Program PWSCF v.5.1.1 starts on 15Oct2015 at 1:58:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./CaBiAu.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 45 19 5 2595 734 111 Max 46 20 6 2604 756 124 Sum 2173 955 271 124681 35667 5581 bravais-lattice index = 14 lattice parameter (alat) = 8.6308 a.u. unit-cell volume = 845.5515 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.630794 celldm(2)= 1.000000 celldm(3)= 1.518648 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.518648 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.658480 ) PseudoPot. # 1 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /home/autes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Bi 5.00 208.98040 Bi( 1.00) Ca 10.00 40.07800 Ca( 1.00) Au 11.00 196.96660 Au( 1.00) 12 Sym. Ops. (no inversion) found ( 6 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 ) ( -0.7593241 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7593241 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7593241 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7593241 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7593241 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7593241 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 296 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0033784 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0033784 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0033784 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0033784 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0033784 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0033784 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0033784 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0033784 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0033784 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0033784 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0033784 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0033784 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0033784 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0033784 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0033784 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0033784 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0033784 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0033784 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033784 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0033784 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0033784 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0033784 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0033784 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0033784 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0033784 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0033784 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0033784 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0033784 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0033784 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0033784 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0033784 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0033784 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0033784 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0033784 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0033784 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0033784 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0033784 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0033784 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0033784 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0033784 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0033784 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0033784 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0033784 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0033784 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0033784 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0033784 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0033784 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0033784 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0033784 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0033784 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0033784 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0033784 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0033784 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0033784 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0033784 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0033784 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0033784 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0033784 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0033784 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0033784 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0033784 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0033784 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0033784 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0033784 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0033784 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0033784 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0033784 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0033784 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0033784 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0033784 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0033784 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0033784 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0033784 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0033784 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0033784 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0033784 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0033784 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0033784 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0033784 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0033784 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0033784 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0033784 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033784 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0033784 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0033784 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0033784 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0033784 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0033784 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0033784 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0033784 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0033784 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0033784 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0033784 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0033784 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0033784 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0033784 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0033784 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0033784 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0033784 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0033784 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0033784 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0033784 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0033784 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0033784 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0033784 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 114) = ( 0.0000000 0.0000000 0.0143148), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.0286296), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.0429444), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.0572592), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.0715740), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.0858887), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.1002035), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.1145183), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.1288331), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.1431479), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.1574627), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.1717775), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.1860923), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.2004071), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.2147219), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.2290367), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.2433515), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.2576662), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.2719810), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.2862958), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.3006106), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.3149254), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.3292402), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.3292402), wk = 0.0033784 k( 138) = ( 0.0125000 0.0072169 0.3292402), wk = 0.0033784 k( 139) = ( 0.0250000 0.0144338 0.3292402), wk = 0.0033784 k( 140) = ( 0.0375000 0.0216506 0.3292402), wk = 0.0033784 k( 141) = ( 0.0500000 0.0288675 0.3292402), wk = 0.0033784 k( 142) = ( 0.0625000 0.0360844 0.3292402), wk = 0.0033784 k( 143) = ( 0.0750000 0.0433013 0.3292402), wk = 0.0033784 k( 144) = ( 0.0875000 0.0505181 0.3292402), wk = 0.0033784 k( 145) = ( 0.1000000 0.0577350 0.3292402), wk = 0.0033784 k( 146) = ( 0.1125000 0.0649519 0.3292402), wk = 0.0033784 k( 147) = ( 0.1250000 0.0721688 0.3292402), wk = 0.0033784 k( 148) = ( 0.1375000 0.0793857 0.3292402), wk = 0.0033784 k( 149) = ( 0.1500000 0.0866025 0.3292402), wk = 0.0033784 k( 150) = ( 0.1625000 0.0938194 0.3292402), wk = 0.0033784 k( 151) = ( 0.1750000 0.1010363 0.3292402), wk = 0.0033784 k( 152) = ( 0.1875000 0.1082532 0.3292402), wk = 0.0033784 k( 153) = ( 0.2000000 0.1154701 0.3292402), wk = 0.0033784 k( 154) = ( 0.2125000 0.1226869 0.3292402), wk = 0.0033784 k( 155) = ( 0.2250000 0.1299038 0.3292402), wk = 0.0033784 k( 156) = ( 0.2375000 0.1371207 0.3292402), wk = 0.0033784 k( 157) = ( 0.2500000 0.1443376 0.3292402), wk = 0.0033784 k( 158) = ( 0.2625000 0.1515544 0.3292402), wk = 0.0033784 k( 159) = ( 0.2750000 0.1587713 0.3292402), wk = 0.0033784 k( 160) = ( 0.2875000 0.1659882 0.3292402), wk = 0.0033784 k( 161) = ( 0.3000000 0.1732051 0.3292402), wk = 0.0033784 k( 162) = ( 0.3125000 0.1804220 0.3292402), wk = 0.0033784 k( 163) = ( 0.3250000 0.1876388 0.3292402), wk = 0.0033784 k( 164) = ( 0.3375000 0.1948557 0.3292402), wk = 0.0033784 k( 165) = ( 0.3500000 0.2020726 0.3292402), wk = 0.0033784 k( 166) = ( 0.3625000 0.2092895 0.3292402), wk = 0.0033784 k( 167) = ( 0.3750000 0.2165064 0.3292402), wk = 0.0033784 k( 168) = ( 0.3875000 0.2237232 0.3292402), wk = 0.0033784 k( 169) = ( 0.4000000 0.2309401 0.3292402), wk = 0.0033784 k( 170) = ( 0.4125000 0.2381570 0.3292402), wk = 0.0033784 k( 171) = ( 0.4250000 0.2453739 0.3292402), wk = 0.0033784 k( 172) = ( 0.4375000 0.2525907 0.3292402), wk = 0.0033784 k( 173) = ( 0.4500000 0.2598076 0.3292402), wk = 0.0033784 k( 174) = ( 0.4625000 0.2670245 0.3292402), wk = 0.0033784 k( 175) = ( 0.4750000 0.2742414 0.3292402), wk = 0.0033784 k( 176) = ( 0.4875000 0.2814583 0.3292402), wk = 0.0033784 k( 177) = ( 0.5000000 0.2886751 0.3292402), wk = 0.0033784 k( 178) = ( 0.5000000 0.2886751 0.3292402), wk = 0.0033784 k( 179) = ( 0.4927536 0.3012262 0.3292402), wk = 0.0033784 k( 180) = ( 0.4855073 0.3137773 0.3292402), wk = 0.0033784 k( 181) = ( 0.4782609 0.3263284 0.3292402), wk = 0.0033784 k( 182) = ( 0.4710145 0.3388795 0.3292402), wk = 0.0033784 k( 183) = ( 0.4637681 0.3514306 0.3292402), wk = 0.0033784 k( 184) = ( 0.4565217 0.3639817 0.3292402), wk = 0.0033784 k( 185) = ( 0.4492754 0.3765328 0.3292402), wk = 0.0033784 k( 186) = ( 0.4420290 0.3890839 0.3292402), wk = 0.0033784 k( 187) = ( 0.4347826 0.4016350 0.3292402), wk = 0.0033784 k( 188) = ( 0.4275362 0.4141861 0.3292402), wk = 0.0033784 k( 189) = ( 0.4202899 0.4267372 0.3292402), wk = 0.0033784 k( 190) = ( 0.4130435 0.4392882 0.3292402), wk = 0.0033784 k( 191) = ( 0.4057971 0.4518393 0.3292402), wk = 0.0033784 k( 192) = ( 0.3985507 0.4643904 0.3292402), wk = 0.0033784 k( 193) = ( 0.3913044 0.4769415 0.3292402), wk = 0.0033784 k( 194) = ( 0.3840580 0.4894926 0.3292402), wk = 0.0033784 k( 195) = ( 0.3768116 0.5020437 0.3292402), wk = 0.0033784 k( 196) = ( 0.3695652 0.5145948 0.3292402), wk = 0.0033784 k( 197) = ( 0.3623188 0.5271459 0.3292402), wk = 0.0033784 k( 198) = ( 0.3550725 0.5396970 0.3292402), wk = 0.0033784 k( 199) = ( 0.3478261 0.5522481 0.3292402), wk = 0.0033784 k( 200) = ( 0.3405797 0.5647992 0.3292402), wk = 0.0033784 k( 201) = ( 0.3333333 0.5773503 0.3292402), wk = 0.0033784 k( 202) = ( 0.3333333 0.5773503 0.3292402), wk = 0.0033784 k( 203) = ( 0.3260870 0.5647992 0.3292402), wk = 0.0033784 k( 204) = ( 0.3188406 0.5522481 0.3292402), wk = 0.0033784 k( 205) = ( 0.3115942 0.5396970 0.3292402), wk = 0.0033784 k( 206) = ( 0.3043478 0.5271459 0.3292402), wk = 0.0033784 k( 207) = ( 0.2971014 0.5145948 0.3292402), wk = 0.0033784 k( 208) = ( 0.2898551 0.5020437 0.3292402), wk = 0.0033784 k( 209) = ( 0.2826087 0.4894926 0.3292402), wk = 0.0033784 k( 210) = ( 0.2753623 0.4769415 0.3292402), wk = 0.0033784 k( 211) = ( 0.2681159 0.4643904 0.3292402), wk = 0.0033784 k( 212) = ( 0.2608696 0.4518393 0.3292402), wk = 0.0033784 k( 213) = ( 0.2536232 0.4392883 0.3292402), wk = 0.0033784 k( 214) = ( 0.2463768 0.4267372 0.3292402), wk = 0.0033784 k( 215) = ( 0.2391304 0.4141861 0.3292402), wk = 0.0033784 k( 216) = ( 0.2318841 0.4016350 0.3292402), wk = 0.0033784 k( 217) = ( 0.2246377 0.3890839 0.3292402), wk = 0.0033784 k( 218) = ( 0.2173913 0.3765328 0.3292402), wk = 0.0033784 k( 219) = ( 0.2101449 0.3639817 0.3292402), wk = 0.0033784 k( 220) = ( 0.2028986 0.3514306 0.3292402), wk = 0.0033784 k( 221) = ( 0.1956522 0.3388795 0.3292402), wk = 0.0033784 k( 222) = ( 0.1884058 0.3263284 0.3292402), wk = 0.0033784 k( 223) = ( 0.1811594 0.3137773 0.3292402), wk = 0.0033784 k( 224) = ( 0.1739130 0.3012262 0.3292402), wk = 0.0033784 k( 225) = ( 0.1666667 0.2886751 0.3292402), wk = 0.0033784 k( 226) = ( 0.1594203 0.2761240 0.3292402), wk = 0.0033784 k( 227) = ( 0.1521739 0.2635729 0.3292402), wk = 0.0033784 k( 228) = ( 0.1449275 0.2510219 0.3292402), wk = 0.0033784 k( 229) = ( 0.1376812 0.2384708 0.3292402), wk = 0.0033784 k( 230) = ( 0.1304348 0.2259197 0.3292402), wk = 0.0033784 k( 231) = ( 0.1231884 0.2133686 0.3292402), wk = 0.0033784 k( 232) = ( 0.1159420 0.2008175 0.3292402), wk = 0.0033784 k( 233) = ( 0.1086957 0.1882664 0.3292402), wk = 0.0033784 k( 234) = ( 0.1014493 0.1757153 0.3292402), wk = 0.0033784 k( 235) = ( 0.0942029 0.1631642 0.3292402), wk = 0.0033784 k( 236) = ( 0.0869565 0.1506131 0.3292402), wk = 0.0033784 k( 237) = ( 0.0797101 0.1380620 0.3292402), wk = 0.0033784 k( 238) = ( 0.0724638 0.1255109 0.3292402), wk = 0.0033784 k( 239) = ( 0.0652174 0.1129598 0.3292402), wk = 0.0033784 k( 240) = ( 0.0579710 0.1004087 0.3292402), wk = 0.0033784 k( 241) = ( 0.0507246 0.0878577 0.3292402), wk = 0.0033784 k( 242) = ( 0.0434783 0.0753066 0.3292402), wk = 0.0033784 k( 243) = ( 0.0362319 0.0627555 0.3292402), wk = 0.0033784 k( 244) = ( 0.0289855 0.0502044 0.3292402), wk = 0.0033784 k( 245) = ( 0.0217391 0.0376533 0.3292402), wk = 0.0033784 k( 246) = ( 0.0144928 0.0251022 0.3292402), wk = 0.0033784 k( 247) = ( 0.0072464 0.0125511 0.3292402), wk = 0.0033784 k( 248) = ( 0.0000000 0.0000000 0.3292402), wk = 0.0033784 k( 249) = ( 0.5000000 0.2886751 0.3292402), wk = 0.0033784 k( 250) = ( 0.5000000 0.2886751 0.3149254), wk = 0.0033784 k( 251) = ( 0.5000000 0.2886751 0.3006106), wk = 0.0033784 k( 252) = ( 0.5000000 0.2886751 0.2862958), wk = 0.0033784 k( 253) = ( 0.5000000 0.2886751 0.2719810), wk = 0.0033784 k( 254) = ( 0.5000000 0.2886751 0.2576662), wk = 0.0033784 k( 255) = ( 0.5000000 0.2886751 0.2433515), wk = 0.0033784 k( 256) = ( 0.5000000 0.2886751 0.2290367), wk = 0.0033784 k( 257) = ( 0.5000000 0.2886751 0.2147219), wk = 0.0033784 k( 258) = ( 0.5000000 0.2886751 0.2004071), wk = 0.0033784 k( 259) = ( 0.5000000 0.2886751 0.1860923), wk = 0.0033784 k( 260) = ( 0.5000000 0.2886751 0.1717775), wk = 0.0033784 k( 261) = ( 0.5000000 0.2886751 0.1574627), wk = 0.0033784 k( 262) = ( 0.5000000 0.2886751 0.1431479), wk = 0.0033784 k( 263) = ( 0.5000000 0.2886751 0.1288331), wk = 0.0033784 k( 264) = ( 0.5000000 0.2886751 0.1145183), wk = 0.0033784 k( 265) = ( 0.5000000 0.2886751 0.1002035), wk = 0.0033784 k( 266) = ( 0.5000000 0.2886751 0.0858887), wk = 0.0033784 k( 267) = ( 0.5000000 0.2886751 0.0715740), wk = 0.0033784 k( 268) = ( 0.5000000 0.2886751 0.0572592), wk = 0.0033784 k( 269) = ( 0.5000000 0.2886751 0.0429444), wk = 0.0033784 k( 270) = ( 0.5000000 0.2886751 0.0286296), wk = 0.0033784 k( 271) = ( 0.5000000 0.2886751 0.0143148), wk = 0.0033784 k( 272) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033784 k( 273) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033784 k( 274) = ( 0.3333333 0.5773503 0.0143148), wk = 0.0033784 k( 275) = ( 0.3333333 0.5773503 0.0286296), wk = 0.0033784 k( 276) = ( 0.3333333 0.5773503 0.0429444), wk = 0.0033784 k( 277) = ( 0.3333333 0.5773503 0.0572592), wk = 0.0033784 k( 278) = ( 0.3333333 0.5773503 0.0715740), wk = 0.0033784 k( 279) = ( 0.3333333 0.5773503 0.0858887), wk = 0.0033784 k( 280) = ( 0.3333333 0.5773503 0.1002035), wk = 0.0033784 k( 281) = ( 0.3333333 0.5773503 0.1145183), wk = 0.0033784 k( 282) = ( 0.3333333 0.5773503 0.1288331), wk = 0.0033784 k( 283) = ( 0.3333333 0.5773503 0.1431479), wk = 0.0033784 k( 284) = ( 0.3333333 0.5773503 0.1574627), wk = 0.0033784 k( 285) = ( 0.3333333 0.5773503 0.1717775), wk = 0.0033784 k( 286) = ( 0.3333333 0.5773503 0.1860923), wk = 0.0033784 k( 287) = ( 0.3333333 0.5773503 0.2004071), wk = 0.0033784 k( 288) = ( 0.3333333 0.5773503 0.2147219), wk = 0.0033784 k( 289) = ( 0.3333333 0.5773503 0.2290367), wk = 0.0033784 k( 290) = ( 0.3333333 0.5773503 0.2433515), wk = 0.0033784 k( 291) = ( 0.3333333 0.5773503 0.2576662), wk = 0.0033784 k( 292) = ( 0.3333333 0.5773503 0.2719810), wk = 0.0033784 k( 293) = ( 0.3333333 0.5773503 0.2862958), wk = 0.0033784 k( 294) = ( 0.3333333 0.5773503 0.3006106), wk = 0.0033784 k( 295) = ( 0.3333333 0.5773503 0.3149254), wk = 0.0033784 k( 296) = ( 0.3333333 0.5773503 0.3292402), wk = 0.0033784 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0033784 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0033784 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0033784 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0033784 k( 6) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0033784 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0033784 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0033784 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0033784 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0033784 k( 11) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0033784 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0033784 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0033784 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0033784 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0033784 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0033784 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0033784 k( 18) = ( 0.2125000 -0.0000000 0.0000000), wk = 0.0033784 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0033784 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0033784 k( 21) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033784 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0033784 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0033784 k( 24) = ( 0.2875000 -0.0000000 0.0000000), wk = 0.0033784 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0033784 k( 26) = ( 0.3125000 -0.0000000 0.0000000), wk = 0.0033784 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0033784 k( 28) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0033784 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0033784 k( 30) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0033784 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0033784 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0033784 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0033784 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0033784 k( 35) = ( 0.4250000 -0.0000000 0.0000000), wk = 0.0033784 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0033784 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0033784 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0033784 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0033784 k( 40) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0033784 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033784 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033784 k( 43) = ( 0.4927536 0.0144927 -0.0000000), wk = 0.0033784 k( 44) = ( 0.4855073 0.0289855 0.0000000), wk = 0.0033784 k( 45) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0033784 k( 46) = ( 0.4710145 0.0579710 -0.0000000), wk = 0.0033784 k( 47) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0033784 k( 48) = ( 0.4565217 0.0869565 0.0000000), wk = 0.0033784 k( 49) = ( 0.4492754 0.1014493 -0.0000000), wk = 0.0033784 k( 50) = ( 0.4420290 0.1159420 0.0000000), wk = 0.0033784 k( 51) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0033784 k( 52) = ( 0.4275362 0.1449275 -0.0000000), wk = 0.0033784 k( 53) = ( 0.4202899 0.1594203 -0.0000000), wk = 0.0033784 k( 54) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0033784 k( 55) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0033784 k( 56) = ( 0.3985507 0.2028985 -0.0000000), wk = 0.0033784 k( 57) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0033784 k( 58) = ( 0.3840580 0.2318841 -0.0000000), wk = 0.0033784 k( 59) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0033784 k( 60) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0033784 k( 61) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0033784 k( 62) = ( 0.3550725 0.2898551 -0.0000000), wk = 0.0033784 k( 63) = ( 0.3478261 0.3043478 -0.0000000), wk = 0.0033784 k( 64) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0033784 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033784 k( 66) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033784 k( 67) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0033784 k( 68) = ( 0.3188406 0.3188406 0.0000000), wk = 0.0033784 k( 69) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0033784 k( 70) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0033784 k( 71) = ( 0.2971014 0.2971014 0.0000000), wk = 0.0033784 k( 72) = ( 0.2898551 0.2898551 0.0000000), wk = 0.0033784 k( 73) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0033784 k( 74) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0033784 k( 75) = ( 0.2681159 0.2681159 -0.0000000), wk = 0.0033784 k( 76) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0033784 k( 77) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0033784 k( 78) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0033784 k( 79) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0033784 k( 80) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0033784 k( 81) = ( 0.2246377 0.2246377 -0.0000000), wk = 0.0033784 k( 82) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0033784 k( 83) = ( 0.2101449 0.2101449 -0.0000000), wk = 0.0033784 k( 84) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0033784 k( 85) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0033784 k( 86) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0033784 k( 87) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0033784 k( 88) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0033784 k( 89) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033784 k( 90) = ( 0.1594203 0.1594203 0.0000000), wk = 0.0033784 k( 91) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0033784 k( 92) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0033784 k( 93) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0033784 k( 94) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0033784 k( 95) = ( 0.1231884 0.1231884 0.0000000), wk = 0.0033784 k( 96) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0033784 k( 97) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0033784 k( 98) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0033784 k( 99) = ( 0.0942029 0.0942029 0.0000000), wk = 0.0033784 k( 100) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0033784 k( 101) = ( 0.0797101 0.0797101 -0.0000000), wk = 0.0033784 k( 102) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0033784 k( 103) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0033784 k( 104) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0033784 k( 105) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0033784 k( 106) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0033784 k( 107) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0033784 k( 108) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0033784 k( 109) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0033784 k( 110) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0033784 k( 111) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0033784 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 114) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0033784 k( 115) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0033784 k( 116) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0033784 k( 117) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0033784 k( 118) = ( 0.0000000 0.0000000 0.1086956), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0033784 k( 121) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0033784 k( 122) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0033784 k( 123) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0033784 k( 124) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0033784 k( 125) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0033784 k( 126) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0033784 k( 127) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0033784 k( 128) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0033784 k( 129) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0033784 k( 130) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0033784 k( 131) = ( 0.0000000 0.0000000 0.3913043), wk = 0.0033784 k( 132) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0033784 k( 135) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0033784 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 138) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0033784 k( 139) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0033784 k( 140) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0033784 k( 141) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0033784 k( 142) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0033784 k( 143) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0033784 k( 144) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0033784 k( 145) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0033784 k( 146) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0033784 k( 147) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0033784 k( 148) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0033784 k( 149) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0033784 k( 150) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0033784 k( 151) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0033784 k( 152) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0033784 k( 153) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0033784 k( 154) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0033784 k( 155) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0033784 k( 156) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0033784 k( 157) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033784 k( 158) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0033784 k( 159) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0033784 k( 160) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0033784 k( 161) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0033784 k( 162) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0033784 k( 163) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0033784 k( 164) = ( 0.3375000 0.0000000 0.5000000), wk = 0.0033784 k( 165) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0033784 k( 166) = ( 0.3625000 0.0000000 0.5000000), wk = 0.0033784 k( 167) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0033784 k( 168) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0033784 k( 169) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0033784 k( 170) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0033784 k( 171) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0033784 k( 172) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0033784 k( 173) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0033784 k( 174) = ( 0.4625000 0.0000000 0.5000000), wk = 0.0033784 k( 175) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0033784 k( 176) = ( 0.4875000 0.0000000 0.5000000), wk = 0.0033784 k( 177) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 178) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 179) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0033784 k( 180) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0033784 k( 181) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0033784 k( 182) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0033784 k( 183) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0033784 k( 184) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0033784 k( 185) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0033784 k( 186) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0033784 k( 187) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0033784 k( 188) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0033784 k( 189) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0033784 k( 190) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0033784 k( 191) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0033784 k( 192) = ( 0.3985507 0.2028985 0.5000000), wk = 0.0033784 k( 193) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0033784 k( 194) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0033784 k( 195) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0033784 k( 196) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0033784 k( 197) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0033784 k( 198) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0033784 k( 199) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0033784 k( 200) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0033784 k( 201) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 k( 203) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0033784 k( 204) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0033784 k( 205) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0033784 k( 206) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0033784 k( 207) = ( 0.2971014 0.2971014 0.5000000), wk = 0.0033784 k( 208) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0033784 k( 209) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0033784 k( 210) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0033784 k( 211) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0033784 k( 212) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0033784 k( 213) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0033784 k( 214) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0033784 k( 215) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0033784 k( 216) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0033784 k( 217) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0033784 k( 218) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0033784 k( 219) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0033784 k( 220) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0033784 k( 221) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0033784 k( 222) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0033784 k( 223) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0033784 k( 224) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0033784 k( 225) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033784 k( 226) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0033784 k( 227) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0033784 k( 228) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0033784 k( 229) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0033784 k( 230) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0033784 k( 231) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0033784 k( 232) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0033784 k( 233) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0033784 k( 234) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0033784 k( 235) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0033784 k( 236) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0033784 k( 237) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0033784 k( 238) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0033784 k( 239) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0033784 k( 240) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0033784 k( 241) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0033784 k( 242) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0033784 k( 243) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0033784 k( 244) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0033784 k( 245) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0033784 k( 246) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0033784 k( 247) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0033784 k( 248) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 249) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 250) = ( 0.5000000 0.0000000 0.4782609), wk = 0.0033784 k( 251) = ( 0.5000000 0.0000000 0.4565217), wk = 0.0033784 k( 252) = ( 0.5000000 0.0000000 0.4347826), wk = 0.0033784 k( 253) = ( 0.5000000 0.0000000 0.4130435), wk = 0.0033784 k( 254) = ( 0.5000000 0.0000000 0.3913043), wk = 0.0033784 k( 255) = ( 0.5000000 0.0000000 0.3695652), wk = 0.0033784 k( 256) = ( 0.5000000 0.0000000 0.3478261), wk = 0.0033784 k( 257) = ( 0.5000000 0.0000000 0.3260870), wk = 0.0033784 k( 258) = ( 0.5000000 0.0000000 0.3043478), wk = 0.0033784 k( 259) = ( 0.5000000 0.0000000 0.2826087), wk = 0.0033784 k( 260) = ( 0.5000000 0.0000000 0.2608696), wk = 0.0033784 k( 261) = ( 0.5000000 0.0000000 0.2391304), wk = 0.0033784 k( 262) = ( 0.5000000 0.0000000 0.2173913), wk = 0.0033784 k( 263) = ( 0.5000000 0.0000000 0.1956522), wk = 0.0033784 k( 264) = ( 0.5000000 0.0000000 0.1739130), wk = 0.0033784 k( 265) = ( 0.5000000 0.0000000 0.1521739), wk = 0.0033784 k( 266) = ( 0.5000000 0.0000000 0.1304348), wk = 0.0033784 k( 267) = ( 0.5000000 0.0000000 0.1086957), wk = 0.0033784 k( 268) = ( 0.5000000 0.0000000 0.0869565), wk = 0.0033784 k( 269) = ( 0.5000000 0.0000000 0.0652174), wk = 0.0033784 k( 270) = ( 0.5000000 0.0000000 0.0434783), wk = 0.0033784 k( 271) = ( 0.5000000 0.0000000 0.0217391), wk = 0.0033784 k( 272) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033784 k( 273) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033784 k( 274) = ( 0.3333333 0.3333333 0.0217391), wk = 0.0033784 k( 275) = ( 0.3333333 0.3333333 0.0434783), wk = 0.0033784 k( 276) = ( 0.3333333 0.3333333 0.0652174), wk = 0.0033784 k( 277) = ( 0.3333333 0.3333333 0.0869565), wk = 0.0033784 k( 278) = ( 0.3333333 0.3333333 0.1086956), wk = 0.0033784 k( 279) = ( 0.3333333 0.3333333 0.1304348), wk = 0.0033784 k( 280) = ( 0.3333333 0.3333333 0.1521739), wk = 0.0033784 k( 281) = ( 0.3333333 0.3333333 0.1739130), wk = 0.0033784 k( 282) = ( 0.3333333 0.3333333 0.1956522), wk = 0.0033784 k( 283) = ( 0.3333333 0.3333333 0.2173913), wk = 0.0033784 k( 284) = ( 0.3333333 0.3333333 0.2391304), wk = 0.0033784 k( 285) = ( 0.3333333 0.3333333 0.2608696), wk = 0.0033784 k( 286) = ( 0.3333333 0.3333333 0.2826087), wk = 0.0033784 k( 287) = ( 0.3333333 0.3333333 0.3043478), wk = 0.0033784 k( 288) = ( 0.3333333 0.3333333 0.3260870), wk = 0.0033784 k( 289) = ( 0.3333333 0.3333333 0.3478261), wk = 0.0033784 k( 290) = ( 0.3333333 0.3333333 0.3695652), wk = 0.0033784 k( 291) = ( 0.3333333 0.3333333 0.3913044), wk = 0.0033784 k( 292) = ( 0.3333333 0.3333333 0.4130435), wk = 0.0033784 k( 293) = ( 0.3333333 0.3333333 0.4347826), wk = 0.0033784 k( 294) = ( 0.3333333 0.3333333 0.4565217), wk = 0.0033784 k( 295) = ( 0.3333333 0.3333333 0.4782609), wk = 0.0033784 k( 296) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033784 Dense grid: 124681 G-vectors FFT dimensions: ( 60, 60, 90) Smooth grid: 35667 G-vectors FFT dimensions: ( 40, 40, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 198, 62) NL pseudopotentials 0.25 Mb ( 99, 168) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2597) G-vector shells 0.01 Mb ( 1206) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 198, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.32 Mb ( 168, 2, 62) The potential is recalculated from file : ./CaBiAu.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.3 secs Computing kpt #: 2 total cpu time spent up to now is 50.9 secs Computing kpt #: 3 total cpu time spent up to now is 55.6 secs Computing kpt #: 4 total cpu time spent up to now is 60.1 secs Computing kpt #: 5 total cpu time spent up to now is 65.1 secs Computing kpt #: 6 total cpu time spent up to now is 70.1 secs Computing kpt #: 7 total cpu time spent up to now is 75.7 secs Computing kpt #: 8 total cpu time spent up to now is 81.1 secs Computing kpt #: 9 total cpu time spent up to now is 87.9 secs Computing kpt #: 10 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.6 secs Computing kpt #: 11 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.6 secs Computing kpt #: 12 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.9 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 115.7 secs Computing kpt #: 14 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.3 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.0 secs Computing kpt #: 16 total cpu time spent up to now is 135.8 secs Computing kpt #: 17 total cpu time spent up to now is 142.1 secs Computing kpt #: 18 total cpu time spent up to now is 148.2 secs Computing kpt #: 19 total cpu time spent up to now is 153.6 secs Computing kpt #: 20 total cpu time spent up to now is 159.0 secs Computing kpt #: 21 total cpu time spent up to now is 165.0 secs Computing kpt #: 22 total cpu time spent up to now is 170.6 secs Computing kpt #: 23 total cpu time spent up to now is 176.1 secs Computing kpt #: 24 total cpu time spent up to now is 182.1 secs Computing kpt #: 25 total cpu time spent up to now is 187.3 secs Computing kpt #: 26 total cpu time spent up to now is 192.3 secs Computing kpt #: 27 total cpu time spent up to now is 197.5 secs Computing kpt #: 28 total cpu time spent up to now is 202.6 secs Computing kpt #: 29 total cpu time spent up to now is 207.8 secs Computing kpt #: 30 total cpu time spent up to now is 213.2 secs Computing kpt #: 31 total cpu time spent up to now is 220.2 secs Computing kpt #: 32 total cpu time spent up to now is 225.9 secs Computing kpt #: 33 total cpu time spent up to now is 231.0 secs Computing kpt #: 34 total cpu time spent up to now is 236.2 secs Computing kpt #: 35 total cpu time spent up to now is 241.6 secs Computing kpt #: 36 total cpu time spent up to now is 246.7 secs Computing kpt #: 37 total cpu time spent up to now is 251.7 secs Computing kpt #: 38 total cpu time spent up to now is 256.9 secs Computing kpt #: 39 total cpu time spent up to now is 261.7 secs Computing kpt #: 40 total cpu time spent up to now is 267.2 secs Computing kpt #: 41 total cpu time spent up to now is 272.2 secs Computing kpt #: 42 total cpu time spent up to now is 277.1 secs Computing kpt #: 43 total cpu time spent up to now is 282.1 secs Computing kpt #: 44 total cpu time spent up to now is 287.2 secs Computing kpt #: 45 total cpu time spent up to now is 292.6 secs Computing kpt #: 46 total cpu time spent up to now is 297.6 secs Computing kpt #: 47 total cpu time spent up to now is 303.1 secs Computing kpt #: 48 total cpu time spent up to now is 309.2 secs Computing kpt #: 49 total cpu time spent up to now is 314.8 secs Computing kpt #: 50 total cpu time spent up to now is 320.9 secs Computing kpt #: 51 total cpu time spent up to now is 327.4 secs Computing kpt #: 52 total cpu time spent up to now is 333.6 secs Computing kpt #: 53 total cpu time spent up to now is 340.5 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.6 secs Computing kpt #: 55 total cpu time spent up to now is 355.4 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 362.4 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 369.4 secs Computing kpt #: 58 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 376.6 secs Computing kpt #: 59 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 383.9 secs Computing kpt #: 60 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 391.0 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 398.1 secs Computing kpt #: 62 total cpu time spent up to now is 404.1 secs Computing kpt #: 63 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 411.1 secs Computing kpt #: 64 total cpu time spent up to now is 417.4 secs Computing kpt #: 65 total cpu time spent up to now is 423.9 secs Computing kpt #: 66 total cpu time spent up to now is 430.0 secs Computing kpt #: 67 total cpu time spent up to now is 436.7 secs Computing kpt #: 68 total cpu time spent up to now is 443.4 secs Computing kpt #: 69 total cpu time spent up to now is 450.4 secs Computing kpt #: 70 total cpu time spent up to now is 457.3 secs Computing kpt #: 71 total cpu time spent up to now is 463.6 secs Computing kpt #: 72 total cpu time spent up to now is 468.9 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 475.9 secs Computing kpt #: 74 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 483.0 secs Computing kpt #: 75 total cpu time spent up to now is 489.0 secs Computing kpt #: 76 total cpu time spent up to now is 495.0 secs Computing kpt #: 77 total cpu time spent up to now is 500.2 secs Computing kpt #: 78 total cpu time spent up to now is 506.3 secs Computing kpt #: 79 total cpu time spent up to now is 512.5 secs Computing kpt #: 80 total cpu time spent up to now is 519.2 secs Computing kpt #: 81 total cpu time spent up to now is 525.1 secs Computing kpt #: 82 total cpu time spent up to now is 530.8 secs Computing kpt #: 83 total cpu time spent up to now is 536.6 secs Computing kpt #: 84 total cpu time spent up to now is 542.1 secs Computing kpt #: 85 total cpu time spent up to now is 547.3 secs Computing kpt #: 86 total cpu time spent up to now is 552.9 secs Computing kpt #: 87 total cpu time spent up to now is 559.0 secs Computing kpt #: 88 total cpu time spent up to now is 564.4 secs Computing kpt #: 89 total cpu time spent up to now is 569.8 secs Computing kpt #: 90 total cpu time spent up to now is 576.5 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 583.5 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 590.5 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 597.4 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 604.6 secs Computing kpt #: 95 total cpu time spent up to now is 611.3 secs Computing kpt #: 96 total cpu time spent up to now is 618.0 secs Computing kpt #: 97 total cpu time spent up to now is 624.7 secs Computing kpt #: 98 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 631.4 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 638.1 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 644.8 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 651.5 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 658.2 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 664.9 secs Computing kpt #: 104 total cpu time spent up to now is 671.5 secs Computing kpt #: 105 total cpu time spent up to now is 677.0 secs Computing kpt #: 106 total cpu time spent up to now is 681.9 secs Computing kpt #: 107 total cpu time spent up to now is 687.2 secs Computing kpt #: 108 total cpu time spent up to now is 692.0 secs Computing kpt #: 109 total cpu time spent up to now is 696.8 secs Computing kpt #: 110 total cpu time spent up to now is 701.2 secs Computing kpt #: 111 total cpu time spent up to now is 706.1 secs Computing kpt #: 112 total cpu time spent up to now is 710.1 secs Computing kpt #: 113 total cpu time spent up to now is 714.0 secs Computing kpt #: 114 total cpu time spent up to now is 718.0 secs Computing kpt #: 115 total cpu time spent up to now is 722.2 secs Computing kpt #: 116 total cpu time spent up to now is 726.4 secs Computing kpt #: 117 total cpu time spent up to now is 730.9 secs Computing kpt #: 118 total cpu time spent up to now is 735.3 secs Computing kpt #: 119 total cpu time spent up to now is 739.6 secs Computing kpt #: 120 total cpu time spent up to now is 744.0 secs Computing kpt #: 121 total cpu time spent up to now is 748.8 secs Computing kpt #: 122 total cpu time spent up to now is 753.5 secs Computing kpt #: 123 total cpu time spent up to now is 758.8 secs Computing kpt #: 124 total cpu time spent up to now is 763.9 secs Computing kpt #: 125 total cpu time spent up to now is 768.7 secs Computing kpt #: 126 total cpu time spent up to now is 773.9 secs Computing kpt #: 127 total cpu time spent up to now is 779.1 secs Computing kpt #: 128 total cpu time spent up to now is 784.1 secs Computing kpt #: 129 total cpu time spent up to now is 789.3 secs Computing kpt #: 130 total cpu time spent up to now is 794.6 secs Computing kpt #: 131 total cpu time spent up to now is 799.7 secs Computing kpt #: 132 total cpu time spent up to now is 805.1 secs Computing kpt #: 133 total cpu time spent up to now is 810.4 secs Computing kpt #: 134 total cpu time spent up to now is 816.9 secs Computing kpt #: 135 total cpu time spent up to now is 823.0 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 829.6 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 836.2 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 843.4 secs Computing kpt #: 139 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 851.0 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 858.4 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 865.7 secs Computing kpt #: 142 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 873.1 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 880.5 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 887.8 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 894.8 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 902.2 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 909.3 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 916.6 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 923.7 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 930.8 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 937.8 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 945.2 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 952.1 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 959.0 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 965.9 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 972.6 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 979.6 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 986.4 secs Computing kpt #: 159 total cpu time spent up to now is 992.4 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 999.2 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1006.2 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1012.9 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1019.6 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1026.7 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1033.4 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1041.9 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1048.6 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1055.2 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1062.1 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1069.0 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1076.3 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1083.1 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1091.6 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1098.0 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1104.7 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1111.2 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1119.2 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1125.6 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1132.2 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1139.0 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1146.4 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1153.0 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1160.3 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1166.9 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1174.0 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1181.3 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1188.0 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1195.3 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1202.2 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1209.2 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1216.3 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1223.6 secs Computing kpt #: 193 total cpu time spent up to now is 1230.2 secs Computing kpt #: 194 total cpu time spent up to now is 1236.6 secs Computing kpt #: 195 total cpu time spent up to now is 1242.1 secs Computing kpt #: 196 total cpu time spent up to now is 1247.4 secs Computing kpt #: 197 total cpu time spent up to now is 1253.4 secs Computing kpt #: 198 total cpu time spent up to now is 1258.9 secs Computing kpt #: 199 total cpu time spent up to now is 1264.5 secs Computing kpt #: 200 total cpu time spent up to now is 1269.8 secs Computing kpt #: 201 total cpu time spent up to now is 1275.1 secs Computing kpt #: 202 total cpu time spent up to now is 1280.3 secs Computing kpt #: 203 total cpu time spent up to now is 1285.5 secs Computing kpt #: 204 total cpu time spent up to now is 1291.1 secs Computing kpt #: 205 total cpu time spent up to now is 1296.8 secs Computing kpt #: 206 total cpu time spent up to now is 1301.9 secs Computing kpt #: 207 total cpu time spent up to now is 1308.1 secs Computing kpt #: 208 total cpu time spent up to now is 1314.6 secs Computing kpt #: 209 total cpu time spent up to now is 1321.2 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1328.3 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1335.3 secs Computing kpt #: 212 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1343.0 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1351.9 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1359.2 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1366.5 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1373.6 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1380.3 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1387.1 secs Computing kpt #: 219 total cpu time spent up to now is 1392.8 secs Computing kpt #: 220 total cpu time spent up to now is 1398.4 secs Computing kpt #: 221 total cpu time spent up to now is 1403.8 secs Computing kpt #: 222 total cpu time spent up to now is 1408.9 secs Computing kpt #: 223 total cpu time spent up to now is 1415.3 secs Computing kpt #: 224 total cpu time spent up to now is 1422.7 secs Computing kpt #: 225 total cpu time spent up to now is 1430.2 secs Computing kpt #: 226 total cpu time spent up to now is 1435.3 secs Computing kpt #: 227 total cpu time spent up to now is 1440.4 secs Computing kpt #: 228 total cpu time spent up to now is 1445.9 secs Computing kpt #: 229 total cpu time spent up to now is 1451.2 secs Computing kpt #: 230 total cpu time spent up to now is 1456.4 secs Computing kpt #: 231 total cpu time spent up to now is 1461.9 secs Computing kpt #: 232 total cpu time spent up to now is 1467.6 secs Computing kpt #: 233 total cpu time spent up to now is 1473.9 secs Computing kpt #: 234 total cpu time spent up to now is 1479.5 secs Computing kpt #: 235 total cpu time spent up to now is 1486.4 secs Computing kpt #: 236 total cpu time spent up to now is 1491.9 secs Computing kpt #: 237 total cpu time spent up to now is 1497.5 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1504.7 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1513.1 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1520.3 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1527.2 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1534.5 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1541.7 secs Computing kpt #: 244 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1549.1 secs Computing kpt #: 245 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1556.8 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1563.9 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1571.2 secs Computing kpt #: 248 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1578.1 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1586.1 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1592.7 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1599.3 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1606.4 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1613.1 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1619.9 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1626.7 secs Computing kpt #: 256 total cpu time spent up to now is 1633.1 secs Computing kpt #: 257 total cpu time spent up to now is 1639.7 secs Computing kpt #: 258 total cpu time spent up to now is 1645.5 secs Computing kpt #: 259 total cpu time spent up to now is 1651.2 secs Computing kpt #: 260 total cpu time spent up to now is 1656.8 secs Computing kpt #: 261 total cpu time spent up to now is 1662.0 secs Computing kpt #: 262 total cpu time spent up to now is 1667.2 secs Computing kpt #: 263 total cpu time spent up to now is 1672.4 secs Computing kpt #: 264 total cpu time spent up to now is 1677.4 secs Computing kpt #: 265 total cpu time spent up to now is 1682.4 secs Computing kpt #: 266 total cpu time spent up to now is 1687.2 secs Computing kpt #: 267 total cpu time spent up to now is 1692.4 secs Computing kpt #: 268 total cpu time spent up to now is 1697.3 secs Computing kpt #: 269 total cpu time spent up to now is 1702.2 secs Computing kpt #: 270 total cpu time spent up to now is 1706.9 secs Computing kpt #: 271 total cpu time spent up to now is 1711.9 secs Computing kpt #: 272 total cpu time spent up to now is 1718.3 secs Computing kpt #: 273 total cpu time spent up to now is 1725.7 secs Computing kpt #: 274 total cpu time spent up to now is 1731.5 secs Computing kpt #: 275 total cpu time spent up to now is 1737.9 secs Computing kpt #: 276 total cpu time spent up to now is 1744.1 secs Computing kpt #: 277 total cpu time spent up to now is 1750.2 secs Computing kpt #: 278 total cpu time spent up to now is 1756.3 secs Computing kpt #: 279 total cpu time spent up to now is 1762.5 secs Computing kpt #: 280 total cpu time spent up to now is 1768.9 secs Computing kpt #: 281 total cpu time spent up to now is 1775.0 secs Computing kpt #: 282 total cpu time spent up to now is 1781.2 secs Computing kpt #: 283 total cpu time spent up to now is 1787.4 secs Computing kpt #: 284 total cpu time spent up to now is 1793.5 secs Computing kpt #: 285 total cpu time spent up to now is 1800.3 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1807.2 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1814.3 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1821.6 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1828.7 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1835.8 secs Computing kpt #: 291 total cpu time spent up to now is 1842.0 secs Computing kpt #: 292 total cpu time spent up to now is 1848.0 secs Computing kpt #: 293 total cpu time spent up to now is 1853.3 secs Computing kpt #: 294 total cpu time spent up to now is 1858.5 secs Computing kpt #: 295 total cpu time spent up to now is 1863.6 secs Computing kpt #: 296 total cpu time spent up to now is 1869.2 secs ethr = 1.92E-11, avg # of iterations = 95.0 total cpu time spent up to now is 1869.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4469 PWs) bands (ev): -28.7092 -28.7092 -28.6839 -28.6839 -10.1403 -10.1403 -10.0215 -10.0215 -9.7669 -9.7669 -9.6708 -9.6708 -9.6323 -9.6323 -9.6133 -9.6133 -0.6082 -0.6082 0.5057 0.5057 5.4167 5.4167 5.6124 5.6124 5.9041 5.9041 5.9941 5.9941 6.3421 6.3421 6.6302 6.6302 6.8363 6.8363 7.3076 7.3076 7.3860 7.3860 7.8090 7.8090 8.3555 8.3555 10.6076 10.6076 11.2843 11.2843 11.8158 11.8158 11.9105 11.9105 12.2330 12.2330 13.5894 13.5894 13.9158 13.9158 13.9867 13.9867 14.0425 14.0425 14.0612 14.0612 k = 0.0125 0.0072-0.0000 ( 4475 PWs) bands (ev): -28.7092 -28.7092 -28.6839 -28.6839 -10.1404 -10.1401 -10.0217 -10.0214 -9.7671 -9.7668 -9.6708 -9.6708 -9.6323 -9.6323 -9.6135 -9.6132 -0.6069 -0.6067 0.5054 0.5064 5.4173 5.4173 5.6124 5.6124 5.8994 5.9099 5.9882 6.0002 6.3370 6.3470 6.6072 6.6504 6.8244 6.8521 7.3075 7.3075 7.3825 7.3901 7.8096 7.8096 8.3505 8.3603 10.5943 10.6035 11.2608 11.2615 11.8416 11.8522 11.8525 11.9569 12.1536 12.2987 13.5726 13.5973 13.8539 13.8576 13.9392 13.9565 14.0388 14.0490 14.1625 14.1644 k = 0.0250 0.0144-0.0000 ( 4473 PWs) bands (ev): -28.7092 -28.7092 -28.6839 -28.6839 -10.1405 -10.1399 -10.0220 -10.0213 -9.7673 -9.7666 -9.6710 -9.6710 -9.6324 -9.6324 -9.6137 -9.6130 -0.6031 -0.6026 0.5056 0.5078 5.4189 5.4190 5.6123 5.6124 5.8957 5.9166 5.9822 6.0062 6.3318 6.3518 6.5829 6.6657 6.8186 6.8703 7.3072 7.3074 7.3796 7.3947 7.8116 7.8116 8.3451 8.3650 10.5634 10.5818 11.2034 11.2070 11.7834 11.9174 11.9360 11.9909 12.0620 12.3496 13.5488 13.5881 13.7570 13.7641 13.8483 13.8998 14.1070 14.1130 14.2806 14.2872 k = 0.0375 0.0217-0.0000 ( 4481 PWs) bands (ev): -28.7091 -28.7091 -28.6839 -28.6839 -10.1405 -10.1397 -10.0223 -10.0214 -9.7675 -9.7665 -9.6714 -9.6714 -9.6326 -9.6326 -9.6139 -9.6129 -0.5966 -0.5959 0.5064 0.5097 5.4216 5.4218 5.6121 5.6123 5.8930 5.9243 5.9764 6.0123 6.3266 6.3562 6.5583 6.6737 6.8212 6.8899 7.3067 7.3073 7.3773 7.3999 7.8149 7.8150 8.3393 8.3695 10.5142 10.5417 11.1342 11.1424 11.7046 11.9560 12.0118 12.0214 12.0500 12.3849 13.5158 13.5426 13.6526 13.6992 13.7622 13.8591 14.1721 14.1842 14.3981 14.4139 k = 0.0500 0.0289-0.0000 ( 4479 PWs) bands (ev): -28.7091 -28.7091 -28.6839 -28.6839 -10.1405 -10.1394 -10.0228 -10.0215 -9.7677 -9.7664 -9.6718 -9.6718 -9.6329 -9.6329 -9.6142 -9.6128 -0.5875 -0.5865 0.5079 0.5122 5.4253 5.4257 5.6118 5.6123 5.8914 5.9328 5.9706 6.0184 6.3214 6.3605 6.5338 6.6737 6.8329 6.9104 7.3059 7.3073 7.3758 7.4055 7.8195 7.8199 8.3331 8.3740 10.4472 10.4832 11.0668 11.0795 11.6169 11.8436 12.0201 12.1391 12.1748 12.4037 13.4602 13.4621 13.5684 13.6434 13.7057 13.8273 14.2273 14.2658 14.5108 14.5422 k = 0.0625 0.0361-0.0000 ( 4479 PWs) bands (ev): -28.7091 -28.7091 -28.6839 -28.6839 -10.1405 -10.1391 -10.0232 -10.0216 -9.7680 -9.7664 -9.6724 -9.6724 -9.6332 -9.6332 -9.6144 -9.6127 -0.5759 -0.5746 0.5098 0.5152 5.4300 5.4307 5.6112 5.6122 5.8908 5.9420 5.9651 6.0246 6.3164 6.3645 6.5098 6.6676 6.8517 6.9313 7.3046 7.3073 7.3749 7.4115 7.8254 7.8261 8.3265 8.3787 10.3643 10.4075 11.0066 11.0229 11.5214 11.7220 12.0155 12.2616 12.3082 12.4054 13.3697 13.3754 13.5206 13.5616 13.6924 13.8019 14.2808 14.3490 14.6156 14.6705 k = 0.0750 0.0433-0.0000 ( 4476 PWs) bands (ev): -28.7090 -28.7090 -28.6838 -28.6838 -10.1404 -10.1387 -10.0238 -10.0219 -9.7683 -9.7663 -9.6731 -9.6730 -9.6336 -9.6336 -9.6147 -9.6127 -0.5616 -0.5601 0.5123 0.5187 5.4355 5.4368 5.6104 5.6122 5.8912 5.9512 5.9604 6.0308 6.3115 6.3682 6.4865 6.6580 6.8750 6.9523 7.3030 7.3075 7.3748 7.4181 7.8326 7.8339 8.3193 8.3836 10.2685 10.3179 10.9541 10.9725 11.4191 11.5938 11.9985 12.3592 12.4127 12.4456 13.2641 13.2982 13.4771 13.4917 13.6907 13.7816 14.3342 14.4309 14.7103 14.7975 k = 0.0875 0.0505-0.0000 ( 4480 PWs) bands (ev): -28.7090 -28.7090 -28.6838 -28.6838 -10.1403 -10.1383 -10.0244 -10.0222 -9.7685 -9.7663 -9.6740 -9.6739 -9.6340 -9.6340 -9.6149 -9.6127 -0.5449 -0.5432 0.5152 0.5227 5.4419 5.4439 5.6093 5.6121 5.8926 5.9528 5.9642 6.0372 6.3071 6.3716 6.4642 6.6467 6.9007 6.9731 7.3010 7.3079 7.3753 7.4250 7.8409 7.8432 8.3116 8.3889 10.1632 10.2181 10.9077 10.9267 11.3111 11.4605 11.9698 12.3351 12.5153 12.5838 13.1557 13.2368 13.3993 13.4710 13.6925 13.7661 14.3881 14.5089 14.7935 14.9217 k = 0.1000 0.0577-0.0000 ( 4464 PWs) bands (ev): -28.7089 -28.7089 -28.6838 -28.6837 -10.1401 -10.1379 -10.0251 -10.0226 -9.7688 -9.7663 -9.6749 -9.6747 -9.6345 -9.6345 -9.6152 -9.6127 -0.5258 -0.5238 0.5188 0.5273 5.4491 5.4520 5.6078 5.6121 5.8950 5.9482 5.9750 6.0437 6.3031 6.3746 6.4433 6.6348 6.9276 6.9935 7.2986 7.3085 7.3763 7.4324 7.8503 7.8542 8.3033 8.3948 10.0517 10.1119 10.8651 10.8836 11.1982 11.3236 11.9304 12.2765 12.6178 12.7190 13.0487 13.1934 13.3367 13.4570 13.6962 13.7552 14.4425 14.5813 14.8655 15.0406 k = 0.1125 0.0650-0.0000 ( 4468 PWs) bands (ev): -28.7089 -28.7089 -28.6837 -28.6837 -10.1399 -10.1374 -10.0259 -10.0231 -9.7691 -9.7663 -9.6759 -9.6757 -9.6351 -9.6350 -9.6155 -9.6128 -0.5044 -0.5020 0.5228 0.5322 5.4570 5.4610 5.6059 5.6120 5.8983 5.9434 5.9865 6.0504 6.2998 6.3766 6.4242 6.6231 6.9549 7.0132 7.2959 7.3094 7.3780 7.4403 7.8607 7.8666 8.2943 8.4015 9.9363 10.0021 10.8242 10.8412 11.0814 11.1847 11.8812 12.2002 12.6912 12.8414 12.9493 13.1650 13.3051 13.4522 13.7018 13.7487 14.4969 14.6469 14.9273 15.1492 k = 0.1250 0.0722-0.0000 ( 4468 PWs) bands (ev): -28.7088 -28.7088 -28.6837 -28.6836 -10.1397 -10.1370 -10.0267 -10.0237 -9.7694 -9.7663 -9.6771 -9.6768 -9.6357 -9.6356 -9.6157 -9.6128 -0.4806 -0.4780 0.5272 0.5377 5.4654 5.4708 5.6034 5.6120 5.9025 5.9388 5.9985 6.0574 6.2971 6.3762 6.4088 6.6117 6.9820 7.0320 7.2928 7.3105 7.3800 7.4486 7.8719 7.8807 8.2848 8.4092 9.8190 9.8912 10.7835 10.7971 10.9619 11.0460 11.8234 12.1109 12.7192 12.8271 12.9748 13.1432 13.3242 13.4624 13.7096 13.7463 14.5510 14.7058 14.9809 15.2381 k = 0.1375 0.0794-0.0000 ( 4462 PWs) bands (ev): -28.7087 -28.7087 -28.6836 -28.6836 -10.1394 -10.1365 -10.0275 -10.0243 -9.7697 -9.7664 -9.6783 -9.6780 -9.6364 -9.6363 -9.6160 -9.6129 -0.4547 -0.4518 0.5321 0.5435 5.4743 5.4812 5.6005 5.6121 5.9075 5.9345 6.0105 6.0648 6.2952 6.3699 6.4006 6.6011 7.0085 7.0498 7.2894 7.3118 7.3825 7.4573 7.8836 7.8961 8.2746 8.4181 9.7012 9.7808 10.7400 10.7466 10.8424 10.9123 11.7582 12.0129 12.7012 12.7291 13.0609 13.1246 13.3923 13.4972 13.7212 13.7479 14.6042 14.7584 15.0282 15.3024 k = 0.1500 0.0866-0.0000 ( 4456 PWs) bands (ev): -28.7086 -28.7086 -28.6835 -28.6835 -10.1391 -10.1360 -10.0284 -10.0249 -9.7700 -9.7665 -9.6796 -9.6792 -9.6371 -9.6370 -9.6162 -9.6129 -0.4266 -0.4234 0.5374 0.5497 5.4835 5.4920 5.5970 5.6125 5.9134 5.9304 6.0225 6.0725 6.2941 6.3580 6.3995 6.5912 7.0340 7.0665 7.2857 7.3135 7.3854 7.4665 7.8955 7.9126 8.2638 8.4285 9.5840 9.6725 10.6752 10.6788 10.7380 10.7985 11.6866 11.9092 12.6305 12.6518 13.1104 13.1157 13.4865 13.5642 13.7397 13.7535 14.6563 14.8056 15.0703 15.3437 k = 0.1625 0.0938-0.0000 ( 4448 PWs) bands (ev): -28.7085 -28.7085 -28.6835 -28.6835 -10.1388 -10.1355 -10.0293 -10.0256 -9.7703 -9.7666 -9.6810 -9.6805 -9.6378 -9.6378 -9.6164 -9.6130 -0.3966 -0.3930 0.5431 0.5563 5.4928 5.5029 5.5931 5.6134 5.9199 5.9267 6.0342 6.0807 6.2939 6.3447 6.4016 6.5822 7.0585 7.0820 7.2817 7.3155 7.3885 7.4762 7.9072 7.9300 8.2524 8.4406 9.4685 9.5676 10.5645 10.5705 10.6783 10.7231 11.6099 11.8024 12.5339 12.5852 13.0996 13.1391 13.5813 13.6580 13.7636 13.7743 14.7073 14.8483 15.1081 15.3551 k = 0.1750 0.1010-0.0000 ( 4440 PWs) bands (ev): -28.7085 -28.7084 -28.6834 -28.6834 -10.1384 -10.1349 -10.0302 -10.0264 -9.7707 -9.7667 -9.6825 -9.6819 -9.6386 -9.6385 -9.6166 -9.6131 -0.3647 -0.3608 0.5490 0.5631 5.5020 5.5135 5.5888 5.6151 5.9233 5.9272 6.0452 6.0894 6.2947 6.3320 6.4050 6.5740 7.0815 7.0961 7.2774 7.3178 7.3919 7.4863 7.9185 7.9475 8.2408 8.4545 9.3557 9.4672 10.4316 10.4460 10.6330 10.6694 11.5290 11.6941 12.4396 12.5098 13.0903 13.1418 13.6509 13.7531 13.7908 13.8413 14.7573 14.8871 15.1425 15.3377 k = 0.1875 0.1083-0.0000 ( 4440 PWs) bands (ev): -28.7084 -28.7084 -28.6833 -28.6833 -10.1380 -10.1344 -10.0312 -10.0273 -9.7710 -9.7669 -9.6841 -9.6834 -9.6394 -9.6394 -9.6168 -9.6132 -0.3310 -0.3268 0.5553 0.5701 5.5107 5.5232 5.5845 5.6183 5.9202 5.9352 6.0554 6.0985 6.2963 6.3208 6.4092 6.5668 7.1031 7.1088 7.2729 7.3204 7.3955 7.4967 7.9288 7.9642 8.2290 8.4703 9.2464 9.3725 10.2925 10.3186 10.5894 10.6218 11.4449 11.5856 12.3478 12.4303 13.0807 13.1324 13.6904 13.7827 13.8906 13.9396 14.8062 14.9226 15.1738 15.3101 k = 0.2000 0.1155-0.0000 ( 4432 PWs) bands (ev): -28.7083 -28.7082 -28.6833 -28.6832 -10.1376 -10.1339 -10.0322 -10.0281 -9.7713 -9.7670 -9.6856 -9.6849 -9.6403 -9.6402 -9.6169 -9.6134 -0.2958 -0.2911 0.5617 0.5774 5.5183 5.5311 5.5808 5.6234 5.9175 5.9438 6.0645 6.1082 6.2989 6.3114 6.4139 6.5605 7.1203 7.1232 7.2681 7.3232 7.3994 7.5076 7.9377 7.9790 8.2178 8.4877 9.1419 9.2849 10.1522 10.1905 10.5456 10.5758 11.3585 11.4778 12.2583 12.3489 13.0700 13.1159 13.7159 13.8012 14.0014 14.0492 14.8540 14.9550 15.2022 15.2839 k = 0.2125 0.1227-0.0000 ( 4444 PWs) bands (ev): -28.7082 -28.7082 -28.6832 -28.6832 -10.1372 -10.1334 -10.0333 -10.0291 -9.7717 -9.7673 -9.6873 -9.6864 -9.6412 -9.6411 -9.6171 -9.6135 -0.2591 -0.2540 0.5683 0.5847 5.5236 5.5367 5.5786 5.6311 5.9151 5.9530 6.0720 6.1183 6.3023 6.3040 6.4192 6.5549 7.1304 7.1415 7.2631 7.3263 7.4034 7.5188 7.9450 7.9901 8.2080 8.5059 9.0436 9.2054 10.0122 10.0626 10.5014 10.5302 11.2705 11.3714 12.1712 12.2671 13.0572 13.0947 13.7369 13.8207 14.1061 14.1571 14.9003 14.9845 15.2274 15.2630 k = 0.2250 0.1299-0.0000 ( 4440 PWs) bands (ev): -28.7081 -28.7080 -28.6831 -28.6831 -10.1368 -10.1329 -10.0343 -10.0300 -9.7720 -9.7675 -9.6889 -9.6880 -9.6421 -9.6420 -9.6172 -9.6137 -0.2211 -0.2156 0.5751 0.5921 5.5254 5.5397 5.5792 5.6415 5.9131 5.9627 6.0779 6.1287 6.2987 6.3065 6.4251 6.5502 7.1393 7.1582 7.2578 7.3296 7.4078 7.5302 7.9503 7.9957 8.2004 8.5233 8.9540 9.1353 9.8736 9.9359 10.4567 10.4846 11.1817 11.2667 12.0863 12.1856 13.0421 13.0705 13.7569 13.8418 14.2008 14.2573 14.9441 15.0108 15.2484 15.2491 k = 0.2375 0.1371-0.0000 ( 4446 PWs) bands (ev): -28.7080 -28.7079 -28.6831 -28.6830 -10.1364 -10.1325 -10.0353 -10.0310 -9.7723 -9.7677 -9.6906 -9.6895 -9.6430 -9.6429 -9.6174 -9.6138 -0.1819 -0.1760 0.5818 0.5996 5.5231 5.5401 5.5831 5.6545 5.9114 5.9729 6.0819 6.1394 6.2953 6.3115 6.4318 6.5463 7.1472 7.1731 7.2523 7.3330 7.4124 7.5419 7.9534 7.9940 8.1960 8.5361 8.8772 9.0756 9.7367 9.8110 10.4116 10.4391 11.0927 11.1641 12.0036 12.1048 13.0246 13.0440 13.7769 13.8641 14.2839 14.3461 14.9839 15.0335 15.2427 15.2643 k = 0.2500 0.1443-0.0000 ( 4442 PWs) bands (ev): -28.7079 -28.7078 -28.6830 -28.6830 -10.1359 -10.1320 -10.0364 -10.0321 -9.7726 -9.7680 -9.6922 -9.6911 -9.6439 -9.6437 -9.6175 -9.6140 -0.1418 -0.1354 0.5886 0.6069 5.5176 5.5382 5.5896 5.6696 5.9102 5.9835 6.0842 6.1502 6.2935 6.3172 6.4393 6.5430 7.1541 7.1862 7.2467 7.3365 7.4174 7.5537 7.9541 7.9846 8.1944 8.5371 8.8207 9.0270 9.6022 9.6886 10.3664 10.3935 11.0040 11.0640 11.9231 12.0251 13.0047 13.0160 13.7974 13.8873 14.3548 14.4222 15.0185 15.0522 15.2436 15.2756 k = 0.2625 0.1516-0.0000 ( 4444 PWs) bands (ev): -28.7078 -28.7077 -28.6829 -28.6829 -10.1355 -10.1315 -10.0374 -10.0331 -9.7729 -9.7682 -9.6939 -9.6927 -9.6448 -9.6446 -9.6176 -9.6142 -0.1008 -0.0940 0.5953 0.6141 5.5099 5.5346 5.5976 5.6862 5.9096 5.9943 6.0847 6.1610 6.2931 6.3234 6.4477 6.5404 7.1602 7.1975 7.2411 7.3400 7.4227 7.5655 7.9524 7.9681 8.1944 8.5182 8.7926 8.9895 9.4705 9.5700 10.3211 10.3482 10.9163 10.9665 11.8445 11.9467 12.9826 12.9869 13.8183 13.9111 14.4142 14.4856 15.0469 15.0666 15.2510 15.2840 k = 0.2750 0.1588-0.0000 ( 4442 PWs) bands (ev): -28.7077 -28.7076 -28.6829 -28.6828 -10.1350 -10.1311 -10.0385 -10.0342 -9.7731 -9.7685 -9.6955 -9.6943 -9.6456 -9.6454 -9.6177 -9.6143 -0.0593 -0.0520 0.6018 0.6211 5.5008 5.5293 5.6064 5.7040 5.9095 6.0053 6.0838 6.1716 6.2935 6.3301 6.4571 6.5384 7.1658 7.2067 7.2358 7.3434 7.4285 7.5772 7.9462 7.9482 8.1945 8.4796 8.7924 8.9621 9.3427 9.4567 10.2760 10.3034 10.8299 10.8720 11.7679 11.8695 12.9572 12.9588 13.8394 13.9348 14.4633 14.5375 15.0693 15.0769 15.2635 15.2921 k = 0.2875 0.1660-0.0000 ( 4432 PWs) bands (ev): -28.7075 -28.7075 -28.6828 -28.6827 -10.1345 -10.1306 -10.0395 -10.0352 -9.7733 -9.7688 -9.6971 -9.6959 -9.6465 -9.6463 -9.6177 -9.6145 -0.0174 -0.0096 0.6080 0.6278 5.4906 5.5226 5.6155 5.7224 5.9102 6.0163 6.0817 6.1819 6.2942 6.3372 6.4675 6.5370 7.1709 7.2133 7.2316 7.3467 7.4347 7.5888 7.9208 7.9418 8.1934 8.4306 8.8092 8.9418 9.2205 9.3518 10.2312 10.2592 10.7454 10.7806 11.6932 11.7937 12.9274 12.9337 13.8604 13.9581 14.5038 14.5800 15.0839 15.0865 15.2796 15.3011 k = 0.3000 0.1732-0.0000 ( 4450 PWs) bands (ev): -28.7075 -28.7074 -28.6827 -28.6827 -10.1341 -10.1303 -10.0405 -10.0363 -9.7736 -9.7691 -9.6987 -9.6974 -9.6474 -9.6471 -9.6178 -9.6147 0.0245 0.0329 0.6139 0.6341 5.4798 5.5146 5.6247 5.7411 5.9119 6.0272 6.0786 6.1916 6.2950 6.3443 6.4789 6.5363 7.1757 7.2151 7.2307 7.3498 7.4415 7.6001 7.8935 7.9331 8.1902 8.3798 8.8297 8.9223 9.1088 9.2608 10.1871 10.2159 10.6631 10.6924 11.6204 11.7193 12.8977 12.9076 13.8810 13.9804 14.5374 14.6152 15.0887 15.1000 15.2973 15.3114 k = 0.3125 0.1804-0.0000 ( 4450 PWs) bands (ev): -28.7074 -28.7073 -28.6827 -28.6826 -10.1337 -10.1300 -10.0414 -10.0373 -9.7738 -9.7694 -9.7001 -9.6989 -9.6482 -9.6480 -9.6178 -9.6148 0.0665 0.0755 0.6193 0.6398 5.4684 5.5055 5.6340 5.7597 5.9147 6.0379 6.0750 6.2007 6.2954 6.3512 6.4912 6.5363 7.1805 7.2123 7.2335 7.3526 7.4487 7.6110 7.8658 7.9226 8.1849 8.3313 8.8322 8.8927 9.0249 9.1935 10.1439 10.1738 10.5835 10.6078 11.5495 11.6465 12.8686 12.8811 13.9008 14.0014 14.5656 14.6449 15.0926 15.1116 15.3153 15.3227 k = 0.3250 0.1876-0.0000 ( 4458 PWs) bands (ev): -28.7073 -28.7073 -28.6826 -28.6826 -10.1332 -10.1296 -10.0423 -10.0384 -9.7740 -9.7698 -9.7016 -9.7003 -9.6490 -9.6488 -9.6179 -9.6150 0.1082 0.1177 0.6242 0.6450 5.4566 5.4951 5.6432 5.7777 5.9190 6.0482 6.0709 6.2091 6.2954 6.3575 6.5042 6.5372 7.1855 7.2081 7.2371 7.3550 7.4564 7.6213 7.8388 7.9105 8.1775 8.2872 8.7805 8.8424 9.0029 9.1594 10.1019 10.1331 10.5070 10.5269 11.4804 11.5752 12.8403 12.8547 13.9196 14.0204 14.5897 14.6706 15.0966 15.1227 15.3324 15.3341 k = 0.3375 0.1949-0.0000 ( 4458 PWs) bands (ev): -28.7072 -28.7072 -28.6825 -28.6825 -10.1328 -10.1294 -10.0431 -10.0394 -9.7742 -9.7701 -9.7029 -9.7017 -9.6498 -9.6495 -9.6179 -9.6152 0.1493 0.1595 0.6284 0.6495 5.4446 5.4838 5.6523 5.7944 5.9254 6.0578 6.0668 6.2165 6.2948 6.3627 6.5179 6.5394 7.1907 7.2040 7.2404 7.3571 7.4646 7.6310 7.8135 7.8974 8.1684 8.2481 8.6894 8.7725 9.0267 9.1562 10.0612 10.0942 10.4339 10.4499 11.4135 11.5056 12.8131 12.8286 13.9370 14.0373 14.6106 14.6930 15.1016 15.1342 15.3451 15.3481 k = 0.3500 0.2021-0.0000 ( 4452 PWs) bands (ev): -28.7071 -28.7071 -28.6825 -28.6824 -10.1324 -10.1290 -10.0440 -10.0404 -9.7743 -9.7703 -9.7042 -9.7030 -9.6504 -9.6502 -9.6179 -9.6154 0.1898 0.2005 0.6319 0.6531 5.4323 5.4714 5.6615 5.8090 5.9342 6.0630 6.0668 6.2231 6.2938 6.3663 6.5319 6.5430 7.1963 7.2007 7.2434 7.3587 7.4730 7.6398 7.7903 7.8836 8.1579 8.2140 8.5892 8.6925 9.0656 9.1731 10.0224 10.0574 10.3645 10.3771 11.3486 11.4379 12.7873 12.8033 13.9531 14.0517 14.6293 14.7126 15.1083 15.1467 15.3551 15.3618 k = 0.3625 0.2093-0.0000 ( 4448 PWs) bands (ev): -28.7070 -28.7070 -28.6824 -28.6824 -10.1319 -10.1288 -10.0447 -10.0414 -9.7744 -9.7707 -9.7054 -9.7042 -9.6511 -9.6509 -9.6179 -9.6155 0.2292 0.2406 0.6346 0.6559 5.4200 5.4583 5.6706 5.8207 5.9461 6.0597 6.0749 6.2289 6.2923 6.3678 6.5461 6.5483 7.1986 7.2024 7.2463 7.3598 7.4816 7.6477 7.7696 7.8694 8.1463 8.1844 8.4898 8.6100 9.1094 9.2014 9.9856 10.0229 10.2992 10.3086 11.2862 11.3720 12.7630 12.7790 13.9675 14.0633 14.6462 14.7295 15.1172 15.1606 15.3639 15.3735 k = 0.3750 0.2165-0.0000 ( 4452 PWs) bands (ev): -28.7069 -28.7069 -28.6824 -28.6823 -10.1315 -10.1286 -10.0454 -10.0423 -9.7745 -9.7710 -9.7065 -9.7054 -9.6517 -9.6515 -9.6179 -9.6157 0.2674 0.2794 0.6363 0.6576 5.4077 5.4445 5.6798 5.8290 5.9613 6.0572 6.0819 6.2338 6.2905 6.3667 6.5554 6.5601 7.1980 7.2091 7.2493 7.3603 7.4902 7.6547 7.7514 7.8549 8.1339 8.1589 8.3947 8.5293 9.1548 9.2361 9.9513 9.9911 10.2382 10.2446 11.2264 11.3084 12.7405 12.7561 13.9804 14.0722 14.6617 14.7438 15.1286 15.1758 15.3714 15.3830 k = 0.3875 0.2237-0.0000 ( 4448 PWs) bands (ev): -28.7069 -28.7068 -28.6823 -28.6823 -10.1311 -10.1284 -10.0460 -10.0431 -9.7745 -9.7713 -9.7075 -9.7065 -9.6523 -9.6521 -9.6178 -9.6159 0.3042 0.3168 0.6370 0.6582 5.3957 5.4304 5.6891 5.8338 5.9796 6.0560 6.0877 6.2380 6.2883 6.3629 6.5642 6.5739 7.1991 7.2163 7.2526 7.3604 7.4984 7.6606 7.7358 7.8397 8.1207 8.1368 8.3062 8.4528 9.2000 9.2741 9.9199 9.9622 10.1819 10.1855 11.1696 11.2473 12.7199 12.7347 13.9916 14.0782 14.6763 14.7555 15.1426 15.1920 15.3778 15.3907 k = 0.4000 0.2309-0.0000 ( 4448 PWs) bands (ev): -28.7068 -28.7068 -28.6823 -28.6822 -10.1307 -10.1283 -10.0465 -10.0440 -9.7745 -9.7716 -9.7084 -9.7075 -9.6528 -9.6526 -9.6178 -9.6160 0.3392 0.3524 0.6365 0.6575 5.3842 5.4162 5.6986 5.8353 6.0003 6.0563 6.0923 6.2417 6.2860 6.3561 6.5745 6.5870 7.2022 7.2239 7.2566 7.3601 7.5062 7.6655 7.7226 7.8225 8.1068 8.1174 8.2266 8.3820 9.2439 9.3129 9.8921 9.9365 10.1304 10.1313 11.1163 11.1891 12.7014 12.7151 14.0015 14.0816 14.6899 14.7645 15.1588 15.2089 15.3831 15.3967 k = 0.4125 0.2382-0.0000 ( 4448 PWs) bands (ev): -28.7067 -28.7067 -28.6822 -28.6822 -10.1304 -10.1282 -10.0470 -10.0447 -9.7745 -9.7719 -9.7092 -9.7084 -9.6532 -9.6530 -9.6177 -9.6162 0.3724 0.3860 0.6348 0.6555 5.3735 5.4023 5.7082 5.8339 6.0223 6.0588 6.0955 6.2449 6.2836 6.3465 6.5857 6.5993 7.2074 7.2318 7.2614 7.3593 7.5131 7.6695 7.7118 7.8019 8.0923 8.0992 8.1596 8.3181 9.2855 9.3507 9.8683 9.9143 10.0823 10.0840 11.0672 11.1342 12.6850 12.6974 14.0100 14.0826 14.7026 14.7711 15.1767 15.2257 15.3876 15.4013 k = 0.4250 0.2454-0.0000 ( 4462 PWs) bands (ev): -28.7067 -28.7067 -28.6822 -28.6822 -10.1301 -10.1282 -10.0474 -10.0454 -9.7745 -9.7722 -9.7100 -9.7092 -9.6536 -9.6535 -9.6177 -9.6164 0.4034 0.4174 0.6318 0.6520 5.3637 5.3890 5.7180 5.8301 6.0424 6.0660 6.0973 6.2478 6.2811 6.3342 6.5972 6.6105 7.2145 7.2396 7.2673 7.3582 7.5192 7.6727 7.7030 7.7758 8.0759 8.0771 8.1135 8.2620 9.3241 9.3856 9.8492 9.8956 10.0387 10.0426 11.0228 11.0833 12.6707 12.6817 14.0176 14.0816 14.7145 14.7754 15.1956 15.2417 15.3916 15.4049 k = 0.4375 0.2526-0.0000 ( 4454 PWs) bands (ev): -28.7066 -28.7066 -28.6821 -28.6821 -10.1298 -10.1282 -10.0477 -10.0460 -9.7744 -9.7725 -9.7105 -9.7099 -9.6540 -9.6538 -9.6176 -9.6165 0.4321 0.4463 0.6277 0.6471 5.3552 5.3767 5.7280 5.8245 6.0545 6.0834 6.0978 6.2505 6.2785 6.3194 6.6085 6.6203 7.2231 7.2469 7.2747 7.3568 7.5242 7.6751 7.6963 7.7435 8.0441 8.0611 8.0934 8.2145 9.3590 9.4159 9.8358 9.8807 10.0007 10.0062 10.9842 11.0371 12.6588 12.6682 14.0243 14.0790 14.7256 14.7777 15.2146 15.2561 15.3953 15.4077 k = 0.4500 0.2598-0.0000 ( 4446 PWs) bands (ev): -28.7066 -28.7066 -28.6821 -28.6821 -10.1295 -10.1282 -10.0479 -10.0465 -9.7743 -9.7728 -9.7110 -9.7104 -9.6542 -9.6541 -9.6175 -9.6166 0.4581 0.4721 0.6226 0.6408 5.3482 5.3657 5.7382 5.8173 6.0612 6.0969 6.1077 6.2531 6.2759 6.3023 6.6188 6.6287 7.2326 7.2533 7.2839 7.3550 7.5288 7.6760 7.6914 7.7068 8.0178 8.0447 8.0846 8.1758 9.3896 9.4401 9.8283 9.8693 9.9684 9.9748 10.9520 10.9963 12.6492 12.6568 14.0305 14.0751 14.7357 14.7783 15.2327 15.2681 15.3990 15.4097 k = 0.4625 0.2670-0.0000 ( 4452 PWs) bands (ev): -28.7066 -28.7066 -28.6821 -28.6821 -10.1292 -10.1282 -10.0480 -10.0470 -9.7742 -9.7730 -9.7113 -9.7109 -9.6545 -9.6544 -9.6175 -9.6168 0.4810 0.4942 0.6169 0.6333 5.3430 5.3562 5.7486 5.8090 6.0669 6.0948 6.1339 6.2553 6.2732 6.2834 6.6277 6.6352 7.2418 7.2581 7.2953 7.3526 7.5336 7.6616 7.6831 7.6880 8.0011 8.0285 8.0810 8.1454 9.4156 9.4570 9.8270 9.8613 9.9420 9.9482 10.9273 10.9617 12.6419 12.6477 14.0364 14.0703 14.7448 14.7772 15.2489 15.2768 15.4026 15.4111 k = 0.4750 0.2742-0.0000 ( 4452 PWs) bands (ev): -28.7066 -28.7066 -28.6821 -28.6821 -10.1290 -10.1283 -10.0481 -10.0474 -9.7740 -9.7732 -9.7116 -9.7113 -9.6546 -9.6545 -9.6174 -9.6169 0.5003 0.5113 0.6118 0.6250 5.3397 5.3486 5.7590 5.7998 6.0725 6.0917 6.1606 6.2543 6.2657 6.2706 6.6347 6.6397 7.2497 7.2609 7.3084 7.3488 7.5404 7.6258 7.6823 7.6859 7.9925 8.0138 8.0813 8.1224 9.4367 9.4662 9.8310 9.8559 9.9221 9.9267 10.9108 10.9344 12.6370 12.6409 14.0421 14.0649 14.7529 14.7747 15.2626 15.2818 15.4059 15.4118 k = 0.4875 0.2815-0.0000 ( 4454 PWs) bands (ev): -28.7065 -28.7065 -28.6821 -28.6821 -10.1287 -10.1284 -10.0481 -10.0477 -9.7739 -9.7735 -9.7117 -9.7116 -9.6547 -9.6546 -9.6173 -9.6171 0.5148 0.5214 0.6092 0.6169 5.3386 5.3431 5.7695 5.7900 6.0779 6.0877 6.1869 6.2363 6.2632 6.2679 6.6395 6.6420 7.2558 7.2615 7.3218 7.3428 7.5513 7.5936 7.6829 7.6845 7.9904 8.0019 8.0854 8.1054 9.4527 9.4681 9.8383 9.8516 9.9093 9.9116 10.9031 10.9151 12.6344 12.6364 14.0478 14.0592 14.7600 14.7710 15.2731 15.2828 15.4087 15.4117 k = 0.5000 0.2887-0.0000 ( 4462 PWs) bands (ev): -28.7065 -28.7065 -28.6821 -28.6821 -10.1286 -10.1286 -10.0480 -10.0480 -9.7737 -9.7737 -9.7117 -9.7117 -9.6547 -9.6547 -9.6172 -9.6172 0.5225 0.5225 0.6110 0.6110 5.3398 5.3398 5.7798 5.7798 6.0830 6.0830 6.2123 6.2123 6.2654 6.2654 6.6420 6.6420 7.2597 7.2597 7.3337 7.3337 7.5686 7.5686 7.6836 7.6836 7.9938 7.9938 8.0933 8.0933 9.4634 9.4634 9.8460 9.8460 9.9054 9.9054 10.9046 10.9046 12.6342 12.6342 14.0535 14.0535 14.7660 14.7660 15.2799 15.2799 15.4107 15.4107 k = 0.5000 0.2887-0.0000 ( 4462 PWs) bands (ev): -28.7065 -28.7065 -28.6821 -28.6821 -10.1286 -10.1286 -10.0480 -10.0480 -9.7737 -9.7737 -9.7117 -9.7117 -9.6547 -9.6547 -9.6172 -9.6172 0.5225 0.5225 0.6110 0.6110 5.3398 5.3398 5.7798 5.7798 6.0830 6.0830 6.2123 6.2123 6.2654 6.2654 6.6420 6.6420 7.2597 7.2597 7.3337 7.3337 7.5686 7.5686 7.6836 7.6836 7.9938 7.9938 8.0933 8.0933 9.4634 9.4634 9.8460 9.8460 9.9054 9.9054 10.9046 10.9046 12.6342 12.6342 14.0535 14.0535 14.7660 14.7660 15.2799 15.2799 15.4107 15.4107 k = 0.4928 0.3012-0.0000 ( 4454 PWs) bands (ev): -28.7065 -28.7065 -28.6821 -28.6821 -10.1286 -10.1285 -10.0480 -10.0479 -9.7737 -9.7736 -9.7118 -9.7117 -9.6547 -9.6547 -9.6173 -9.6171 0.5224 0.5233 0.6111 0.6116 5.3393 5.3430 5.7788 5.7814 6.0802 6.0869 6.1983 6.2259 6.2604 6.2702 6.6294 6.6547 7.2450 7.2674 7.3334 7.3394 7.5650 7.5716 7.6790 7.6877 7.9875 8.0012 8.0872 8.0992 9.4157 9.5056 9.8007 9.8802 9.8882 9.9209 10.8931 10.9150 12.6347 12.6528 14.0483 14.0618 14.7618 14.7696 15.2548 15.3014 15.3915 15.4346 k = 0.4855 0.3138-0.0000 ( 4452 PWs) bands (ev): -28.7065 -28.7065 -28.6821 -28.6821 -10.1287 -10.1284 -10.0481 -10.0478 -9.7738 -9.7736 -9.7118 -9.7117 -9.6548 -9.6547 -9.6174 -9.6171 0.5230 0.5249 0.6118 0.6128 5.3416 5.3489 5.7783 5.7836 6.0784 6.0917 6.1840 6.2384 6.2559 6.2748 6.6170 6.6673 7.2264 7.2658 7.3405 7.3473 7.5609 7.5740 7.6737 7.6913 7.9824 8.0096 8.0807 8.1047 9.3624 9.5421 9.7455 9.8694 9.9012 9.9371 10.8807 10.9240 12.6542 12.6896 14.0462 14.0732 14.7566 14.7724 15.2295 15.3111 15.3854 15.4600 k = 0.4783 0.3263-0.0000 ( 4452 PWs) bands (ev): -28.7065 -28.7065 -28.6821 -28.6821 -10.1287 -10.1283 -10.0482 -10.0478 -9.7738 -9.7735 -9.7120 -9.7118 -9.6548 -9.6548 -9.6175 -9.6171 0.5244 0.5273 0.6132 0.6147 5.3464 5.3576 5.7784 5.7863 6.0776 6.0975 6.1695 6.2440 6.2575 6.2790 6.6051 6.6797 7.2056 7.2572 7.3529 7.3559 7.5563 7.5756 7.6678 7.6944 7.9785 8.0187 8.0742 8.1100 9.3030 9.5689 9.6854 9.8500 9.9078 9.9562 10.8677 10.9315 12.6915 12.7430 14.0471 14.0877 14.7505 14.7746 15.2054 15.3030 15.3982 15.4857 k = 0.4710 0.3389-0.0000 ( 4452 PWs) bands (ev): -28.7065 -28.7065 -28.6821 -28.6821 -10.1287 -10.1283 -10.0482 -10.0478 -9.7738 -9.7735 -9.7122 -9.7119 -9.6549 -9.6549 -9.6176 -9.6171 0.5264 0.5303 0.6152 0.6172 5.3538 5.3691 5.7789 5.7896 6.0777 6.1041 6.1552 6.2399 6.2681 6.2828 6.5936 6.6917 7.1833 7.2446 7.3645 7.3674 7.5514 7.5764 7.6614 7.6973 7.9756 8.0278 8.0681 8.1149 9.2374 9.5584 9.6492 9.8312 9.9044 9.9757 10.8539 10.9371 12.7448 12.8109 14.0509 14.1053 14.7434 14.7762 15.1832 15.2863 15.4209 15.5110 k = 0.4638 0.3514-0.0000 ( 4456 PWs) bands (ev): -28.7065 -28.7065 -28.6820 -28.6820 -10.1287 -10.1282 -10.0483 -10.0478 -9.7738 -9.7734 -9.7124 -9.7121 -9.6551 -9.6550 -9.6178 -9.6172 0.5292 0.5340 0.6177 0.6202 5.3636 5.3831 5.7800 5.7934 6.0788 6.1113 6.1414 6.2339 6.2801 6.2863 6.5827 6.7032 7.1600 7.2297 7.3729 7.3825 7.5461 7.5762 7.6546 7.7002 7.9737 8.0345 8.0644 8.1196 9.1655 9.4890 9.6599 9.8141 9.8947 9.9939 10.8397 10.9405 12.8117 12.8907 14.0573 14.1257 14.7351 14.7771 15.1635 15.2683 15.4465 15.5354 k = 0.4565 0.3640-0.0000 ( 4456 PWs) bands (ev): -28.7065 -28.7065 -28.6820 -28.6820 -10.1287 -10.1281 -10.0484 -10.0478 -9.7738 -9.7733 -9.7126 -9.7123 -9.6552 -9.6551 -9.6181 -9.6173 0.5326 0.5384 0.6207 0.6238 5.3755 5.3996 5.7816 5.7978 6.0808 6.1157 6.1315 6.2275 6.2894 6.2918 6.5726 6.7139 7.1358 7.2132 7.3809 7.3972 7.5404 7.5752 7.6474 7.7032 7.9726 8.0347 8.0672 8.1241 9.0877 9.3999 9.6789 9.8010 9.8811 10.0106 10.8249 10.9415 12.8897 12.9801 14.0663 14.1489 14.7257 14.7773 15.1466 15.2516 15.4724 15.5587 k = 0.4493 0.3765-0.0000 ( 4456 PWs) bands (ev): -28.7065 -28.7065 -28.6820 -28.6820 -10.1287 -10.1280 -10.0485 -10.0478 -9.7737 -9.7732 -9.7129 -9.7125 -9.6554 -9.6553 -9.6183 -9.6174 0.5367 0.5434 0.6243 0.6278 5.3894 5.4185 5.7838 5.8027 6.0837 6.1078 6.1352 6.2209 6.2922 6.3030 6.5634 6.7238 7.1109 7.1956 7.3887 7.4110 7.5345 7.5733 7.6399 7.7065 7.9721 8.0281 8.0764 8.1283 9.0049 9.3035 9.6923 9.7959 9.8652 10.0256 10.8097 10.9398 12.9760 13.0764 14.0774 14.1745 14.7154 14.7767 15.1328 15.2373 15.4980 15.5807 k = 0.4420 0.3891-0.0000 ( 4454 PWs) bands (ev): -28.7065 -28.7065 -28.6820 -28.6820 -10.1286 -10.1279 -10.0486 -10.0478 -9.7737 -9.7731 -9.7132 -9.7128 -9.6556 -9.6555 -9.6185 -9.6175 0.5413 0.5490 0.6282 0.6322 5.4048 5.4394 5.7867 5.8081 6.0875 6.0950 6.1452 6.2142 6.2947 6.3137 6.5554 6.7326 7.0856 7.1770 7.3962 7.4236 7.5283 7.5710 7.6322 7.7102 7.9719 8.0183 8.0882 8.1323 8.9181 9.2037 9.6949 9.8026 9.8483 10.0392 10.7941 10.9352 13.0681 13.1774 14.0905 14.2024 14.7042 14.7752 15.1220 15.2261 15.5228 15.6013 k = 0.4348 0.4016-0.0000 ( 4454 PWs) bands (ev): -28.7065 -28.7064 -28.6820 -28.6820 -10.1286 -10.1278 -10.0487 -10.0478 -9.7737 -9.7730 -9.7135 -9.7131 -9.6559 -9.6557 -9.6187 -9.6177 0.5465 0.5552 0.6324 0.6368 5.4215 5.4623 5.7902 5.8138 6.0820 6.0921 6.1570 6.2076 6.2969 6.3236 6.5485 6.7401 7.0598 7.1577 7.4034 7.4345 7.5219 7.5685 7.6245 7.7142 7.9717 8.0065 8.1010 8.1362 8.8286 9.1028 9.6880 9.8199 9.8311 10.0514 10.7780 10.9275 13.1635 13.2809 14.1051 14.2322 14.6922 14.7727 15.1143 15.2185 15.5467 15.6205 k = 0.4275 0.4142-0.0000 ( 4466 PWs) bands (ev): -28.7064 -28.7064 -28.6820 -28.6820 -10.1286 -10.1277 -10.0488 -10.0479 -9.7737 -9.7729 -9.7139 -9.7134 -9.6561 -9.6560 -9.6189 -9.6179 0.5522 0.5618 0.6368 0.6417 5.4389 5.4866 5.7945 5.8199 6.0696 6.0976 6.1700 6.2013 6.2988 6.3326 6.5432 6.7461 7.0337 7.1375 7.4103 7.4429 7.5155 7.5667 7.6167 7.7187 7.9713 7.9929 8.1143 8.1399 8.7380 9.0026 9.6764 9.8142 9.8433 10.0626 10.7616 10.9166 13.2602 13.3849 14.1208 14.2634 14.6798 14.7689 15.1095 15.2147 15.5700 15.6383 k = 0.4203 0.4267-0.0000 ( 4462 PWs) bands (ev): -28.7064 -28.7064 -28.6820 -28.6820 -10.1285 -10.1276 -10.0489 -10.0480 -9.7736 -9.7729 -9.7142 -9.7138 -9.6563 -9.6562 -9.6191 -9.6181 0.5583 0.5689 0.6413 0.6467 5.4567 5.5122 5.7998 5.8263 6.0580 6.1038 6.1840 6.1952 6.3006 6.3407 6.5395 6.7505 7.0076 7.1166 7.4168 7.4483 7.5093 7.5662 7.6090 7.7236 7.9703 7.9777 8.1276 8.1436 8.6477 8.9050 9.6631 9.7977 9.8699 10.0730 10.7447 10.9023 13.3564 13.4879 14.1371 14.2955 14.6671 14.7639 15.1076 15.2151 15.5926 15.6546 k = 0.4130 0.4393-0.0000 ( 4466 PWs) bands (ev): -28.7064 -28.7064 -28.6820 -28.6819 -10.1284 -10.1275 -10.0490 -10.0481 -9.7736 -9.7728 -9.7145 -9.7141 -9.6566 -9.6565 -9.6193 -9.6183 0.5647 0.5764 0.6458 0.6516 5.4742 5.5384 5.8060 5.8330 6.0477 6.1110 6.1896 6.1989 6.3021 6.3475 6.5378 6.7530 6.9814 7.0949 7.4227 7.4499 7.5035 7.5679 7.6015 7.7289 7.9608 7.9685 8.1408 8.1471 8.5596 8.8113 9.6498 9.7818 9.8984 10.0828 10.7275 10.8847 13.4503 13.5882 14.1535 14.3279 14.6543 14.7574 15.1086 15.2198 15.6149 15.6690 k = 0.4058 0.4518-0.0000 ( 4470 PWs) bands (ev): -28.7064 -28.7064 -28.6819 -28.6819 -10.1283 -10.1274 -10.0491 -10.0482 -9.7735 -9.7727 -9.7149 -9.7145 -9.6568 -9.6567 -9.6195 -9.6184 0.5715 0.5841 0.6503 0.6563 5.4909 5.5646 5.8134 5.8398 6.0389 6.1188 6.1847 6.2146 6.3036 6.3528 6.5383 6.7536 6.9555 7.0724 7.4274 7.4477 7.4986 7.5720 7.5944 7.7345 7.9420 7.9652 8.1506 8.1536 8.4752 8.7232 9.6372 9.7663 9.9284 10.0923 10.7099 10.8638 13.5405 13.6845 14.1695 14.3597 14.6416 14.7495 15.1124 15.2289 15.6371 15.6802 k = 0.3986 0.4644-0.0000 ( 4476 PWs) bands (ev): -28.7064 -28.7064 -28.6819 -28.6819 -10.1283 -10.1274 -10.0492 -10.0483 -9.7735 -9.7727 -9.7152 -9.7149 -9.6571 -9.6570 -9.6197 -9.6187 0.5784 0.5921 0.6544 0.6608 5.5063 5.5903 5.8217 5.8468 6.0320 6.1270 6.1812 6.2308 6.3051 6.3566 6.5411 6.7520 6.9300 7.0488 7.4303 7.4420 7.4949 7.5784 7.5880 7.7403 7.9214 7.9601 8.1540 8.1660 8.3965 8.6418 9.6259 9.7512 9.9594 10.1019 10.6921 10.8397 13.6260 13.7758 14.1846 14.3897 14.6295 14.7402 15.1194 15.2425 15.6594 15.6848 k = 0.3913 0.4769-0.0000 ( 4466 PWs) bands (ev): -28.7063 -28.7063 -28.6819 -28.6819 -10.1282 -10.1273 -10.0492 -10.0483 -9.7734 -9.7726 -9.7155 -9.7152 -9.6573 -9.6572 -9.6198 -9.6188 0.5855 0.6003 0.6583 0.6649 5.5199 5.6146 5.8308 5.8540 6.0274 6.1345 6.1803 6.2470 6.3067 6.3586 6.5464 6.7483 6.9053 7.0241 7.4309 7.4337 7.4927 7.5829 7.5866 7.7463 7.8993 7.9524 8.1573 8.1776 8.3254 8.5681 9.6161 9.7363 9.9914 10.1116 10.6742 10.8126 13.7057 13.8612 14.1982 14.4163 14.6186 14.7297 15.1298 15.2606 15.6767 15.6816 k = 0.3841 0.4895-0.0000 ( 4456 PWs) bands (ev): -28.7063 -28.7063 -28.6819 -28.6819 -10.1280 -10.1272 -10.0493 -10.0484 -9.7733 -9.7726 -9.7158 -9.7155 -9.6575 -9.6574 -9.6199 -9.6190 0.5926 0.6085 0.6617 0.6684 5.5316 5.6368 5.8405 5.8612 6.0253 6.1389 6.1843 6.2628 6.3087 6.3588 6.5540 6.7425 6.8815 6.9981 7.4237 7.4292 7.4913 7.5800 7.5959 7.7522 7.8760 7.9415 8.1603 8.1882 8.2639 8.5029 9.6083 9.7217 10.0242 10.1218 10.6563 10.7829 13.7788 13.9399 14.2098 14.4374 14.6103 14.7182 15.1438 15.2829 15.6537 15.7020 k = 0.3768 0.5020-0.0000 ( 4450 PWs) bands (ev): -28.7063 -28.7063 -28.6819 -28.6819 -10.1279 -10.1271 -10.0493 -10.0486 -9.7732 -9.7725 -9.7161 -9.7158 -9.6577 -9.6576 -9.6201 -9.6192 0.5996 0.6168 0.6644 0.6711 5.5411 5.6560 5.8502 5.8684 6.0260 6.1388 6.1948 6.2771 6.3115 6.3574 6.5640 6.7347 6.8594 6.9709 7.4133 7.4255 7.4895 7.5801 7.6056 7.7578 7.8521 7.9270 8.1620 8.1977 8.2146 8.4466 9.6025 9.7071 10.0573 10.1323 10.6389 10.7509 13.8446 14.0114 14.2190 14.4505 14.6062 14.7061 15.1617 15.3092 15.6222 15.7061 k = 0.3696 0.5146-0.0000 ( 4442 PWs) bands (ev): -28.7063 -28.7063 -28.6818 -28.6818 -10.1278 -10.1271 -10.0494 -10.0487 -9.7731 -9.7725 -9.7163 -9.7161 -9.6579 -9.6577 -9.6201 -9.6194 0.6064 0.6250 0.6665 0.6730 5.5486 5.6719 5.8596 5.8754 6.0298 6.1351 6.2108 6.2884 6.3159 6.3542 6.5760 6.7251 6.8397 6.9428 7.4032 7.4204 7.4862 7.5841 7.6152 7.7629 7.8288 7.9094 8.1560 8.1845 8.2057 8.3992 9.5991 9.6927 10.0905 10.1429 10.6224 10.7174 13.9024 14.0752 14.2258 14.4536 14.6076 14.6938 15.1835 15.3391 15.5880 15.6798 k = 0.3623 0.5271-0.0000 ( 4448 PWs) bands (ev): -28.7063 -28.7063 -28.6818 -28.6818 -10.1277 -10.1271 -10.0494 -10.0488 -9.7731 -9.7725 -9.7165 -9.7164 -9.6580 -9.6579 -9.6202 -9.6196 0.6128 0.6330 0.6677 0.6738 5.5541 5.6841 5.8681 5.8816 6.0367 6.1289 6.2304 6.2957 6.3218 6.3494 6.5898 6.7139 6.8236 6.9143 7.3945 7.4146 7.4813 7.5917 7.6240 7.7667 7.8069 7.8904 8.1357 8.1797 8.2115 8.3609 9.5982 9.6784 10.1228 10.1534 10.6076 10.6832 13.9515 14.1307 14.2303 14.4476 14.6139 14.6818 15.2085 15.3720 15.5541 15.6467 k = 0.3551 0.5397-0.0000 ( 4438 PWs) bands (ev): -28.7062 -28.7062 -28.6818 -28.6818 -10.1275 -10.1271 -10.0494 -10.0489 -9.7730 -9.7725 -9.7167 -9.7165 -9.6581 -9.6580 -9.6202 -9.6197 0.6187 0.6408 0.6681 0.6734 5.5579 5.6929 5.8755 5.8865 6.0463 6.1209 6.2522 6.2997 6.3273 6.3432 6.6050 6.7012 6.8124 6.8863 7.3880 7.4084 7.4755 7.6019 7.6311 7.7683 7.7877 7.8731 8.1175 8.1824 8.2143 8.3319 9.6001 9.6643 10.1531 10.1631 10.5952 10.6500 13.9910 14.1771 14.2329 14.4352 14.6228 14.6708 15.2353 15.4069 15.5230 15.6138 k = 0.3478 0.5522-0.0000 ( 4440 PWs) bands (ev): -28.7062 -28.7062 -28.6818 -28.6818 -10.1274 -10.1271 -10.0494 -10.0490 -9.7729 -9.7726 -9.7168 -9.7167 -9.6583 -9.6581 -9.6202 -9.6198 0.6236 0.6481 0.6678 0.6717 5.5603 5.6985 5.8815 5.8897 6.0583 6.1111 6.2748 6.3021 6.3298 6.3355 6.6213 6.6869 6.8078 6.8603 7.3845 7.4020 7.4700 7.6134 7.6357 7.7670 7.7725 7.8606 8.1055 8.1869 8.2132 8.3125 9.6050 9.6505 10.1711 10.1791 10.5863 10.6200 14.0199 14.2128 14.2347 14.4207 14.6320 14.6611 15.2608 15.4414 15.4975 15.5831 k = 0.3406 0.5648-0.0000 ( 4437 PWs) bands (ev): -28.7062 -28.7062 -28.6818 -28.6818 -10.1273 -10.1272 -10.0493 -10.0491 -9.7728 -9.7726 -9.7169 -9.7168 -9.6583 -9.6581 -9.6202 -9.6200 0.6271 0.6548 0.6671 0.6687 5.5616 5.7016 5.8861 5.8907 6.0718 6.0996 6.2967 6.3036 6.3267 6.3279 6.6382 6.6714 6.8107 6.8379 7.3846 7.3955 7.4660 7.6243 7.6364 7.7629 7.7637 7.8542 8.0990 8.1927 8.2080 8.3023 9.6129 9.6370 10.1765 10.1977 10.5824 10.5967 14.0372 14.2348 14.2368 14.4089 14.6402 14.6531 15.2800 15.4701 15.4817 15.5582 k = 0.3333 0.5774-0.0000 ( 4425 PWs) bands (ev): -28.7062 -28.7062 -28.6818 -28.6818 -10.1272 -10.1272 -10.0492 -10.0492 -9.7727 -9.7727 -9.7168 -9.7167 -9.6583 -9.6582 -9.6200 -9.6200 0.6285 0.6588 0.6664 0.6664 5.5620 5.7025 5.8894 5.8894 6.0861 6.0861 6.3043 6.3118 6.3216 6.3216 6.6551 6.6551 6.8209 6.8209 7.3889 7.3889 7.4645 7.6325 7.6325 7.7607 7.7607 7.8526 8.0969 8.2001 8.2001 8.2994 9.6240 9.6240 10.1785 10.2047 10.5845 10.5845 14.0429 14.2400 14.2400 14.4044 14.6467 14.6467 15.2872 15.4795 15.4795 15.5483 k = 0.3333 0.5774-0.0000 ( 4425 PWs) bands (ev): -28.7062 -28.7062 -28.6818 -28.6818 -10.1272 -10.1272 -10.0492 -10.0492 -9.7727 -9.7727 -9.7168 -9.7167 -9.6583 -9.6582 -9.6200 -9.6200 0.6285 0.6588 0.6664 0.6664 5.5620 5.7025 5.8894 5.8894 6.0861 6.0861 6.3043 6.3118 6.3216 6.3216 6.6551 6.6551 6.8209 6.8209 7.3889 7.3889 7.4645 7.6325 7.6325 7.7607 7.7607 7.8526 8.0969 8.2001 8.2001 8.2994 9.6240 9.6240 10.1785 10.2047 10.5845 10.5845 14.0429 14.2400 14.2400 14.4044 14.6467 14.6467 15.2872 15.4795 15.4795 15.5483 k = 0.3261 0.5648-0.0000 ( 4431 PWs) bands (ev): -28.7062 -28.7062 -28.6818 -28.6818 -10.1273 -10.1272 -10.0493 -10.0491 -9.7728 -9.7726 -9.7168 -9.7168 -9.6583 -9.6581 -9.6201 -9.6199 0.6269 0.6544 0.6664 0.6699 5.5617 5.7017 5.8856 5.8913 6.0707 6.1005 6.3024 6.3030 6.3135 6.3362 6.6383 6.6712 6.8111 6.8375 7.3825 7.3978 7.4662 7.6241 7.6367 7.7602 7.7669 7.8534 8.0987 8.1919 8.2098 8.3016 9.6114 9.6385 10.1765 10.1969 10.5867 10.5934 14.0378 14.2285 14.2440 14.4082 14.6420 14.6512 15.2807 15.4649 15.4895 15.5523 k = 0.3188 0.5522-0.0000 ( 4441 PWs) bands (ev): -28.7062 -28.7062 -28.6818 -28.6818 -10.1275 -10.1271 -10.0494 -10.0490 -9.7729 -9.7726 -9.7168 -9.7167 -9.6583 -9.6581 -9.6202 -9.6198 0.6218 0.6459 0.6674 0.6751 5.5608 5.6993 5.8794 5.8919 6.0533 6.1142 6.2908 6.2926 6.3102 6.3497 6.6216 6.6858 6.8095 6.8587 7.3765 7.4113 7.4713 7.6123 7.6374 7.7627 7.7810 7.8546 8.1035 8.1850 8.2229 8.3074 9.5991 9.6564 10.1706 10.1739 10.6041 10.6097 14.0239 14.2049 14.2478 14.4167 14.6385 14.6533 15.2650 15.4421 15.5042 15.5553 k = 0.3116 0.5397-0.0000 ( 4451 PWs) bands (ev): -28.7062 -28.7062 -28.6818 -28.6818 -10.1277 -10.1271 -10.0494 -10.0488 -9.7731 -9.7725 -9.7167 -9.7165 -9.6582 -9.6580 -9.6202 -9.6197 0.6133 0.6350 0.6691 0.6799 5.5595 5.6955 5.8711 5.8912 6.0342 6.1268 6.2779 6.2783 6.3100 6.3595 6.6054 6.6983 6.8161 6.8827 7.3709 7.4294 7.4799 7.5990 7.6364 7.7679 7.8010 7.8550 8.1102 8.1804 8.2406 8.3163 9.5868 9.6777 10.1382 10.1616 10.6331 10.6343 14.0035 14.1741 14.2504 14.4259 14.6359 14.6531 15.2449 15.4182 15.5172 15.5562 k = 0.3043 0.5271-0.0000 ( 4447 PWs) bands (ev): -28.7063 -28.7063 -28.6818 -28.6818 -10.1278 -10.1270 -10.0494 -10.0486 -9.7732 -9.7723 -9.7164 -9.7163 -9.6580 -9.6578 -9.6203 -9.6195 0.6018 0.6218 0.6711 0.6842 5.5578 5.6902 5.8613 5.8889 6.0140 6.1380 6.2633 6.2650 6.3101 6.3658 6.5897 6.7086 6.8296 6.9076 7.3660 7.4514 7.4909 7.5860 7.6363 7.7754 7.8253 7.8539 8.1176 8.1784 8.2645 8.3287 9.5742 9.7024 10.0933 10.1508 10.6630 10.6741 13.9784 14.1393 14.2510 14.4337 14.6337 14.6501 15.2235 15.3952 15.5273 15.5578 k = 0.2971 0.5146-0.0000 ( 4449 PWs) bands (ev): -28.7063 -28.7063 -28.6819 -28.6819 -10.1280 -10.1270 -10.0494 -10.0484 -9.7733 -9.7723 -9.7161 -9.7159 -9.6578 -9.6576 -9.6203 -9.6193 0.5875 0.6062 0.6730 0.6878 5.5557 5.6830 5.8507 5.8848 5.9936 6.1475 6.2491 6.2525 6.3101 6.3694 6.5748 6.7170 6.8480 6.9319 7.3620 7.4748 7.5027 7.5760 7.6394 7.7852 7.8511 7.8526 8.1248 8.1792 8.2954 8.3453 9.5608 9.7304 10.0423 10.1397 10.6986 10.7208 13.9500 14.1022 14.2494 14.4391 14.6313 14.6441 15.2025 15.3736 15.5356 15.5617 k = 0.2899 0.5020-0.0000 ( 4451 PWs) bands (ev): -28.7063 -28.7063 -28.6819 -28.6819 -10.1282 -10.1270 -10.0493 -10.0480 -9.7734 -9.7721 -9.7157 -9.7155 -9.6575 -9.6574 -9.6202 -9.6191 0.5706 0.5884 0.6746 0.6907 5.5533 5.6739 5.8401 5.8785 5.9741 6.1550 6.2366 6.2405 6.3097 6.3711 6.5607 6.7237 6.8693 6.9544 7.3587 7.4933 7.5128 7.5748 7.6480 7.7980 7.8470 7.8826 8.1313 8.1824 8.3337 8.3672 9.5458 9.7610 9.9876 10.1301 10.7394 10.7726 13.9195 14.0638 14.2455 14.4419 14.6281 14.6348 15.1827 15.3538 15.5430 15.5673 k = 0.2826 0.4895-0.0000 ( 4447 PWs) bands (ev): -28.7063 -28.7063 -28.6819 -28.6819 -10.1284 -10.1270 -10.0492 -10.0477 -9.7736 -9.7720 -9.7153 -9.7149 -9.6572 -9.6571 -9.6202 -9.6189 0.5512 0.5682 0.6757 0.6928 5.5506 5.6627 5.8302 5.8693 5.9569 6.1600 6.2264 6.2293 6.3090 6.3715 6.5472 6.7287 6.8920 6.9745 7.3562 7.4983 7.5190 7.5894 7.6635 7.8151 7.8421 7.9158 8.1371 8.1877 8.3792 8.3955 9.5287 9.7924 9.9326 10.1235 10.7845 10.8284 13.8876 14.0249 14.2393 14.4422 14.6217 14.6238 15.1647 15.3357 15.5487 15.5685 k = 0.2754 0.4769-0.0000 ( 4455 PWs) bands (ev): -28.7064 -28.7064 -28.6819 -28.6819 -10.1287 -10.1270 -10.0490 -10.0473 -9.7737 -9.7719 -9.7147 -9.7143 -9.6569 -9.6568 -9.6202 -9.6187 0.5293 0.5455 0.6762 0.6942 5.5475 5.6496 5.8216 5.8571 5.9428 6.1623 6.2189 6.2190 6.3079 6.3711 6.5343 6.7318 6.9154 6.9919 7.3544 7.4918 7.5207 7.6150 7.6847 7.8326 7.8429 7.9530 8.1423 8.1947 8.4312 8.4313 9.5088 9.8120 9.8907 10.1214 10.8334 10.8874 13.8549 13.9859 14.2310 14.4402 14.6047 14.6178 15.1485 15.3192 15.5458 15.5493 k = 0.2681 0.4644-0.0000 ( 4455 PWs) bands (ev): -28.7064 -28.7064 -28.6820 -28.6820 -10.1290 -10.1271 -10.0488 -10.0468 -9.7738 -9.7717 -9.7141 -9.7136 -9.6565 -9.6564 -9.6201 -9.6184 0.5050 0.5206 0.6760 0.6948 5.5440 5.6350 5.8143 5.8425 5.9320 6.1615 6.2092 6.2146 6.3064 6.3704 6.5219 6.7329 6.9387 7.0067 7.3532 7.4806 7.5188 7.6415 7.7088 7.8291 7.8746 7.9955 8.1473 8.2031 8.4748 8.4896 9.4856 9.7812 9.9013 10.1248 10.8857 10.9490 13.8221 13.9472 14.2207 14.4361 14.5836 14.6099 15.1342 15.3039 15.5042 15.5402 k = 0.2609 0.4518-0.0000 ( 4459 PWs) bands (ev): -28.7065 -28.7065 -28.6820 -28.6820 -10.1293 -10.1272 -10.0485 -10.0463 -9.7739 -9.7716 -9.7134 -9.7129 -9.6560 -9.6560 -9.6200 -9.6182 0.4783 0.4934 0.6752 0.6945 5.5402 5.6196 5.8082 5.8265 5.9236 6.1582 6.2000 6.2127 6.3047 6.3696 6.5098 6.7322 6.9617 7.0193 7.3527 7.4678 7.5144 7.6630 7.7331 7.8243 7.9201 8.0443 8.1522 8.2131 8.5264 8.5535 9.4592 9.7237 9.9412 10.1348 10.9410 11.0129 13.7895 13.9091 14.2087 14.4302 14.5584 14.5997 15.1217 15.2893 15.4597 15.5205 k = 0.2536 0.4393-0.0000 ( 4457 PWs) bands (ev): -28.7065 -28.7065 -28.6820 -28.6820 -10.1296 -10.1273 -10.0481 -10.0457 -9.7740 -9.7714 -9.7126 -9.7120 -9.6555 -9.6555 -9.6200 -9.6179 0.4495 0.4640 0.6737 0.6935 5.5362 5.6039 5.8028 5.8103 5.9170 6.1534 6.1913 6.2121 6.3028 6.3687 6.4977 6.7295 6.9842 7.0300 7.3527 7.4544 7.5086 7.6775 7.7558 7.8208 7.9775 8.0989 8.1573 8.2258 8.5854 8.6224 9.4297 9.6613 9.9891 10.1515 10.9988 11.0788 13.7573 13.8716 14.1950 14.4225 14.5292 14.5871 15.1106 15.2743 15.4175 15.4948 k = 0.2464 0.4267-0.0000 ( 4457 PWs) bands (ev): -28.7066 -28.7066 -28.6821 -28.6821 -10.1299 -10.1274 -10.0477 -10.0451 -9.7741 -9.7712 -9.7118 -9.7111 -9.6550 -9.6549 -9.6199 -9.6177 0.4186 0.4324 0.6716 0.6918 5.5321 5.5887 5.7945 5.7978 5.9116 6.1479 6.1829 6.2119 6.3009 6.3679 6.4856 6.7252 7.0062 7.0392 7.3530 7.4410 7.5017 7.6853 7.7764 7.8196 8.0451 8.1555 8.1628 8.2452 8.6511 8.6955 9.3978 9.5981 10.0417 10.1752 11.0590 11.1464 13.7258 13.8351 14.1797 14.4129 14.4965 14.5717 15.1008 15.2574 15.3808 15.4676 k = 0.2391 0.4142-0.0000 ( 4461 PWs) bands (ev): -28.7067 -28.7067 -28.6821 -28.6821 -10.1303 -10.1275 -10.0473 -10.0444 -9.7741 -9.7710 -9.7108 -9.7101 -9.6544 -9.6544 -9.6198 -9.6174 0.3856 0.3989 0.6688 0.6893 5.5282 5.5745 5.7796 5.7926 5.9068 6.1423 6.1746 6.2114 6.2990 6.3673 6.4733 6.7193 7.0277 7.0472 7.3537 7.4277 7.4943 7.6874 7.7950 7.8212 8.1203 8.1694 8.2019 8.2831 8.7226 8.7722 9.3645 9.5354 10.0981 10.2057 11.1211 11.2154 13.6952 13.7996 14.1627 14.4005 14.4617 14.5535 15.0919 15.2368 15.3521 15.4417 k = 0.2319 0.4016-0.0000 ( 4461 PWs) bands (ev): -28.7067 -28.7067 -28.6822 -28.6822 -10.1306 -10.1277 -10.0468 -10.0436 -9.7742 -9.7708 -9.7098 -9.7089 -9.6538 -9.6538 -9.6196 -9.6171 0.3509 0.3636 0.6653 0.6861 5.5245 5.5617 5.7655 5.7870 5.9026 6.1372 6.1662 6.2102 6.2973 6.3668 6.4609 6.7120 7.0486 7.0545 7.3546 7.4146 7.4866 7.6852 7.8122 7.8257 8.1704 8.2083 8.2300 8.3471 8.7983 8.8513 9.3314 9.4747 10.1581 10.2427 11.1851 11.2858 13.6657 13.7652 14.1441 14.3819 14.4285 14.5323 15.0840 15.2121 15.3327 15.4186 k = 0.2246 0.3891-0.0000 ( 4457 PWs) bands (ev): -28.7068 -28.7068 -28.6822 -28.6822 -10.1310 -10.1279 -10.0462 -10.0428 -9.7741 -9.7706 -9.7086 -9.7077 -9.6531 -9.6531 -9.6195 -9.6169 0.3145 0.3266 0.6613 0.6822 5.5212 5.5506 5.7523 5.7805 5.8988 6.1326 6.1577 6.2080 6.2958 6.3665 6.4482 6.7036 7.0611 7.0688 7.3555 7.4017 7.4788 7.6797 7.8285 7.8332 8.1782 8.2505 8.2955 8.4263 8.8761 8.9306 9.3012 9.4179 10.2214 10.2857 11.2506 11.3574 13.6372 13.7318 14.1239 14.3513 14.4033 14.5082 15.0768 15.1851 15.3212 15.3991 k = 0.2174 0.3765-0.0000 ( 4463 PWs) bands (ev): -28.7069 -28.7069 -28.6823 -28.6823 -10.1314 -10.1281 -10.0456 -10.0420 -9.7741 -9.7704 -9.7075 -9.7065 -9.6524 -9.6524 -9.6194 -9.6166 0.2766 0.2881 0.6567 0.6777 5.5187 5.5412 5.7397 5.7730 5.8954 6.1288 6.1488 6.2047 6.2944 6.3663 6.4353 6.6943 7.0674 7.0884 7.3562 7.3889 7.4709 7.6720 7.8435 7.8443 8.1844 8.2703 8.3892 8.5135 8.9519 9.0054 9.2793 9.3688 10.2880 10.3345 11.3174 11.4299 13.6100 13.6995 14.1018 14.3097 14.3853 14.4812 15.0704 15.1583 15.3155 15.3834 k = 0.2101 0.3640-0.0000 ( 4461 PWs) bands (ev): -28.7070 -28.7070 -28.6824 -28.6823 -10.1318 -10.1284 -10.0448 -10.0412 -9.7741 -9.7701 -9.7062 -9.7052 -9.6517 -9.6516 -9.6193 -9.6163 0.2374 0.2484 0.6516 0.6726 5.5169 5.5337 5.7275 5.7643 5.8925 6.1258 6.1395 6.2003 6.2931 6.3664 6.4223 6.6843 7.0733 7.1071 7.3565 7.3763 7.4632 7.6627 7.8563 7.8597 8.1901 8.2917 8.4875 8.6063 9.0170 9.0641 9.2778 9.3362 10.3577 10.3886 11.3852 11.5032 13.5840 13.6681 14.0780 14.2629 14.3694 14.4516 15.0650 15.1336 15.3141 15.3715 k = 0.2029 0.3514-0.0000 ( 4469 PWs) bands (ev): -28.7071 -28.7071 -28.6824 -28.6824 -10.1323 -10.1287 -10.0441 -10.0403 -9.7740 -9.7699 -9.7049 -9.7039 -9.6510 -9.6509 -9.6192 -9.6161 0.1972 0.2076 0.6460 0.6669 5.5160 5.5281 5.7155 5.7544 5.8899 6.1235 6.1296 6.1948 6.2919 6.3667 6.4093 6.6738 7.0791 7.1247 7.3563 7.3639 7.4558 7.6524 7.8715 7.8747 8.1954 8.3158 8.5898 8.7034 9.0541 9.0905 9.3141 9.3372 10.4304 10.4476 11.4540 11.5772 13.5594 13.6377 14.0523 14.2137 14.3533 14.4195 15.0608 15.1118 15.3160 15.3634 k = 0.1957 0.3389-0.0000 ( 4461 PWs) bands (ev): -28.7072 -28.7071 -28.6825 -28.6825 -10.1327 -10.1290 -10.0433 -10.0393 -9.7739 -9.7696 -9.7035 -9.7024 -9.6502 -9.6501 -9.6190 -9.6158 0.1561 0.1659 0.6400 0.6608 5.5159 5.5242 5.7037 5.7434 5.8878 6.1191 6.1218 6.1884 6.2906 6.3673 6.3965 6.6630 7.0846 7.1412 7.3516 7.3554 7.4489 7.6413 7.8889 7.8892 8.1998 8.3430 8.6951 8.8041 9.0526 9.0897 9.3827 9.3841 10.5061 10.5111 11.5236 11.6516 13.5360 13.6081 14.0248 14.1634 14.3358 14.3853 15.0581 15.0932 15.3210 15.3587 k = 0.1884 0.3263-0.0000 ( 4457 PWs) bands (ev): -28.7072 -28.7072 -28.6826 -28.6825 -10.1331 -10.1293 -10.0424 -10.0383 -9.7738 -9.7694 -9.7020 -9.7009 -9.6494 -9.6492 -9.6188 -9.6155 0.1143 0.1236 0.6336 0.6543 5.5167 5.5220 5.6919 5.7313 5.8862 6.1080 6.1206 6.1812 6.2893 6.3681 6.3839 6.6521 7.0900 7.1561 7.3396 7.3536 7.4424 7.6297 7.9028 7.9080 8.2030 8.3736 8.8024 8.9063 9.0283 9.0810 9.4591 9.4704 10.5788 10.5846 11.5937 11.7265 13.5140 13.5790 13.9955 14.1131 14.3161 14.3492 15.0572 15.0776 15.3289 15.3571 k = 0.1812 0.3138-0.0000 ( 4461 PWs) bands (ev): -28.7073 -28.7073 -28.6826 -28.6826 -10.1336 -10.1297 -10.0415 -10.0373 -9.7737 -9.7692 -9.7005 -9.6994 -9.6485 -9.6484 -9.6186 -9.6153 0.0721 0.0808 0.6270 0.6474 5.5183 5.5212 5.6801 5.7184 5.8850 6.0962 6.1196 6.1733 6.2880 6.3693 6.3717 6.6413 7.0950 7.1692 7.3279 7.3508 7.4365 7.6177 7.9151 7.9283 8.2047 8.4071 8.9075 8.9734 9.0340 9.0785 9.5501 9.5637 10.6503 10.6659 11.6641 11.8016 13.4933 13.5505 13.9646 14.0636 14.2934 14.3112 15.0585 15.0644 15.3398 15.3583 k = 0.1739 0.3012-0.0000 ( 4461 PWs) bands (ev): -28.7074 -28.7074 -28.6827 -28.6827 -10.1341 -10.1301 -10.0405 -10.0363 -9.7735 -9.7689 -9.6990 -9.6978 -9.6477 -9.6475 -9.6185 -9.6150 0.0296 0.0379 0.6200 0.6401 5.5205 5.5216 5.6682 5.7047 5.8844 6.0838 6.1185 6.1650 6.2869 6.3602 6.3708 6.6308 7.0998 7.1799 7.3168 7.3470 7.4312 7.6055 7.9258 7.9492 8.2047 8.4424 8.9489 8.9917 9.1054 9.1352 9.6481 9.6603 10.7251 10.7498 11.7349 11.8769 13.4739 13.5221 13.9324 14.0157 14.2669 14.2712 15.0531 15.0623 15.3539 15.3618 k = 0.1667 0.2887-0.0000 ( 4461 PWs) bands (ev): -28.7075 -28.7075 -28.6828 -28.6827 -10.1346 -10.1305 -10.0396 -10.0352 -9.7733 -9.7687 -9.6974 -9.6963 -9.6468 -9.6466 -9.6184 -9.6148 -0.0128 -0.0051 0.6129 0.6326 5.5231 5.5232 5.6565 5.6906 5.8842 6.0709 6.1169 6.1564 6.2860 6.3494 6.3726 6.6207 7.1040 7.1878 7.3067 7.3425 7.4264 7.5932 7.9346 7.9695 8.2029 8.4773 8.9223 9.0278 9.1912 9.2479 9.7494 9.7585 10.8029 10.8364 11.8059 11.9523 13.4558 13.4939 13.8993 13.9702 14.2289 14.2354 15.0426 15.0689 15.3675 15.3714 k = 0.1594 0.2761-0.0000 ( 4455 PWs) bands (ev): -28.7076 -28.7076 -28.6828 -28.6828 -10.1350 -10.1309 -10.0386 -10.0342 -9.7731 -9.7684 -9.6957 -9.6947 -9.6459 -9.6457 -9.6182 -9.6146 -0.0551 -0.0478 0.6057 0.6250 5.5252 5.5259 5.6450 5.6762 5.8845 6.0576 6.1142 6.1479 6.2858 6.3394 6.3746 6.6114 7.1076 7.1921 7.2984 7.3373 7.4220 7.5808 7.9413 7.9882 8.1998 8.5076 8.9070 9.0478 9.3056 9.3641 9.8521 9.8570 10.8833 10.9255 11.8772 12.0277 13.4390 13.4656 13.8654 13.9277 14.1838 14.1979 15.0318 15.0788 15.3748 15.3925 k = 0.1522 0.2636-0.0000 ( 4445 PWs) bands (ev): -28.7077 -28.7077 -28.6829 -28.6829 -10.1354 -10.1314 -10.0375 -10.0331 -9.7728 -9.7682 -9.6940 -9.6930 -9.6450 -9.6448 -9.6180 -9.6143 -0.0969 -0.0901 0.5984 0.6173 5.5276 5.5285 5.6339 5.6620 5.8853 6.0441 6.1101 6.1397 6.2865 6.3304 6.3768 6.6030 7.1104 7.1920 7.2924 7.3317 7.4180 7.5684 7.9456 8.0036 8.1964 8.5286 8.9095 9.0723 9.4286 9.4827 9.9549 9.9551 10.9657 11.0169 11.9486 12.1032 13.4236 13.4372 13.8310 13.8885 14.1356 14.1531 15.0193 15.0920 15.3833 15.4171 k = 0.1449 0.2510-0.0000 ( 4443 PWs) bands (ev): -28.7078 -28.7078 -28.6830 -28.6830 -10.1359 -10.1319 -10.0365 -10.0321 -9.7725 -9.7679 -9.6924 -9.6914 -9.6440 -9.6439 -9.6178 -9.6141 -0.1381 -0.1318 0.5911 0.6094 5.5299 5.5305 5.6238 5.6483 5.8864 6.0305 6.1042 6.1321 6.2885 6.3225 6.3791 6.5956 7.1121 7.1871 7.2891 7.3260 7.4141 7.5561 7.9476 8.0140 8.1942 8.5367 8.9338 9.1057 9.5560 9.6034 10.0522 10.0570 11.0498 11.1107 12.0203 12.1788 13.4088 13.4094 13.7960 13.8530 14.0838 14.1000 15.0035 15.1083 15.3844 15.3934 k = 0.1377 0.2385-0.0000 ( 4447 PWs) bands (ev): -28.7080 -28.7079 -28.6831 -28.6830 -10.1364 -10.1324 -10.0354 -10.0311 -9.7723 -9.7677 -9.6907 -9.6897 -9.6431 -9.6430 -9.6176 -9.6139 -0.1786 -0.1727 0.5838 0.6015 5.5312 5.5316 5.6151 5.6356 5.8880 6.0171 6.0966 6.1249 6.2918 6.3156 6.3812 6.5895 7.1125 7.1777 7.2883 7.3203 7.4103 7.5439 7.9472 8.0178 8.1947 8.5327 8.9795 9.1492 9.6863 9.7257 10.1478 10.1574 11.1350 11.2067 12.0925 12.2545 13.3805 13.3965 13.7597 13.8212 14.0288 14.0376 14.9823 15.1260 15.3130 15.3717 k = 0.1304 0.2259-0.0000 ( 4455 PWs) bands (ev): -28.7081 -28.7080 -28.6831 -28.6831 -10.1368 -10.1329 -10.0344 -10.0301 -9.7720 -9.7675 -9.6890 -9.6882 -9.6423 -9.6421 -9.6175 -9.6138 -0.2181 -0.2127 0.5766 0.5937 5.5300 5.5319 5.6082 5.6244 5.8900 6.0040 6.0877 6.1177 6.2965 6.3102 6.3832 6.5850 7.1114 7.1645 7.2891 7.3151 7.4066 7.5319 7.9444 8.0145 8.1990 8.5206 9.0423 9.2027 9.8187 9.8490 10.2415 10.2556 11.2206 11.3049 12.1654 12.3305 13.3528 13.3849 13.7209 13.7926 13.9656 13.9717 14.9540 15.1371 15.2547 15.3139 k = 0.1232 0.2134-0.0000 ( 4447 PWs) bands (ev): -28.7082 -28.7081 -28.6832 -28.6832 -10.1372 -10.1334 -10.0333 -10.0291 -9.7717 -9.7673 -9.6874 -9.6866 -9.6413 -9.6412 -9.6172 -9.6135 -0.2564 -0.2514 0.5696 0.5860 5.5266 5.5302 5.6037 5.6155 5.8922 5.9915 6.0779 6.1103 6.3004 6.3086 6.3848 6.5821 7.1085 7.1483 7.2909 7.3104 7.4029 7.5202 7.9394 8.0050 8.2068 8.5045 9.1182 9.2658 9.9523 9.9728 10.3333 10.3512 11.3061 11.4050 12.2393 12.4069 13.3261 13.3741 13.6770 13.7658 13.8852 13.9154 14.9180 15.1163 15.2367 15.2643 k = 0.1159 0.2008-0.0000 ( 4443 PWs) bands (ev): -28.7082 -28.7082 -28.6833 -28.6833 -10.1376 -10.1339 -10.0323 -10.0281 -9.7714 -9.7671 -9.6857 -9.6850 -9.6404 -9.6403 -9.6170 -9.6134 -0.2934 -0.2887 0.5627 0.5783 5.5209 5.5260 5.6014 5.6093 5.8946 5.9797 6.0674 6.1027 6.2989 6.3151 6.3860 6.5810 7.1035 7.1296 7.2930 7.3065 7.3993 7.5088 7.9325 7.9908 8.2169 8.4872 9.2037 9.3377 10.0860 10.0962 10.4234 10.4438 11.3908 11.5069 12.3145 12.4837 13.3011 13.3634 13.6248 13.7325 13.8045 13.8640 14.8748 15.0649 15.2224 15.2580 k = 0.1087 0.1883-0.0000 ( 4445 PWs) bands (ev): -28.7083 -28.7083 -28.6834 -28.6833 -10.1380 -10.1344 -10.0312 -10.0273 -9.7710 -9.7669 -9.6841 -9.6835 -9.6396 -9.6395 -9.6168 -9.6132 -0.3289 -0.3246 0.5560 0.5709 5.5133 5.5194 5.6010 5.6058 5.8970 5.9690 6.0564 6.0949 6.2964 6.3253 6.3865 6.5819 7.0965 7.1090 7.2952 7.3035 7.3957 7.4978 7.9239 7.9738 8.2282 8.4704 9.2968 9.4175 10.2180 10.2181 10.5127 10.5336 11.4737 11.6102 12.3913 12.5611 13.2785 13.3506 13.5631 13.6617 13.7552 13.8215 14.8263 15.0072 15.1859 15.2928 k = 0.1014 0.1757-0.0000 ( 4453 PWs) bands (ev): -28.7085 -28.7084 -28.6834 -28.6834 -10.1384 -10.1349 -10.0303 -10.0265 -9.7707 -9.7668 -9.6826 -9.6820 -9.6387 -9.6386 -9.6167 -9.6132 -0.3628 -0.3589 0.5496 0.5637 5.5046 5.5107 5.6017 5.6045 5.8993 5.9597 6.0451 6.0870 6.2947 6.3375 6.3865 6.5846 7.0866 7.0873 7.2973 7.3014 7.3922 7.4871 7.9141 7.9553 8.2401 8.4549 9.3959 9.5045 10.3369 10.3452 10.6037 10.6215 11.5543 11.7144 12.4698 12.6387 13.2592 13.3290 13.4981 13.5576 13.7339 13.7896 14.7744 14.9499 15.1517 15.3290 k = 0.0942 0.1632-0.0000 ( 4457 PWs) bands (ev): -28.7085 -28.7085 -28.6835 -28.6835 -10.1388 -10.1355 -10.0293 -10.0257 -9.7704 -9.7667 -9.6811 -9.6806 -9.6380 -9.6379 -9.6164 -9.6130 -0.3949 -0.3914 0.5435 0.5567 5.4951 5.5009 5.6030 5.6045 5.9010 5.9522 6.0334 6.0792 6.2939 6.3513 6.3858 6.5893 7.0627 7.0760 7.2992 7.3001 7.3889 7.4769 7.9033 7.9365 8.2518 8.4410 9.4997 9.5975 10.4502 10.4630 10.7003 10.7090 11.6316 11.8187 12.5499 12.7160 13.2439 13.2833 13.4423 13.4481 13.7202 13.7671 14.7207 14.8940 15.1170 15.3482 k = 0.0870 0.1506-0.0000 ( 4455 PWs) bands (ev): -28.7086 -28.7086 -28.6836 -28.6835 -10.1391 -10.1360 -10.0284 -10.0249 -9.7701 -9.7665 -9.6797 -9.6792 -9.6372 -9.6371 -9.6162 -9.6129 -0.4252 -0.4219 0.5378 0.5501 5.4855 5.4905 5.6046 5.6053 5.9017 5.9471 6.0216 6.0716 6.2940 6.3667 6.3846 6.5957 7.0376 7.0627 7.2996 7.3008 7.3857 7.4671 7.8920 7.9181 8.2632 8.4290 9.6074 9.6956 10.5548 10.5660 10.7988 10.8074 11.7046 11.9220 12.6301 12.7912 13.2054 13.2315 13.3254 13.4253 13.7101 13.7524 14.6662 14.8384 15.0797 15.3318 k = 0.0797 0.1381-0.0000 ( 4459 PWs) bands (ev): -28.7087 -28.7087 -28.6836 -28.6836 -10.1394 -10.1365 -10.0275 -10.0242 -9.7697 -9.7664 -9.6783 -9.6780 -9.6364 -9.6364 -9.6159 -9.6128 -0.4534 -0.4505 0.5324 0.5439 5.4760 5.4801 5.6062 5.6065 5.9010 5.9446 6.0096 6.0643 6.2951 6.3828 6.3835 6.6037 7.0113 7.0476 7.2996 7.3021 7.3829 7.4578 7.8806 7.9006 8.2741 8.4185 9.7179 9.7979 10.6477 10.6522 10.8936 10.9266 11.7726 12.0225 12.7061 12.8590 13.1123 13.1830 13.2549 13.4206 13.7024 13.7440 14.6111 14.7817 15.0382 15.2909 k = 0.0725 0.1255-0.0000 ( 4461 PWs) bands (ev): -28.7088 -28.7088 -28.6837 -28.6836 -10.1397 -10.1370 -10.0266 -10.0236 -9.7694 -9.7664 -9.6771 -9.6768 -9.6358 -9.6357 -9.6157 -9.6127 -0.4796 -0.4770 0.5275 0.5380 5.4667 5.4701 5.6077 5.6077 5.8992 5.9447 5.9976 6.0572 6.2970 6.3806 6.4017 6.6131 6.9843 7.0308 7.3002 7.3032 7.3803 7.4490 7.8695 7.8843 8.2844 8.4095 9.8303 9.9030 10.7242 10.7276 10.9944 11.0552 11.8345 12.1180 12.7596 12.8957 13.0329 13.0957 13.2604 13.4251 13.6963 13.7410 14.5557 14.7225 14.9912 15.2293 k = 0.0652 0.1130-0.0000 ( 4461 PWs) bands (ev): -28.7089 -28.7088 -28.6837 -28.6837 -10.1399 -10.1374 -10.0258 -10.0231 -9.7691 -9.7663 -9.6759 -9.6757 -9.6351 -9.6351 -9.6154 -9.6127 -0.5035 -0.5012 0.5230 0.5325 5.4580 5.4605 5.6089 5.6090 5.8968 5.9468 5.9858 6.0504 6.2996 6.3780 6.4211 6.6236 6.9567 7.0127 7.3011 7.3042 7.3781 7.4406 7.8588 7.8695 8.2940 8.4018 9.9432 10.0096 10.7861 10.7960 11.1001 11.1891 11.8893 12.2051 12.7403 12.8394 13.0229 13.0888 13.2888 13.4353 13.6918 13.7431 14.5001 14.6591 14.9375 15.1431 k = 0.0580 0.1004-0.0000 ( 4469 PWs) bands (ev): -28.7089 -28.7089 -28.6838 -28.6837 -10.1401 -10.1379 -10.0251 -10.0226 -9.7688 -9.7663 -9.6749 -9.6747 -9.6346 -9.6345 -9.6152 -9.6127 -0.5252 -0.5231 0.5189 0.5274 5.4499 5.4517 5.6098 5.6100 5.8944 5.9503 5.9742 6.0437 6.3030 6.3751 6.4416 6.6350 6.9290 6.9935 7.3022 7.3049 7.3765 7.4327 7.8489 7.8563 8.3030 8.3951 10.0553 10.1159 10.8417 10.8558 11.2080 11.3249 11.9359 12.2799 12.6468 12.7204 13.0861 13.1390 13.3366 13.4499 13.6885 13.7500 14.4447 14.5904 14.8751 15.0360 k = 0.0507 0.0879-0.0000 ( 4473 PWs) bands (ev): -28.7090 -28.7090 -28.6838 -28.6838 -10.1403 -10.1383 -10.0244 -10.0222 -9.7685 -9.7663 -9.6740 -9.6738 -9.6340 -9.6340 -9.6150 -9.6127 -0.5444 -0.5426 0.5153 0.5229 5.4425 5.4438 5.6106 5.6108 5.8924 5.9547 5.9630 6.0373 6.3070 6.3718 6.4632 6.6466 6.9018 6.9733 7.3033 7.3056 7.3753 7.4252 7.8399 7.8448 8.3113 8.3891 10.1645 10.2197 10.8943 10.9106 11.3156 11.4600 11.9734 12.3381 12.5269 12.5872 13.1762 13.2041 13.4015 13.4686 13.6864 13.7616 14.3897 14.5159 14.8025 14.9179 k = 0.0435 0.0753-0.0000 ( 4477 PWs) bands (ev): -28.7090 -28.7090 -28.6838 -28.6838 -10.1404 -10.1387 -10.0238 -10.0219 -9.7682 -9.7663 -9.6731 -9.6731 -9.6336 -9.6336 -9.6147 -9.6127 -0.5613 -0.5598 0.5123 0.5188 5.4359 5.4367 5.6112 5.6114 5.8911 5.9523 5.9596 6.0309 6.3114 6.3683 6.4858 6.6578 6.8758 6.9526 7.3045 7.3061 7.3748 7.4182 7.8319 7.8350 8.3191 8.3838 10.2682 10.3179 10.9470 10.9637 11.4206 11.5925 12.0006 12.3726 12.3992 12.4553 13.2753 13.2793 13.4786 13.4917 13.6858 13.7779 14.3354 14.4361 14.7181 14.7945 k = 0.0362 0.0628-0.0000 ( 4473 PWs) bands (ev): -28.7091 -28.7091 -28.6839 -28.6839 -10.1405 -10.1390 -10.0232 -10.0216 -9.7680 -9.7664 -9.6724 -9.6724 -9.6332 -9.6332 -9.6144 -9.6127 -0.5756 -0.5743 0.5099 0.5153 5.4302 5.4307 5.6117 5.6118 5.8907 5.9423 5.9650 6.0247 6.3162 6.3646 6.5092 6.6675 6.8522 6.9317 7.3055 7.3065 7.3749 7.4117 7.8250 7.8268 8.3263 8.3788 10.3634 10.4069 11.0030 11.0184 11.5214 11.7205 12.0167 12.2700 12.3036 12.4074 13.3648 13.3750 13.5221 13.5622 13.6885 13.7991 14.2817 14.3528 14.6222 14.6683 k = 0.0290 0.0502-0.0000 ( 4477 PWs) bands (ev): -28.7091 -28.7091 -28.6839 -28.6839 -10.1405 -10.1394 -10.0228 -10.0215 -9.7677 -9.7664 -9.6718 -9.6718 -9.6329 -9.6329 -9.6142 -9.6128 -0.5874 -0.5864 0.5079 0.5122 5.4254 5.4257 5.6120 5.6121 5.8913 5.9329 5.9705 6.0185 6.3213 6.3606 6.5334 6.6737 6.8332 6.9107 7.3063 7.3068 7.3758 7.4056 7.8193 7.8202 8.3330 8.3741 10.4463 10.4824 11.0650 11.0773 11.6162 11.8421 12.0208 12.1435 12.1737 12.4042 13.4566 13.4613 13.5710 13.6430 13.7026 13.8255 14.2279 14.2685 14.5161 14.5407 k = 0.0217 0.0377-0.0000 ( 4477 PWs) bands (ev): -28.7091 -28.7091 -28.6839 -28.6839 -10.1405 -10.1397 -10.0223 -10.0213 -9.7675 -9.7665 -9.6714 -9.6714 -9.6326 -9.6326 -9.6139 -9.6129 -0.5965 -0.5958 0.5065 0.5097 5.4217 5.4218 5.6122 5.6122 5.8930 5.9244 5.9763 6.0124 6.3265 6.3563 6.5580 6.6738 6.8213 6.8902 7.3069 7.3071 7.3773 7.3999 7.8148 7.8152 8.3392 8.3696 10.5136 10.5412 11.1332 11.1412 11.7039 11.9546 12.0124 12.0253 12.0486 12.3854 13.5156 13.5406 13.6546 13.6970 13.7608 13.8580 14.1726 14.1858 14.4020 14.4130 k = 0.0145 0.0251-0.0000 ( 4477 PWs) bands (ev): -28.7092 -28.7092 -28.6839 -28.6839 -10.1405 -10.1399 -10.0220 -10.0213 -9.7673 -9.7666 -9.6711 -9.6711 -9.6324 -9.6324 -9.6137 -9.6130 -0.6030 -0.6026 0.5056 0.5078 5.4190 5.4190 5.6123 5.6123 5.8956 5.9167 5.9822 6.0063 6.3318 6.3518 6.5827 6.6658 6.8185 6.8705 7.3073 7.3074 7.3795 7.3948 7.8116 7.8117 8.3450 8.3650 10.5630 10.5815 11.2029 11.2065 11.7829 11.9179 11.9372 11.9911 12.0611 12.3500 13.5485 13.5878 13.7578 13.7621 13.8473 13.8993 14.1078 14.1134 14.2831 14.2867 k = 0.0072 0.0126-0.0000 ( 4473 PWs) bands (ev): -28.7092 -28.7092 -28.6839 -28.6839 -10.1404 -10.1401 -10.0217 -10.0214 -9.7671 -9.7667 -9.6708 -9.6708 -9.6323 -9.6323 -9.6135 -9.6132 -0.6069 -0.6067 0.5054 0.5065 5.4173 5.4173 5.6124 5.6124 5.8994 5.9099 5.9881 6.0002 6.3370 6.3471 6.6071 6.6505 6.8244 6.8522 7.3075 7.3075 7.3825 7.3901 7.8096 7.8096 8.3504 8.3603 10.5942 10.6034 11.2606 11.2613 11.8419 11.8516 11.8530 11.9570 12.1533 12.2989 13.5725 13.5973 13.8532 13.8577 13.9385 13.9565 14.0391 14.0493 14.1637 14.1641 k = 0.0000 0.0000 0.0000 ( 4469 PWs) bands (ev): -28.7092 -28.7092 -28.6839 -28.6839 -10.1403 -10.1403 -10.0215 -10.0215 -9.7669 -9.7669 -9.6708 -9.6708 -9.6323 -9.6323 -9.6133 -9.6133 -0.6082 -0.6082 0.5057 0.5057 5.4167 5.4167 5.6124 5.6124 5.9041 5.9041 5.9941 5.9941 6.3421 6.3421 6.6302 6.6302 6.8363 6.8363 7.3076 7.3076 7.3860 7.3860 7.8090 7.8090 8.3555 8.3555 10.6076 10.6076 11.2843 11.2843 11.8158 11.8158 11.9105 11.9105 12.2330 12.2330 13.5894 13.5894 13.9158 13.9158 13.9867 13.9867 14.0425 14.0425 14.0612 14.0612 k = 0.0000 0.0000 0.0000 ( 4469 PWs) bands (ev): -28.7092 -28.7092 -28.6839 -28.6839 -10.1403 -10.1403 -10.0215 -10.0215 -9.7669 -9.7669 -9.6708 -9.6708 -9.6323 -9.6323 -9.6133 -9.6133 -0.6082 -0.6082 0.5057 0.5057 5.4167 5.4167 5.6124 5.6124 5.9041 5.9041 5.9941 5.9941 6.3421 6.3421 6.6302 6.6302 6.8363 6.8363 7.3076 7.3076 7.3860 7.3860 7.8090 7.8090 8.3555 8.3555 10.6076 10.6076 11.2843 11.2843 11.8158 11.8158 11.9105 11.9105 12.2330 12.2330 13.5894 13.5894 13.9158 13.9158 13.9867 13.9867 14.0425 14.0425 14.0612 14.0612 k = 0.0000 0.0000 0.0143 ( 4481 PWs) bands (ev): -28.7091 -28.7091 -28.6840 -28.6840 -10.1401 -10.1401 -10.0215 -10.0215 -9.7669 -9.7669 -9.6707 -9.6707 -9.6324 -9.6324 -9.6136 -9.6136 -0.6070 -0.6070 0.5041 0.5041 5.4170 5.4170 5.6122 5.6122 5.9044 5.9044 5.9941 5.9941 6.3415 6.3415 6.6193 6.6193 6.8466 6.8466 7.3081 7.3081 7.3856 7.3856 7.8082 7.8082 8.3603 8.3603 10.6094 10.6094 11.2866 11.2866 11.8167 11.8167 11.8978 11.8978 12.2402 12.2402 13.5755 13.5755 13.9131 13.9131 14.0031 14.0031 14.0434 14.0434 14.0571 14.0571 k = 0.0000 0.0000 0.0286 ( 4469 PWs) bands (ev): -28.7090 -28.7090 -28.6841 -28.6841 -10.1394 -10.1394 -10.0217 -10.0217 -9.7666 -9.7666 -9.6706 -9.6706 -9.6325 -9.6325 -9.6144 -9.6144 -0.6036 -0.6036 0.4996 0.4996 5.4176 5.4176 5.6114 5.6114 5.9050 5.9050 5.9942 5.9942 6.3395 6.3395 6.5919 6.5919 6.8723 6.8723 7.3095 7.3095 7.3844 7.3844 7.8059 7.8059 8.3744 8.3744 10.6150 10.6150 11.2934 11.2934 11.8193 11.8193 11.8631 11.8631 12.2584 12.2584 13.5391 13.5391 13.9034 13.9034 14.0464 14.0464 14.0469 14.0469 14.0469 14.0469 k = 0.0000 0.0000 0.0429 ( 4469 PWs) bands (ev): -28.7089 -28.7089 -28.6842 -28.6842 -10.1383 -10.1383 -10.0220 -10.0220 -9.7662 -9.7662 -9.6704 -9.6704 -9.6327 -9.6327 -9.6157 -9.6157 -0.5979 -0.5979 0.4922 0.4922 5.4186 5.4186 5.6101 5.6101 5.9060 5.9060 5.9943 5.9943 6.3363 6.3363 6.5559 6.5559 6.9053 6.9053 7.3120 7.3120 7.3824 7.3824 7.8022 7.8022 8.3981 8.3981 10.6242 10.6242 11.3047 11.3047 11.8133 11.8133 11.8237 11.8237 12.2804 12.2804 13.4898 13.4898 13.8828 13.8828 14.0359 14.0359 14.0513 14.0513 14.1085 14.1085 k = 0.0000 0.0000 0.0573 ( 4469 PWs) bands (ev): -28.7087 -28.7087 -28.6844 -28.6844 -10.1368 -10.1368 -10.0224 -10.0224 -9.7656 -9.7656 -9.6701 -9.6701 -9.6330 -9.6330 -9.6176 -9.6176 -0.5900 -0.5900 0.4819 0.4819 5.4200 5.4200 5.6083 5.6083 5.9075 5.9075 5.9944 5.9944 6.3319 6.3319 6.5163 6.5163 6.9406 6.9406 7.3154 7.3154 7.3796 7.3796 7.7970 7.7970 8.4311 8.4311 10.6371 10.6371 11.3205 11.3205 11.7538 11.7538 11.8299 11.8299 12.3009 12.3009 13.4348 13.4348 13.8478 13.8478 14.0299 14.0299 14.0583 14.0583 14.1809 14.1809 k = 0.0000 0.0000 0.0716 ( 4475 PWs) bands (ev): -28.7085 -28.7085 -28.6847 -28.6847 -10.1348 -10.1348 -10.0230 -10.0230 -9.7648 -9.7648 -9.6697 -9.6697 -9.6334 -9.6334 -9.6201 -9.6201 -0.5799 -0.5799 0.4686 0.4686 5.4219 5.4219 5.6061 5.6061 5.9094 5.9094 5.9945 5.9945 6.3262 6.3262 6.4758 6.4758 6.9756 6.9756 7.3197 7.3197 7.3762 7.3762 7.7905 7.7905 8.4732 8.4732 10.6535 10.6535 11.3406 11.3406 11.6880 11.6880 11.8380 11.8380 12.3160 12.3160 13.3781 13.3781 13.7984 13.7984 14.0307 14.0307 14.0672 14.0672 14.2598 14.2598 k = 0.0000 0.0000 0.0859 ( 4475 PWs) bands (ev): -28.7081 -28.7081 -28.6850 -28.6850 -10.1325 -10.1325 -10.0236 -10.0236 -9.7639 -9.7639 -9.6692 -9.6692 -9.6339 -9.6339 -9.6230 -9.6230 -0.5676 -0.5676 0.4527 0.4527 5.4241 5.4241 5.6034 5.6034 5.9118 5.9118 5.9947 5.9947 6.3193 6.3193 6.4358 6.4358 7.0090 7.0090 7.3250 7.3250 7.3721 7.3721 7.7826 7.7826 8.5244 8.5244 10.6736 10.6736 11.3650 11.3650 11.6181 11.6181 11.8480 11.8480 12.3235 12.3235 13.3220 13.3220 13.7377 13.7377 14.0375 14.0375 14.0780 14.0780 14.3425 14.3425 k = 0.0000 0.0000 0.1002 ( 4468 PWs) bands (ev): -28.7078 -28.7078 -28.6853 -28.6853 -10.1297 -10.1297 -10.0244 -10.0244 -9.7627 -9.7627 -9.6686 -9.6686 -9.6344 -9.6344 -9.6264 -9.6264 -0.5531 -0.5531 0.4342 0.4342 5.4267 5.4267 5.6002 5.6002 5.9147 5.9147 5.9950 5.9950 6.3112 6.3112 6.3969 6.3969 7.0400 7.0400 7.3312 7.3312 7.3674 7.3674 7.7734 7.7734 8.5842 8.5842 10.6970 10.6970 11.3937 11.3937 11.5453 11.5453 11.8601 11.8601 12.3221 12.3221 13.2676 13.2676 13.6685 13.6685 14.0489 14.0489 14.0908 14.0908 14.4266 14.4266 k = 0.0000 0.0000 0.1145 ( 4474 PWs) bands (ev): -28.7074 -28.7074 -28.6858 -28.6858 -10.1266 -10.1266 -10.0254 -10.0254 -9.7614 -9.7614 -9.6680 -9.6680 -9.6351 -9.6351 -9.6302 -9.6302 -0.5366 -0.5366 0.4131 0.4131 5.4297 5.4297 5.5966 5.5966 5.9181 5.9181 5.9953 5.9953 6.3020 6.3020 6.3599 6.3599 7.0682 7.0682 7.3383 7.3383 7.3621 7.3621 7.7631 7.7631 8.6520 8.6520 10.7239 10.7239 11.4265 11.4265 11.4705 11.4705 11.8742 11.8742 12.3110 12.3110 13.2157 13.2157 13.5934 13.5934 14.0642 14.0642 14.1056 14.1056 14.5093 14.5093 k = 0.0000 0.0000 0.1288 ( 4486 PWs) bands (ev): -28.7069 -28.7069 -28.6862 -28.6862 -10.1233 -10.1233 -10.0265 -10.0265 -9.7599 -9.7599 -9.6673 -9.6673 -9.6358 -9.6358 -9.6344 -9.6344 -0.5180 -0.5180 0.3897 0.3897 5.4331 5.4331 5.5925 5.5925 5.9220 5.9220 5.9957 5.9957 6.2917 6.2917 6.3250 6.3250 7.0936 7.0936 7.3463 7.3463 7.3564 7.3564 7.7517 7.7517 8.7275 8.7275 10.7541 10.7541 11.3941 11.3941 11.4633 11.4633 11.8906 11.8906 12.2901 12.2901 13.1661 13.1661 13.5139 13.5139 14.0825 14.0825 14.1223 14.1223 14.5873 14.5873 k = 0.0000 0.0000 0.1431 ( 4486 PWs) bands (ev): -28.7064 -28.7064 -28.6868 -28.6868 -10.1196 -10.1196 -10.0278 -10.0278 -9.7581 -9.7581 -9.6665 -9.6665 -9.6390 -9.6390 -9.6366 -9.6366 -0.4974 -0.4974 0.3640 0.3640 5.4368 5.4368 5.5881 5.5881 5.9265 5.9265 5.9962 5.9962 6.2805 6.2805 6.2924 6.2924 7.1162 7.1162 7.3503 7.3503 7.3551 7.3551 7.7393 7.7393 8.8099 8.8099 10.7875 10.7875 11.3166 11.3166 11.5040 11.5040 11.9092 11.9092 12.2598 12.2598 13.1186 13.1186 13.4314 13.4314 14.1038 14.1038 14.1409 14.1409 14.6564 14.6564 k = 0.0000 0.0000 0.1575 ( 4492 PWs) bands (ev): -28.7058 -28.7058 -28.6873 -28.6873 -10.1157 -10.1157 -10.0292 -10.0292 -9.7562 -9.7562 -9.6657 -9.6657 -9.6439 -9.6439 -9.6375 -9.6375 -0.4749 -0.4749 0.3363 0.3363 5.4408 5.4408 5.5833 5.5833 5.9315 5.9315 5.9968 5.9968 6.2623 6.2623 6.2683 6.2683 7.1362 7.1362 7.3438 7.3438 7.3648 7.3648 7.7260 7.7260 8.8984 8.8984 10.8241 10.8241 11.2381 11.2381 11.5484 11.5484 11.9304 11.9304 12.2208 12.2208 13.0724 13.0724 13.3465 13.3465 14.1278 14.1278 14.1614 14.1614 14.7122 14.7122 k = 0.0000 0.0000 0.1718 ( 4462 PWs) bands (ev): -28.7052 -28.7052 -28.6880 -28.6880 -10.1116 -10.1116 -10.0307 -10.0307 -9.7540 -9.7540 -9.6647 -9.6647 -9.6490 -9.6490 -9.6384 -9.6384 -0.4505 -0.4505 0.3068 0.3068 5.4452 5.4452 5.5782 5.5782 5.9372 5.9372 5.9975 5.9975 6.2347 6.2347 6.2554 6.2554 7.1538 7.1538 7.3372 7.3372 7.3752 7.3752 7.7119 7.7119 8.9923 8.9923 10.8637 10.8637 11.1585 11.1585 11.5965 11.5965 11.9542 11.9542 12.1743 12.1743 13.0265 13.0265 13.2603 13.2603 14.1545 14.1545 14.1839 14.1839 14.7515 14.7515 k = 0.0000 0.0000 0.1861 ( 4462 PWs) bands (ev): -28.7045 -28.7045 -28.6886 -28.6886 -10.1072 -10.1072 -10.0324 -10.0324 -9.7515 -9.7515 -9.6637 -9.6637 -9.6544 -9.6544 -9.6394 -9.6394 -0.4244 -0.4244 0.2755 0.2755 5.4499 5.4499 5.5728 5.5728 5.9434 5.9434 5.9984 5.9984 6.2097 6.2097 6.2417 6.2417 7.1693 7.1693 7.3303 7.3303 7.3864 7.3864 7.6971 7.6971 9.0909 9.0909 10.9061 10.9061 11.0779 11.0779 11.6480 11.6480 11.9807 11.9807 12.1214 12.1214 12.9797 12.9797 13.1730 13.1730 14.1836 14.1836 14.2082 14.2082 14.7736 14.7736 k = 0.0000 0.0000 0.2004 ( 4450 PWs) bands (ev): -28.7038 -28.7038 -28.6893 -28.6893 -10.1027 -10.1027 -10.0344 -10.0344 -9.7487 -9.7487 -9.6626 -9.6626 -9.6600 -9.6600 -9.6404 -9.6404 -0.3966 -0.3966 0.2426 0.2426 5.4549 5.4549 5.5672 5.5672 5.9502 5.9502 5.9995 5.9995 6.1872 6.1872 6.2275 6.2275 7.1829 7.1829 7.3233 7.3233 7.3984 7.3984 7.6817 7.6817 9.1932 9.1932 10.9514 10.9514 10.9959 10.9959 11.7028 11.7028 12.0101 12.0101 12.0635 12.0635 12.9314 12.9314 13.0853 13.0853 14.2152 14.2152 14.2344 14.2344 14.7806 14.7806 k = 0.0000 0.0000 0.2147 ( 4462 PWs) bands (ev): -28.7031 -28.7031 -28.6900 -28.6900 -10.0981 -10.0981 -10.0366 -10.0366 -9.7458 -9.7458 -9.6658 -9.6658 -9.6615 -9.6615 -9.6415 -9.6415 -0.3672 -0.3672 0.2084 0.2084 5.4601 5.4601 5.5613 5.5613 5.9576 5.9576 6.0007 6.0007 6.1673 6.1673 6.2128 6.2128 7.1950 7.1950 7.3163 7.3163 7.4110 7.4110 7.6658 7.6658 9.2986 9.2986 10.9125 10.9125 10.9993 10.9993 11.7608 11.7608 12.0017 12.0017 12.0425 12.0425 12.8807 12.8807 12.9974 12.9974 14.2490 14.2490 14.2622 14.2622 14.7755 14.7755 k = 0.0000 0.0000 0.2290 ( 4462 PWs) bands (ev): -28.7024 -28.7024 -28.6908 -28.6908 -10.0936 -10.0936 -10.0390 -10.0390 -9.7426 -9.7426 -9.6716 -9.6716 -9.6603 -9.6603 -9.6427 -9.6427 -0.3365 -0.3365 0.1731 0.1731 5.4656 5.4656 5.5552 5.5552 5.9654 5.9654 6.0020 6.0020 6.1498 6.1498 6.1979 6.1979 7.2058 7.2058 7.3093 7.3093 7.4243 7.4243 7.6495 7.6495 9.4062 9.4062 10.8273 10.8273 11.0498 11.0498 11.8219 11.8219 11.9370 11.9370 12.0781 12.0781 12.8275 12.8275 12.9098 12.9098 14.2853 14.2853 14.2918 14.2918 14.7612 14.7612 k = 0.0000 0.0000 0.2434 ( 4462 PWs) bands (ev): -28.7016 -28.7016 -28.6915 -28.6915 -10.0888 -10.0888 -10.0417 -10.0417 -9.7390 -9.7390 -9.6776 -9.6776 -9.6592 -9.6592 -9.6439 -9.6439 -0.3042 -0.3042 0.1369 0.1369 5.4714 5.4714 5.5489 5.5489 5.9735 5.9735 6.0035 6.0035 6.1350 6.1350 6.1830 6.1830 7.2155 7.2155 7.3022 7.3022 7.4381 7.4381 7.6329 7.6329 9.5153 9.5153 10.7401 10.7401 11.1027 11.1027 11.8703 11.8703 11.8858 11.8858 12.1168 12.1168 12.7718 12.7718 12.8226 12.8226 14.3231 14.3231 14.3239 14.3239 14.7399 14.7399 k = 0.0000 0.0000 0.2577 ( 4462 PWs) bands (ev): -28.7008 -28.7008 -28.6923 -28.6923 -10.0841 -10.0841 -10.0445 -10.0445 -9.7351 -9.7351 -9.6836 -9.6836 -9.6580 -9.6580 -9.6451 -9.6451 -0.2708 -0.2708 0.0999 0.0999 5.4773 5.4773 5.5424 5.5424 5.9817 5.9817 6.0052 6.0052 6.1228 6.1228 6.1682 6.1682 7.2243 7.2243 7.2953 7.2953 7.4526 7.4526 7.6161 7.6161 9.6253 9.6253 10.6507 10.6507 11.1579 11.1579 11.8024 11.8024 11.9525 11.9525 12.1589 12.1589 12.7140 12.7140 12.7361 12.7361 14.3560 14.3560 14.3648 14.3648 14.7131 14.7131 k = 0.0000 0.0000 0.2720 ( 4462 PWs) bands (ev): -28.7000 -28.7000 -28.6932 -28.6932 -10.0795 -10.0795 -10.0476 -10.0476 -9.7310 -9.7310 -9.6895 -9.6895 -9.6567 -9.6567 -9.6464 -9.6464 -0.2363 -0.2363 0.0623 0.0623 5.4834 5.4834 5.5359 5.5359 5.9897 5.9897 6.0069 6.0069 6.1134 6.1134 6.1539 6.1539 7.2325 7.2325 7.2884 7.2884 7.4675 7.4675 7.5991 7.5991 9.7353 9.7353 10.5588 10.5588 11.2153 11.2153 11.7339 11.7339 12.0217 12.0217 12.2042 12.2042 12.6506 12.6506 12.6546 12.6546 14.3902 14.3902 14.4078 14.4078 14.6823 14.6823 k = 0.0000 0.0000 0.2863 ( 4462 PWs) bands (ev): -28.6991 -28.6991 -28.6940 -28.6940 -10.0750 -10.0750 -10.0509 -10.0509 -9.7266 -9.7266 -9.6953 -9.6953 -9.6554 -9.6554 -9.6476 -9.6476 -0.2007 -0.2007 0.0244 0.0244 5.4897 5.4897 5.5293 5.5293 5.9970 5.9970 6.0084 6.0084 6.1071 6.1071 6.1404 6.1404 7.2401 7.2401 7.2816 7.2816 7.4829 7.4829 7.5821 7.5821 9.8448 9.8448 10.4643 10.4643 11.2748 11.2748 11.6654 11.6654 12.0934 12.0934 12.2527 12.2527 12.5662 12.5662 12.5942 12.5942 14.4257 14.4257 14.4531 14.4531 14.6484 14.6484 k = 0.0000 0.0000 0.3006 ( 4474 PWs) bands (ev): -28.6983 -28.6983 -28.6949 -28.6949 -10.0705 -10.0705 -10.0545 -10.0545 -9.7220 -9.7220 -9.7010 -9.7010 -9.6542 -9.6542 -9.6489 -9.6489 -0.1644 -0.1644 -0.0138 -0.0138 5.4962 5.4962 5.5226 5.5226 6.0030 6.0030 6.0097 6.0097 6.1042 6.1042 6.1281 6.1281 7.2474 7.2474 7.2748 7.2748 7.4988 7.4988 7.5651 7.5651 9.9532 9.9532 10.3671 10.3671 11.3362 11.3362 11.5974 11.5974 12.1674 12.1674 12.3042 12.3042 12.4831 12.4831 12.5337 12.5337 14.4623 14.4623 14.5005 14.5005 14.6125 14.6125 k = 0.0000 0.0000 0.3149 ( 4480 PWs) bands (ev): -28.6974 -28.6974 -28.6957 -28.6957 -10.0663 -10.0663 -10.0582 -10.0582 -9.7171 -9.7171 -9.7066 -9.7066 -9.6529 -9.6529 -9.6503 -9.6503 -0.1274 -0.1274 -0.0519 -0.0519 5.5027 5.5027 5.5159 5.5159 6.0072 6.0072 6.0102 6.0102 6.1052 6.1052 6.1177 6.1177 7.2544 7.2544 7.2680 7.2680 7.5150 7.5150 7.5482 7.5482 10.0600 10.0600 10.2672 10.2672 11.3993 11.3993 11.5302 11.5302 12.2435 12.2435 12.3585 12.3585 12.4015 12.4015 12.4738 12.4738 14.4997 14.4997 14.5499 14.5499 14.5753 14.5753 k = 0.0000 0.0000 0.3292 ( 4480 PWs) bands (ev): -28.6966 -28.6966 -28.6966 -28.6966 -10.0621 -10.0621 -10.0621 -10.0621 -9.7119 -9.7119 -9.7119 -9.7119 -9.6516 -9.6516 -9.6516 -9.6516 -0.0898 -0.0898 -0.0898 -0.0898 5.5093 5.5093 5.5093 5.5093 6.0096 6.0096 6.0096 6.0096 6.1098 6.1098 6.1098 6.1098 7.2613 7.2613 7.2613 7.2613 7.5315 7.5315 7.5315 7.5315 10.1647 10.1647 10.1647 10.1647 11.4641 11.4641 11.4641 11.4641 12.3216 12.3216 12.3216 12.3216 12.4152 12.4152 12.4152 12.4152 14.5375 14.5375 14.5375 14.5375 14.6014 14.6014 k = 0.0000 0.0000 0.3292 ( 4480 PWs) bands (ev): -28.6966 -28.6966 -28.6966 -28.6966 -10.0621 -10.0621 -10.0621 -10.0621 -9.7119 -9.7119 -9.7119 -9.7119 -9.6516 -9.6516 -9.6516 -9.6516 -0.0898 -0.0898 -0.0898 -0.0898 5.5093 5.5093 5.5093 5.5093 6.0096 6.0096 6.0096 6.0096 6.1098 6.1098 6.1098 6.1098 7.2613 7.2613 7.2613 7.2613 7.5315 7.5315 7.5315 7.5315 10.1647 10.1647 10.1647 10.1647 11.4641 11.4641 11.4641 11.4641 12.3216 12.3216 12.3216 12.3216 12.4152 12.4152 12.4152 12.4152 14.5375 14.5375 14.5375 14.5375 14.6014 14.6014 k = 0.0125 0.0072 0.3292 ( 4464 PWs) bands (ev): -28.6966 -28.6966 -28.6966 -28.6966 -10.0623 -10.0623 -10.0619 -10.0619 -9.7121 -9.7121 -9.7117 -9.7117 -9.6516 -9.6516 -9.6516 -9.6516 -0.0890 -0.0890 -0.0887 -0.0887 5.5094 5.5094 5.5094 5.5094 6.0028 6.0028 6.0146 6.0146 6.1004 6.1004 6.1209 6.1209 7.2541 7.2541 7.2682 7.2682 7.5321 7.5321 7.5321 7.5321 10.1586 10.1586 10.1662 10.1662 11.4536 11.4536 11.4597 11.4597 12.2670 12.2670 12.2697 12.2697 12.4691 12.4691 12.4772 12.4772 14.5335 14.5335 14.5415 14.5415 14.6015 14.6015 k = 0.0250 0.0144 0.3292 ( 4460 PWs) bands (ev): -28.6966 -28.6966 -28.6966 -28.6966 -10.0625 -10.0625 -10.0618 -10.0618 -9.7123 -9.7123 -9.7116 -9.7116 -9.6517 -9.6517 -9.6517 -9.6517 -0.0863 -0.0863 -0.0858 -0.0858 5.5096 5.5096 5.5097 5.5097 5.9952 5.9952 6.0168 6.0168 6.0940 6.0940 6.1328 6.1328 7.2467 7.2467 7.2747 7.2747 7.5340 7.5340 7.5342 7.5342 10.1479 10.1479 10.1629 10.1629 11.4288 11.4288 11.4407 11.4407 12.1871 12.1871 12.1938 12.1938 12.5575 12.5575 12.5717 12.5717 14.5283 14.5283 14.5452 14.5452 14.6017 14.6028 k = 0.0375 0.0217 0.3292 ( 4460 PWs) bands (ev): -28.6965 -28.6965 -28.6965 -28.6965 -10.0627 -10.0627 -10.0617 -10.0617 -9.7126 -9.7126 -9.7114 -9.7114 -9.6520 -9.6520 -9.6520 -9.6520 -0.0817 -0.0817 -0.0811 -0.0811 5.5100 5.5100 5.5103 5.5103 5.9873 5.9873 6.0149 6.0149 6.0915 6.0915 6.1451 6.1451 7.2393 7.2393 7.2807 7.2807 7.5370 7.5370 7.5378 7.5378 10.1322 10.1322 10.1542 10.1542 11.3915 11.3915 11.4088 11.4088 12.1098 12.1098 12.1197 12.1197 12.6513 12.6513 12.6718 12.6718 14.5206 14.5206 14.5471 14.5471 14.6045 14.6047 k = 0.0500 0.0289 0.3292 ( 4464 PWs) bands (ev): -28.6965 -28.6965 -28.6965 -28.6965 -10.0630 -10.0630 -10.0616 -10.0616 -9.7128 -9.7128 -9.7113 -9.7113 -9.6523 -9.6523 -9.6523 -9.6523 -0.0754 -0.0754 -0.0745 -0.0745 5.5104 5.5104 5.5111 5.5111 5.9795 5.9795 6.0090 6.0090 6.0933 6.0933 6.1574 6.1574 7.2321 7.2321 7.2861 7.2861 7.5411 7.5411 7.5428 7.5428 10.1110 10.1110 10.1395 10.1395 11.3443 11.3443 11.3664 11.3664 12.0372 12.0372 12.0492 12.0492 12.7466 12.7466 12.7733 12.7733 14.5101 14.5101 14.5453 14.5453 14.6124 14.6125 k = 0.0625 0.0361 0.3292 ( 4466 PWs) bands (ev): -28.6965 -28.6965 -28.6965 -28.6965 -10.0632 -10.0632 -10.0615 -10.0615 -9.7131 -9.7131 -9.7112 -9.7112 -9.6528 -9.6528 -9.6527 -9.6527 -0.0673 -0.0673 -0.0662 -0.0662 5.5107 5.5107 5.5120 5.5120 5.9720 5.9720 6.0000 6.0000 6.0983 6.0983 6.1697 6.1697 7.2250 7.2250 7.2909 7.2909 7.5460 7.5460 7.5492 7.5492 10.0839 10.0839 10.1179 10.1179 11.2902 11.2902 11.3170 11.3170 11.9688 11.9688 11.9820 11.9820 12.8411 12.8411 12.8742 12.8742 14.4974 14.4974 14.5401 14.5401 14.6263 14.6275 k = 0.0750 0.0433 0.3292 ( 4468 PWs) bands (ev): -28.6965 -28.6965 -28.6965 -28.6965 -10.0635 -10.0635 -10.0615 -10.0615 -9.7134 -9.7134 -9.7112 -9.7112 -9.6533 -9.6533 -9.6532 -9.6532 -0.0574 -0.0574 -0.0561 -0.0561 5.5108 5.5108 5.5131 5.5131 5.9650 5.9650 5.9893 5.9893 6.1053 6.1053 6.1817 6.1817 7.2182 7.2182 7.2952 7.2952 7.5517 7.5517 7.5570 7.5570 10.0498 10.0498 10.0884 10.0884 11.2326 11.2326 11.2642 11.2642 11.9035 11.9035 11.9170 11.9170 12.9332 12.9332 12.9724 12.9724 14.4842 14.4842 14.5337 14.5337 14.6450 14.6454 k = 0.0875 0.0505 0.3292 ( 4468 PWs) bands (ev): -28.6964 -28.6964 -28.6964 -28.6964 -10.0638 -10.0638 -10.0615 -10.0615 -9.7137 -9.7137 -9.7111 -9.7111 -9.6539 -9.6539 -9.6538 -9.6538 -0.0457 -0.0457 -0.0442 -0.0442 5.5107 5.5107 5.5142 5.5142 5.9589 5.9589 5.9778 5.9778 6.1136 6.1136 6.1934 6.1934 7.2118 7.2118 7.2989 7.2989 7.5582 7.5582 7.5660 7.5660 10.0082 10.0082 10.0500 10.0500 11.1745 11.1745 11.2115 11.2115 11.8400 11.8400 11.8535 11.8535 13.0212 13.0212 13.0664 13.0664 14.4722 14.4722 14.5285 14.5285 14.6676 14.6697 k = 0.1000 0.0577 0.3292 ( 4464 PWs) bands (ev): -28.6964 -28.6964 -28.6964 -28.6964 -10.0641 -10.0641 -10.0615 -10.0615 -9.7140 -9.7140 -9.7111 -9.7111 -9.6545 -9.6545 -9.6545 -9.6545 -0.0324 -0.0324 -0.0307 -0.0307 5.5101 5.5101 5.5154 5.5154 5.9536 5.9536 5.9662 5.9662 6.1225 6.1225 6.2048 6.2048 7.2059 7.2059 7.3020 7.3020 7.5652 7.5652 7.5761 7.5761 9.9583 9.9583 10.0021 10.0021 11.1184 11.1184 11.1618 11.1618 11.7774 11.7774 11.7906 11.7906 13.1035 13.1035 13.1543 13.1543 14.4629 14.4629 14.5264 14.5264 14.6933 14.6933 k = 0.1125 0.0650 0.3292 ( 4464 PWs) bands (ev): -28.6963 -28.6963 -28.6963 -28.6963 -10.0644 -10.0644 -10.0615 -10.0615 -9.7144 -9.7144 -9.7111 -9.7111 -9.6553 -9.6553 -9.6552 -9.6552 -0.0175 -0.0175 -0.0156 -0.0156 5.5091 5.5091 5.5164 5.5164 5.9495 5.9495 5.9548 5.9548 6.1319 6.1319 6.2158 6.2158 7.2005 7.2005 7.3048 7.3048 7.5727 7.5727 7.5872 7.5872 9.8998 9.8998 9.9442 9.9442 11.0663 11.0663 11.1171 11.1171 11.7151 11.7151 11.7281 11.7281 13.1784 13.1784 13.2344 13.2344 14.4580 14.4580 14.5296 14.5296 14.7214 14.7216 k = 0.1250 0.0722 0.3292 ( 4468 PWs) bands (ev): -28.6963 -28.6963 -28.6962 -28.6962 -10.0648 -10.0648 -10.0616 -10.0616 -9.7147 -9.7147 -9.7111 -9.7111 -9.6561 -9.6561 -9.6560 -9.6560 -0.0010 -0.0010 0.0011 0.0011 5.5075 5.5075 5.5172 5.5172 5.9441 5.9441 5.9465 5.9465 6.1416 6.1416 6.2265 6.2265 7.1957 7.1957 7.3072 7.3072 7.5806 7.5806 7.5991 7.5991 9.8327 9.8327 9.8768 9.8768 11.0192 11.0192 11.0783 11.0783 11.6531 11.6531 11.6658 11.6658 13.2445 13.2445 13.3049 13.3049 14.4587 14.4587 14.5394 14.5394 14.7516 14.7520 k = 0.1375 0.0794 0.3292 ( 4468 PWs) bands (ev): -28.6962 -28.6962 -28.6962 -28.6962 -10.0651 -10.0651 -10.0617 -10.0617 -9.7151 -9.7151 -9.7111 -9.7111 -9.6570 -9.6570 -9.6568 -9.6568 0.0169 0.0169 0.0192 0.0192 5.5052 5.5052 5.5176 5.5176 5.9342 5.9342 5.9449 5.9449 6.1514 6.1514 6.2369 6.2369 7.1914 7.1914 7.3093 7.3093 7.5888 7.5888 7.6116 7.6116 9.7575 9.7575 9.8004 9.8004 10.9774 10.9774 11.0454 11.0454 11.5914 11.5914 11.6040 11.6040 13.3005 13.3005 13.3646 13.3646 14.4662 14.4662 14.5573 14.5573 14.7836 14.7873 k = 0.1500 0.0866 0.3292 ( 4464 PWs) bands (ev): -28.6961 -28.6961 -28.6961 -28.6961 -10.0655 -10.0655 -10.0618 -10.0618 -9.7154 -9.7154 -9.7112 -9.7112 -9.6579 -9.6579 -9.6577 -9.6577 0.0363 0.0363 0.0387 0.0387 5.5023 5.5023 5.5177 5.5177 5.9254 5.9254 5.9446 5.9446 6.1614 6.1614 6.2469 6.2469 7.1877 7.1877 7.3111 7.3111 7.5972 7.5972 7.6246 7.6246 9.6750 9.6750 9.7162 9.7162 10.9404 10.9404 11.0177 11.0177 11.5306 11.5306 11.5432 11.5432 13.3456 13.3456 13.4125 13.4125 14.4809 14.4809 14.5836 14.5836 14.8169 14.8180 k = 0.1625 0.0938 0.3292 ( 4466 PWs) bands (ev): -28.6961 -28.6961 -28.6960 -28.6960 -10.0658 -10.0658 -10.0619 -10.0619 -9.7158 -9.7158 -9.7113 -9.7113 -9.6589 -9.6589 -9.6586 -9.6586 0.0569 0.0569 0.0595 0.0595 5.4987 5.4987 5.5173 5.5173 5.9178 5.9178 5.9457 5.9457 6.1714 6.1714 6.2567 6.2567 7.1846 7.1846 7.3128 7.3128 7.6058 7.6058 7.6379 7.6379 9.5863 9.5863 9.6256 9.6256 10.9071 10.9071 10.9935 10.9935 11.4717 11.4717 11.4841 11.4841 13.3796 13.3796 13.4485 13.4485 14.5027 14.5027 14.6180 14.6180 14.8512 14.8513 k = 0.1750 0.1010 0.3292 ( 4468 PWs) bands (ev): -28.6960 -28.6960 -28.6960 -28.6960 -10.0662 -10.0662 -10.0621 -10.0621 -9.7162 -9.7162 -9.7114 -9.7114 -9.6600 -9.6600 -9.6596 -9.6596 0.0788 0.0788 0.0815 0.0815 5.4944 5.4944 5.5163 5.5163 5.9116 5.9116 5.9482 5.9482 6.1815 6.1815 6.2661 6.2661 7.1821 7.1821 7.3143 7.3143 7.6145 7.6145 7.6515 7.6515 9.4927 9.4927 9.5300 9.5300 10.8762 10.8762 10.9709 10.9709 11.4161 11.4161 11.4278 11.4278 13.4030 13.4030 13.4732 13.4732 14.5307 14.5307 14.6592 14.6592 14.8862 14.8908 k = 0.1875 0.1083 0.3292 ( 4470 PWs) bands (ev): -28.6959 -28.6959 -28.6959 -28.6959 -10.0665 -10.0665 -10.0623 -10.0623 -9.7166 -9.7166 -9.7116 -9.7116 -9.6610 -9.6610 -9.6606 -9.6606 0.1018 0.1018 0.1046 0.1046 5.4896 5.4896 5.5147 5.5147 5.9068 5.9068 5.9520 5.9520 6.1917 6.1917 6.2752 6.2752 7.1801 7.1801 7.3157 7.3157 7.6233 7.6233 7.6651 7.6651 9.3953 9.3953 9.4309 9.4309 10.8460 10.8460 10.9473 10.9473 11.3655 11.3655 11.3755 11.3755 13.4169 13.4169 13.4880 13.4880 14.5633 14.5633 14.7052 14.7052 14.9216 14.9242 k = 0.2000 0.1155 0.3292 ( 4478 PWs) bands (ev): -28.6958 -28.6958 -28.6958 -28.6958 -10.0669 -10.0669 -10.0626 -10.0626 -9.7170 -9.7170 -9.7117 -9.7117 -9.6621 -9.6621 -9.6616 -9.6616 0.1257 0.1257 0.1286 0.1286 5.4843 5.4843 5.5125 5.5125 5.9034 5.9034 5.9569 5.9569 6.2019 6.2019 6.2841 6.2841 7.1786 7.1786 7.3169 7.3169 7.6319 7.6319 7.6786 7.6786 9.2954 9.2954 9.3294 9.3294 10.8145 10.8145 10.9201 10.9201 11.3220 11.3220 11.3285 11.3285 13.4228 13.4228 13.4944 13.4944 14.5983 14.5983 14.7531 14.7531 14.9564 14.9564 k = 0.2125 0.1227 0.3292 ( 4478 PWs) bands (ev): -28.6957 -28.6957 -28.6957 -28.6957 -10.0673 -10.0673 -10.0628 -10.0628 -9.7174 -9.7174 -9.7119 -9.7119 -9.6632 -9.6632 -9.6626 -9.6626 0.1505 0.1505 0.1536 0.1536 5.4786 5.4786 5.5098 5.5098 5.9015 5.9015 5.9629 5.9629 6.2120 6.2120 6.2926 6.2926 7.1776 7.1776 7.3181 7.3181 7.6405 7.6405 7.6920 7.6920 9.1939 9.1939 9.2268 9.2268 10.7800 10.7800 10.8869 10.8869 11.2873 11.2873 11.2880 11.2880 13.4225 13.4225 13.4943 13.4943 14.6337 14.6337 14.7999 14.7999 14.9907 14.9907 k = 0.2250 0.1299 0.3292 ( 4476 PWs) bands (ev): -28.6956 -28.6956 -28.6956 -28.6956 -10.0676 -10.0676 -10.0631 -10.0631 -9.7178 -9.7178 -9.7122 -9.7122 -9.6643 -9.6643 -9.6636 -9.6636 0.1760 0.1760 0.1792 0.1792 5.4727 5.4727 5.5066 5.5066 5.9009 5.9009 5.9698 5.9698 6.2222 6.2222 6.3009 6.3009 7.1770 7.1770 7.3190 7.3190 7.6489 7.6489 7.7052 7.7052 9.0920 9.0920 9.1240 9.1240 10.7415 10.7415 10.8466 10.8466 11.2549 11.2549 11.2624 11.2624 13.4176 13.4176 13.4894 13.4894 14.6672 14.6672 14.8424 14.8424 15.0241 15.0241 k = 0.2375 0.1371 0.3292 ( 4468 PWs) bands (ev): -28.6956 -28.6956 -28.6955 -28.6955 -10.0680 -10.0680 -10.0634 -10.0634 -9.7182 -9.7182 -9.7124 -9.7124 -9.6654 -9.6654 -9.6646 -9.6646 0.2022 0.2022 0.2054 0.2054 5.4668 5.4668 5.5031 5.5031 5.9017 5.9017 5.9775 5.9775 6.2324 6.2324 6.3088 6.3088 7.1769 7.1769 7.3198 7.3198 7.6570 7.6570 7.7179 7.7179 8.9905 8.9905 9.0220 9.0220 10.6982 10.6982 10.7992 10.7992 11.2296 11.2296 11.2466 11.2466 13.4096 13.4096 13.4812 13.4812 14.6970 14.6970 14.8775 14.8775 15.0566 15.0566 k = 0.2500 0.1443 0.3292 ( 4468 PWs) bands (ev): -28.6955 -28.6955 -28.6954 -28.6954 -10.0683 -10.0683 -10.0637 -10.0637 -9.7185 -9.7185 -9.7127 -9.7127 -9.6665 -9.6665 -9.6656 -9.6656 0.2288 0.2288 0.2321 0.2321 5.4609 5.4609 5.4993 5.4993 5.9036 5.9036 5.9857 5.9857 6.2424 6.2424 6.3164 6.3164 7.1771 7.1771 7.3204 7.3204 7.6649 7.6649 7.7302 7.7302 8.8901 8.8901 8.9215 8.9215 10.6503 10.6503 10.7459 10.7459 11.2116 11.2116 11.2385 11.2385 13.4000 13.4000 13.4710 13.4710 14.7216 14.7216 14.9026 14.9026 15.0890 15.0890 k = 0.2625 0.1516 0.3292 ( 4468 PWs) bands (ev): -28.6954 -28.6954 -28.6954 -28.6954 -10.0687 -10.0687 -10.0640 -10.0640 -9.7189 -9.7189 -9.7130 -9.7130 -9.6675 -9.6675 -9.6666 -9.6666 0.2557 0.2557 0.2590 0.2590 5.4552 5.4552 5.4954 5.4954 5.9066 5.9066 5.9944 5.9944 6.2524 6.2524 6.3235 6.3235 7.1777 7.1777 7.3207 7.3207 7.6723 7.6723 7.7418 7.7418 8.7918 8.7918 8.8233 8.8233 10.5985 10.5985 10.6885 10.6885 11.2002 11.2002 11.2363 11.2363 13.3898 13.3898 13.4600 13.4600 14.7400 14.7400 14.9163 14.9163 15.1221 15.1221 k = 0.2750 0.1588 0.3292 ( 4460 PWs) bands (ev): -28.6953 -28.6953 -28.6953 -28.6953 -10.0690 -10.0690 -10.0644 -10.0644 -9.7193 -9.7193 -9.7133 -9.7133 -9.6686 -9.6686 -9.6676 -9.6676 0.2827 0.2827 0.2861 0.2861 5.4499 5.4499 5.4914 5.4914 5.9105 5.9105 6.0033 6.0033 6.2621 6.2621 6.3301 6.3301 7.1786 7.1786 7.3207 7.3207 7.6794 7.6794 7.7527 7.7527 8.6960 8.6960 8.7280 8.7280 10.5438 10.5438 10.6284 10.6284 11.1941 11.1941 11.2383 11.2383 13.3801 13.3801 13.4492 13.4492 14.7516 14.7516 14.9189 14.9189 15.1563 15.1563 k = 0.2875 0.1660 0.3292 ( 4452 PWs) bands (ev): -28.6952 -28.6952 -28.6952 -28.6952 -10.0693 -10.0693 -10.0647 -10.0647 -9.7196 -9.7196 -9.7137 -9.7137 -9.6695 -9.6695 -9.6685 -9.6685 0.3097 0.3097 0.3131 0.3131 5.4450 5.4450 5.4876 5.4876 5.9151 5.9151 6.0123 6.0123 6.2716 6.2716 6.3360 6.3360 7.1798 7.1798 7.3203 7.3203 7.6858 7.6858 7.7628 7.7628 8.6036 8.6036 8.6363 8.6363 10.4873 10.4873 10.5670 10.5670 11.1924 11.1924 11.2430 11.2430 13.3718 13.3718 13.4392 13.4392 14.7562 14.7562 14.9117 14.9117 15.1913 15.1913 k = 0.3000 0.1732 0.3292 ( 4456 PWs) bands (ev): -28.6951 -28.6951 -28.6951 -28.6951 -10.0696 -10.0696 -10.0651 -10.0651 -9.7200 -9.7200 -9.7141 -9.7141 -9.6705 -9.6705 -9.6694 -9.6694 0.3365 0.3365 0.3398 0.3398 5.4407 5.4407 5.4840 5.4840 5.9205 5.9205 6.0213 6.0213 6.2807 6.2807 6.3411 6.3411 7.1812 7.1812 7.3194 7.3194 7.6917 7.6917 7.7719 7.7719 8.5151 8.5151 8.5488 8.5488 10.4299 10.4299 10.5052 10.5052 11.1940 11.1940 11.2496 11.2496 13.3654 13.3654 13.4309 13.4309 14.7542 14.7542 14.8967 14.8967 15.2266 15.2266 k = 0.3125 0.1804 0.3292 ( 4462 PWs) bands (ev): -28.6950 -28.6950 -28.6950 -28.6950 -10.0698 -10.0698 -10.0655 -10.0655 -9.7203 -9.7203 -9.7145 -9.7145 -9.6714 -9.6714 -9.6703 -9.6703 0.3629 0.3629 0.3662 0.3662 5.4371 5.4371 5.4807 5.4807 5.9263 5.9263 6.0301 6.0301 6.2893 6.2893 6.3454 6.3454 7.1828 7.1828 7.3179 7.3179 7.6969 7.6969 7.7797 7.7797 8.4313 8.4313 8.4660 8.4660 10.3727 10.3727 10.4438 10.4438 11.1980 11.1980 11.2570 11.2570 13.3615 13.3615 13.4246 13.4246 14.7458 14.7458 14.8754 14.8754 15.2618 15.2618 k = 0.3250 0.1876 0.3292 ( 4458 PWs) bands (ev): -28.6950 -28.6950 -28.6949 -28.6949 -10.0701 -10.0701 -10.0659 -10.0659 -9.7206 -9.7206 -9.7150 -9.7150 -9.6723 -9.6723 -9.6711 -9.6711 0.3887 0.3887 0.3920 0.3920 5.4342 5.4342 5.4779 5.4779 5.9327 5.9327 6.0386 6.0386 6.2972 6.2972 6.3485 6.3485 7.1846 7.1846 7.3158 7.3158 7.7012 7.7012 7.7862 7.7862 8.3527 8.3527 8.3886 8.3886 10.3162 10.3162 10.3836 10.3836 11.2037 11.2037 11.2648 11.2648 13.3606 13.3606 13.4208 13.4208 14.7318 14.7318 14.8491 14.8491 15.2965 15.2965 k = 0.3375 0.1949 0.3292 ( 4458 PWs) bands (ev): -28.6949 -28.6949 -28.6949 -28.6949 -10.0703 -10.0703 -10.0663 -10.0663 -9.7208 -9.7208 -9.7154 -9.7154 -9.6731 -9.6731 -9.6719 -9.6719 0.4139 0.4139 0.4170 0.4170 5.4320 5.4320 5.4754 5.4754 5.9395 5.9395 6.0468 6.0468 6.3045 6.3045 6.3505 6.3505 7.1866 7.1866 7.3130 7.3130 7.7046 7.7046 7.7909 7.7909 8.2802 8.2802 8.3170 8.3170 10.2613 10.2613 10.3251 10.3251 11.2107 11.2107 11.2725 11.2725 13.3630 13.3630 13.4198 13.4198 14.7127 14.7127 14.8186 14.8186 15.3304 15.3304 k = 0.3500 0.2021 0.3292 ( 4458 PWs) bands (ev): -28.6948 -28.6948 -28.6948 -28.6948 -10.0705 -10.0705 -10.0667 -10.0667 -9.7211 -9.7211 -9.7159 -9.7159 -9.6738 -9.6738 -9.6727 -9.6727 0.4381 0.4381 0.4411 0.4411 5.4307 5.4307 5.4733 5.4733 5.9468 5.9468 6.0545 6.0545 6.3109 6.3109 6.3512 6.3512 7.1887 7.1887 7.3094 7.3094 7.7069 7.7069 7.7934 7.7934 8.2143 8.2143 8.2517 8.2517 10.2084 10.2084 10.2686 10.2686 11.2183 11.2183 11.2797 11.2797 13.3686 13.3686 13.4218 13.4218 14.6891 14.6891 14.7847 14.7847 15.3633 15.3633 k = 0.3625 0.2093 0.3292 ( 4456 PWs) bands (ev): -28.6947 -28.6947 -28.6947 -28.6947 -10.0707 -10.0707 -10.0671 -10.0671 -9.7213 -9.7213 -9.7163 -9.7163 -9.6745 -9.6745 -9.6734 -9.6734 0.4612 0.4612 0.4640 0.4640 5.4302 5.4302 5.4717 5.4717 5.9543 5.9543 6.0616 6.0616 6.3163 6.3163 6.3505 6.3505 7.1909 7.1909 7.3049 7.3049 7.7080 7.7080 7.7935 7.7935 8.1560 8.1560 8.1932 8.1932 10.1581 10.1581 10.2147 10.2147 11.2264 11.2264 11.2862 11.2862 13.3777 13.3777 13.4267 13.4267 14.6618 14.6618 14.7480 14.7480 15.3949 15.3951 k = 0.3750 0.2165 0.3292 ( 4456 PWs) bands (ev): -28.6947 -28.6947 -28.6947 -28.6947 -10.0709 -10.0709 -10.0675 -10.0675 -9.7215 -9.7215 -9.7168 -9.7168 -9.6751 -9.6751 -9.6741 -9.6741 0.4830 0.4830 0.4857 0.4857 5.4304 5.4304 5.4704 5.4704 5.9623 5.9623 6.0680 6.0680 6.3206 6.3206 6.3485 6.3485 7.1933 7.1933 7.2995 7.2995 7.7078 7.7078 7.7905 7.7905 8.1058 8.1058 8.1418 8.1418 10.1109 10.1109 10.1637 10.1637 11.2346 11.2346 11.2918 11.2918 13.3901 13.3901 13.4347 13.4347 14.6314 14.6314 14.7088 14.7088 15.4250 15.4253 k = 0.3875 0.2237 0.3292 ( 4480 PWs) bands (ev): -28.6946 -28.6946 -28.6946 -28.6946 -10.0710 -10.0710 -10.0680 -10.0680 -9.7217 -9.7217 -9.7174 -9.7174 -9.6757 -9.6757 -9.6747 -9.6747 0.5033 0.5033 0.5058 0.5058 5.4314 5.4314 5.4694 5.4694 5.9707 5.9707 6.0735 6.0735 6.3238 6.3238 6.3453 6.3453 7.1957 7.1957 7.2934 7.2934 7.7062 7.7062 7.7842 7.7842 8.0643 8.0643 8.0977 8.0977 10.0671 10.0671 10.1160 10.1160 11.2426 11.2426 11.2965 11.2965 13.4054 13.4054 13.4453 13.4453 14.5986 14.5986 14.6679 14.6679 15.4531 15.4536 k = 0.4000 0.2309 0.3292 ( 4476 PWs) bands (ev): -28.6946 -28.6946 -28.6946 -28.6946 -10.0711 -10.0711 -10.0683 -10.0683 -9.7217 -9.7217 -9.7178 -9.7178 -9.6762 -9.6762 -9.6753 -9.6753 0.5221 0.5221 0.5244 0.5244 5.4331 5.4331 5.4686 5.4686 5.9795 5.9795 6.0781 6.0781 6.3258 6.3258 6.3410 6.3410 7.1983 7.1983 7.2865 7.2865 7.7033 7.7033 7.7745 7.7745 8.0316 8.0316 8.0608 8.0608 10.0273 10.0273 10.0719 10.0719 11.2505 11.2505 11.3001 11.3001 13.4233 13.4233 13.4584 13.4584 14.5643 14.5643 14.6260 14.6260 15.4792 15.4795 k = 0.4125 0.2382 0.3292 ( 4466 PWs) bands (ev): -28.6945 -28.6945 -28.6945 -28.6945 -10.0712 -10.0712 -10.0687 -10.0687 -9.7218 -9.7218 -9.7183 -9.7183 -9.6766 -9.6766 -9.6757 -9.6757 0.5391 0.5391 0.5412 0.5412 5.4354 5.4354 5.4679 5.4679 5.9887 5.9887 6.0815 6.0815 6.3266 6.3266 6.3360 6.3360 7.2010 7.2010 7.2790 7.2790 7.6994 7.6994 7.7621 7.7621 8.0070 8.0070 8.0309 8.0309 9.9916 9.9916 10.0318 10.0318 11.2579 11.2579 11.3028 11.3028 13.4432 13.4432 13.4734 13.4734 14.5296 14.5296 14.5838 14.5838 15.5026 15.5033 k = 0.4250 0.2454 0.3292 ( 4460 PWs) bands (ev): -28.6945 -28.6945 -28.6945 -28.6945 -10.0712 -10.0712 -10.0690 -10.0690 -9.7218 -9.7218 -9.7187 -9.7187 -9.6769 -9.6769 -9.6762 -9.6762 0.5542 0.5542 0.5560 0.5560 5.4382 5.4382 5.4672 5.4672 5.9983 5.9983 6.0834 6.0834 6.3263 6.3263 6.3308 6.3308 7.2038 7.2038 7.2711 7.2711 7.6948 7.6948 7.7480 7.7480 7.9892 7.9892 8.0074 8.0074 9.9606 9.9606 9.9958 9.9958 11.2650 11.2650 11.3044 11.3044 13.4644 13.4644 13.4896 13.4896 14.4955 14.4955 14.5424 14.5424 15.5233 15.5252 k = 0.4375 0.2526 0.3292 ( 4458 PWs) bands (ev): -28.6944 -28.6944 -28.6944 -28.6944 -10.0712 -10.0712 -10.0693 -10.0693 -9.7217 -9.7217 -9.7191 -9.7191 -9.6772 -9.6772 -9.6766 -9.6766 0.5672 0.5672 0.5687 0.5687 5.4413 5.4413 5.4664 5.4664 6.0083 6.0083 6.0838 6.0838 6.3251 6.3251 6.3256 6.3256 7.2068 7.2068 7.2631 7.2631 7.6902 7.6902 7.7336 7.7336 7.9768 7.9768 7.9896 7.9896 9.9343 9.9343 9.9643 9.9643 11.2715 11.2715 11.3051 11.3051 13.4857 13.4857 13.5062 13.5062 14.4635 14.4635 14.5030 14.5030 15.5408 15.5411 k = 0.4500 0.2598 0.3292 ( 4452 PWs) bands (ev): -28.6944 -28.6944 -28.6944 -28.6944 -10.0711 -10.0711 -10.0696 -10.0696 -9.7216 -9.7216 -9.7195 -9.7195 -9.6774 -9.6774 -9.6769 -9.6769 0.5781 0.5781 0.5793 0.5793 5.4446 5.4446 5.4653 5.4653 6.0186 6.0186 6.0824 6.0824 6.3211 6.3211 6.3232 6.3232 7.2102 7.2102 7.2551 7.2551 7.6862 7.6862 7.7199 7.7199 7.9682 7.9682 7.9767 7.9767 9.9131 9.9131 9.9376 9.9376 11.2776 11.2776 11.3048 11.3048 13.5062 13.5062 13.5220 13.5220 14.4348 14.4348 14.4669 14.4669 15.5550 15.5555 k = 0.4625 0.2670 0.3292 ( 4448 PWs) bands (ev): -28.6944 -28.6944 -28.6944 -28.6944 -10.0710 -10.0710 -10.0699 -10.0699 -9.7215 -9.7215 -9.7199 -9.7199 -9.6776 -9.6776 -9.6772 -9.6772 0.5867 0.5867 0.5876 0.5876 5.4480 5.4480 5.4640 5.4640 6.0290 6.0290 6.0791 6.0791 6.3176 6.3176 6.3208 6.3208 7.2138 7.2138 7.2475 7.2475 7.6832 7.6832 7.7079 7.7079 7.9625 7.9625 7.9676 7.9676 9.8972 9.8972 9.9158 9.9158 11.2831 11.2831 11.3038 11.3038 13.5244 13.5244 13.5360 13.5360 14.4112 14.4112 14.4356 14.4356 15.5656 15.5658 k = 0.4750 0.2742 0.3292 ( 4444 PWs) bands (ev): -28.6943 -28.6943 -28.6943 -28.6943 -10.0709 -10.0709 -10.0702 -10.0702 -9.7213 -9.7213 -9.7203 -9.7203 -9.6776 -9.6776 -9.6774 -9.6774 0.5929 0.5929 0.5935 0.5935 5.4514 5.4514 5.4622 5.4622 6.0394 6.0394 6.0739 6.0739 6.3154 6.3154 6.3184 6.3184 7.2179 7.2179 7.2403 7.2403 7.6819 7.6819 7.6980 7.6980 7.9589 7.9589 7.9617 7.9617 9.8866 9.8866 9.8991 9.8991 11.2880 11.2880 11.3020 11.3020 13.5392 13.5392 13.5467 13.5467 14.3942 14.3942 14.4107 14.4107 15.5733 15.5738 k = 0.4875 0.2815 0.3292 ( 4444 PWs) bands (ev): -28.6943 -28.6943 -28.6943 -28.6943 -10.0708 -10.0708 -10.0704 -10.0704 -9.7211 -9.7211 -9.7206 -9.7206 -9.6777 -9.6777 -9.6775 -9.6775 0.5967 0.5967 0.5971 0.5971 5.4546 5.4546 5.4600 5.4600 6.0494 6.0494 6.0670 6.0670 6.3145 6.3145 6.3164 6.3164 7.2226 7.2226 7.2337 7.2337 7.6825 7.6825 7.6904 7.6904 7.9570 7.9570 7.9582 7.9582 9.8815 9.8815 9.8878 9.8878 11.2924 11.2924 11.2994 11.2994 13.5493 13.5493 13.5530 13.5530 14.3850 14.3850 14.3933 14.3933 15.5782 15.5790 k = 0.5000 0.2887 0.3292 ( 4444 PWs) bands (ev): -28.6943 -28.6943 -28.6943 -28.6943 -10.0706 -10.0706 -10.0706 -10.0706 -9.7209 -9.7209 -9.7209 -9.7209 -9.6776 -9.6776 -9.6776 -9.6776 0.5981 0.5981 0.5981 0.5981 5.4575 5.4575 5.4575 5.4575 6.0587 6.0587 6.0587 6.0587 6.3149 6.3149 6.3149 6.3149 7.2278 7.2278 7.2278 7.2278 7.6853 7.6853 7.6853 7.6853 7.9568 7.9568 7.9568 7.9568 9.8819 9.8819 9.8819 9.8819 11.2962 11.2962 11.2962 11.2962 13.5540 13.5540 13.5540 13.5540 14.3847 14.3847 14.3847 14.3847 15.5806 15.5806 k = 0.5000 0.2887 0.3292 ( 4444 PWs) bands (ev): -28.6943 -28.6943 -28.6943 -28.6943 -10.0706 -10.0706 -10.0706 -10.0706 -9.7209 -9.7209 -9.7209 -9.7209 -9.6776 -9.6776 -9.6776 -9.6776 0.5981 0.5981 0.5981 0.5981 5.4575 5.4575 5.4575 5.4575 6.0587 6.0587 6.0587 6.0587 6.3149 6.3149 6.3149 6.3149 7.2278 7.2278 7.2278 7.2278 7.6853 7.6853 7.6853 7.6853 7.9568 7.9568 7.9568 7.9568 9.8819 9.8819 9.8819 9.8819 11.2962 11.2962 11.2962 11.2962 13.5540 13.5540 13.5540 13.5540 14.3847 14.3847 14.3847 14.3847 15.5806 15.5806 k = 0.4928 0.3012 0.3292 ( 4444 PWs) bands (ev): -28.6943 -28.6943 -28.6943 -28.6943 -10.0709 -10.0709 -10.0703 -10.0703 -9.7210 -9.7210 -9.7207 -9.7207 -9.6780 -9.6780 -9.6773 -9.6773 0.5977 0.5977 0.5992 0.5992 5.4518 5.4518 5.4647 5.4647 6.0475 6.0475 6.0707 6.0707 6.3040 6.3040 6.3256 6.3256 7.2098 7.2098 7.2457 7.2457 7.6716 7.6716 7.6990 7.6990 7.9491 7.9491 7.9636 7.9636 9.8640 9.8640 9.8881 9.8881 11.2784 11.2784 11.3169 11.3169 13.5536 13.5536 13.5596 13.5596 14.3784 14.3784 14.4004 14.4004 15.5693 15.5698 k = 0.4855 0.3138 0.3292 ( 4442 PWs) bands (ev): -28.6943 -28.6943 -28.6943 -28.6943 -10.0711 -10.0711 -10.0701 -10.0701 -9.7211 -9.7211 -9.7205 -9.7205 -9.6785 -9.6785 -9.6771 -9.6771 0.5980 0.5980 0.6010 0.6010 5.4475 5.4475 5.4734 5.4734 6.0370 6.0370 6.0833 6.0833 6.2930 6.2930 6.3361 6.3361 7.1915 7.1915 7.2634 7.2634 7.6579 7.6579 7.7128 7.7128 7.9407 7.9407 7.9695 7.9695 9.8352 9.8352 9.8823 9.8823 11.2641 11.2641 11.3396 11.3396 13.5584 13.5584 13.5699 13.5699 14.3816 14.3816 14.4256 14.4256 15.5568 15.5568 k = 0.4783 0.3263 0.3292 ( 4442 PWs) bands (ev): -28.6943 -28.6943 -28.6943 -28.6943 -10.0714 -10.0714 -10.0698 -10.0698 -9.7211 -9.7211 -9.7203 -9.7203 -9.6790 -9.6790 -9.6770 -9.6770 0.5990 0.5990 0.6035 0.6035 5.4446 5.4446 5.4837 5.4837 6.0274 6.0274 6.0965 6.0965 6.2819 6.2819 6.3461 6.3461 7.1729 7.1729 7.2809 7.2809 7.6444 7.6444 7.7265 7.7265 7.9316 7.9316 7.9746 7.9746 9.7965 9.7965 9.8648 9.8648 11.2537 11.2537 11.3635 11.3635 13.5681 13.5681 13.5841 13.5841 14.3943 14.3943 14.4606 14.4606 15.5436 15.5436 k = 0.4710 0.3389 0.3292 ( 4450 PWs) bands (ev): -28.6943 -28.6943 -28.6943 -28.6943 -10.0717 -10.0717 -10.0696 -10.0696 -9.7211 -9.7211 -9.7200 -9.7200 -9.6796 -9.6796 -9.6770 -9.6770 0.6006 0.6006 0.6065 0.6065 5.4431 5.4431 5.4955 5.4955 6.0186 6.0186 6.1102 6.1102 6.2708 6.2708 6.3557 6.3557 7.1541 7.1541 7.2984 7.2984 7.6309 7.6309 7.7399 7.7399 7.9219 7.9219 7.9788 7.9788 9.7490 9.7490 9.8365 9.8365 11.2470 11.2470 11.3878 11.3878 13.5818 13.5818 13.6012 13.6012 14.4167 14.4167 14.5054 14.5054 15.5293 15.5293 k = 0.4638 0.3514 0.3292 ( 4446 PWs) bands (ev): -28.6943 -28.6943 -28.6943 -28.6943 -10.0720 -10.0720 -10.0693 -10.0693 -9.7211 -9.7211 -9.7197 -9.7197 -9.6803 -9.6803 -9.6770 -9.6770 0.6028 0.6028 0.6103 0.6103 5.4428 5.4428 5.5088 5.5088 6.0106 6.0106 6.1242 6.1242 6.2599 6.2599 6.3648 6.3648 7.1349 7.1349 7.3158 7.3158 7.6175 7.6175 7.7529 7.7529 7.9121 7.9121 7.9823 7.9823 9.6943 9.6943 9.7984 9.7984 11.2440 11.2440 11.4118 11.4118 13.5984 13.5984 13.6201 13.6201 14.4488 14.4488 14.5600 14.5600 15.5138 15.5138 k = 0.4565 0.3640 0.3292 ( 4438 PWs) bands (ev): -28.6943 -28.6943 -28.6943 -28.6943 -10.0722 -10.0722 -10.0690 -10.0690 -9.7210 -9.7210 -9.7193 -9.7193 -9.6810 -9.6810 -9.6770 -9.6770 0.6057 0.6057 0.6146 0.6146 5.4436 5.4436 5.5237 5.5237 6.0036 6.0036 6.1384 6.1384 6.2492 6.2492 6.3733 6.3733 7.1153 7.1153 7.3331 7.3331 7.6041 7.6041 7.7649 7.7649 7.9027 7.9027 7.9851 7.9851 9.6336 9.6336 9.7521 9.7521 11.2440 11.2440 11.4349 11.4349 13.6167 13.6167 13.6399 13.6399 14.4907 14.4907 14.6239 14.6239 15.4968 15.4968 k = 0.4493 0.3765 0.3292 ( 4432 PWs) bands (ev): -28.6943 -28.6943 -28.6942 -28.6942 -10.0725 -10.0725 -10.0688 -10.0688 -9.7209 -9.7209 -9.7189 -9.7189 -9.6818 -9.6818 -9.6771 -9.6771 0.6091 0.6091 0.6194 0.6194 5.4455 5.4455 5.5400 5.5400 5.9974 5.9974 6.1526 6.1526 6.2390 6.2390 6.3812 6.3812 7.0954 7.0954 7.3504 7.3504 7.5909 7.5909 7.7749 7.7749 7.8945 7.8945 7.9874 7.9874 9.5682 9.5682 9.6993 9.6993 11.2465 11.2465 11.4568 11.4568 13.6356 13.6356 13.6597 13.6597 14.5418 14.5418 14.6966 14.6966 15.4781 15.4781 k = 0.4420 0.3891 0.3292 ( 4440 PWs) bands (ev): -28.6943 -28.6943 -28.6942 -28.6942 -10.0728 -10.0728 -10.0686 -10.0686 -9.7208 -9.7208 -9.7185 -9.7185 -9.6827 -9.6827 -9.6773 -9.6773 0.6130 0.6130 0.6246 0.6246 5.4484 5.4484 5.5578 5.5578 5.9920 5.9920 6.1661 6.1661 6.2294 6.2294 6.3885 6.3885 7.0751 7.0751 7.3676 7.3676 7.5777 7.5777 7.7816 7.7816 7.8889 7.8889 7.9894 7.9894 9.4994 9.4994 9.6417 9.6417 11.2509 11.2509 11.4774 11.4774 13.6541 13.6541 13.6790 13.6790 14.6012 14.6012 14.7769 14.7769 15.4577 15.4577 k = 0.4348 0.4016 0.3292 ( 4444 PWs) bands (ev): -28.6943 -28.6943 -28.6942 -28.6942 -10.0730 -10.0730 -10.0684 -10.0684 -9.7207 -9.7207 -9.7181 -9.7181 -9.6836 -9.6836 -9.6776 -9.6776 0.6173 0.6173 0.6303 0.6303 5.4521 5.4521 5.5769 5.5769 5.9875 5.9875 6.1781 6.1781 6.2214 6.2214 6.3952 6.3952 7.0544 7.0544 7.3846 7.3846 7.5649 7.5649 7.7834 7.7834 7.8874 7.8874 7.9913 7.9913 9.4284 9.4284 9.5809 9.5809 11.2566 11.2566 11.4965 11.4965 13.6717 13.6717 13.6975 13.6975 14.6673 14.6673 14.8634 14.8634 15.4358 15.4358 k = 0.4275 0.4142 0.3292 ( 4440 PWs) bands (ev): -28.6943 -28.6943 -28.6942 -28.6942 -10.0733 -10.0733 -10.0682 -10.0682 -9.7205 -9.7205 -9.7176 -9.7176 -9.6845 -9.6845 -9.6779 -9.6779 0.6221 0.6221 0.6363 0.6363 5.4564 5.4564 5.5973 5.5973 5.9839 5.9839 6.1861 6.1861 6.2171 6.2171 6.4014 6.4014 7.0333 7.0333 7.4015 7.4015 7.5523 7.5523 7.7796 7.7796 7.8905 7.8905 7.9937 7.9937 9.3561 9.3561 9.5185 9.5185 11.2631 11.2631 11.5141 11.5141 13.6880 13.6880 13.7149 13.7149 14.7383 14.7383 14.9542 14.9542 15.4130 15.4130 k = 0.4203 0.4267 0.3292 ( 4448 PWs) bands (ev): -28.6942 -28.6942 -28.6942 -28.6942 -10.0735 -10.0735 -10.0681 -10.0681 -9.7204 -9.7204 -9.7171 -9.7171 -9.6855 -9.6855 -9.6783 -9.6783 0.6271 0.6271 0.6424 0.6424 5.4614 5.4614 5.6188 5.6188 5.9810 5.9810 6.1863 6.1863 6.2198 6.2198 6.4073 6.4073 7.0120 7.0120 7.4179 7.4179 7.5404 7.5404 7.7710 7.7710 7.8972 7.8972 7.9969 7.9969 9.2836 9.2836 9.4559 9.4559 11.2701 11.2701 11.5302 11.5302 13.7030 13.7030 13.7311 13.7311 14.8115 14.8115 15.0469 15.0469 15.3898 15.3898 k = 0.4130 0.4393 0.3292 ( 4440 PWs) bands (ev): -28.6942 -28.6942 -28.6941 -28.6941 -10.0737 -10.0737 -10.0679 -10.0679 -9.7202 -9.7202 -9.7165 -9.7165 -9.6865 -9.6865 -9.6786 -9.6786 0.6323 0.6323 0.6488 0.6488 5.4668 5.4668 5.6414 5.6414 5.9789 5.9789 6.1809 6.1809 6.2269 6.2269 6.4131 6.4131 6.9904 6.9904 7.4337 7.4337 7.5293 7.5293 7.7589 7.7589 7.9052 7.9052 8.0020 8.0020 9.2117 9.2117 9.3943 9.3943 11.2771 11.2771 11.5450 11.5450 13.7166 13.7166 13.7462 13.7462 14.8841 14.8841 15.1383 15.1383 15.3677 15.3677 k = 0.4058 0.4518 0.3292 ( 4436 PWs) bands (ev): -28.6942 -28.6942 -28.6941 -28.6941 -10.0739 -10.0739 -10.0678 -10.0678 -9.7200 -9.7200 -9.7160 -9.7160 -9.6875 -9.6875 -9.6790 -9.6790 0.6377 0.6377 0.6552 0.6552 5.4724 5.4724 5.6649 5.6649 5.9775 5.9775 6.1738 6.1738 6.2342 6.2342 6.4192 6.4192 6.9687 6.9687 7.4481 7.4481 7.5199 7.5199 7.7447 7.7447 7.9127 7.9127 8.0097 8.0097 9.1413 9.1413 9.3349 9.3349 11.2840 11.2840 11.5583 11.5583 13.7290 13.7290 13.7603 13.7603 14.9530 14.9530 15.2224 15.2224 15.3492 15.3492 k = 0.3986 0.4644 0.3292 ( 4432 PWs) bands (ev): -28.6942 -28.6942 -28.6941 -28.6941 -10.0741 -10.0741 -10.0676 -10.0676 -9.7198 -9.7198 -9.7154 -9.7154 -9.6885 -9.6885 -9.6793 -9.6793 0.6430 0.6430 0.6616 0.6616 5.4782 5.4782 5.6889 5.6889 5.9767 5.9767 6.1664 6.1664 6.2396 6.2396 6.4258 6.4258 6.9471 6.9471 7.4597 7.4597 7.5137 7.5137 7.7292 7.7292 7.9183 7.9183 8.0206 8.0206 9.0730 9.0730 9.2786 9.2786 11.2906 11.2906 11.5703 11.5703 13.7402 13.7402 13.7734 13.7734 15.0149 15.0149 15.2788 15.2788 15.3427 15.3427 k = 0.3913 0.4769 0.3292 ( 4434 PWs) bands (ev): -28.6942 -28.6942 -28.6941 -28.6941 -10.0743 -10.0743 -10.0676 -10.0676 -9.7196 -9.7196 -9.7149 -9.7149 -9.6894 -9.6894 -9.6797 -9.6797 0.6483 0.6483 0.6677 0.6677 5.4840 5.4840 5.7133 5.7133 5.9766 5.9766 6.1592 6.1592 6.2423 6.2423 6.4333 6.4333 6.9257 6.9257 7.4658 7.4658 7.5133 7.5133 7.7133 7.7133 7.9217 7.9217 8.0347 8.0347 9.0078 9.0078 9.2262 9.2262 11.2967 11.2967 11.5810 11.5810 13.7502 13.7502 13.7855 13.7855 15.0668 15.0668 15.2848 15.2848 15.3379 15.3379 k = 0.3841 0.4895 0.3292 ( 4430 PWs) bands (ev): -28.6942 -28.6942 -28.6941 -28.6941 -10.0744 -10.0744 -10.0675 -10.0675 -9.7195 -9.7195 -9.7144 -9.7144 -9.6903 -9.6903 -9.6801 -9.6801 0.6534 0.6534 0.6736 0.6736 5.4896 5.4896 5.7377 5.7377 5.9770 5.9770 6.1524 6.1524 6.2420 6.2420 6.4416 6.4416 6.9049 6.9049 7.4655 7.4655 7.5197 7.5197 7.6972 7.6972 7.9229 7.9229 8.0514 8.0514 8.9462 8.9462 9.1786 9.1786 11.3022 11.3022 11.5905 11.5905 13.7592 13.7592 13.7966 13.7966 15.1057 15.1057 15.2766 15.2766 15.3230 15.3230 k = 0.3768 0.5020 0.3292 ( 4426 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0746 -10.0746 -10.0674 -10.0674 -9.7193 -9.7193 -9.7139 -9.7139 -9.6911 -9.6911 -9.6804 -9.6804 0.6582 0.6582 0.6791 0.6791 5.4949 5.4949 5.7616 5.7616 5.9779 5.9779 6.1460 6.1460 6.2387 6.2387 6.4505 6.4505 6.8850 6.8850 7.4616 7.4616 7.5301 7.5301 7.6815 7.6815 7.9227 7.9227 8.0697 8.0697 8.8893 8.8893 9.1362 9.1362 11.3070 11.3070 11.5987 11.5987 13.7672 13.7672 13.8067 13.8067 15.1294 15.1294 15.2696 15.2696 15.3102 15.3102 k = 0.3696 0.5146 0.3292 ( 4418 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0747 -10.0747 -10.0673 -10.0673 -9.7191 -9.7191 -9.7135 -9.7135 -9.6919 -9.6919 -9.6807 -9.6807 0.6626 0.6626 0.6841 0.6841 5.4997 5.4997 5.7844 5.7844 5.9792 5.9792 6.1404 6.1404 6.2328 6.2328 6.4598 6.4598 6.8665 6.8665 7.4569 7.4569 7.5415 7.5415 7.6664 7.6664 7.9215 7.9215 8.0885 8.0885 8.8378 8.8378 9.0997 9.0997 11.3112 11.3112 11.6056 11.6056 13.7741 13.7741 13.8157 13.8157 15.1385 15.1385 15.2624 15.2624 15.3060 15.3060 k = 0.3623 0.5271 0.3292 ( 4428 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0748 -10.0748 -10.0673 -10.0673 -9.7190 -9.7190 -9.7131 -9.7131 -9.6926 -9.6926 -9.6810 -9.6810 0.6664 0.6664 0.6885 0.6885 5.5039 5.5039 5.8053 5.8053 5.9809 5.9809 6.1356 6.1356 6.2252 6.2252 6.4687 6.4687 6.8500 6.8500 7.4527 7.4527 7.5526 7.5526 7.6524 7.6524 7.9199 7.9199 8.1067 8.1067 8.7929 8.7929 9.0693 9.0693 11.3146 11.3146 11.6113 11.6113 13.7798 13.7798 13.8233 13.8233 15.1381 15.1381 15.2527 15.2527 15.3107 15.3107 k = 0.3551 0.5397 0.3292 ( 4428 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0749 -10.0749 -10.0673 -10.0673 -9.7189 -9.7189 -9.7128 -9.7128 -9.6931 -9.6931 -9.6812 -9.6812 0.6696 0.6696 0.6920 0.6920 5.5073 5.5073 5.8233 5.8233 5.9827 5.9827 6.1317 6.1317 6.2167 6.2167 6.4765 6.4765 6.8362 6.8362 7.4494 7.4494 7.5625 7.5625 7.6401 7.6401 7.9183 7.9183 8.1229 8.1229 8.7558 8.7558 9.0454 9.0454 11.3172 11.3172 11.6157 11.6157 13.7843 13.7843 13.8294 13.8294 15.1335 15.1335 15.2432 15.2432 15.3183 15.3183 k = 0.3478 0.5522 0.3292 ( 4436 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0749 -10.0749 -10.0673 -10.0673 -9.7189 -9.7189 -9.7126 -9.7126 -9.6935 -9.6935 -9.6813 -9.6813 0.6720 0.6720 0.6947 0.6947 5.5099 5.5099 5.8372 5.8372 5.9846 5.9846 6.1292 6.1292 6.2087 6.2087 6.4827 6.4827 6.8256 6.8256 7.4473 7.4473 7.5704 7.5704 7.6301 7.6301 7.9168 7.9168 8.1359 8.1359 8.7279 8.7279 9.0281 9.0281 11.3191 11.3191 11.6189 11.6189 13.7876 13.7876 13.8339 13.8339 15.1283 15.1283 15.2358 15.2358 15.3247 15.3247 k = 0.3406 0.5648 0.3292 ( 4434 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0750 -10.0750 -10.0672 -10.0672 -9.7188 -9.7188 -9.7124 -9.7124 -9.6938 -9.6938 -9.6814 -9.6814 0.6735 0.6735 0.6964 0.6964 5.5115 5.5115 5.8461 5.8461 5.9860 5.9860 6.1280 6.1280 6.2027 6.2027 6.4866 6.4866 6.8190 6.8190 7.4462 7.4462 7.5753 7.5753 7.6236 7.6236 7.9159 7.9159 8.1443 8.1443 8.7105 8.7105 9.0178 9.0178 11.3202 11.3202 11.6208 11.6208 13.7896 13.7896 13.8366 13.8366 15.1246 15.1246 15.2315 15.2315 15.3285 15.3285 k = 0.3333 0.5774 0.3292 ( 4434 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0750 -10.0750 -10.0672 -10.0672 -9.7188 -9.7188 -9.7124 -9.7124 -9.6939 -9.6939 -9.6815 -9.6815 0.6741 0.6741 0.6970 0.6970 5.5120 5.5120 5.8492 5.8492 5.9865 5.9865 6.1278 6.1278 6.2003 6.2003 6.4879 6.4879 6.8168 6.8168 7.4459 7.4459 7.5768 7.5768 7.6214 7.6214 7.9155 7.9155 8.1473 8.1473 8.7046 8.7046 9.0143 9.0143 11.3206 11.3206 11.6214 11.6214 13.7902 13.7902 13.8375 13.8375 15.1232 15.1232 15.2302 15.2302 15.3296 15.3296 k = 0.3333 0.5774 0.3292 ( 4434 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0750 -10.0750 -10.0672 -10.0672 -9.7188 -9.7188 -9.7124 -9.7124 -9.6939 -9.6939 -9.6815 -9.6815 0.6741 0.6741 0.6970 0.6970 5.5120 5.5120 5.8492 5.8492 5.9865 5.9865 6.1278 6.1278 6.2003 6.2003 6.4879 6.4879 6.8168 6.8168 7.4459 7.4459 7.5768 7.5768 7.6214 7.6214 7.9155 7.9155 8.1473 8.1473 8.7046 8.7046 9.0143 9.0143 11.3206 11.3206 11.6214 11.6214 13.7902 13.7902 13.8375 13.8375 15.1232 15.1232 15.2302 15.2302 15.3296 15.3296 k = 0.3261 0.5648 0.3292 ( 4430 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0750 -10.0750 -10.0672 -10.0672 -9.7188 -9.7188 -9.7124 -9.7124 -9.6938 -9.6938 -9.6814 -9.6814 0.6735 0.6735 0.6964 0.6964 5.5114 5.5114 5.8461 5.8461 5.9859 5.9859 6.1277 6.1277 6.2031 6.2031 6.4866 6.4866 6.8190 6.8190 7.4460 7.4460 7.5760 7.5760 7.6231 7.6231 7.9159 7.9159 8.1444 8.1444 8.7105 8.7105 9.0178 9.0178 11.3202 11.3202 11.6208 11.6208 13.7896 13.7896 13.8366 13.8366 15.1246 15.1246 15.2311 15.2311 15.3290 15.3290 k = 0.3188 0.5522 0.3292 ( 4434 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0749 -10.0749 -10.0672 -10.0672 -9.7189 -9.7189 -9.7125 -9.7125 -9.6935 -9.6935 -9.6813 -9.6813 0.6717 0.6717 0.6944 0.6944 5.5098 5.5098 5.8373 5.8373 5.9842 5.9842 6.1270 6.1270 6.2114 6.2114 6.4832 6.4832 6.8255 6.8255 7.4458 7.4458 7.5755 7.5755 7.6270 7.6270 7.9170 7.9170 8.1362 8.1362 8.7277 8.7277 9.0281 9.0281 11.3191 11.3191 11.6189 11.6189 13.7876 13.7876 13.8342 13.8342 15.1289 15.1289 15.2322 15.2322 15.3288 15.3288 k = 0.3116 0.5397 0.3292 ( 4434 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0749 -10.0749 -10.0673 -10.0673 -9.7189 -9.7189 -9.7127 -9.7127 -9.6932 -9.6932 -9.6812 -9.6812 0.6686 0.6686 0.6911 0.6911 5.5070 5.5070 5.8233 5.8233 5.9817 5.9817 6.1256 6.1256 6.2243 6.2243 6.4780 6.4780 6.8359 6.8359 7.4446 7.4446 7.5773 7.5773 7.6320 7.6320 7.9190 7.9190 8.1237 8.1237 8.7551 8.7551 9.0451 9.0451 11.3173 11.3173 11.6157 11.6157 13.7845 13.7845 13.8304 13.8304 15.1356 15.1356 15.2305 15.2305 15.3323 15.3323 k = 0.3043 0.5271 0.3292 ( 4438 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0748 -10.0748 -10.0673 -10.0673 -9.7190 -9.7190 -9.7130 -9.7130 -9.6926 -9.6926 -9.6809 -9.6809 0.6642 0.6642 0.6862 0.6862 5.5032 5.5032 5.8054 5.8054 5.9784 5.9784 6.1239 6.1239 6.2403 6.2403 6.4719 6.4719 6.8497 6.8497 7.4418 7.4418 7.5828 7.5828 7.6377 7.6377 7.9218 7.9218 8.1085 8.1085 8.7914 8.7914 9.0686 9.0686 11.3147 11.3147 11.6112 11.6112 13.7801 13.7801 13.8257 13.8257 15.1436 15.1436 15.2229 15.2229 15.3427 15.3427 k = 0.2971 0.5146 0.3292 ( 4438 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0747 -10.0747 -10.0673 -10.0673 -9.7192 -9.7192 -9.7132 -9.7132 -9.6920 -9.6920 -9.6806 -9.6806 0.6583 0.6583 0.6799 0.6799 5.4984 5.4984 5.7845 5.7845 5.9746 5.9746 6.1221 6.1221 6.2577 6.2577 6.4654 6.4654 6.8663 6.8663 7.4370 7.4370 7.5927 7.5927 7.6440 7.6440 7.9253 7.9253 8.0917 8.0917 8.8353 8.8353 9.0985 9.0985 11.3113 11.3113 11.6055 11.6055 13.7747 13.7747 13.8208 13.8208 15.1510 15.1510 15.2093 15.2093 15.3608 15.3608 k = 0.2899 0.5020 0.3292 ( 4440 PWs) bands (ev): -28.6942 -28.6942 -28.6941 -28.6941 -10.0746 -10.0746 -10.0672 -10.0672 -9.7193 -9.7193 -9.7135 -9.7135 -9.6913 -9.6913 -9.6803 -9.6803 0.6508 0.6508 0.6719 0.6719 5.4928 5.4928 5.7618 5.7618 5.9703 5.9703 6.1205 6.1205 6.2749 6.2749 6.4590 6.4590 6.8852 6.8852 7.4303 7.4303 7.6067 7.6067 7.6515 7.6515 7.9295 7.9295 8.0747 8.0747 8.8857 8.8857 9.1344 9.1344 11.3073 11.3073 11.5985 11.5985 13.7683 13.7683 13.8162 13.8162 15.1539 15.1539 15.1929 15.1929 15.3855 15.3855 k = 0.2826 0.4895 0.3292 ( 4446 PWs) bands (ev): -28.6942 -28.6942 -28.6941 -28.6941 -10.0744 -10.0744 -10.0672 -10.0672 -9.7194 -9.7194 -9.7137 -9.7137 -9.6905 -9.6905 -9.6799 -9.6799 0.6419 0.6419 0.6622 0.6622 5.4865 5.4865 5.7382 5.7382 5.9655 5.9655 6.1190 6.1190 6.2910 6.2910 6.4531 6.4531 6.9061 6.9061 7.4221 7.4221 7.6235 7.6235 7.6615 7.6615 7.9343 7.9343 8.0587 8.0587 8.9416 8.9416 9.1760 9.1760 11.3025 11.3025 11.5902 11.5902 13.7612 13.7612 13.8125 13.8125 15.1438 15.1438 15.1811 15.1811 15.4150 15.4150 k = 0.2754 0.4769 0.3292 ( 4444 PWs) bands (ev): -28.6942 -28.6942 -28.6941 -28.6941 -10.0742 -10.0742 -10.0672 -10.0672 -9.7196 -9.7196 -9.7139 -9.7139 -9.6896 -9.6896 -9.6794 -9.6794 0.6313 0.6313 0.6509 0.6509 5.4798 5.4798 5.7144 5.7144 5.9601 5.9601 6.1178 6.1178 6.3049 6.3049 6.4480 6.4480 6.9286 6.9286 7.4127 7.4127 7.6395 7.6395 7.6774 7.6774 7.9389 7.9389 8.0451 8.0451 9.0025 9.0025 9.2230 9.2230 11.2969 11.2969 11.5807 11.5807 13.7537 13.7537 13.8101 13.8101 15.1193 15.1193 15.1737 15.1737 15.4480 15.4480 k = 0.2681 0.4644 0.3292 ( 4452 PWs) bands (ev): -28.6943 -28.6943 -28.6942 -28.6942 -10.0740 -10.0740 -10.0672 -10.0672 -9.7198 -9.7198 -9.7142 -9.7142 -9.6886 -9.6886 -9.6789 -9.6789 0.6191 0.6191 0.6380 0.6380 5.4728 5.4728 5.6910 5.6910 5.9543 5.9543 6.1167 6.1167 6.3160 6.3160 6.4438 6.4438 6.9523 6.9523 7.4027 7.4027 7.6513 7.6513 7.7023 7.7023 7.9424 7.9424 8.0358 8.0358 9.0676 9.0676 9.2751 9.2751 11.2907 11.2907 11.5699 11.5699 13.7462 13.7462 13.8093 13.8093 15.0877 15.0877 15.1626 15.1626 15.4827 15.4827 k = 0.2609 0.4518 0.3292 ( 4460 PWs) bands (ev): -28.6943 -28.6943 -28.6942 -28.6942 -10.0738 -10.0738 -10.0671 -10.0671 -9.7199 -9.7199 -9.7143 -9.7143 -9.6876 -9.6876 -9.6784 -9.6784 0.6054 0.6054 0.6234 0.6234 5.4657 5.4657 5.6685 5.6685 5.9481 5.9481 6.1156 6.1156 6.3239 6.3239 6.4406 6.4406 6.9768 6.9768 7.3923 7.3923 7.6596 7.6596 7.7351 7.7351 7.9430 7.9430 8.0335 8.0335 9.1367 9.1367 9.3318 9.3318 11.2837 11.2837 11.5579 11.5579 13.7392 13.7392 13.8104 13.8104 15.0519 15.0519 15.1447 15.1447 15.5167 15.5167 k = 0.2536 0.4393 0.3292 ( 4460 PWs) bands (ev): -28.6944 -28.6944 -28.6943 -28.6943 -10.0736 -10.0736 -10.0670 -10.0670 -9.7200 -9.7200 -9.7144 -9.7144 -9.6866 -9.6866 -9.6778 -9.6778 0.5901 0.5901 0.6072 0.6072 5.4588 5.4588 5.6473 5.6473 5.9415 5.9415 6.1145 6.1145 6.3284 6.3284 6.4380 6.4380 7.0016 7.0016 7.3819 7.3819 7.6663 7.6663 7.7735 7.7735 7.9400 7.9400 8.0398 8.0398 9.2093 9.2093 9.3930 9.3930 11.2760 11.2760 11.5447 11.5447 13.7332 13.7332 13.8135 13.8135 15.0126 15.0126 15.1201 15.1201 15.5455 15.5455 k = 0.2464 0.4267 0.3292 ( 4468 PWs) bands (ev): -28.6944 -28.6944 -28.6943 -28.6943 -10.0733 -10.0733 -10.0669 -10.0669 -9.7202 -9.7202 -9.7145 -9.7145 -9.6855 -9.6855 -9.6771 -9.6771 0.5732 0.5732 0.5894 0.5894 5.4521 5.4521 5.6276 5.6276 5.9346 5.9346 6.1133 6.1133 6.3296 6.3296 6.4360 6.4360 7.0261 7.0261 7.3718 7.3718 7.6718 7.6718 7.8155 7.8155 7.9351 7.9351 8.0549 8.0549 9.2851 9.2851 9.4581 9.4581 11.2676 11.2676 11.5304 11.5304 13.7286 13.7286 13.8188 13.8188 14.9703 14.9703 15.0901 15.0901 15.5578 15.5578 k = 0.2391 0.4142 0.3292 ( 4472 PWs) bands (ev): -28.6945 -28.6945 -28.6944 -28.6944 -10.0731 -10.0731 -10.0668 -10.0668 -9.7203 -9.7203 -9.7145 -9.7145 -9.6844 -9.6844 -9.6765 -9.6765 0.5549 0.5549 0.5702 0.5702 5.4460 5.4460 5.6097 5.6097 5.9275 5.9275 6.1119 6.1119 6.3280 6.3280 6.4339 6.4339 7.0499 7.0499 7.3621 7.3621 7.6766 7.6766 7.8558 7.8558 7.9347 7.9347 8.0776 8.0776 9.3638 9.3638 9.5269 9.5269 11.2586 11.2586 11.5151 11.5151 13.7256 13.7256 13.8263 13.8263 14.9251 14.9251 15.0562 15.0562 15.5365 15.5365 k = 0.2319 0.4016 0.3292 ( 4468 PWs) bands (ev): -28.6945 -28.6945 -28.6944 -28.6944 -10.0728 -10.0728 -10.0666 -10.0666 -9.7203 -9.7203 -9.7145 -9.7145 -9.6832 -9.6832 -9.6757 -9.6757 0.5352 0.5352 0.5495 0.5495 5.4405 5.4405 5.5937 5.5937 5.9202 5.9202 6.1102 6.1102 6.3241 6.3241 6.4313 6.4313 7.0724 7.0724 7.3531 7.3531 7.6805 7.6805 7.8780 7.8780 7.9561 7.9561 8.1074 8.1074 9.4452 9.4452 9.5991 9.5991 11.2491 11.2491 11.4987 11.4987 13.7246 13.7246 13.8359 13.8359 14.8771 14.8771 15.0195 15.0195 15.4875 15.4875 k = 0.2246 0.3891 0.3292 ( 4464 PWs) bands (ev): -28.6946 -28.6946 -28.6945 -28.6945 -10.0724 -10.0724 -10.0664 -10.0664 -9.7204 -9.7204 -9.7144 -9.7144 -9.6820 -9.6820 -9.6750 -9.6750 0.5142 0.5142 0.5275 0.5275 5.4357 5.4357 5.5796 5.5796 5.9128 5.9128 6.1081 6.1081 6.3182 6.3182 6.4281 6.4281 7.0931 7.0931 7.3448 7.3448 7.6837 7.6837 7.8773 7.8773 8.0047 8.0047 8.1440 8.1440 9.5289 9.5289 9.6742 9.6742 11.2392 11.2392 11.4815 11.4815 13.7255 13.7255 13.8477 13.8477 14.8268 14.8268 14.9809 14.9809 15.4276 15.4276 k = 0.2174 0.3765 0.3292 ( 4444 PWs) bands (ev): -28.6946 -28.6946 -28.6946 -28.6946 -10.0721 -10.0721 -10.0662 -10.0662 -9.7203 -9.7203 -9.7143 -9.7143 -9.6807 -9.6807 -9.6741 -9.6741 0.4920 0.4920 0.5044 0.5044 5.4318 5.4318 5.5676 5.5676 5.9054 5.9054 6.1055 6.1055 6.3109 6.3109 6.4239 6.4239 7.1115 7.1115 7.3376 7.3376 7.6861 7.6861 7.8686 7.8686 8.0654 8.0654 8.1872 8.1872 9.6148 9.6148 9.7519 9.7519 11.2290 11.2290 11.4635 11.4635 13.7284 13.7284 13.8614 13.8614 14.7745 14.7745 14.9407 14.9407 15.3649 15.3649 k = 0.2101 0.3640 0.3292 ( 4452 PWs) bands (ev): -28.6947 -28.6947 -28.6946 -28.6946 -10.0718 -10.0718 -10.0660 -10.0660 -9.7203 -9.7203 -9.7141 -9.7141 -9.6795 -9.6795 -9.6734 -9.6734 0.4686 0.4686 0.4801 0.4801 5.4288 5.4288 5.5576 5.5576 5.8981 5.8981 6.1023 6.1023 6.3024 6.3024 6.4188 6.4188 7.1275 7.1275 7.3313 7.3313 7.6876 7.6876 7.8576 7.8576 8.1326 8.1326 8.2372 8.2372 9.7025 9.7025 9.8320 9.8320 11.2187 11.2187 11.4448 11.4448 13.7331 13.7331 13.8767 13.8767 14.7207 14.7207 14.8990 14.8990 15.3029 15.3029 k = 0.2029 0.3514 0.3292 ( 4460 PWs) bands (ev): -28.6948 -28.6948 -28.6947 -28.6947 -10.0714 -10.0714 -10.0658 -10.0658 -9.7202 -9.7202 -9.7140 -9.7140 -9.6783 -9.6783 -9.6725 -9.6725 0.4443 0.4443 0.4549 0.4549 5.4268 5.4268 5.5494 5.5494 5.8909 5.8909 6.0983 6.0983 6.2932 6.2932 6.4126 6.4126 7.1408 7.1408 7.3261 7.3261 7.6882 7.6882 7.8457 7.8457 8.2047 8.2047 8.2937 8.2937 9.7916 9.7916 9.9140 9.9140 11.2084 11.2084 11.4257 11.4257 13.7395 13.7395 13.8932 13.8932 14.6661 14.6661 14.8561 14.8561 15.2436 15.2436 k = 0.1957 0.3389 0.3292 ( 4460 PWs) bands (ev): -28.6949 -28.6949 -28.6948 -28.6948 -10.0711 -10.0711 -10.0655 -10.0655 -9.7201 -9.7201 -9.7138 -9.7138 -9.6770 -9.6770 -9.6717 -9.6717 0.4191 0.4191 0.4288 0.4288 5.4259 5.4259 5.5431 5.5431 5.8841 5.8841 6.0936 6.0936 6.2835 6.2835 6.4054 6.4054 7.1516 7.1516 7.3220 7.3220 7.6879 7.6879 7.8333 7.8333 8.2811 8.2811 8.3566 8.3566 9.8819 9.8819 9.9976 9.9976 11.1985 11.1985 11.4064 11.4064 13.7470 13.7470 13.9102 13.9102 14.6117 14.6117 14.8118 14.8118 15.1883 15.1883 k = 0.1884 0.3263 0.3292 ( 4464 PWs) bands (ev): -28.6949 -28.6949 -28.6949 -28.6949 -10.0707 -10.0707 -10.0652 -10.0652 -9.7200 -9.7200 -9.7136 -9.7136 -9.6757 -9.6757 -9.6708 -9.6708 0.3932 0.3932 0.4021 0.4021 5.4260 5.4260 5.5384 5.5384 5.8776 5.8776 6.0879 6.0879 6.2736 6.2736 6.3975 6.3975 7.1600 7.1600 7.3188 7.3188 7.6867 7.6867 7.8205 7.8205 8.3613 8.3613 8.4256 8.4256 9.9729 9.9729 10.0825 10.0825 11.1892 11.1892 11.3871 11.3871 13.7552 13.7552 13.9268 13.9268 14.5583 14.5583 14.7664 14.7664 15.1378 15.1378 k = 0.1812 0.3138 0.3292 ( 4466 PWs) bands (ev): -28.6950 -28.6950 -28.6950 -28.6950 -10.0704 -10.0704 -10.0650 -10.0650 -9.7198 -9.7198 -9.7134 -9.7134 -9.6744 -9.6744 -9.6699 -9.6699 0.3667 0.3667 0.3748 0.3748 5.4271 5.4271 5.5351 5.5351 5.8717 5.8717 6.0813 6.0813 6.2638 6.2638 6.3887 6.3887 7.1662 7.1662 7.3166 7.3166 7.6847 7.6847 7.8075 7.8075 8.4450 8.4450 8.5003 8.5003 10.0642 10.0642 10.1682 10.1682 11.1809 11.1809 11.3682 11.3682 13.7635 13.7635 13.9418 13.9418 14.5074 14.5074 14.7204 14.7204 15.0923 15.0923 k = 0.1739 0.3012 0.3292 ( 4474 PWs) bands (ev): -28.6951 -28.6951 -28.6951 -28.6951 -10.0700 -10.0700 -10.0647 -10.0647 -9.7196 -9.7196 -9.7132 -9.7132 -9.6731 -9.6731 -9.6690 -9.6690 0.3398 0.3398 0.3472 0.3472 5.4292 5.4292 5.5331 5.5331 5.8665 5.8665 6.0737 6.0737 6.2541 6.2541 6.3794 6.3794 7.1707 7.1707 7.3150 7.3150 7.6817 7.6817 7.7942 7.7942 8.5318 8.5318 8.5804 8.5804 10.1551 10.1551 10.2543 10.2543 11.1741 11.1741 11.3500 11.3500 13.7708 13.7708 13.9536 13.9536 14.4604 14.4604 14.6744 14.6744 15.0521 15.0521 k = 0.1667 0.2887 0.3292 ( 4474 PWs) bands (ev): -28.6952 -28.6952 -28.6952 -28.6952 -10.0697 -10.0697 -10.0644 -10.0644 -9.7193 -9.7193 -9.7130 -9.7130 -9.6718 -9.6718 -9.6681 -9.6681 0.3126 0.3126 0.3194 0.3194 5.4323 5.4323 5.5320 5.5320 5.8620 5.8620 6.0653 6.0653 6.2447 6.2447 6.3695 6.3695 7.1737 7.1737 7.3141 7.3141 7.6780 7.6780 7.7806 7.7806 8.6216 8.6216 8.6653 8.6653 10.2449 10.2449 10.3404 10.3404 11.1694 11.1694 11.3330 11.3330 13.7761 13.7761 13.9598 13.9598 14.4195 14.4195 14.6296 14.6296 15.0168 15.0168 k = 0.1594 0.2761 0.3292 ( 4478 PWs) bands (ev): -28.6953 -28.6953 -28.6953 -28.6953 -10.0693 -10.0693 -10.0641 -10.0641 -9.7191 -9.7191 -9.7128 -9.7128 -9.6705 -9.6705 -9.6671 -9.6671 0.2853 0.2853 0.2915 0.2915 5.4362 5.4362 5.5317 5.5317 5.8586 5.8586 6.0561 6.0561 6.2357 6.2357 6.3592 6.3592 7.1756 7.1756 7.3135 7.3135 7.6734 7.6734 7.7669 7.7669 8.7139 8.7139 8.7544 8.7544 10.3329 10.3329 10.4259 10.4259 11.1675 11.1675 11.3179 11.3179 13.7782 13.7782 13.9582 13.9582 14.3867 14.3867 14.5870 14.5870 14.9859 14.9859 k = 0.1522 0.2636 0.3292 ( 4478 PWs) bands (ev): -28.6954 -28.6954 -28.6953 -28.6953 -10.0689 -10.0689 -10.0638 -10.0638 -9.7187 -9.7187 -9.7126 -9.7126 -9.6692 -9.6692 -9.6662 -9.6662 0.2580 0.2580 0.2636 0.2636 5.4410 5.4410 5.5320 5.5320 5.8563 5.8563 6.0463 6.0463 6.2271 6.2271 6.3487 6.3487 7.1768 7.1768 7.3132 7.3132 7.6681 7.6681 7.7529 7.7529 8.8084 8.8084 8.8472 8.8472 10.4180 10.4180 10.5102 10.5102 11.1693 11.1693 11.3054 11.3054 13.7757 13.7757 13.9466 13.9466 14.3638 14.3638 14.5480 14.5480 14.9590 14.9590 k = 0.1449 0.2510 0.3292 ( 4466 PWs) bands (ev): -28.6955 -28.6955 -28.6954 -28.6954 -10.0685 -10.0685 -10.0635 -10.0635 -9.7184 -9.7184 -9.7124 -9.7124 -9.6679 -9.6679 -9.6652 -9.6652 0.2309 0.2309 0.2361 0.2361 5.4463 5.4463 5.5324 5.5324 5.8552 5.8552 6.0361 6.0361 6.2188 6.2188 6.3380 6.3380 7.1776 7.1776 7.3131 7.3131 7.6621 7.6621 7.7387 7.7387 8.9049 8.9049 8.9429 8.9429 10.4988 10.4988 10.5924 10.5924 11.1757 11.1757 11.2968 11.2968 13.7673 13.7673 13.9243 13.9243 14.3511 14.3511 14.5137 14.5137 14.9353 14.9353 k = 0.1377 0.2385 0.3292 ( 4470 PWs) bands (ev): -28.6956 -28.6956 -28.6955 -28.6955 -10.0681 -10.0681 -10.0632 -10.0632 -9.7180 -9.7180 -9.7122 -9.7122 -9.6666 -9.6666 -9.6642 -9.6642 0.2042 0.2042 0.2088 0.2088 5.4522 5.4522 5.5329 5.5329 5.8556 5.8556 6.0258 6.0258 6.2108 6.2108 6.3271 6.3271 7.1781 7.1781 7.3130 7.3130 7.6556 7.6556 7.7244 7.7244 9.0029 9.0029 9.0408 9.0408 10.5739 10.5739 10.6714 10.6714 11.1881 11.1881 11.2933 11.2933 13.7515 13.7515 13.8922 13.8922 14.3472 14.3472 14.4853 14.4853 14.9141 14.9141 k = 0.1304 0.2259 0.3292 ( 4480 PWs) bands (ev): -28.6956 -28.6956 -28.6956 -28.6956 -10.0678 -10.0678 -10.0630 -10.0630 -9.7177 -9.7177 -9.7120 -9.7120 -9.6653 -9.6653 -9.6633 -9.6633 0.1778 0.1778 0.1821 0.1821 5.4585 5.4585 5.5333 5.5333 5.8575 5.8575 6.0156 6.0156 6.2029 6.2029 6.3162 6.3162 7.1786 7.1786 7.3129 7.3129 7.6484 7.6484 7.7100 7.7100 9.1019 9.1019 9.1403 9.1403 10.6421 10.6421 10.7456 10.7456 11.2075 11.2075 11.2971 11.2971 13.7276 13.7276 13.8521 13.8521 14.3499 14.3499 14.4634 14.4634 14.8946 14.8946 k = 0.1232 0.2134 0.3292 ( 4476 PWs) bands (ev): -28.6957 -28.6957 -28.6957 -28.6957 -10.0674 -10.0674 -10.0627 -10.0627 -9.7173 -9.7173 -9.7118 -9.7118 -9.6641 -9.6641 -9.6623 -9.6623 0.1521 0.1521 0.1561 0.1561 5.4650 5.4650 5.5334 5.5334 5.8609 5.8609 6.0058 6.0058 6.1952 6.1952 6.3052 6.3052 7.1792 7.1792 7.3127 7.3127 7.6408 7.6408 7.6955 7.6955 9.2013 9.2013 9.2406 9.2406 10.7026 10.7026 10.8130 10.8130 11.2349 11.2349 11.3104 11.3104 13.6952 13.6952 13.8058 13.8058 14.3565 14.3565 14.4482 14.4482 14.8759 14.8759 k = 0.1159 0.2008 0.3292 ( 4478 PWs) bands (ev): -28.6958 -28.6958 -28.6958 -28.6958 -10.0670 -10.0670 -10.0625 -10.0625 -9.7170 -9.7170 -9.7116 -9.7116 -9.6628 -9.6628 -9.6613 -9.6613 0.1272 0.1272 0.1308 0.1308 5.4715 5.4715 5.5330 5.5330 5.8659 5.8659 5.9967 5.9967 6.1874 6.1874 6.2943 6.2943 7.1802 7.1802 7.3124 7.3124 7.6328 7.6328 7.6810 7.6810 9.3003 9.3003 9.3407 9.3407 10.7552 10.7552 10.8715 10.8715 11.2707 11.2707 11.3353 11.3353 13.6546 13.6546 13.7544 13.7544 14.3650 14.3650 14.4395 14.4395 14.8573 14.8573 k = 0.1087 0.1883 0.3292 ( 4482 PWs) bands (ev): -28.6959 -28.6959 -28.6959 -28.6959 -10.0666 -10.0666 -10.0623 -10.0623 -9.7166 -9.7166 -9.7115 -9.7115 -9.6616 -9.6616 -9.6603 -9.6603 0.1031 0.1031 0.1064 0.1064 5.4778 5.4778 5.5323 5.5323 5.8724 5.8724 5.9885 5.9885 6.1796 6.1796 6.2834 6.2834 7.1815 7.1815 7.3120 7.3120 7.6245 7.6245 7.6666 7.6666 9.3981 9.3981 9.4398 9.4398 10.8011 10.8011 10.9200 10.9200 11.3153 11.3153 11.3721 11.3721 13.6065 13.6065 13.6983 13.6983 14.3741 14.3741 14.4368 14.4368 14.8380 14.8380 k = 0.1014 0.1757 0.3292 ( 4470 PWs) bands (ev): -28.6960 -28.6960 -28.6960 -28.6960 -10.0662 -10.0662 -10.0621 -10.0621 -9.7162 -9.7162 -9.7114 -9.7114 -9.6604 -9.6604 -9.6594 -9.6594 0.0800 0.0800 0.0831 0.0831 5.4839 5.4839 5.5311 5.5311 5.8804 5.8804 5.9815 5.9815 6.1717 6.1717 6.2725 6.2725 7.1832 7.1832 7.3114 7.3114 7.6161 7.6161 7.6523 7.6523 9.4937 9.4937 9.5367 9.5367 10.8422 10.8422 10.9593 10.9593 11.3682 11.3682 11.4194 11.4194 13.5519 13.5519 13.6378 13.6378 14.3832 14.3832 14.4392 14.4392 14.8176 14.8176 k = 0.0942 0.1632 0.3292 ( 4466 PWs) bands (ev): -28.6960 -28.6960 -28.6960 -28.6960 -10.0659 -10.0659 -10.0619 -10.0619 -9.7158 -9.7158 -9.7113 -9.7113 -9.6593 -9.6593 -9.6584 -9.6584 0.0580 0.0580 0.0608 0.0608 5.4895 5.4895 5.5295 5.5295 5.8895 5.8895 5.9759 5.9759 6.1636 6.1636 6.2616 6.2616 7.1855 7.1855 7.3106 7.3106 7.6074 7.6074 7.6383 7.6383 9.5859 9.5859 9.6303 9.6303 10.8811 10.8811 10.9920 10.9920 11.4281 11.4281 11.4743 11.4743 13.4914 13.4914 13.5724 13.5724 14.3922 14.3922 14.4456 14.4456 14.7955 14.7955 k = 0.0870 0.1506 0.3292 ( 4462 PWs) bands (ev): -28.6961 -28.6961 -28.6961 -28.6961 -10.0655 -10.0655 -10.0618 -10.0618 -9.7154 -9.7154 -9.7112 -9.7112 -9.6582 -9.6582 -9.6575 -9.6575 0.0373 0.0373 0.0398 0.0398 5.4945 5.4945 5.5275 5.5275 5.8997 5.8997 5.9719 5.9719 6.1553 6.1553 6.2507 6.2507 7.1884 7.1884 7.3095 7.3095 7.5988 7.5988 7.6247 7.6247 9.6737 9.6737 9.7192 9.7192 10.9201 10.9201 11.0218 11.0218 11.4927 11.4927 11.5341 11.5341 13.4258 13.4258 13.5022 13.5022 14.4016 14.4016 14.4548 14.4548 14.7720 14.7720 k = 0.0797 0.1381 0.3292 ( 4458 PWs) bands (ev): -28.6962 -28.6962 -28.6962 -28.6962 -10.0651 -10.0651 -10.0616 -10.0616 -9.7151 -9.7151 -9.7111 -9.7111 -9.6572 -9.6572 -9.6567 -9.6567 0.0178 0.0178 0.0201 0.0201 5.4988 5.4988 5.5254 5.5254 5.9107 5.9107 5.9697 5.9697 6.1469 6.1469 6.2397 6.2397 7.1918 7.1918 7.3081 7.3081 7.5903 7.5903 7.6115 7.6115 9.7556 9.7556 9.8020 9.8020 10.9615 10.9615 11.0521 11.0521 11.5600 11.5600 11.5967 11.5967 13.3552 13.3552 13.4268 13.4268 14.4119 14.4119 14.4659 14.4659 14.7472 14.7472 k = 0.0725 0.1255 0.3292 ( 4458 PWs) bands (ev): -28.6962 -28.6962 -28.6962 -28.6962 -10.0648 -10.0648 -10.0616 -10.0616 -9.7147 -9.7147 -9.7111 -9.7111 -9.6563 -9.6563 -9.6559 -9.6559 -0.0003 -0.0003 0.0018 0.0018 5.5024 5.5024 5.5231 5.5231 5.9222 5.9222 5.9695 5.9695 6.1383 6.1383 6.2286 6.2286 7.1959 7.1959 7.3064 7.3064 7.5819 7.5819 7.5989 7.5989 9.8307 9.8307 9.8773 9.8773 11.0067 11.0067 11.0854 11.0854 11.6282 11.6282 11.6605 11.6605 13.2800 13.2800 13.3464 13.3464 14.4234 14.4234 14.4781 14.4781 14.7217 14.7217 k = 0.0652 0.1130 0.3292 ( 4462 PWs) bands (ev): -28.6963 -28.6963 -28.6963 -28.6963 -10.0645 -10.0645 -10.0615 -10.0615 -9.7144 -9.7144 -9.7111 -9.7111 -9.6554 -9.6554 -9.6551 -9.6551 -0.0169 -0.0169 -0.0150 -0.0150 5.5052 5.5052 5.5207 5.5207 5.9336 5.9336 5.9714 5.9714 6.1297 6.1297 6.2173 6.2173 7.2006 7.2006 7.3044 7.3044 7.5738 7.5738 7.5870 7.5870 9.8979 9.8979 9.9441 9.9441 11.0566 11.0566 11.1232 11.1232 11.6963 11.6963 11.7246 11.7246 13.2004 13.2004 13.2609 13.2609 14.4361 14.4361 14.4911 14.4911 14.6964 14.6964 k = 0.0580 0.1004 0.3292 ( 4462 PWs) bands (ev): -28.6964 -28.6964 -28.6964 -28.6964 -10.0641 -10.0641 -10.0615 -10.0615 -9.7140 -9.7140 -9.7111 -9.7111 -9.6546 -9.6546 -9.6544 -9.6544 -0.0319 -0.0319 -0.0302 -0.0302 5.5073 5.5073 5.5185 5.5185 5.9444 5.9444 5.9758 5.9758 6.1211 6.1211 6.2058 6.2058 7.2059 7.2059 7.3018 7.3018 7.5661 7.5661 7.5759 7.5759 9.9567 9.9567 10.0016 10.0016 11.1111 11.1111 11.1664 11.1664 11.7639 11.7639 11.7885 11.7885 13.1165 13.1165 13.1708 13.1708 14.4500 14.4500 14.5045 14.5045 14.6720 14.6720 k = 0.0507 0.0879 0.3292 ( 4462 PWs) bands (ev): -28.6964 -28.6964 -28.6964 -28.6964 -10.0638 -10.0638 -10.0615 -10.0615 -9.7137 -9.7137 -9.7111 -9.7111 -9.6539 -9.6539 -9.6538 -9.6538 -0.0454 -0.0454 -0.0438 -0.0438 5.5087 5.5087 5.5163 5.5163 5.9542 5.9542 5.9826 5.9826 6.1127 6.1127 6.1941 6.1941 7.2118 7.2118 7.2988 7.2988 7.5588 7.5588 7.5658 7.5658 10.0069 10.0069 10.0494 10.0494 11.1692 11.1692 11.2143 11.2143 11.8308 11.8308 11.8522 11.8522 13.0287 13.0287 13.0764 13.0764 14.4648 14.4648 14.5177 14.5177 14.6496 14.6496 k = 0.0435 0.0753 0.3292 ( 4464 PWs) bands (ev): -28.6965 -28.6965 -28.6964 -28.6964 -10.0635 -10.0635 -10.0615 -10.0615 -9.7134 -9.7134 -9.7111 -9.7111 -9.6533 -9.6533 -9.6532 -9.6532 -0.0571 -0.0571 -0.0558 -0.0558 5.5096 5.5096 5.5144 5.5144 5.9630 5.9630 5.9914 5.9914 6.1049 6.1049 6.1822 6.1822 7.2181 7.2181 7.2952 7.2952 7.5522 7.5522 7.5569 7.5569 10.0489 10.0489 10.0878 10.0878 11.2291 11.2291 11.2655 11.2655 11.8976 11.8976 11.9161 11.9161 12.9375 12.9375 12.9785 12.9785 14.4802 14.4802 14.5299 14.5299 14.6302 14.6302 k = 0.0362 0.0628 0.3292 ( 4464 PWs) bands (ev): -28.6965 -28.6965 -28.6965 -28.6965 -10.0632 -10.0632 -10.0615 -10.0615 -9.7131 -9.7131 -9.7112 -9.7112 -9.6528 -9.6528 -9.6527 -9.6527 -0.0671 -0.0671 -0.0660 -0.0660 5.5099 5.5099 5.5128 5.5128 5.9711 5.9711 6.0008 6.0008 6.0981 6.0981 6.1700 6.1700 7.2249 7.2249 7.2910 7.2910 7.5463 7.5463 7.5491 7.5491 10.0832 10.0832 10.1175 10.1175 11.2881 11.2881 11.3172 11.3172 11.9652 11.9652 11.9812 11.9812 12.8437 12.8437 12.8778 12.8778 14.4952 14.4952 14.5399 14.5399 14.6149 14.6149 k = 0.0290 0.0502 0.3292 ( 4460 PWs) bands (ev): -28.6965 -28.6965 -28.6965 -28.6965 -10.0630 -10.0630 -10.0616 -10.0616 -9.7128 -9.7128 -9.7113 -9.7113 -9.6523 -9.6523 -9.6523 -9.6523 -0.0753 -0.0753 -0.0744 -0.0744 5.5100 5.5100 5.5115 5.5115 5.9791 5.9791 6.0092 6.0092 6.0932 6.0932 6.1577 6.1577 7.2319 7.2319 7.2862 7.2862 7.5413 7.5413 7.5428 7.5428 10.1106 10.1106 10.1392 10.1392 11.3431 11.3431 11.3662 11.3662 12.0351 12.0351 12.0485 12.0485 12.7482 12.7482 12.7756 12.7756 14.5089 14.5089 14.5462 14.5462 14.6050 14.6050 k = 0.0217 0.0377 0.3292 ( 4456 PWs) bands (ev): -28.6965 -28.6965 -28.6965 -28.6965 -10.0627 -10.0627 -10.0617 -10.0617 -9.7126 -9.7126 -9.7114 -9.7114 -9.6520 -9.6520 -9.6520 -9.6520 -0.0817 -0.0817 -0.0810 -0.0810 5.5098 5.5098 5.5105 5.5105 5.9872 5.9872 6.0150 6.0150 6.0915 6.0915 6.1452 6.1452 7.2393 7.2393 7.2807 7.2807 7.5371 7.5371 7.5378 7.5378 10.1319 10.1319 10.1541 10.1541 11.3909 11.3909 11.4085 11.4085 12.1086 12.1086 12.1190 12.1190 12.6525 12.6525 12.6733 12.6733 14.5202 14.5202 14.5477 14.5477 14.6009 14.6013 k = 0.0145 0.0251 0.3292 ( 4460 PWs) bands (ev): -28.6966 -28.6966 -28.6966 -28.6966 -10.0625 -10.0625 -10.0618 -10.0618 -9.7123 -9.7123 -9.7116 -9.7116 -9.6517 -9.6517 -9.6517 -9.6517 -0.0862 -0.0862 -0.0858 -0.0858 5.5096 5.5096 5.5098 5.5098 5.9952 5.9952 6.0168 6.0168 6.0939 6.0939 6.1329 6.1329 7.2467 7.2467 7.2747 7.2747 7.5340 7.5340 7.5342 7.5342 10.1478 10.1478 10.1628 10.1628 11.4285 11.4285 11.4406 11.4406 12.1864 12.1864 12.1933 12.1933 12.5582 12.5582 12.5726 12.5726 14.5282 14.5282 14.5454 14.5454 14.6006 14.6006 k = 0.0072 0.0126 0.3292 ( 4464 PWs) bands (ev): -28.6966 -28.6966 -28.6966 -28.6966 -10.0623 -10.0623 -10.0619 -10.0619 -9.7121 -9.7121 -9.7117 -9.7117 -9.6516 -9.6516 -9.6516 -9.6516 -0.0889 -0.0889 -0.0887 -0.0887 5.5094 5.5094 5.5094 5.5094 6.0028 6.0028 6.0146 6.0146 6.1004 6.1004 6.1209 6.1209 7.2541 7.2541 7.2682 7.2682 7.5321 7.5321 7.5321 7.5321 10.1586 10.1586 10.1662 10.1662 11.4535 11.4535 11.4596 11.4596 12.2667 12.2667 12.2694 12.2694 12.4694 12.4694 12.4775 12.4775 14.5334 14.5334 14.5415 14.5415 14.6013 14.6014 k = 0.0000 0.0000 0.3292 ( 4480 PWs) bands (ev): -28.6966 -28.6966 -28.6966 -28.6966 -10.0621 -10.0621 -10.0621 -10.0621 -9.7119 -9.7119 -9.7119 -9.7119 -9.6516 -9.6516 -9.6516 -9.6516 -0.0898 -0.0898 -0.0898 -0.0898 5.5093 5.5093 5.5093 5.5093 6.0096 6.0096 6.0096 6.0096 6.1098 6.1098 6.1098 6.1098 7.2613 7.2613 7.2613 7.2613 7.5315 7.5315 7.5315 7.5315 10.1647 10.1647 10.1647 10.1647 11.4641 11.4641 11.4641 11.4641 12.3216 12.3216 12.3216 12.3216 12.4152 12.4152 12.4152 12.4152 14.5375 14.5375 14.5375 14.5375 14.6014 14.6014 k = 0.5000 0.2887 0.3292 ( 4444 PWs) bands (ev): -28.6943 -28.6943 -28.6943 -28.6943 -10.0706 -10.0706 -10.0706 -10.0706 -9.7209 -9.7209 -9.7209 -9.7209 -9.6776 -9.6776 -9.6776 -9.6776 0.5981 0.5981 0.5981 0.5981 5.4575 5.4575 5.4575 5.4575 6.0587 6.0587 6.0587 6.0587 6.3149 6.3149 6.3149 6.3149 7.2278 7.2278 7.2278 7.2278 7.6853 7.6853 7.6853 7.6853 7.9568 7.9568 7.9568 7.9568 9.8819 9.8819 9.8819 9.8819 11.2962 11.2962 11.2962 11.2962 13.5540 13.5540 13.5540 13.5540 14.3847 14.3847 14.3847 14.3847 15.5806 15.5806 k = 0.5000 0.2887 0.3149 ( 4444 PWs) bands (ev): -28.6952 -28.6952 -28.6935 -28.6935 -10.0733 -10.0733 -10.0681 -10.0681 -9.7253 -9.7253 -9.7166 -9.7166 -9.6784 -9.6784 -9.6766 -9.6766 0.5948 0.5948 0.6011 0.6011 5.4416 5.4416 5.4747 5.4747 6.0557 6.0557 6.0624 6.0624 6.3077 6.3077 6.3230 6.3230 7.2274 7.2274 7.2287 7.2287 7.6768 7.6768 7.6938 7.6938 7.9492 7.9492 7.9645 7.9645 9.8739 9.8739 9.8893 9.8893 11.2218 11.2218 11.3623 11.3623 13.4856 13.4856 13.6185 13.6185 14.2972 14.2972 14.4845 14.4845 15.5547 15.5547 k = 0.5000 0.2887 0.3006 ( 4444 PWs) bands (ev): -28.6960 -28.6960 -28.6927 -28.6927 -10.0762 -10.0762 -10.0657 -10.0657 -9.7297 -9.7297 -9.7125 -9.7125 -9.6788 -9.6788 -9.6753 -9.6753 0.5913 0.5913 0.6038 0.6038 5.4270 5.4270 5.4930 5.4930 6.0534 6.0534 6.0667 6.0667 6.3012 6.3012 6.3320 6.3320 7.2274 7.2274 7.2299 7.2299 7.6684 7.6684 7.7024 7.7024 7.9417 7.9417 7.9722 7.9722 9.8653 9.8653 9.8960 9.8960 11.1405 11.1405 11.4185 11.4185 13.4160 13.4160 13.6748 13.6748 14.2290 14.2290 14.5911 14.5911 15.5286 15.5287 k = 0.5000 0.2887 0.2863 ( 4446 PWs) bands (ev): -28.6968 -28.6968 -28.6918 -28.6918 -10.0793 -10.0793 -10.0635 -10.0635 -9.7340 -9.7340 -9.7090 -9.7090 -9.6785 -9.6785 -9.6739 -9.6739 0.5874 0.5874 0.6062 0.6062 5.4138 5.4138 5.5124 5.5124 6.0517 6.0517 6.0717 6.0717 6.2954 6.2954 6.3420 6.3420 7.2279 7.2279 7.2315 7.2315 7.6602 7.6602 7.7108 7.7108 7.9344 7.9344 7.9800 7.9800 9.8562 9.8562 9.9020 9.9020 11.0535 11.0535 11.4633 11.4633 13.3465 13.3465 13.7164 13.7164 14.1888 14.1888 14.6986 14.6986 15.5059 15.5059 k = 0.5000 0.2887 0.2720 ( 4442 PWs) bands (ev): -28.6976 -28.6976 -28.6910 -28.6910 -10.0824 -10.0824 -10.0614 -10.0614 -9.7381 -9.7381 -9.7061 -9.7061 -9.6774 -9.6774 -9.6724 -9.6724 0.5834 0.5834 0.6082 0.6082 5.4020 5.4020 5.5325 5.5325 6.0507 6.0507 6.0773 6.0773 6.2902 6.2902 6.3529 6.3529 7.2289 7.2289 7.2334 7.2334 7.6522 7.6522 7.7191 7.7191 7.9273 7.9273 7.9878 7.9878 9.8464 9.8464 9.9073 9.9073 10.9623 10.9623 11.4956 11.4956 13.2783 13.2783 13.7375 13.7375 14.1835 14.1835 14.8005 14.8005 15.4906 15.4906 k = 0.5000 0.2887 0.2577 ( 4456 PWs) bands (ev): -28.6984 -28.6984 -28.6902 -28.6902 -10.0858 -10.0858 -10.0596 -10.0596 -9.7421 -9.7421 -9.7042 -9.7042 -9.6753 -9.6753 -9.6709 -9.6709 0.5791 0.5791 0.6099 0.6099 5.3915 5.3915 5.5533 5.5533 6.0503 6.0503 6.0836 6.0836 6.2857 6.2857 6.3650 6.3650 7.2303 7.2303 7.2357 7.2357 7.6444 7.6444 7.7271 7.7271 7.9207 7.9207 7.9956 7.9956 9.8361 9.8361 9.9119 9.9119 10.8681 10.8681 11.5144 11.5144 13.2121 13.2121 13.7402 13.7402 14.2122 14.2122 14.8882 14.8882 15.4863 15.4863 k = 0.5000 0.2887 0.2434 ( 4462 PWs) bands (ev): -28.6992 -28.6992 -28.6895 -28.6895 -10.0892 -10.0892 -10.0580 -10.0580 -9.7458 -9.7458 -9.7032 -9.7032 -9.6725 -9.6725 -9.6691 -9.6691 0.5747 0.5747 0.6113 0.6113 5.3824 5.3824 5.5744 5.5744 6.0504 6.0504 6.0906 6.0906 6.2816 6.2816 6.3781 6.3781 7.2321 7.2321 7.2385 7.2385 7.6369 7.6369 7.7345 7.7345 7.9146 7.9146 8.0034 8.0034 9.8252 9.8252 9.9157 9.9157 10.7720 10.7720 11.5193 11.5193 13.1486 13.1486 13.7338 13.7338 14.2654 14.2654 14.9530 14.9530 15.4895 15.4895 k = 0.5000 0.2887 0.2290 ( 4464 PWs) bands (ev): -28.7000 -28.7000 -28.6887 -28.6887 -10.0926 -10.0926 -10.0565 -10.0565 -9.7493 -9.7493 -9.7029 -9.7029 -9.6695 -9.6695 -9.6668 -9.6668 0.5702 0.5702 0.6124 0.6124 5.3745 5.3745 5.5955 5.5955 6.0512 6.0512 6.0981 6.0981 6.2781 6.2781 6.3925 6.3925 7.2343 7.2343 7.2417 7.2417 7.6296 7.6296 7.7412 7.7412 7.9094 7.9094 8.0112 8.0112 9.8137 9.8137 9.9188 9.9188 10.6751 10.6751 11.5105 11.5105 13.0882 13.0882 13.7277 13.7277 14.3331 14.3331 14.9903 14.9903 15.4882 15.4882 k = 0.5000 0.2887 0.2147 ( 4464 PWs) bands (ev): -28.7007 -28.7007 -28.6880 -28.6880 -10.0960 -10.0960 -10.0551 -10.0551 -9.7525 -9.7525 -9.7031 -9.7031 -9.6674 -9.6674 -9.6631 -9.6631 0.5657 0.5657 0.6133 0.6133 5.3678 5.3678 5.6164 5.6164 6.0525 6.0525 6.1063 6.1063 6.2751 6.2751 6.4080 6.4080 7.2366 7.2366 7.2454 7.2454 7.6227 7.6227 7.7468 7.7468 7.9053 7.9053 8.0189 8.0189 9.8014 9.8014 9.9210 9.9210 10.5785 10.5785 11.4889 11.4889 13.0315 13.0315 13.7272 13.7272 14.4083 14.4083 15.0037 15.0037 15.4802 15.4802 k = 0.5000 0.2887 0.2004 ( 4468 PWs) bands (ev): -28.7014 -28.7014 -28.6873 -28.6873 -10.0995 -10.0995 -10.0539 -10.0539 -9.7555 -9.7555 -9.7036 -9.7036 -9.6658 -9.6658 -9.6587 -9.6587 0.5612 0.5612 0.6138 0.6138 5.3621 5.3621 5.6368 5.6368 6.0543 6.0543 6.1150 6.1150 6.2725 6.2725 6.4247 6.4247 7.2390 7.2390 7.2499 7.2499 7.6162 7.6162 7.7509 7.7509 7.9027 7.9027 8.0266 8.0266 9.7883 9.7883 9.9224 9.9224 10.4834 10.4834 11.4561 11.4561 12.9786 12.9786 13.7342 13.7342 14.4868 14.4868 15.0012 15.0012 15.4695 15.4695 k = 0.5000 0.2887 0.1861 ( 4464 PWs) bands (ev): -28.7021 -28.7021 -28.6866 -28.6866 -10.1028 -10.1028 -10.0529 -10.0529 -9.7582 -9.7582 -9.7044 -9.7044 -9.6643 -9.6643 -9.6541 -9.6541 0.5567 0.5567 0.6142 0.6142 5.3573 5.3573 5.6564 5.6564 6.0565 6.0565 6.1243 6.1243 6.2703 6.2703 6.4425 6.4425 7.2414 7.2414 7.2551 7.2551 7.6100 7.6100 7.7532 7.7532 7.9020 7.9020 8.0342 8.0342 9.7740 9.7740 9.9229 9.9229 10.3909 10.3909 11.4141 11.4141 12.9297 12.9297 13.7488 13.7488 14.5655 14.5655 14.9903 14.9903 15.4584 15.4584 k = 0.5000 0.2887 0.1718 ( 4468 PWs) bands (ev): -28.7027 -28.7027 -28.6860 -28.6860 -10.1061 -10.1061 -10.0520 -10.0520 -9.7607 -9.7607 -9.7052 -9.7052 -9.6630 -9.6630 -9.6494 -9.6494 0.5524 0.5524 0.6143 0.6143 5.3534 5.3534 5.6749 5.6749 6.0590 6.0590 6.1338 6.1338 6.2684 6.2684 6.4612 6.4612 7.2438 7.2438 7.2610 7.2610 7.6042 7.6042 7.7533 7.7533 7.9036 7.9036 8.0416 8.0416 9.7581 9.7581 9.9226 9.9226 10.3025 10.3025 11.3651 11.3651 12.8848 12.8848 13.7702 13.7702 14.6416 14.6416 14.9769 14.9769 15.4477 15.4477 k = 0.5000 0.2887 0.1575 ( 4460 PWs) bands (ev): -28.7033 -28.7033 -28.6854 -28.6854 -10.1092 -10.1092 -10.0513 -10.0513 -9.7629 -9.7629 -9.7061 -9.7061 -9.6617 -9.6617 -9.6449 -9.6449 0.5482 0.5482 0.6142 0.6142 5.3502 5.3502 5.6921 5.6921 6.0617 6.0617 6.1436 6.1436 6.2669 6.2669 6.4809 6.4809 7.2461 7.2461 7.2675 7.2675 7.5988 7.5988 7.7512 7.7512 7.9075 7.9075 8.0488 8.0488 9.7402 9.7402 9.9213 9.9213 10.2195 10.2195 11.3115 11.3115 12.8439 12.8439 13.7969 13.7969 14.7111 14.7111 14.9666 14.9666 15.4376 15.4376 k = 0.5000 0.2887 0.1431 ( 4452 PWs) bands (ev): -28.7038 -28.7038 -28.6848 -28.6848 -10.1123 -10.1123 -10.0506 -10.0506 -9.7649 -9.7649 -9.7069 -9.7069 -9.6605 -9.6605 -9.6405 -9.6405 0.5442 0.5442 0.6141 0.6141 5.3476 5.3476 5.7078 5.7078 6.0645 6.0645 6.1535 6.1535 6.2657 6.2657 6.5011 6.5011 7.2482 7.2482 7.2746 7.2746 7.5938 7.5938 7.7470 7.7470 7.9137 7.9137 8.0557 8.0557 9.7195 9.7195 9.9191 9.9191 10.1437 10.1437 11.2556 11.2556 12.8069 12.8069 13.8273 13.8273 14.7671 14.7671 14.9667 14.9667 15.4285 15.4285 k = 0.5000 0.2887 0.1288 ( 4462 PWs) bands (ev): -28.7043 -28.7043 -28.6843 -28.6843 -10.1152 -10.1152 -10.0500 -10.0500 -9.7667 -9.7667 -9.7077 -9.7077 -9.6595 -9.6595 -9.6364 -9.6364 0.5404 0.5404 0.6137 0.6137 5.3456 5.3456 5.7220 5.7220 6.0674 6.0674 6.1632 6.1632 6.2648 6.2648 6.5216 6.5216 7.2502 7.2502 7.2821 7.2821 7.5893 7.5893 7.7410 7.7410 7.9217 7.9217 8.0623 8.0623 9.6953 9.6953 9.9158 9.9158 10.0769 10.0769 11.1993 11.1993 12.7736 12.7736 13.8599 13.8599 14.8006 14.8006 14.9867 14.9867 15.4205 15.4205 k = 0.5000 0.2887 0.1145 ( 4458 PWs) bands (ev): -28.7048 -28.7048 -28.6839 -28.6839 -10.1178 -10.1178 -10.0495 -10.0495 -9.7682 -9.7682 -9.7085 -9.7085 -9.6585 -9.6585 -9.6325 -9.6325 0.5369 0.5369 0.6133 0.6133 5.3440 5.3440 5.7346 5.7346 6.0703 6.0703 6.1726 6.1726 6.2642 6.2642 6.5421 6.5421 7.2521 7.2521 7.2900 7.2900 7.5851 7.5851 7.7336 7.7336 7.9312 7.9312 8.0685 8.0685 9.6669 9.6669 9.9113 9.9113 10.0209 10.0209 11.1446 11.1446 12.7441 12.7441 13.8932 13.8932 14.8105 14.8105 15.0270 15.0270 15.4136 15.4136 k = 0.5000 0.2887 0.1002 ( 4466 PWs) bands (ev): -28.7052 -28.7052 -28.6835 -28.6835 -10.1202 -10.1202 -10.0491 -10.0491 -9.7696 -9.7696 -9.7092 -9.7092 -9.6577 -9.6577 -9.6291 -9.6291 0.5336 0.5336 0.6129 0.6129 5.3427 5.3427 5.7456 5.7456 6.0730 6.0730 6.1813 6.1813 6.2639 6.2639 6.5619 6.5619 7.2538 7.2538 7.2979 7.2979 7.5814 7.5814 7.7254 7.7254 7.9416 7.9416 8.0741 8.0741 9.6345 9.6345 9.9048 9.9048 9.9773 9.9773 11.0929 11.0929 12.7181 12.7181 13.9258 13.9258 14.8073 14.8073 15.0769 15.0769 15.4082 15.4082 k = 0.5000 0.2887 0.0859 ( 4462 PWs) bands (ev): -28.7055 -28.7055 -28.6831 -28.6831 -10.1224 -10.1224 -10.0488 -10.0488 -9.7707 -9.7707 -9.7098 -9.7098 -9.6569 -9.6569 -9.6260 -9.6260 0.5308 0.5308 0.6125 0.6125 5.3418 5.3418 5.7549 5.7549 6.0755 6.0755 6.1893 6.1893 6.2638 6.2638 6.5807 6.5807 7.2553 7.2553 7.3057 7.3057 7.5781 7.5781 7.7167 7.7167 7.9525 7.9525 8.0791 8.0791 9.5995 9.5995 9.8954 9.8954 9.9469 9.9469 11.0458 11.0458 12.6957 12.6957 13.9566 13.9566 14.7993 14.7993 15.1272 15.1272 15.4043 15.4043 k = 0.5000 0.2887 0.0716 ( 4464 PWs) bands (ev): -28.7058 -28.7058 -28.6828 -28.6828 -10.1242 -10.1242 -10.0485 -10.0485 -9.7716 -9.7716 -9.7104 -9.7104 -9.6562 -9.6562 -9.6234 -9.6234 0.5283 0.5283 0.6121 0.6121 5.3411 5.3411 5.7627 5.7627 6.0777 6.0777 6.1962 6.1962 6.2640 6.2640 6.5979 6.5979 7.2566 7.2566 7.3131 7.3131 7.5753 7.5753 7.7081 7.7081 7.9631 7.9631 8.0835 8.0835 9.5642 9.5642 9.8829 9.8829 9.9287 9.9287 11.0043 11.0043 12.6769 12.6769 13.9843 13.9843 14.7903 14.7903 15.1733 15.1733 15.4022 15.4022 k = 0.5000 0.2887 0.0573 ( 4458 PWs) bands (ev): -28.7061 -28.7061 -28.6825 -28.6825 -10.1258 -10.1258 -10.0483 -10.0483 -9.7724 -9.7724 -9.7109 -9.7109 -9.6557 -9.6557 -9.6212 -9.6212 0.5262 0.5262 0.6117 0.6117 5.3406 5.3406 5.7690 5.7690 6.0795 6.0795 6.2020 6.2020 6.2643 6.2643 6.6129 6.6129 7.2577 7.2577 7.3199 7.3199 7.5730 7.5730 7.7002 7.7002 7.9730 7.9730 8.0870 8.0870 9.5312 9.5312 9.8701 9.8701 9.9184 9.9184 10.9692 10.9692 12.6615 12.6615 14.0083 14.0083 14.7820 14.7820 15.2124 15.2124 15.4020 15.4020 k = 0.5000 0.2887 0.0429 ( 4452 PWs) bands (ev): -28.7063 -28.7063 -28.6823 -28.6823 -10.1269 -10.1269 -10.0481 -10.0481 -9.7729 -9.7729 -9.7112 -9.7112 -9.6552 -9.6552 -9.6195 -9.6195 0.5246 0.5246 0.6114 0.6114 5.3402 5.3402 5.7738 5.7738 6.0810 6.0810 6.2065 6.2065 6.2646 6.2646 6.6253 6.6253 7.2586 7.2586 7.3256 7.3256 7.5711 7.5711 7.6934 7.6934 7.9816 7.9816 8.0898 8.0898 9.5030 9.5030 9.8594 9.8594 9.9123 9.9123 10.9413 10.9413 12.6495 12.6495 14.0277 14.0277 14.7751 14.7751 15.2428 15.2428 15.4037 15.4037 k = 0.5000 0.2887 0.0286 ( 4458 PWs) bands (ev): -28.7064 -28.7064 -28.6822 -28.6822 -10.1279 -10.1279 -10.0480 -10.0480 -9.7734 -9.7734 -9.7115 -9.7115 -9.6549 -9.6549 -9.6182 -9.6182 0.5234 0.5234 0.6112 0.6112 5.3399 5.3399 5.7772 5.7772 6.0821 6.0821 6.2098 6.2098 6.2650 6.2650 6.6344 6.6344 7.2592 7.2592 7.3300 7.3300 7.5697 7.5697 7.6881 7.6881 7.9882 7.9882 8.0918 8.0918 9.4814 9.4814 9.8519 9.8519 9.9084 9.9084 10.9210 10.9210 12.6410 12.6410 14.0419 14.0419 14.7701 14.7701 15.2639 15.2639 15.4067 15.4067 k = 0.5000 0.2887 0.0143 ( 4462 PWs) bands (ev): -28.7065 -28.7065 -28.6821 -28.6821 -10.1284 -10.1284 -10.0480 -10.0480 -9.7736 -9.7736 -9.7117 -9.7117 -9.6548 -9.6548 -9.6174 -9.6174 0.5227 0.5227 0.6110 0.6110 5.3398 5.3398 5.7792 5.7792 6.0828 6.0828 6.2117 6.2117 6.2653 6.2653 6.6401 6.6401 7.2596 7.2596 7.3328 7.3328 7.5689 7.5689 7.6848 7.6848 7.9924 7.9924 8.0929 8.0929 9.4680 9.4680 9.8474 9.8474 9.9061 9.9061 10.9087 10.9087 12.6359 12.6359 14.0506 14.0506 14.7671 14.7671 15.2760 15.2760 15.4095 15.4095 k = 0.5000 0.2887-0.0000 ( 4462 PWs) bands (ev): -28.7065 -28.7065 -28.6821 -28.6821 -10.1286 -10.1286 -10.0480 -10.0480 -9.7737 -9.7737 -9.7117 -9.7117 -9.6547 -9.6547 -9.6172 -9.6172 0.5225 0.5225 0.6110 0.6110 5.3398 5.3398 5.7798 5.7798 6.0830 6.0830 6.2123 6.2123 6.2654 6.2654 6.6420 6.6420 7.2597 7.2597 7.3337 7.3337 7.5686 7.5686 7.6836 7.6836 7.9938 7.9938 8.0933 8.0933 9.4634 9.4634 9.8460 9.8460 9.9054 9.9054 10.9046 10.9046 12.6342 12.6342 14.0535 14.0535 14.7660 14.7660 15.2799 15.2799 15.4107 15.4107 k = 0.3333 0.5774-0.0000 ( 4425 PWs) bands (ev): -28.7062 -28.7062 -28.6818 -28.6818 -10.1272 -10.1272 -10.0492 -10.0492 -9.7727 -9.7727 -9.7168 -9.7167 -9.6583 -9.6582 -9.6200 -9.6200 0.6285 0.6588 0.6664 0.6664 5.5620 5.7025 5.8894 5.8894 6.0861 6.0861 6.3043 6.3118 6.3216 6.3216 6.6551 6.6551 6.8209 6.8209 7.3889 7.3889 7.4645 7.6325 7.6325 7.7607 7.7607 7.8526 8.0969 8.2001 8.2001 8.2994 9.6240 9.6240 10.1785 10.2047 10.5845 10.5845 14.0429 14.2400 14.2400 14.4044 14.6467 14.6467 15.2872 15.4795 15.4795 15.5483 k = 0.3333 0.5774 0.0143 ( 4434 PWs) bands (ev): -28.7062 -28.7062 -28.6818 -28.6818 -10.1271 -10.1271 -10.0492 -10.0492 -9.7726 -9.7726 -9.7168 -9.7167 -9.6584 -9.6582 -9.6203 -9.6203 0.6287 0.6589 0.6665 0.6665 5.5617 5.7019 5.8894 5.8894 6.0858 6.0858 6.3031 6.3107 6.3208 6.3208 6.6539 6.6539 6.8207 6.8207 7.3893 7.3893 7.4649 7.6320 7.6320 7.7621 7.7621 7.8516 8.0971 8.2010 8.2010 8.2985 9.6234 9.6234 10.1833 10.2095 10.5873 10.5873 14.0424 14.2421 14.2421 14.4033 14.6446 14.6446 15.2863 15.4792 15.4792 15.5468 k = 0.3333 0.5774 0.0286 ( 4440 PWs) bands (ev): -28.7061 -28.7061 -28.6819 -28.6819 -10.1266 -10.1266 -10.0493 -10.0493 -9.7724 -9.7724 -9.7166 -9.7165 -9.6586 -9.6585 -9.6210 -9.6210 0.6292 0.6592 0.6669 0.6669 5.5609 5.7000 5.8894 5.8894 6.0848 6.0848 6.2998 6.3076 6.3186 6.3186 6.6506 6.6506 6.8201 6.8201 7.3902 7.3902 7.4663 7.6304 7.6304 7.7661 7.7661 7.8486 8.0974 8.2036 8.2036 8.2960 9.6215 9.6215 10.1977 10.2237 10.5960 10.5960 14.0409 14.2482 14.2482 14.3999 14.6383 14.6383 15.2839 15.4784 15.4784 15.5425 k = 0.3333 0.5774 0.0429 ( 4434 PWs) bands (ev): -28.7060 -28.7060 -28.6821 -28.6821 -10.1257 -10.1257 -10.0494 -10.0494 -9.7720 -9.7720 -9.7163 -9.7162 -9.6589 -9.6588 -9.6223 -9.6223 0.6301 0.6597 0.6676 0.6676 5.5594 5.6970 5.8894 5.8894 6.0832 6.0832 6.2944 6.3025 6.3149 6.3149 6.6452 6.6452 6.8193 6.8193 7.3917 7.3917 7.4685 7.6280 7.6280 7.7726 7.7726 7.8438 8.0980 8.2080 8.2080 8.2920 9.6179 9.6179 10.2213 10.2472 10.6108 10.6108 14.0385 14.2584 14.2584 14.3942 14.6277 14.6277 15.2799 15.4774 15.4774 15.5355 k = 0.3333 0.5774 0.0573 ( 4440 PWs) bands (ev): -28.7058 -28.7058 -28.6823 -28.6823 -10.1246 -10.1246 -10.0495 -10.0495 -9.7714 -9.7714 -9.7159 -9.7158 -9.6594 -9.6592 -9.6241 -9.6241 0.6312 0.6604 0.6685 0.6685 5.5575 5.6927 5.8893 5.8893 6.0808 6.0808 6.2871 6.2956 6.3098 6.3098 6.6379 6.6379 6.8183 6.8183 7.3938 7.3938 7.4715 7.6249 7.6249 7.7809 7.7809 7.8372 8.0988 8.2143 8.2143 8.2866 9.6120 9.6120 10.2539 10.2793 10.6320 10.6320 14.0348 14.2726 14.2726 14.3860 14.6126 14.6126 15.2748 15.4765 15.4765 15.5263 k = 0.3333 0.5774 0.0716 ( 4440 PWs) bands (ev): -28.7055 -28.7055 -28.6825 -28.6825 -10.1231 -10.1231 -10.0497 -10.0497 -9.7706 -9.7706 -9.7153 -9.7152 -9.6600 -9.6598 -9.6264 -9.6264 0.6327 0.6613 0.6697 0.6697 5.5550 5.6873 5.8892 5.8892 6.0777 6.0777 6.2781 6.2870 6.3036 6.3036 6.6290 6.6290 6.8172 6.8172 7.3964 7.3964 7.4753 7.6215 7.6215 7.7908 7.7908 7.8291 8.0998 8.2227 8.2227 8.2800 9.6034 9.6034 10.2947 10.3197 10.6598 10.6598 14.0299 14.2906 14.2906 14.3749 14.5930 14.5930 15.2688 15.4764 15.4764 15.5150 k = 0.3333 0.5774 0.0859 ( 4440 PWs) bands (ev): -28.7052 -28.7052 -28.6828 -28.6828 -10.1213 -10.1213 -10.0500 -10.0500 -9.7696 -9.7696 -9.7146 -9.7145 -9.6607 -9.6606 -9.6291 -9.6291 0.6344 0.6623 0.6711 0.6711 5.5520 5.6807 5.8890 5.8890 6.0739 6.0739 6.2677 6.2771 6.2962 6.2962 6.6187 6.6187 6.8163 6.8163 7.3994 7.3994 7.4798 7.6178 7.6178 7.8017 7.8017 7.8198 8.1010 8.2333 8.2333 8.2725 9.5913 9.5913 10.3433 10.3675 10.6945 10.6945 14.0236 14.3126 14.3126 14.3608 14.5686 14.5686 15.2624 15.4775 15.4775 15.5022 k = 0.3333 0.5774 0.1002 ( 4440 PWs) bands (ev): -28.7048 -28.7048 -28.6832 -28.6832 -10.1192 -10.1192 -10.0503 -10.0503 -9.7684 -9.7684 -9.7138 -9.7137 -9.6615 -9.6614 -9.6323 -9.6323 0.6365 0.6635 0.6727 0.6727 5.5485 5.6730 5.8886 5.8886 6.0692 6.0692 6.2563 6.2660 6.2881 6.2881 6.6074 6.6074 6.8154 6.8154 7.4028 7.4028 7.4850 7.6140 7.6140 7.8095 7.8132 7.8132 8.1024 8.2463 8.2463 8.2643 9.5754 9.5754 10.3987 10.4221 10.7363 10.7363 14.0156 14.3380 14.3380 14.3432 14.5396 14.5396 15.2561 15.4803 15.4803 15.4882 k = 0.3333 0.5774 0.1145 ( 4446 PWs) bands (ev): -28.7044 -28.7044 -28.6836 -28.6836 -10.1169 -10.1169 -10.0507 -10.0507 -9.7670 -9.7670 -9.7129 -9.7128 -9.6625 -9.6623 -9.6359 -9.6359 0.6387 0.6647 0.6745 0.6745 5.5447 5.6643 5.8881 5.8881 6.0638 6.0638 6.2442 6.2541 6.2793 6.2793 6.5956 6.5956 6.8148 6.8148 7.4064 7.4064 7.4908 7.6103 7.6103 7.7984 7.8249 7.8249 8.1039 8.2557 8.2620 8.2620 9.5553 9.5553 10.4601 10.4825 10.7848 10.7848 14.0057 14.3219 14.3659 14.3659 14.5068 14.5068 15.2503 15.4735 15.4852 15.4852 k = 0.3333 0.5774 0.1288 ( 4437 PWs) bands (ev): -28.7040 -28.7040 -28.6841 -28.6841 -10.1143 -10.1143 -10.0511 -10.0511 -9.7654 -9.7654 -9.7118 -9.7118 -9.6635 -9.6633 -9.6399 -9.6399 0.6412 0.6661 0.6764 0.6764 5.5404 5.6546 5.8873 5.8873 6.0576 6.0576 6.2316 6.2417 6.2702 6.2702 6.5835 6.5835 6.8143 6.8143 7.4102 7.4102 7.4972 7.6065 7.6066 7.7867 7.8365 7.8365 8.1056 8.2468 8.2804 8.2804 9.5309 9.5309 10.5266 10.5478 10.8398 10.8398 13.9939 14.2968 14.3928 14.3928 14.4738 14.4738 15.2456 15.4587 15.4924 15.4924 k = 0.3333 0.5774 0.1431 ( 4428 PWs) bands (ev): -28.7035 -28.7035 -28.6845 -28.6845 -10.1115 -10.1115 -10.0516 -10.0516 -9.7635 -9.7635 -9.7107 -9.7106 -9.6646 -9.6644 -9.6442 -9.6442 0.6438 0.6675 0.6785 0.6785 5.5360 5.6441 5.8862 5.8862 6.0507 6.0507 6.2190 6.2290 6.2611 6.2611 6.5715 6.5715 6.8141 6.8141 7.4141 7.4141 7.5040 7.6029 7.6029 7.7747 7.8477 7.8477 8.1074 8.2378 8.3017 8.3017 9.5024 9.5024 10.5972 10.6170 10.9005 10.9005 13.9800 14.2676 14.3957 14.3957 14.4638 14.4638 15.2424 15.4439 15.5021 15.5021 k = 0.3333 0.5774 0.1575 ( 4428 PWs) bands (ev): -28.7029 -28.7029 -28.6851 -28.6851 -10.1086 -10.1086 -10.0523 -10.0523 -9.7614 -9.7614 -9.7095 -9.7094 -9.6658 -9.6657 -9.6489 -9.6489 0.6465 0.6689 0.6805 0.6805 5.5313 5.6328 5.8847 5.8847 6.0432 6.0432 6.2066 6.2163 6.2523 6.2523 6.5599 6.5599 6.8140 6.8140 7.4181 7.4181 7.5113 7.5994 7.5994 7.7623 7.8582 7.8582 8.1094 8.2288 8.3259 8.3259 9.4699 9.4699 10.6709 10.6892 10.9661 10.9661 13.9639 14.2345 14.3586 14.3586 14.4930 14.4930 15.2408 15.4297 15.5143 15.5143 k = 0.3333 0.5774 0.1718 ( 4419 PWs) bands (ev): -28.7023 -28.7023 -28.6857 -28.6857 -10.1055 -10.1055 -10.0530 -10.0530 -9.7590 -9.7590 -9.7082 -9.7081 -9.6671 -9.6670 -9.6538 -9.6538 0.6493 0.6702 0.6826 0.6826 5.5266 5.6211 5.8827 5.8827 6.0355 6.0355 6.1947 6.2039 6.2439 6.2439 6.5488 6.5488 6.8141 6.8141 7.4219 7.4219 7.5189 7.5961 7.5961 7.7499 7.8679 7.8679 8.1115 8.2201 8.3530 8.3530 9.4337 9.4337 10.7466 10.7632 11.0356 11.0356 13.9457 14.1976 14.3092 14.3092 14.5343 14.5343 15.2413 15.4164 15.5287 15.5287 k = 0.3333 0.5774 0.1861 ( 4440 PWs) bands (ev): -28.7017 -28.7017 -28.6863 -28.6863 -10.1024 -10.1024 -10.0538 -10.0538 -9.7565 -9.7565 -9.7068 -9.7067 -9.6686 -9.6684 -9.6590 -9.6590 0.6521 0.6715 0.6846 0.6846 5.5220 5.6089 5.8803 5.8803 6.0276 6.0276 6.1833 6.1919 6.2361 6.2361 6.5385 6.5385 6.8142 6.8142 7.4257 7.4257 7.5269 7.5930 7.5930 7.7375 7.8767 7.8767 8.1138 8.2116 8.3830 8.3830 9.3944 9.3944 10.8230 10.8378 11.1078 11.1078 13.9256 14.1574 14.2550 14.2550 14.5805 14.5805 15.2438 15.4042 15.5449 15.5449 k = 0.3333 0.5774 0.2004 ( 4440 PWs) bands (ev): -28.7011 -28.7011 -28.6870 -28.6870 -10.0992 -10.0992 -10.0548 -10.0548 -9.7537 -9.7537 -9.7053 -9.7052 -9.6701 -9.6699 -9.6644 -9.6644 0.6549 0.6727 0.6867 0.6867 5.5176 5.5966 5.8773 5.8773 6.0200 6.0200 6.1728 6.1807 6.2290 6.2290 6.5290 6.5290 6.8145 6.8145 7.4292 7.4292 7.5352 7.5901 7.5901 7.7251 7.8846 7.8846 8.1162 8.2034 8.4156 8.4156 9.3525 9.3525 10.8989 10.9118 11.1814 11.1814 13.9040 14.1145 14.1982 14.1982 14.6302 14.6302 15.2482 15.3933 15.5612 15.5612 k = 0.3333 0.5774 0.2147 ( 4440 PWs) bands (ev): -28.7004 -28.7004 -28.6877 -28.6877 -10.0959 -10.0959 -10.0559 -10.0559 -9.7506 -9.7506 -9.7038 -9.7037 -9.6716 -9.6714 -9.6700 -9.6700 0.6577 0.6737 0.6886 0.6886 5.5136 5.5844 5.8737 5.8737 6.0128 6.0128 6.1633 6.1703 6.2228 6.2228 6.5204 6.5204 6.8148 6.8148 7.4325 7.4325 7.5439 7.5874 7.5874 7.7128 7.8915 7.8915 8.1188 8.1956 8.4505 8.4505 9.3084 9.3084 10.9730 10.9840 11.2549 11.2549 13.8814 14.0697 14.1403 14.1403 14.6830 14.6830 15.2545 15.3837 15.5714 15.5714 k = 0.3333 0.5774 0.2290 ( 4434 PWs) bands (ev): -28.6996 -28.6996 -28.6884 -28.6884 -10.0927 -10.0927 -10.0571 -10.0571 -9.7472 -9.7472 -9.7022 -9.7021 -9.6757 -9.6757 -9.6731 -9.6730 0.6604 0.6746 0.6904 0.6904 5.5101 5.5724 5.8698 5.8698 6.0064 6.0064 6.1548 6.1609 6.2173 6.2173 6.5128 6.5128 6.8152 6.8152 7.4355 7.4355 7.5527 7.5850 7.5850 7.7007 7.8974 7.8974 8.1216 8.1882 8.4875 8.4875 9.2628 9.2628 11.0438 11.0529 11.3266 11.3266 13.8586 14.0242 14.0829 14.0829 14.7383 14.7383 15.2624 15.3754 15.5559 15.5559 k = 0.3333 0.5774 0.2434 ( 4428 PWs) bands (ev): -28.6989 -28.6989 -28.6892 -28.6892 -10.0894 -10.0894 -10.0584 -10.0584 -9.7435 -9.7435 -9.7006 -9.7005 -9.6814 -9.6814 -9.6747 -9.6746 0.6630 0.6753 0.6921 0.6921 5.5072 5.5610 5.8656 5.8656 6.0008 6.0008 6.1473 6.1526 6.2127 6.2127 6.5062 6.5062 6.8156 6.8156 7.4382 7.4382 7.5619 7.5829 7.5829 7.6887 7.9024 7.9024 8.1246 8.1812 8.5260 8.5260 9.2165 9.2165 11.1097 11.1171 11.3948 11.3948 13.8367 13.9791 14.0274 14.0274 14.7959 14.7959 15.2715 15.3682 15.5188 15.5188 k = 0.3333 0.5774 0.2577 ( 4428 PWs) bands (ev): -28.6981 -28.6981 -28.6900 -28.6900 -10.0863 -10.0863 -10.0599 -10.0599 -9.7396 -9.7396 -9.6991 -9.6990 -9.6872 -9.6872 -9.6763 -9.6762 0.6654 0.6758 0.6935 0.6935 5.5053 5.5502 5.8614 5.8614 5.9962 5.9962 6.1411 6.1454 6.2088 6.2088 6.5006 6.5006 6.8159 6.8159 7.4405 7.4405 7.5713 7.5810 7.5810 7.6770 7.9065 7.9065 8.1278 8.1746 8.5652 8.5652 9.1704 9.1704 11.1693 11.1750 11.4575 11.4575 13.8167 13.9356 13.9757 13.9757 14.8554 14.8554 15.2814 15.3618 15.4730 15.4730 k = 0.3333 0.5774 0.2720 ( 4431 PWs) bands (ev): -28.6973 -28.6973 -28.6907 -28.6907 -10.0832 -10.0832 -10.0616 -10.0616 -9.7353 -9.7353 -9.6976 -9.6975 -9.6930 -9.6930 -9.6778 -9.6777 0.6676 0.6760 0.6947 0.6947 5.5042 5.5403 5.8575 5.8575 5.9926 5.9926 6.1360 6.1394 6.2057 6.2057 6.4960 6.4960 6.8162 6.8162 7.4424 7.4424 7.5795 7.5795 7.5809 7.6654 7.9098 7.9098 8.1312 8.1684 8.6041 8.6041 9.1256 9.1256 11.2209 11.2252 11.5128 11.5128 13.8000 13.8953 13.9295 13.9295 14.9161 14.9161 15.2917 15.3559 15.4221 15.4221 k = 0.3333 0.5774 0.2863 ( 4431 PWs) bands (ev): -28.6965 -28.6965 -28.6916 -28.6916 -10.0804 -10.0804 -10.0633 -10.0633 -9.7309 -9.7309 -9.6987 -9.6987 -9.6962 -9.6961 -9.6792 -9.6791 0.6696 0.6759 0.6957 0.6957 5.5043 5.5314 5.8541 5.8541 5.9899 5.9899 6.1321 6.1346 6.2034 6.2034 6.4925 6.4925 6.8165 6.8165 7.4439 7.4439 7.5783 7.5783 7.5907 7.6541 7.9123 7.9123 8.1348 8.1625 8.6410 8.6410 9.0841 9.0841 11.2631 11.2660 11.5585 11.5585 13.7878 13.8594 13.8910 13.8910 14.9773 14.9773 15.3020 15.3500 15.3678 15.3678 k = 0.3333 0.5774 0.3006 ( 4440 PWs) bands (ev): -28.6957 -28.6957 -28.6924 -28.6924 -10.0779 -10.0779 -10.0651 -10.0651 -9.7263 -9.7263 -9.7042 -9.7042 -9.6950 -9.6949 -9.6804 -9.6803 0.6713 0.6756 0.6964 0.6964 5.5056 5.5237 5.8514 5.8514 5.9880 5.9880 6.1294 6.1311 6.2017 6.2017 6.4899 6.4899 6.8166 6.8166 7.4450 7.4450 7.5775 7.5775 7.6007 7.6430 7.9141 7.9141 8.1387 8.1571 8.6731 8.6731 9.0486 9.0486 11.2944 11.2962 11.5928 11.5928 13.7816 13.8293 13.8619 13.8619 15.0377 15.0377 15.3119 15.3121 15.3121 15.3439 k = 0.3333 0.5774 0.3149 ( 4440 PWs) bands (ev): -28.6949 -28.6949 -28.6932 -28.6932 -10.0758 -10.0758 -10.0666 -10.0666 -9.7217 -9.7217 -9.7093 -9.7093 -9.6942 -9.6942 -9.6812 -9.6812 0.6728 0.6750 0.6969 0.6969 5.5081 5.5172 5.8498 5.8498 5.9869 5.9869 6.1280 6.1288 6.2007 6.2007 6.4884 6.4884 6.8168 6.8168 7.4457 7.4457 7.5769 7.5769 7.6110 7.6321 7.9152 7.9152 8.1428 8.1520 8.6961 8.6961 9.0235 9.0235 11.3138 11.3146 11.6142 11.6142 13.7821 13.8060 13.8437 13.8437 15.0932 15.0932 15.2593 15.2593 15.3212 15.3372 k = 0.3333 0.5774 0.3292 ( 4434 PWs) bands (ev): -28.6941 -28.6941 -28.6940 -28.6940 -10.0750 -10.0750 -10.0672 -10.0672 -9.7188 -9.7188 -9.7124 -9.7124 -9.6939 -9.6939 -9.6815 -9.6815 0.6741 0.6741 0.6970 0.6970 5.5120 5.5120 5.8492 5.8492 5.9865 5.9865 6.1278 6.1278 6.2003 6.2003 6.4879 6.4879 6.8168 6.8168 7.4459 7.4459 7.5768 7.5768 7.6214 7.6214 7.9155 7.9155 8.1473 8.1473 8.7046 8.7046 9.0143 9.0143 11.3206 11.3206 11.6214 11.6214 13.7902 13.7902 13.8375 13.8375 15.1232 15.1232 15.2302 15.2302 15.3296 15.3296 Writing output data file CaBiAu.save init_run : 3.65s CPU 13.68s WALL ( 1 calls) electrons : 1816.06s CPU 1829.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.52s CPU 1.47s WALL ( 1 calls) Called by electrons: c_bands : 1816.02s CPU 1829.67s WALL ( 1 calls) v_of_rho : 0.25s CPU 0.86s WALL ( 1 calls) v_h : 0.01s CPU 0.03s WALL ( 1 calls) v_xc : 0.23s CPU 0.58s WALL ( 1 calls) newd : 0.54s CPU 0.67s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 296 calls) cegterg : 1747.69s CPU 1758.01s WALL ( 1489 calls) Called by sum_band: Called by *egterg: h_psi : 649.48s CPU 666.56s WALL ( 29917 calls) s_psi : 73.39s CPU 74.43s WALL ( 29917 calls) g_psi : 1.51s CPU 1.58s WALL ( 28132 calls) cdiaghg : 751.24s CPU 745.45s WALL ( 28428 calls) cegterg:over : 144.69s CPU 138.60s WALL ( 28132 calls) cegterg:upda : 33.26s CPU 41.18s WALL ( 28132 calls) cegterg:last : 25.42s CPU 26.67s WALL ( 3561 calls) Called by h_psi: h_psi:vloc : 493.92s CPU 508.38s WALL ( 29917 calls) h_psi:vnl : 154.94s CPU 156.30s WALL ( 29917 calls) add_vuspsi : 54.72s CPU 64.36s WALL ( 29917 calls) General routines calbec : 100.13s CPU 91.78s WALL ( 29917 calls) fft : 0.38s CPU 1.27s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 468.76s CPU 475.13s WALL ( 2541412 calls) interpolate : 0.07s CPU 0.10s WALL ( 4 calls) davcio : 0.01s CPU 1.88s WALL ( 592 calls) Parallel routines fft_scatter : 282.70s CPU 286.82s WALL ( 2541435 calls) PWSCF : 31m17.29s CPU 35m17.58s WALL This run was terminated on: 2:33:54 15Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=