 -10.8262 -10.8262 -3.3048 -3.3048 -3.3046 -3.3046 -2.2081 -2.2081 -2.2077 -2.2077 -0.8872 -0.8872 -0.8811 -0.8811 -0.5820 -0.5820 -0.5739 -0.5739 0.3940 0.3940 0.4001 0.4001 0.5699 0.5699 0.5743 0.5743 4.9254 4.9254 4.9270 4.9270 6.1301 6.1301 6.1321 6.1321 k = 0.0000 0.0985 0.2513 ( 22596 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2601 -43.2601 -43.2601 -43.2601 -11.1269 -11.1269 -11.1268 -11.1268 -10.8215 -10.8215 -10.8214 -10.8214 -3.3019 -3.3019 -3.3018 -3.3018 -2.2084 -2.2084 -2.2081 -2.2081 -0.8877 -0.8877 -0.8818 -0.8818 -0.5963 -0.5963 -0.5886 -0.5886 0.3952 0.3952 0.4004 0.4004 0.5840 0.5840 0.5878 0.5878 4.9221 4.9221 4.9236 4.9236 6.1006 6.1006 6.1024 6.1024 k = 0.0000 0.0862 0.2513 ( 22592 PWs) bands (ev): -43.2658 -43.2658 -43.2658 -43.2658 -43.2600 -43.2600 -43.2600 -43.2600 -11.1307 -11.1307 -11.1307 -11.1307 -10.8173 -10.8173 -10.8172 -10.8172 -3.2992 -3.2992 -3.2991 -3.2991 -2.2088 -2.2088 -2.2085 -2.2085 -0.8890 -0.8890 -0.8834 -0.8834 -0.6079 -0.6079 -0.6008 -0.6008 0.3962 0.3962 0.4007 0.4007 0.5965 0.5965 0.5997 0.5997 4.9191 4.9191 4.9204 4.9204 6.0742 6.0742 6.0758 6.0758 k = 0.0000 0.0739 0.2513 ( 22604 PWs) bands (ev): -43.2659 -43.2659 -43.2659 -43.2659 -43.2600 -43.2600 -43.2600 -43.2600 -11.1341 -11.1341 -11.1341 -11.1341 -10.8136 -10.8136 -10.8135 -10.8135 -3.2968 -3.2968 -3.2967 -3.2967 -2.2091 -2.2091 -2.2088 -2.2088 -0.8908 -0.8908 -0.8858 -0.8858 -0.6170 -0.6170 -0.6106 -0.6106 0.3971 0.3971 0.4009 0.4009 0.6074 0.6074 0.6100 0.6100 4.9164 4.9164 4.9176 4.9176 6.0510 6.0510 6.0524 6.0524 k = 0.0000 0.0616 0.2513 ( 22594 PWs) bands (ev): -43.2659 -43.2659 -43.2659 -43.2659 -43.2599 -43.2599 -43.2599 -43.2599 -11.1370 -11.1370 -11.1370 -11.1370 -10.8104 -10.8104 -10.8103 -10.8103 -3.2947 -3.2947 -3.2946 -3.2946 -2.2094 -2.2094 -2.2091 -2.2091 -0.8930 -0.8930 -0.8886 -0.8886 -0.6239 -0.6239 -0.6184 -0.6184 0.3980 0.3980 0.4010 0.4010 0.6165 0.6165 0.6186 0.6186 4.9141 4.9141 4.9152 4.9152 6.0312 6.0312 6.0324 6.0324 k = 0.0000 0.0493 0.2513 ( 22602 PWs) bands (ev): -43.2660 -43.2660 -43.2660 -43.2660 -43.2599 -43.2599 -43.2599 -43.2599 -11.1394 -11.1394 -11.1394 -11.1394 -10.8078 -10.8078 -10.8077 -10.8077 -3.2929 -3.2929 -3.2928 -3.2928 -2.2096 -2.2096 -2.2094 -2.2094 -0.8952 -0.8952 -0.8916 -0.8916 -0.6289 -0.6289 -0.6244 -0.6244 0.3987 0.3987 0.4011 0.4011 0.6241 0.6241 0.6257 0.6257 4.9122 4.9122 4.9131 4.9131 6.0149 6.0149 6.0159 6.0159 k = 0.0000 0.0369 0.2513 ( 22606 PWs) bands (ev): -43.2660 -43.2660 -43.2660 -43.2660 -43.2598 -43.2598 -43.2598 -43.2598 -11.1413 -11.1413 -11.1412 -11.1412 -10.8057 -10.8057 -10.8057 -10.8057 -3.2914 -3.2914 -3.2914 -3.2914 -2.2097 -2.2097 -2.2096 -2.2096 -0.8972 -0.8972 -0.8944 -0.8944 -0.6322 -0.6322 -0.6288 -0.6288 0.3993 0.3993 0.4011 0.4011 0.6299 0.6299 0.6312 0.6312 4.9108 4.9108 4.9114 4.9114 6.0022 6.0022 6.0029 6.0029 k = 0.0000 0.0246 0.2513 ( 22590 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2598 -43.2598 -43.2598 -43.2598 -11.1426 -11.1426 -11.1426 -11.1426 -10.8042 -10.8042 -10.8042 -10.8042 -3.2904 -3.2904 -3.2903 -3.2903 -2.2099 -2.2099 -2.2098 -2.2098 -0.8986 -0.8986 -0.8968 -0.8968 -0.6343 -0.6343 -0.6320 -0.6320 0.3998 0.3998 0.4010 0.4010 0.6342 0.6342 0.6350 0.6350 4.9097 4.9097 4.9102 4.9102 5.9931 5.9931 5.9936 5.9936 k = 0.0000 0.0123 0.2513 ( 22586 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2598 -43.2598 -43.2598 -43.2598 -11.1434 -11.1434 -11.1434 -11.1434 -10.8033 -10.8033 -10.8033 -10.8033 -3.2897 -3.2897 -3.2897 -3.2897 -2.2099 -2.2099 -2.2099 -2.2099 -0.8994 -0.8994 -0.8985 -0.8985 -0.6352 -0.6352 -0.6340 -0.6340 0.4002 0.4002 0.4008 0.4008 0.6368 0.6368 0.6372 0.6372 4.9092 4.9092 4.9094 4.9094 5.9877 5.9877 5.9879 5.9879 k = 0.0000 0.0000 0.2513 ( 22584 PWs) bands (ev): -43.2661 -43.2661 -43.2661 -43.2661 -43.2598 -43.2598 -43.2598 -43.2598 -11.1437 -11.1437 -11.1437 -11.1437 -10.8030 -10.8030 -10.8030 -10.8030 -3.2895 -3.2895 -3.2895 -3.2895 -2.2099 -2.2099 -2.2099 -2.2099 -0.8994 -0.8994 -0.8994 -0.8994 -0.6351 -0.6351 -0.6351 -0.6351 0.4006 0.4006 0.4006 0.4006 0.6378 0.6378 0.6378 0.6378 4.9091 4.9091 4.9091 4.9091 5.9859 5.9859 5.9859 5.9859 k = 0.0000 0.3202-0.0000 ( 22554 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.1066 -11.1066 -11.1023 -11.1023 -10.9474 -10.9474 -10.7260 -10.7260 -4.2085 -4.2085 -2.2183 -2.2183 -2.1978 -2.1978 -2.1810 -2.1810 -1.6075 -1.6075 -0.3144 -0.3144 -0.3050 -0.3050 -0.1160 -0.1160 0.2868 0.2868 0.2919 0.2919 0.3986 0.3986 0.5173 0.5173 4.8455 4.8455 4.9013 4.9013 5.0291 5.0291 6.4913 6.4913 k = 0.0000 0.3202 0.0120 ( 22558 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2627 -43.2627 -43.2627 -43.2627 -11.1063 -11.1063 -11.1018 -11.1018 -10.9476 -10.9476 -10.7266 -10.7266 -4.2062 -4.2062 -2.2222 -2.2222 -2.1979 -2.1979 -2.1811 -2.1811 -1.6056 -1.6056 -0.3142 -0.3142 -0.3055 -0.3055 -0.1161 -0.1161 0.2857 0.2857 0.2918 0.2918 0.3980 0.3980 0.5170 0.5170 4.8512 4.8512 4.9016 4.9016 5.0290 5.0290 6.4923 6.4923 k = 0.0000 0.3202 0.0239 ( 22572 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2628 -43.2628 -43.2627 -43.2627 -11.1057 -11.1057 -11.1004 -11.1004 -10.9483 -10.9483 -10.7284 -10.7284 -4.1995 -4.1995 -2.2339 -2.2339 -2.1983 -2.1983 -2.1813 -2.1813 -1.6000 -1.6000 -0.3146 -0.3146 -0.3061 -0.3061 -0.1165 -0.1165 0.2820 0.2820 0.2922 0.2922 0.3962 0.3962 0.5159 0.5159 4.8681 4.8681 4.9025 4.9025 5.0290 5.0290 6.4954 6.4954 k = 0.0000 0.3202 0.0359 ( 22560 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2628 -43.2628 -43.2627 -43.2627 -11.1046 -11.1046 -11.0981 -11.0981 -10.9495 -10.9495 -10.7314 -10.7314 -4.1884 -4.1884 -2.2531 -2.2531 -2.1989 -2.1989 -2.1816 -2.1816 -1.5907 -1.5907 -0.3180 -0.3180 -0.3045 -0.3045 -0.1172 -0.1172 0.2755 0.2755 0.2933 0.2933 0.3933 0.3933 0.5142 0.5142 4.8956 4.8956 4.9043 4.9043 5.0288 5.0288 6.5006 6.5006 k = 0.0000 0.3202 0.0479 ( 22554 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2628 -43.2628 -43.2627 -43.2627 -11.1032 -11.1032 -11.0948 -11.0948 -10.9511 -10.9511 -10.7355 -10.7355 -4.1728 -4.1728 -2.2796 -2.2796 -2.1996 -2.1996 -2.1821 -2.1821 -1.5778 -1.5778 -0.3249 -0.3249 -0.3007 -0.3007 -0.1181 -0.1181 0.2667 0.2667 0.2952 0.2952 0.3893 0.3893 0.5117 0.5117 4.9052 4.9052 4.9355 4.9355 5.0285 5.0285 6.5079 6.5079 k = 0.0000 0.3202 0.0598 ( 22550 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2628 -43.2628 -43.2628 -43.2628 -11.1013 -11.1013 -11.0907 -11.0907 -10.9532 -10.9532 -10.7407 -10.7407 -4.1529 -4.1529 -2.3129 -2.3129 -2.2005 -2.2005 -2.1827 -2.1827 -1.5614 -1.5614 -0.3348 -0.3348 -0.2954 -0.2954 -0.1193 -0.1193 0.2561 0.2561 0.2977 0.2977 0.3841 0.3841 0.5086 0.5086 4.9075 4.9075 4.9850 4.9850 5.0281 5.0281 6.5172 6.5172 k = 0.0000 0.3202 0.0718 ( 22536 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2628 -43.2628 -43.2628 -43.2628 -11.0990 -11.0990 -11.0856 -11.0856 -10.9556 -10.9556 -10.7470 -10.7470 -4.1287 -4.1287 -2.3526 -2.3526 -2.2014 -2.2014 -2.1835 -2.1835 -1.5416 -1.5416 -0.3478 -0.3478 -0.2891 -0.2891 -0.1208 -0.1208 0.2445 0.2445 0.3008 0.3008 0.3780 0.3780 0.5049 0.5049 4.9102 4.9102 5.0268 5.0268 5.0455 5.0455 6.5286 6.5286 k = 0.0000 0.3202 0.0838 ( 22528 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2628 -43.2628 -43.2628 -43.2628 -11.0963 -11.0963 -11.0797 -11.0797 -10.9585 -10.9585 -10.7543 -10.7543 -4.1003 -4.1003 -2.3981 -2.3981 -2.2024 -2.2024 -2.1843 -2.1843 -1.5184 -1.5184 -0.3641 -0.3641 -0.2821 -0.2821 -0.1225 -0.1225 0.2324 0.2324 0.3044 0.3044 0.3708 0.3708 0.5005 0.5005 4.9133 4.9133 5.0261 5.0261 5.1149 5.1149 6.5421 6.5421 k = 0.0000 0.3202 0.0958 ( 22540 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2628 -43.2628 -43.2628 -43.2628 -11.0933 -11.0933 -11.0729 -11.0729 -10.9618 -10.9618 -10.7626 -10.7626 -4.0678 -4.0678 -2.4489 -2.4489 -2.2034 -2.2034 -2.1853 -2.1853 -1.4921 -1.4921 -0.3841 -0.3841 -0.2746 -0.2746 -0.1245 -0.1245 0.2205 0.2205 0.3085 0.3085 0.3627 0.3627 0.4956 0.4956 4.9167 4.9167 5.0248 5.0248 5.1940 5.1940 6.5578 6.5578 k = 0.0000 0.3202 0.1077 ( 22542 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2628 -43.2628 -43.2628 -43.2628 -11.0899 -11.0899 -11.0653 -11.0653 -10.9655 -10.9655 -10.7718 -10.7718 -4.0313 -4.0313 -2.5045 -2.5045 -2.2042 -2.2042 -2.1864 -2.1864 -1.4628 -1.4628 -0.4079 -0.4079 -0.2666 -0.2666 -0.1268 -0.1268 0.2095 0.2095 0.3132 0.3132 0.3538 0.3538 0.4901 0.4901 4.9205 4.9205 5.0231 5.0231 5.2819 5.2819 6.5756 6.5756 k = 0.0000 0.3202 0.1197 ( 22534 PWs) bands (ev): -43.2631 -43.2631 -43.2630 -43.2630 -43.2628 -43.2628 -43.2628 -43.2628 -11.0861 -11.0861 -11.0570 -11.0570 -10.9695 -10.9695 -10.7819 -10.7819 -3.9910 -3.9910 -2.5641 -2.5641 -2.2050 -2.2050 -2.1875 -2.1875 -1.4305 -1.4305 -0.4357 -0.4357 -0.2584 -0.2584 -0.1293 -0.1293 0.2000 0.2000 0.3183 0.3183 0.3442 0.3442 0.4841 0.4841 4.9245 4.9245 5.0210 5.0210 5.3781 5.3781 6.5957 6.5957 k = 0.0000 0.3202 0.1317 ( 22538 PWs) bands (ev): -43.2630 -43.2630 -43.2630 -43.2630 -43.2628 -43.2628 -43.2628 -43.2628 -11.0821 -11.0821 -11.0478 -11.0478 -10.9739 -10.9739 -10.7927 -10.7927 -3.9469 -3.9469 -2.6273 -2.6273 -2.2057 -2.2057 -2.1888 -2.1888 -1.3955 -1.3955 -0.4675 -0.4675 -0.2501 -0.2501 -0.1322 -0.1322 0.1922 0.1922 0.3238 0.3238 0.3340 0.3340 0.4777 0.4777 4.9288 4.9288 5.0185 5.0185 5.4818 5.4818 6.6181 6.6181 k = 0.0000 0.3202 0.1436 ( 22538 PWs) bands (ev): -43.2630 -43.2630 -43.2630 -43.2630 -43.2628 -43.2628 -43.2628 -43.2628 -11.0777 -11.0777 -11.0380 -11.0380 -10.9785 -10.9785 -10.8042 -10.8042 -3.8993 -3.8993 -2.6935 -2.6935 -2.2061 -2.2061 -2.1901 -2.1901 -1.3579 -1.3579 -0.5031 -0.5031 -0.2419 -0.2419 -0.1353 -0.1353 0.1865 0.1865 0.3229 0.3229 0.3301 0.3301 0.4709 0.4709 4.9333 4.9333 5.0157 5.0157 5.5922 5.5922 6.6429 6.6429 k = 0.0000 0.3202 0.1556 ( 22548 PWs) bands (ev): -43.2630 -43.2630 -43.2630 -43.2630 -43.2628 -43.2628 -43.2628 -43.2628 -11.0730 -11.0730 -11.0274 -11.0274 -10.9834 -10.9834 -10.8163 -10.8163 -3.8483 -3.8483 -2.7621 -2.7621 -2.2064 -2.2064 -2.1915 -2.1915 -1.3178 -1.3178 -0.5423 -0.5423 -0.2337 -0.2337 -0.1387 -0.1387 0.1829 0.1829 0.3117 0.3117 0.3364 0.3364 0.4637 0.4637 4.9379 4.9379 5.0125 5.0125 5.7086 5.7086 6.6704 6.6704 k = 0.0000 0.3202 0.1676 ( 22550 PWs) bands (ev): -43.2630 -43.2630 -43.2630 -43.2630 -43.2628 -43.2628 -43.2628 -43.2628 -11.0681 -11.0681 -11.0163 -11.0163 -10.9886 -10.9886 -10.8290 -10.8290 -3.7941 -3.7941 -2.8327 -2.8327 -2.2065 -2.2065 -2.1929 -2.1929 -1.2755 -1.2755 -0.5848 -0.5848 -0.2256 -0.2256 -0.1424 -0.1424 0.1816 0.1816 0.3001 0.3001 0.3432 0.3432 0.4561 0.4561 4.9427 4.9427 5.0089 5.0089 5.8300 5.8300 6.7010 6.7010 k = 0.0000 0.3202 0.1795 ( 22564 PWs) bands (ev): -43.2630 -43.2630 -43.2630 -43.2630 -43.2629 -43.2629 -43.2628 -43.2628 -11.0630 -11.0630 -11.0046 -11.0046 -10.9939 -10.9939 -10.8421 -10.8421 -3.7368 -3.7368 -2.9047 -2.9047 -2.2064 -2.2064 -2.1943 -2.1943 -1.2312 -1.2312 -0.6301 -0.6301 -0.2178 -0.2178 -0.1463 -0.1463 0.1823 0.1823 0.2883 0.2883 0.3503 0.3503 0.4483 0.4483 4.9476 4.9476 5.0051 5.0051 5.9551 5.9551 6.7351 6.7351 k = 0.0000 0.3202 0.1915 ( 22566 PWs) bands (ev): -43.2630 -43.2630 -43.2629 -43.2629 -43.2629 -43.2629 -43.2628 -43.2628 -11.0576 -11.0576 -10.9995 -10.9995 -10.9923 -10.9923 -10.8555 -10.8555 -3.6768 -3.6768 -2.9776 -2.9776 -2.2062 -2.2062 -2.1958 -2.1958 -1.1849 -1.1849 -0.6776 -0.6776 -0.2102 -0.2102 -0.1506 -0.1506 0.1849 0.1849 0.2764 0.2764 0.3578 0.3578 0.4403 0.4403 4.9526 4.9526 5.0010 5.0010 6.0823 6.0823 6.7737 6.7737 k = 0.0000 0.3202 0.2035 ( 22562 PWs) bands (ev): -43.2630 -43.2630 -43.2629 -43.2629 -43.2629 -43.2629 -43.2628 -43.2628 -11.0521 -11.0521 -11.0052 -11.0052 -10.9796 -10.9796 -10.8693 -10.8693 -3.6142 -3.6142 -3.0511 -3.0511 -2.2057 -2.2057 -2.1972 -2.1972 -1.1370 -1.1370 -0.7270 -0.7270 -0.2029 -0.2029 -0.1552 -0.1552 0.1893 0.1893 0.2646 0.2646 0.3655 0.3655 0.4320 0.4320 4.9576 4.9576 4.9966 4.9966 6.2095 6.2095 6.8181 6.8181 k = 0.0000 0.3202 0.2154 ( 22558 PWs) bands (ev): -43.2630 -43.2630 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0464 -11.0464 -11.0110 -11.0110 -10.9665 -10.9665 -10.8832 -10.8832 -3.5492 -3.5492 -3.1247 -3.1247 -2.2051 -2.2051 -2.1986 -2.1986 -1.0877 -1.0877 -0.7778 -0.7778 -0.1958 -0.1958 -0.1601 -0.1601 0.1953 0.1953 0.2529 0.2529 0.3734 0.3734 0.4237 0.4237 4.9626 4.9626 4.9921 4.9921 6.3336 6.3336 6.8361 6.8361 k = 0.0000 0.3202 0.2274 ( 22560 PWs) bands (ev): -43.2630 -43.2630 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0406 -11.0406 -11.0169 -11.0169 -10.9531 -10.9531 -10.8973 -10.8973 -3.4821 -3.4821 -3.1981 -3.1981 -2.2043 -2.2043 -2.1999 -2.1999 -1.0372 -1.0372 -0.8295 -0.8295 -0.1891 -0.1891 -0.1652 -0.1652 0.2026 0.2026 0.2416 0.2416 0.3816 0.3816 0.4152 0.4152 4.9677 4.9677 4.9874 4.9874 6.4506 6.4506 6.7830 6.7830 k = 0.0000 0.3202 0.2394 ( 22560 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0347 -11.0347 -11.0228 -11.0228 -10.9393 -10.9393 -10.9114 -10.9114 -3.4131 -3.4131 -3.2708 -3.2708 -2.2034 -2.2034 -2.2011 -2.2011 -0.9859 -0.9859 -0.8816 -0.8816 -0.1826 -0.1826 -0.1707 -0.1707 0.2110 0.2110 0.2307 0.2307 0.3899 0.3899 0.4067 0.4067 4.9727 4.9727 4.9826 4.9826 6.5559 6.5559 6.7207 6.7207 k = 0.0000 0.3202 0.2513 ( 22572 PWs) bands (ev): -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -43.2629 -11.0288 -11.0288 -11.0288 -11.0288 -10.9254 -10.9254 -10.9254 -10.9254 -3.3426 -3.3426 -3.3426 -3.3426 -2.2023 -2.2023 -2.2023 -2.2023 -0.9339 -0.9339 -0.9339 -0.9339 -0.1765 -0.1765 -0.1765 -0.1765 0.2205 0.2205 0.2205 0.2205 0.3983 0.3983 0.3983 0.3983 4.9777 4.9777 4.9777 4.9777 6.6459 6.6459 6.6459 6.6459 k = 0.5000-0.0000 0.2513 ( 22620 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8062 -10.8062 -10.8062 -10.8062 -10.6462 -10.6462 -10.6462 -10.6462 -4.0473 -4.0473 -4.0473 -4.0473 -3.0322 -3.0322 -3.0322 -3.0322 -1.1847 -1.1847 -1.1847 -1.1847 -0.3131 -0.3131 -0.3131 -0.3131 -0.2262 -0.2262 -0.2262 -0.2262 0.0919 0.0919 0.0919 0.0919 6.0563 6.0563 6.0563 6.0563 6.4506 6.4506 6.4506 6.4506 k = 0.5000-0.0000 0.2394 ( 22624 PWs) bands (ev): -43.2657 -43.2657 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8177 -10.8177 -10.7950 -10.7950 -10.6487 -10.6487 -10.6433 -10.6433 -4.0488 -4.0488 -4.0464 -4.0464 -3.0912 -3.0912 -2.9714 -2.9714 -1.1977 -1.1977 -1.1719 -1.1719 -0.3619 -0.3619 -0.2639 -0.2639 -0.2405 -0.2405 -0.2110 -0.2110 0.0916 0.0916 0.0923 0.0923 5.9995 5.9995 6.1088 6.1088 6.3602 6.3602 6.5490 6.5490 k = 0.5000-0.0000 0.2274 ( 22652 PWs) bands (ev): -43.2658 -43.2658 -43.2657 -43.2657 -43.2595 -43.2595 -43.2595 -43.2595 -10.8293 -10.8293 -10.7843 -10.7843 -10.6505 -10.6505 -10.6401 -10.6401 -4.0512 -4.0512 -4.0460 -4.0460 -3.1482 -3.1482 -2.9093 -2.9093 -1.2109 -1.2109 -1.1596 -1.1596 -0.4094 -0.4094 -0.2546 -0.2546 -0.2173 -0.2173 -0.1920 -0.1920 0.0912 0.0912 0.0925 0.0925 5.9424 5.9424 6.1409 6.1409 6.2927 6.2927 6.6519 6.6519 k = 0.5000-0.0000 0.2154 ( 22636 PWs) bands (ev): -43.2658 -43.2658 -43.2657 -43.2657 -43.2595 -43.2595 -43.2594 -43.2594 -10.8410 -10.8410 -10.7743 -10.7743 -10.6517 -10.6517 -10.6366 -10.6366 -4.0544 -4.0544 -4.0461 -4.0461 -3.2026 -3.2026 -2.8463 -2.8463 -1.2240 -1.2240 -1.1479 -1.1479 -0.4551 -0.4551 -0.2681 -0.2681 -0.1895 -0.1895 -0.1540 -0.1540 0.0908 0.0908 0.0928 0.0928 5.8864 5.8864 6.1114 6.1114 6.2874 6.2874 6.7583 6.7583 k = 0.5000-0.0000 0.2035 ( 22632 PWs) bands (ev): -43.2658 -43.2658 -43.2657 -43.2657 -43.2595 -43.2595 -43.2594 -43.2594 -10.8525 -10.8525 -10.7653 -10.7653 -10.6519 -10.6519 -10.6331 -10.6331 -4.0586 -4.0586 -4.0465 -4.0465 -3.2542 -3.2542 -2.7827 -2.7827 -1.2370 -1.2370 -1.1370 -1.1370 -0.4987 -0.4987 -0.2812 -0.2812 -0.1730 -0.1730 -0.1045 -0.1045 0.0904 0.0904 0.0930 0.0930 5.8323 5.8323 6.0391 6.0391 6.3206 6.3206 6.8504 6.8504 k = 0.5000-0.0000 0.1915 ( 22630 PWs) bands (ev): -43.2658 -43.2658 -43.2657 -43.2657 -43.2595 -43.2595 -43.2594 -43.2594 -10.8639 -10.8639 -10.7575 -10.7575 -10.6510 -10.6510 -10.6294 -10.6294 -4.0639 -4.0639 -4.0472 -4.0472 -3.3027 -3.3027 -2.7192 -2.7192 -1.2497 -1.2497 -1.1272 -1.1272 -0.5397 -0.5397 -0.2939 -0.2939 -0.1581 -0.1581 -0.0540 -0.0540 0.0903 0.0903 0.0931 0.0931 5.7806 5.7806 5.9590 5.9590 6.3460 6.3460 6.7434 6.7434 k = 0.5000-0.0000 0.1795 ( 22620 PWs) bands (ev): -43.2658 -43.2658 -43.2656 -43.2656 -43.2595 -43.2595 -43.2594 -43.2594 -10.8749 -10.8749 -10.7511 -10.7511 -10.6488 -10.6488 -10.6258 -10.6258 -4.0704 -4.0704 -4.0482 -4.0482 -3.3477 -3.3477 -2.6560 -2.6560 -1.2621 -1.2621 -1.1187 -1.1187 -0.5779 -0.5779 -0.3061 -0.3061 -0.1438 -0.1438 -0.0045 -0.0045 0.0908 0.0908 0.0933 0.0933 5.7316 5.7316 5.8791 5.8791 6.3325 6.3325 6.6837 6.6837 k = 0.5000-0.0000 0.1676 ( 22622 PWs) bands (ev): -43.2658 -43.2658 -43.2656 -43.2656 -43.2596 -43.2596 -43.2594 -43.2594 -10.8855 -10.8855 -10.7462 -10.7462 -10.6454 -10.6454 -10.6222 -10.6222 -4.0781 -4.0781 -4.0493 -4.0493 -3.3891 -3.3891 -2.5936 -2.5936 -1.2741 -1.2741 -1.1117 -1.1117 -0.6129 -0.6129 -0.3177 -0.3177 -0.1299 -0.1299 0.0412 0.0412 0.0931 0.0931 0.0945 0.0945 5.6857 5.6857 5.8012 5.8012 6.2672 6.2672 6.6839 6.6839 k = 0.5000-0.0000 0.1556 ( 22620 PWs) bands (ev): -43.2658 -43.2658 -43.2656 -43.2656 -43.2596 -43.2596 -43.2594 -43.2594 -10.8957 -10.8957 -10.7427 -10.7427 -10.6407 -10.6407 -10.6186 -10.6186 -4.0869 -4.0869 -4.0504 -4.0504 -3.4266 -3.4266 -2.5326 -2.5326 -1.2855 -1.2855 -1.1065 -1.1065 -0.6444 -0.6444 -0.3287 -0.3287 -0.1163 -0.1163 0.0704 0.0704 0.0934 0.0934 0.1130 0.1130 5.6429 5.6429 5.7261 5.7261 6.1728 6.1728 6.7207 6.7207 k = 0.5000-0.0000 0.1436 ( 22624 PWs) bands (ev): -43.2658 -43.2658 -43.2656 -43.2656 -43.2596 -43.2596 -43.2594 -43.2594 -10.9053 -10.9053 -10.7405 -10.7405 -10.6351 -10.6351 -10.6152 -10.6152 -4.0969 -4.0969 -4.0517 -4.0517 -3.4603 -3.4603 -2.4733 -2.4733 -1.2964 -1.2964 -1.1033 -1.1033 -0.6721 -0.6721 -0.3391 -0.3391 -0.1031 -0.1031 0.0770 0.0770 0.0935 0.0935 0.1526 0.1526 5.6034 5.6034 5.6539 5.6539 6.0710 6.0710 6.7723 6.7723 k = 0.5000-0.0000 0.1317 ( 22614 PWs) bands (ev): -43.2658 -43.2658 -43.2656 -43.2656 -43.2596 -43.2596 -43.2594 -43.2594 -10.9144 -10.9144 -10.7393 -10.7393 -10.6288 -10.6288 -10.6119 -10.6119 -4.1078 -4.1078 -4.0529 -4.0529 -3.4901 -3.4901 -2.4164 -2.4164 -1.3066 -1.3066 -1.1021 -1.1021 -0.6958 -0.6958 -0.3488 -0.3488 -0.0904 -0.0904 0.0776 0.0776 0.0935 0.0935 0.1959 0.1959 5.5673 5.5673 5.5848 5.5848 5.9713 5.9713 6.8293 6.8293 k = 0.5000-0.0000 0.1197 ( 22596 PWs) bands (ev): -43.2658 -43.2658 -43.2656 -43.2656 -43.2596 -43.2596 -43.2594 -43.2594 -10.9229 -10.9229 -10.7389 -10.7389 -10.6222 -10.6222 -10.6088 -10.6088 -4.1194 -4.1194 -4.0541 -4.0541 -3.5161 -3.5161 -2.3622 -2.3622 -1.3160 -1.3160 -1.1030 -1.1030 -0.7156 -0.7156 -0.3578 -0.3578 -0.0782 -0.0782 0.0768 0.0768 0.0935 0.0935 0.2382 0.2382 5.5186 5.5186 5.5347 5.5347 5.8778 5.8778 6.8875 6.8875 k = 0.5000-0.0000 0.1077 ( 22600 PWs) bands (ev): -43.2659 -43.2659 -43.2656 -43.2656 -43.2596 -43.2596 -43.2594 -43.2594 -10.9306 -10.9306 -10.7390 -10.7390 -10.6155 -10.6155 -10.6060 -10.6060 -4.1314 -4.1314 -4.0553 -4.0553 -3.5385 -3.5385 -2.3113 -2.3113 -1.3248 -1.3248 -1.1058 -1.1058 -0.7316 -0.7316 -0.3661 -0.3661 -0.0666 -0.0666 0.0753 0.0753 0.0936 0.0936 0.2782 0.2782 5.4557 5.4557 5.5055 5.5055 5.7926 5.7926 6.9446 6.9446 k = 0.5000-0.0000 0.0958 ( 22600 PWs) bands (ev): -43.2659 -43.2659 -43.2656 -43.2656 -43.2596 -43.2596 -43.2594 -43.2594 -10.9377 -10.9377 -10.7395 -10.7395 -10.6090 -10.6090 -10.6033 -10.6033 -4.1435 -4.1435 -4.0564 -4.0564 -3.5575 -3.5575 -2.2642 -2.2642 -1.3327 -1.3327 -1.1102 -1.1102 -0.7441 -0.7441 -0.3736 -0.3736 -0.0557 -0.0557 0.0735 0.0735 0.0936 0.0936 0.3152 0.3152 5.3961 5.3961 5.4798 5.4798 5.7168 5.7168 6.9992 6.9992 k = 0.5000-0.0000 0.0838 ( 22598 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9440 -10.9440 -10.7401 -10.7401 -10.6029 -10.6029 -10.6009 -10.6009 -4.1552 -4.1552 -4.0574 -4.0574 -3.5733 -3.5733 -2.2213 -2.2213 -1.3398 -1.3398 -1.1156 -1.1156 -0.7535 -0.7535 -0.3802 -0.3802 -0.0455 -0.0455 0.0715 0.0715 0.0936 0.0936 0.3490 0.3490 5.3405 5.3405 5.4574 5.4574 5.6509 5.6509 7.0502 7.0502 k = 0.5000-0.0000 0.0718 ( 22586 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9495 -10.9495 -10.7409 -10.7409 -10.5988 -10.5988 -10.5973 -10.5973 -4.1663 -4.1663 -4.0583 -4.0583 -3.5864 -3.5864 -2.1830 -2.1830 -1.3460 -1.3460 -1.1217 -1.1217 -0.7603 -0.7603 -0.3861 -0.3861 -0.0361 -0.0361 0.0693 0.0693 0.0936 0.0936 0.3790 0.3790 5.2897 5.2897 5.4384 5.4384 5.5949 5.5949 7.0965 7.0965 k = 0.5000-0.0000 0.0598 ( 22604 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9543 -10.9543 -10.7416 -10.7416 -10.5970 -10.5970 -10.5924 -10.5924 -4.1764 -4.1764 -4.0590 -4.0590 -3.5969 -3.5969 -2.1499 -2.1499 -1.3513 -1.3513 -1.1278 -1.1278 -0.7651 -0.7651 -0.3910 -0.3910 -0.0277 -0.0277 0.0669 0.0669 0.0935 0.0935 0.4049 0.4049 5.2445 5.2445 5.4226 5.4226 5.5486 5.5486 7.1373 7.1373 k = 0.5000-0.0000 0.0479 ( 22616 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9582 -10.9582 -10.7423 -10.7423 -10.5955 -10.5955 -10.5883 -10.5883 -4.1851 -4.1851 -4.0597 -4.0597 -3.6051 -3.6051 -2.1222 -2.1222 -1.3556 -1.3556 -1.1335 -1.1335 -0.7683 -0.7683 -0.3951 -0.3951 -0.0203 -0.0203 0.0646 0.0646 0.0935 0.0935 0.4266 0.4266 5.2060 5.2060 5.4098 5.4098 5.5115 5.5115 7.1600 7.1718 k = 0.5000-0.0000 0.0359 ( 22634 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9612 -10.9612 -10.7429 -10.7429 -10.5943 -10.5943 -10.5850 -10.5850 -4.1921 -4.1921 -4.0602 -4.0602 -3.6113 -3.6113 -2.1003 -2.1003 -1.3591 -1.3591 -1.1383 -1.1383 -0.7704 -0.7704 -0.3983 -0.3983 -0.0142 -0.0142 0.0625 0.0625 0.0935 0.0935 0.4437 0.4437 5.1750 5.1750 5.4000 5.4000 5.4832 5.4832 7.1460 7.1994 k = 0.5000-0.0000 0.0239 ( 22658 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9634 -10.9634 -10.7434 -10.7434 -10.5935 -10.5935 -10.5826 -10.5826 -4.1973 -4.1973 -4.0605 -4.0605 -3.6156 -3.6156 -2.0845 -2.0845 -1.3615 -1.3615 -1.1420 -1.1420 -0.7717 -0.7717 -0.4006 -0.4006 -0.0096 -0.0096 0.0607 0.0607 0.0935 0.0935 0.4560 0.4560 5.1522 5.1522 5.3932 5.3932 5.4633 5.4633 7.1360 7.1360 k = 0.5000-0.0000 0.0120 ( 22660 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9647 -10.9647 -10.7436 -10.7436 -10.5930 -10.5930 -10.5811 -10.5811 -4.2005 -4.2005 -4.0607 -4.0607 -3.6181 -3.6181 -2.0749 -2.0749 -1.3630 -1.3630 -1.1443 -1.1443 -0.7723 -0.7723 -0.4020 -0.4020 -0.0067 -0.0067 0.0595 0.0595 0.0935 0.0935 0.4635 0.4635 5.1384 5.1384 5.3891 5.3891 5.4515 5.4515 7.1299 7.1299 k = 0.5000-0.0000-0.0000 ( 22648 PWs) bands (ev): -43.2659 -43.2659 -43.2655 -43.2655 -43.2596 -43.2596 -43.2593 -43.2593 -10.9652 -10.9652 -10.7437 -10.7437 -10.5928 -10.5928 -10.5806 -10.5806 -4.2016 -4.2016 -4.0608 -4.0608 -3.6189 -3.6189 -2.0717 -2.0717 -1.3635 -1.3635 -1.1451 -1.1451 -0.7725 -0.7725 -0.4024 -0.4024 -0.0056 -0.0056 0.0591 0.0591 0.0935 0.0935 0.4660 0.4660 5.1338 5.1338 5.3877 5.3877 5.4475 5.4475 7.1279 7.1279 k = 0.5000 0.3202-0.0000 ( 22628 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9416 -10.9416 -10.7373 -10.7373 -10.6126 -10.6126 -10.5828 -10.5828 -4.1445 -4.1445 -3.9490 -3.9490 -3.9060 -3.9060 -2.0701 -2.0701 -1.5958 -1.5958 -0.9801 -0.9801 -0.9722 -0.9722 -0.1589 -0.1589 -0.1166 -0.1166 -0.0949 -0.0949 0.3864 0.3864 0.5469 0.5469 5.1496 5.1496 6.3974 6.3974 6.6183 6.6183 7.0753 7.0753 k = 0.5000 0.3202 0.0120 ( 22612 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9411 -10.9411 -10.7371 -10.7371 -10.6128 -10.6128 -10.5834 -10.5834 -4.1442 -4.1442 -3.9494 -3.9494 -3.9039 -3.9039 -2.0734 -2.0734 -1.5952 -1.5952 -0.9791 -0.9791 -0.9730 -0.9730 -0.1589 -0.1589 -0.1152 -0.1152 -0.0949 -0.0949 0.3859 0.3859 0.5443 0.5443 5.1552 5.1552 6.3992 6.3992 6.6190 6.6190 7.0765 7.0765 k = 0.5000 0.3202 0.0239 ( 22616 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9398 -10.9398 -10.7366 -10.7366 -10.6133 -10.6133 -10.5851 -10.5851 -4.1436 -4.1436 -3.9503 -3.9503 -3.8975 -3.8975 -2.0834 -2.0834 -1.5934 -1.5934 -0.9802 -0.9802 -0.9712 -0.9712 -0.1587 -0.1587 -0.1112 -0.1112 -0.0948 -0.0948 0.3845 0.3845 0.5367 0.5367 5.1720 5.1720 6.4047 6.4047 6.6212 6.6212 7.0801 7.0801 k = 0.5000 0.3202 0.0359 ( 22620 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9375 -10.9375 -10.7358 -10.7358 -10.6142 -10.6142 -10.5879 -10.5879 -4.1425 -4.1425 -3.9520 -3.9520 -3.8868 -3.8868 -2.0998 -2.0998 -1.5904 -1.5904 -0.9867 -0.9867 -0.9633 -0.9633 -0.1584 -0.1584 -0.1047 -0.1047 -0.0946 -0.0946 0.3821 0.3821 0.5240 0.5240 5.2000 5.2000 6.4139 6.4139 6.6252 6.6252 7.0859 7.0859 k = 0.5000 0.3202 0.0479 ( 22604 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9344 -10.9344 -10.7346 -10.7346 -10.6155 -10.6155 -10.5918 -10.5918 -4.1410 -4.1410 -3.9543 -3.9543 -3.8720 -3.8720 -2.1225 -2.1225 -1.5862 -1.5862 -0.9964 -0.9964 -0.9517 -0.9517 -0.1581 -0.1581 -0.0958 -0.0958 -0.0944 -0.0944 0.3786 0.3786 0.5066 0.5066 5.2387 5.2387 6.4267 6.4267 6.6312 6.6312 7.0942 7.0942 k = 0.5000 0.3202 0.0598 ( 22608 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9304 -10.9304 -10.7331 -10.7331 -10.6170 -10.6170 -10.5967 -10.5967 -4.1391 -4.1391 -3.9572 -3.9572 -3.8530 -3.8530 -2.1512 -2.1512 -1.5807 -1.5807 -1.0086 -1.0086 -0.9366 -0.9366 -0.1577 -0.1577 -0.0942 -0.0942 -0.0848 -0.0848 0.3740 0.3740 0.4847 0.4847 5.2880 5.2880 6.4432 6.4432 6.6395 6.6395 7.1049 7.1049 k = 0.5000 0.3202 0.0718 ( 22620 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9256 -10.9256 -10.7313 -10.7313 -10.6190 -10.6190 -10.6027 -10.6027 -4.1367 -4.1367 -3.9606 -3.9606 -3.8299 -3.8299 -2.1856 -2.1856 -1.5741 -1.5741 -1.0230 -1.0230 -0.9183 -0.9183 -0.1572 -0.1572 -0.0938 -0.0938 -0.0718 -0.0718 0.3681 0.3681 0.4588 0.4588 5.3475 5.3475 6.4633 6.4633 6.6507 6.6507 7.1179 7.1179 k = 0.5000 0.3202 0.0838 ( 22608 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9199 -10.9199 -10.7292 -10.7292 -10.6212 -10.6212 -10.6096 -10.6096 -4.1339 -4.1339 -3.9647 -3.9647 -3.8029 -3.8029 -2.2253 -2.2253 -1.5663 -1.5663 -1.0394 -1.0394 -0.8968 -0.8968 -0.1569 -0.1569 -0.0935 -0.0935 -0.0572 -0.0572 0.3603 0.3603 0.4300 0.4300 5.4165 5.4165 6.4873 6.4873 6.6650 6.6650 7.1334 7.1334 k = 0.5000 0.3202 0.0958 ( 22604 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9134 -10.9134 -10.7268 -10.7268 -10.6238 -10.6238 -10.6175 -10.6175 -4.1307 -4.1307 -3.9693 -3.9693 -3.7719 -3.7719 -2.2700 -2.2700 -1.5573 -1.5573 -1.0574 -1.0574 -0.8721 -0.8721 -0.1566 -0.1566 -0.0931 -0.0931 -0.0412 -0.0412 0.3488 0.3488 0.4001 0.4001 5.4947 5.4947 6.5150 6.5150 6.6827 6.6827 7.1514 7.1514 k = 0.5000 0.3202 0.1077 ( 22612 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.9061 -10.9061 -10.7241 -10.7241 -10.6266 -10.6266 -10.6262 -10.6262 -4.1271 -4.1271 -3.9743 -3.9743 -3.7372 -3.7372 -2.3190 -2.3190 -1.5472 -1.5472 -1.0769 -1.0769 -0.8445 -0.8445 -0.1566 -0.1566 -0.0926 -0.0926 -0.0240 -0.0240 0.3292 0.3292 0.3742 0.3742 5.5814 5.5814 6.5465 6.5465 6.7041 6.7041 7.1719 7.1719 k = 0.5000 0.3202 0.1197 ( 22616 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.8981 -10.8981 -10.7211 -10.7211 -10.6357 -10.6357 -10.6297 -10.6297 -4.1231 -4.1231 -3.9799 -3.9799 -3.6988 -3.6988 -2.3721 -2.3721 -1.5360 -1.5360 -1.0975 -1.0975 -0.8140 -0.8140 -0.1570 -0.1570 -0.0921 -0.0921 -0.0059 -0.0059 0.2977 0.2977 0.3566 0.3566 5.6758 5.6758 6.5819 6.5819 6.7293 6.7293 7.1950 7.1950 k = 0.5000 0.3202 0.1317 ( 22616 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2624 -43.2624 -10.8893 -10.8893 -10.7179 -10.7179 -10.6460 -10.6460 -10.6331 -10.6331 -4.1187 -4.1187 -3.9858 -3.9858 -3.6569 -3.6569 -2.4286 -2.4286 -1.5236 -1.5236 -1.1190 -1.1190 -0.7808 -0.7808 -0.1579 -0.1579 -0.0915 -0.0915 0.0128 0.0128 0.2584 0.2584 0.3436 0.3436 5.7773 5.7773 6.6214 6.6214 6.7584 6.7584 7.2208 7.2208 k = 0.5000 0.3202 0.1436 ( 22624 PWs) bands (ev): -43.2628 -43.2628 -43.2627 -43.2627 -43.2625 -43.2625 -43.2625 -43.2625 -10.8799 -10.8799 -10.7145 -10.7145 -10.6569 -10.6569 -10.6367 -10.6367 -4.1139 -4.1139 -3.9921 -3.9921 -3.6116 -3.6116 -2.4881 -2.4881 -1.5102 -1.5102 -1.1413 -1.1413 -0.7449 -0.7449 -0.1595 -0.1595 -0.0908 -0.0908 0.0320 0.0320 0.2154 0.2154 0.3318 0.3318 5.8851 5.8851 6.6652 6.6652 6.7916 6.7916 7.2493 7.2493 k = 0.5000 0.3202 0.1556 ( 22596 PWs) bands (ev): -43.2627 -43.2627 -43.2626 -43.2626 -43.2625 -43.2625 -43.2625 -43.2625 -10.8698 -10.8698 -10.7108 -10.7108 -10.6684 -10.6684 -10.6405 -10.6405 -4.1088 -4.1088 -3.9987 -3.9987 -3.5632 -3.5632 -2.5502 -2.5502 -1.4957 -1.4957 -1.1641 -1.1641 -0.7066 -0.7066 -0.1624 -0.1624 -0.0900 -0.0900 0.0516 0.0516 0.1707 0.1707 0.3200 0.3200 5.9980 5.9980 6.7133 6.7133 6.8289 6.8289 7.2807 7.2807 k = 0.5000 0.3202 0.1676 ( 22600 PWs) bands (ev): -43.2627 -43.2627 -43.2626 -43.2626 -43.2625 -43.2625 -43.2625 -43.2625 -10.8591 -10.8591 -10.7069 -10.7069 -10.6804 -10.6804 -10.6445 -10.6445 -4.1033 -4.1033 -4.0056 -4.0056 -3.5118 -3.5118 -2.6144 -2.6144 -1.4802 -1.4802 -1.1872 -1.1872 -0.6661 -0.6661 -0.1671 -0.1671 -0.0891 -0.0891 0.0711 0.0711 0.1258 0.1258 0.3077 0.3077 6.1150 6.1150 6.7663 6.7663 6.8702 6.8702 7.3153 7.3153 k = 0.5000 0.3202 0.1795 ( 22596 PWs) bands (ev): -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -43.2625 -43.2625 -10.8479 -10.8479 -10.7028 -10.7028 -10.6929 -10.6929 -10.6487 -10.6487 -4.0974 -4.0974 -4.0127 -4.0127 -3.4576 -3.4576 -2.6802 -2.6802 -1.4638 -1.4638 -1.2106 -1.2106 -0.6235 -0.6235 -0.1746 -0.1746 -0.0880 -0.0880 0.0802 0.0802 0.0925 0.0925 0.2949 0.2949 6.2347 6.2347 6.8245 6.8245 6.9157 6.9157 7.3532 7.3532 k = 0.5000 0.3202 0.1915 ( 22600 PWs) bands (ev): -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -43.2625 -43.2625 -10.8362 -10.8362 -10.7057 -10.7057 -10.6986 -10.6986 -10.6531 -10.6531 -4.0913 -4.0913 -4.0199 -4.0199 -3.4008 -3.4008 -2.7472 -2.7472 -1.4464 -1.4464 -1.2339 -1.2339 -0.5792 -0.5792 -0.1863 -0.1863 -0.0867 -0.0867 0.0405 0.0405 0.1109 0.1109 0.2813 0.2813 6.3555 6.3555 6.8885 6.8885 6.9651 6.9651 7.3524 7.3524 k = 0.5000 0.3202 0.2035 ( 22612 PWs) bands (ev): -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -43.2625 -43.2625 -10.8240 -10.8240 -10.7188 -10.7188 -10.6943 -10.6943 -10.6575 -10.6575 -4.0849 -4.0849 -4.0273 -4.0273 -3.3416 -3.3416 -2.8150 -2.8150 -1.4281 -1.4281 -1.2572 -1.2572 -0.5334 -0.5334 -0.2039 -0.2039 -0.0849 -0.0849 0.0049 0.0049 0.1301 0.1301 0.2671 0.2671 6.4755 6.4755 6.9589 6.9589 7.0185 7.0185 7.2680 7.2680 k = 0.5000 0.3202 0.2154 ( 22608 PWs) bands (ev): -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -43.2625 -43.2625 -10.8115 -10.8115 -10.7321 -10.7321 -10.6898 -10.6898 -10.6620 -10.6620 -4.0782 -4.0782 -4.0347 -4.0347 -3.2803 -3.2803 -2.8831 -2.8831 -1.4090 -1.4090 -1.2803 -1.2803 -0.4866 -0.4866 -0.2292 -0.2292 -0.0826 -0.0826 -0.0237 -0.0237 0.1491 0.1491 0.2522 0.2522 6.5927 6.5927 7.0363 7.0363 7.0758 7.0758 7.1826 7.1826 k = 0.5000 0.3202 0.2274 ( 22608 PWs) bands (ev): -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -43.2625 -43.2625 -10.7987 -10.7987 -10.7455 -10.7455 -10.6852 -10.6852 -10.6667 -10.6667 -4.0713 -4.0713 -4.0422 -4.0422 -3.2171 -3.2171 -2.9513 -2.9513 -1.3891 -1.3891 -1.3031 -1.3031 -0.4392 -0.4392 -0.2623 -0.2623 -0.0795 -0.0795 -0.0446 -0.0446 0.1676 0.1676 0.2365 0.2365 6.7050 6.7050 7.0950 7.0950 7.1206 7.1206 7.1370 7.1370 k = 0.5000 0.3202 0.2394 ( 22616 PWs) bands (ev): -43.2627 -43.2627 -43.2626 -43.2626 -43.2626 -43.2626 -43.2625 -43.2625 -10.7856 -10.7856 -10.7589 -10.7589 -10.6806 -10.6806 -10.6713 -10.6713 -4.0642 -4.0642 -4.0496 -4.0496 -3.1523 -3.1523 -3.0191 -3.0191 -1.3685 -1.3685 -1.3254 -1.3254 -0.3919 -0.3919 -0.3018 -0.3018 -0.0750 -0.0750 -0.0589 -0.0589 0.1857 0.1857 0.2202 0.2202 6.8112 6.8112 7.0053 7.0053 7.2012 7.2012 7.2102 7.2102 k = 0.5000 0.3202 0.2513 ( 22608 PWs) bands (ev): -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -43.2626 -10.7723 -10.7723 -10.7723 -10.7723 -10.6760 -10.6760 -10.6760 -10.6760 -4.0570 -4.0570 -4.0570 -4.0570 -3.0862 -3.0862 -3.0862 -3.0862 -1.3472 -1.3472 -1.3472 -1.3472 -0.3456 -0.3456 -0.3456 -0.3456 -0.0685 -0.0685 -0.0685 -0.0685 0.2033 0.2033 0.2033 0.2033 6.9110 6.9110 6.9110 6.9110 7.2688 7.2688 7.2688 7.2689 Writing output data file LiHS.save init_run : 1.10s CPU 0.71s WALL ( 1 calls) electrons : 674.52s CPU 528.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 674.51s CPU 528.49s 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 : 0.36s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 1.00s CPU 0.99s WALL ( 360 calls) cegterg : 514.85s CPU 433.18s WALL ( 634 calls) Called by sum_band: Called by *egterg: h_psi : 452.77s CPU 323.38s WALL ( 9583 calls) s_psi : 27.07s CPU 22.58s WALL ( 9583 calls) g_psi : 1.38s CPU 1.33s WALL ( 8589 calls) cdiaghg : 69.70s CPU 67.96s WALL ( 8949 calls) cegterg:over : 27.61s CPU 27.55s WALL ( 8589 calls) cegterg:upda : 31.93s CPU 32.48s WALL ( 8589 calls) cegterg:last : 15.76s CPU 15.73s WALL ( 1407 calls) cdiaghg:chol : 4.01s CPU 4.02s WALL ( 8949 calls) cdiaghg:inve : 2.34s CPU 2.49s WALL ( 8949 calls) cdiaghg:para : 3.78s CPU 3.86s WALL ( 17898 calls) Called by h_psi: h_psi:vloc : 391.71s CPU 271.41s WALL ( 9583 calls) h_psi:vnl : 59.22s CPU 50.41s WALL ( 9583 calls) add_vuspsi : 29.39s CPU 24.83s WALL ( 9583 calls) General routines calbec : 29.77s CPU 25.54s WALL ( 9583 calls) fft : 0.02s CPU 0.02s WALL ( 15 calls) fftw : 373.92s CPU 256.08s WALL ( 887452 calls) davcio : 0.76s CPU 10.51s WALL ( 720 calls) Parallel routines fft_scatter : 114.44s CPU 95.18s WALL ( 887467 calls) PWSCF : 12m38.61s CPU 10m41.24s WALL This run was terminated on: 4:12:22 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=