Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:35:50 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ScNiBi.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 60 26 7 1833 542 84 Max 61 27 8 1836 557 89 Sum 2161 955 283 66027 19747 3119 bravais-lattice index = 14 lattice parameter (alat) = 8.2726 a.u. unit-cell volume = 400.3307 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.272650 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 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) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 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 Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 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 1173 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 15.00 208.98040 Bi( 1.00) Ni 10.00 58.69340 Ni( 1.00) Sc 11.00 44.95590 Sc( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 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 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 339 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0029499 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0029499 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0029499 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0029499 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0029499 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0029499 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0029499 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0029499 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0029499 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0029499 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0029499 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0029499 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0029499 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0029499 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0029499 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0029499 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0029499 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0029499 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0029499 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0029499 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0029499 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0029499 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0029499 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0029499 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0029499 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0029499 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0029499 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0029499 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0029499 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0029499 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0029499 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0029499 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0029499 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0029499 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0029499 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0029499 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0029499 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0029499 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0029499 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0029499 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0029499 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0029499 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0029499 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0029499 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0029499 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0029499 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0029499 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0029499 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0029499 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0029499 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0029499 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0029499 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0029499 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0029499 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0029499 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0029499 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0029499 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0029499 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0029499 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0029499 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0029499 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0029499 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0029499 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0029499 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0029499 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0029499 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0029499 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0029499 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0029499 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0029499 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0029499 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0029499 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0029499 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0029499 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0029499 k( 79) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 81) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029499 k( 82) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029499 k( 83) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029499 k( 84) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029499 k( 85) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029499 k( 86) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029499 k( 87) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029499 k( 88) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029499 k( 89) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029499 k( 90) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029499 k( 91) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029499 k( 92) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029499 k( 93) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029499 k( 94) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029499 k( 95) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029499 k( 96) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029499 k( 97) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029499 k( 98) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 100) = ( 0.3680556 0.2124970 0.6010322), wk = 0.0029499 k( 101) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0029499 k( 102) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0029499 k( 103) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0029499 k( 104) = ( 0.3402778 0.1964595 0.5556713), wk = 0.0029499 k( 105) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0029499 k( 106) = ( 0.3263889 0.1884407 0.5329908), wk = 0.0029499 k( 107) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0029499 k( 108) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0029499 k( 109) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0029499 k( 110) = ( 0.2986111 0.1724032 0.4876299), wk = 0.0029499 k( 111) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0029499 k( 112) = ( 0.2847222 0.1643845 0.4649494), wk = 0.0029499 k( 113) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0029499 k( 114) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0029499 k( 115) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0029499 k( 116) = ( 0.2569444 0.1483469 0.4195885), wk = 0.0029499 k( 117) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0029499 k( 118) = ( 0.2430556 0.1403282 0.3969081), wk = 0.0029499 k( 119) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0029499 k( 120) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0029499 k( 121) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0029499 k( 122) = ( 0.2152778 0.1242907 0.3515471), wk = 0.0029499 k( 123) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0029499 k( 124) = ( 0.2013889 0.1162719 0.3288667), wk = 0.0029499 k( 125) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0029499 k( 126) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0029499 k( 127) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0029499 k( 128) = ( 0.1736111 0.1002344 0.2835058), wk = 0.0029499 k( 129) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0029499 k( 130) = ( 0.1597222 0.0922157 0.2608253), wk = 0.0029499 k( 131) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0029499 k( 132) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0029499 k( 133) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0029499 k( 134) = ( 0.1319444 0.0761782 0.2154644), wk = 0.0029499 k( 135) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0029499 k( 136) = ( 0.1180556 0.0681594 0.1927839), wk = 0.0029499 k( 137) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0029499 k( 138) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0029499 k( 139) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0029499 k( 140) = ( 0.0902778 0.0521219 0.1474230), wk = 0.0029499 k( 141) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0029499 k( 142) = ( 0.0763889 0.0441031 0.1247425), wk = 0.0029499 k( 143) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0029499 k( 144) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0029499 k( 145) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0029499 k( 146) = ( 0.0486111 0.0280656 0.0793816), wk = 0.0029499 k( 147) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0029499 k( 148) = ( 0.0347222 0.0200469 0.0567011), wk = 0.0029499 k( 149) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0029499 k( 150) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0029499 k( 151) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0029499 k( 152) = ( 0.0069444 0.0040094 0.0113402), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 155) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029499 k( 156) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029499 k( 157) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029499 k( 158) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029499 k( 159) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029499 k( 160) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029499 k( 161) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029499 k( 162) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029499 k( 163) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029499 k( 164) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029499 k( 165) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029499 k( 166) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029499 k( 167) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029499 k( 168) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029499 k( 169) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029499 k( 170) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029499 k( 171) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029499 k( 172) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029499 k( 173) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029499 k( 174) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029499 k( 175) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029499 k( 176) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029499 k( 177) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029499 k( 178) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029499 k( 179) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029499 k( 180) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029499 k( 181) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029499 k( 182) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029499 k( 183) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029499 k( 184) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029499 k( 185) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029499 k( 186) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029499 k( 187) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029499 k( 188) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029499 k( 189) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029499 k( 190) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029499 k( 191) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029499 k( 192) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029499 k( 193) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029499 k( 194) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029499 k( 195) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029499 k( 196) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029499 k( 197) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029499 k( 198) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 199) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 200) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0029499 k( 201) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0029499 k( 202) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0029499 k( 203) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0029499 k( 204) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0029499 k( 205) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0029499 k( 206) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0029499 k( 207) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0029499 k( 208) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0029499 k( 209) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0029499 k( 210) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0029499 k( 211) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0029499 k( 212) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0029499 k( 213) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0029499 k( 214) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0029499 k( 215) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0029499 k( 216) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0029499 k( 217) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0029499 k( 218) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0029499 k( 219) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0029499 k( 220) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0029499 k( 221) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0029499 k( 222) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0029499 k( 223) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0029499 k( 224) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0029499 k( 225) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0029499 k( 226) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0029499 k( 227) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0029499 k( 228) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0029499 k( 229) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0029499 k( 230) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0029499 k( 231) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 232) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 233) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029499 k( 234) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029499 k( 235) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029499 k( 236) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029499 k( 237) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029499 k( 238) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029499 k( 239) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029499 k( 240) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029499 k( 241) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029499 k( 242) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029499 k( 243) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029499 k( 244) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029499 k( 245) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029499 k( 246) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029499 k( 247) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029499 k( 248) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029499 k( 249) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029499 k( 250) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 251) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 252) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029499 k( 253) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029499 k( 254) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029499 k( 255) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029499 k( 256) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029499 k( 257) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029499 k( 258) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029499 k( 259) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029499 k( 260) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029499 k( 261) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029499 k( 262) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029499 k( 263) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029499 k( 264) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029499 k( 265) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029499 k( 266) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029499 k( 267) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029499 k( 268) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029499 k( 269) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029499 k( 270) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029499 k( 271) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029499 k( 272) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029499 k( 273) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029499 k( 274) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029499 k( 275) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029499 k( 276) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029499 k( 277) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029499 k( 278) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029499 k( 279) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029499 k( 280) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029499 k( 281) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029499 k( 282) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029499 k( 283) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029499 k( 284) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029499 k( 285) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029499 k( 286) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029499 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 288) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 289) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0029499 k( 290) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0029499 k( 291) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0029499 k( 292) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0029499 k( 293) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0029499 k( 294) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0029499 k( 295) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0029499 k( 296) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0029499 k( 297) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0029499 k( 298) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0029499 k( 299) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0029499 k( 300) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0029499 k( 301) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0029499 k( 302) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0029499 k( 303) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0029499 k( 304) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0029499 k( 305) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0029499 k( 306) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0029499 k( 307) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0029499 k( 308) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0029499 k( 309) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0029499 k( 310) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0029499 k( 311) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0029499 k( 312) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0029499 k( 313) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0029499 k( 314) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0029499 k( 315) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0029499 k( 316) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0029499 k( 317) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0029499 k( 318) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0029499 k( 319) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0029499 k( 320) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 321) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 322) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029499 k( 323) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029499 k( 324) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029499 k( 325) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029499 k( 326) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029499 k( 327) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029499 k( 328) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029499 k( 329) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029499 k( 330) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029499 k( 331) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029499 k( 332) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029499 k( 333) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029499 k( 334) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029499 k( 335) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029499 k( 336) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029499 k( 337) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029499 k( 338) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029499 k( 339) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0098039 -0.0000000 0.0098039), wk = 0.0029499 k( 3) = ( 0.0196078 -0.0000000 0.0196078), wk = 0.0029499 k( 4) = ( 0.0294118 -0.0000000 0.0294118), wk = 0.0029499 k( 5) = ( 0.0392157 -0.0000000 0.0392157), wk = 0.0029499 k( 6) = ( 0.0490196 -0.0000000 0.0490196), wk = 0.0029499 k( 7) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0029499 k( 8) = ( 0.0686275 0.0000000 0.0686275), wk = 0.0029499 k( 9) = ( 0.0784314 -0.0000000 0.0784314), wk = 0.0029499 k( 10) = ( 0.0882353 0.0000000 0.0882353), wk = 0.0029499 k( 11) = ( 0.0980392 -0.0000000 0.0980392), wk = 0.0029499 k( 12) = ( 0.1078431 -0.0000000 0.1078431), wk = 0.0029499 k( 13) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0029499 k( 14) = ( 0.1274510 0.0000000 0.1274510), wk = 0.0029499 k( 15) = ( 0.1372549 0.0000000 0.1372549), wk = 0.0029499 k( 16) = ( 0.1470588 0.0000000 0.1470588), wk = 0.0029499 k( 17) = ( 0.1568627 -0.0000000 0.1568627), wk = 0.0029499 k( 18) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0029499 k( 19) = ( 0.1764706 0.0000000 0.1764706), wk = 0.0029499 k( 20) = ( 0.1862745 -0.0000000 0.1862745), wk = 0.0029499 k( 21) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0029499 k( 22) = ( 0.2058823 -0.0000000 0.2058823), wk = 0.0029499 k( 23) = ( 0.2156863 -0.0000000 0.2156863), wk = 0.0029499 k( 24) = ( 0.2254902 -0.0000000 0.2254902), wk = 0.0029499 k( 25) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0029499 k( 26) = ( 0.2450980 -0.0000000 0.2450980), wk = 0.0029499 k( 27) = ( 0.2549020 0.0000000 0.2549020), wk = 0.0029499 k( 28) = ( 0.2647059 0.0000000 0.2647059), wk = 0.0029499 k( 29) = ( 0.2745098 0.0000000 0.2745098), wk = 0.0029499 k( 30) = ( 0.2843137 0.0000000 0.2843137), wk = 0.0029499 k( 31) = ( 0.2941177 0.0000000 0.2941177), wk = 0.0029499 k( 32) = ( 0.3039216 0.0000000 0.3039216), wk = 0.0029499 k( 33) = ( 0.3137255 0.0000000 0.3137255), wk = 0.0029499 k( 34) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0029499 k( 35) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0029499 k( 36) = ( 0.3431373 -0.0000000 0.3431372), wk = 0.0029499 k( 37) = ( 0.3529412 0.0000000 0.3529412), wk = 0.0029499 k( 38) = ( 0.3627451 -0.0000000 0.3627451), wk = 0.0029499 k( 39) = ( 0.3725490 -0.0000000 0.3725490), wk = 0.0029499 k( 40) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0029499 k( 41) = ( 0.3921569 -0.0000000 0.3921569), wk = 0.0029499 k( 42) = ( 0.4019608 -0.0000000 0.4019608), wk = 0.0029499 k( 43) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0029499 k( 44) = ( 0.4215686 -0.0000000 0.4215686), wk = 0.0029499 k( 45) = ( 0.4313726 -0.0000000 0.4313725), wk = 0.0029499 k( 46) = ( 0.4411765 -0.0000000 0.4411765), wk = 0.0029499 k( 47) = ( 0.4509804 -0.0000000 0.4509804), wk = 0.0029499 k( 48) = ( 0.4607843 -0.0000000 0.4607843), wk = 0.0029499 k( 49) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0029499 k( 50) = ( 0.4803922 -0.0000000 0.4803922), wk = 0.0029499 k( 51) = ( 0.4901961 -0.0000000 0.4901961), wk = 0.0029499 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 k( 54) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0029499 k( 55) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0029499 k( 56) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0029499 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0029499 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0029499 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0029499 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0029499 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0029499 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0029499 k( 63) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0029499 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0029499 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0029499 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0029499 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0029499 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0029499 k( 69) = ( 0.5000000 0.1538461 0.6538461), wk = 0.0029499 k( 70) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0029499 k( 71) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0029499 k( 72) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0029499 k( 73) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0029499 k( 74) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0029499 k( 75) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0029499 k( 76) = ( 0.5000000 0.2211538 0.7211538), wk = 0.0029499 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0029499 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0029499 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 81) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029499 k( 82) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029499 k( 83) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029499 k( 84) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029499 k( 85) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029499 k( 86) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029499 k( 87) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029499 k( 88) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029499 k( 89) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029499 k( 90) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029499 k( 91) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029499 k( 92) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029499 k( 93) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029499 k( 94) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029499 k( 95) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029499 k( 96) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029499 k( 97) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029499 k( 98) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 100) = ( 0.3680556 0.3680556 0.7361111), wk = 0.0029499 k( 101) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0029499 k( 102) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0029499 k( 103) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0029499 k( 104) = ( 0.3402778 0.3402778 0.6805556), wk = 0.0029499 k( 105) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0029499 k( 106) = ( 0.3263889 0.3263889 0.6527778), wk = 0.0029499 k( 107) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0029499 k( 108) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0029499 k( 109) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0029499 k( 110) = ( 0.2986111 0.2986111 0.5972222), wk = 0.0029499 k( 111) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0029499 k( 112) = ( 0.2847222 0.2847222 0.5694444), wk = 0.0029499 k( 113) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0029499 k( 114) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0029499 k( 115) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0029499 k( 116) = ( 0.2569444 0.2569444 0.5138889), wk = 0.0029499 k( 117) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029499 k( 118) = ( 0.2430556 0.2430556 0.4861111), wk = 0.0029499 k( 119) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0029499 k( 120) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0029499 k( 121) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0029499 k( 122) = ( 0.2152778 0.2152778 0.4305556), wk = 0.0029499 k( 123) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0029499 k( 124) = ( 0.2013889 0.2013889 0.4027778), wk = 0.0029499 k( 125) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0029499 k( 126) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0029499 k( 127) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0029499 k( 128) = ( 0.1736111 0.1736111 0.3472222), wk = 0.0029499 k( 129) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029499 k( 130) = ( 0.1597222 0.1597222 0.3194444), wk = 0.0029499 k( 131) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0029499 k( 132) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0029499 k( 133) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0029499 k( 134) = ( 0.1319444 0.1319444 0.2638889), wk = 0.0029499 k( 135) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0029499 k( 136) = ( 0.1180556 0.1180556 0.2361111), wk = 0.0029499 k( 137) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0029499 k( 138) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0029499 k( 139) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0029499 k( 140) = ( 0.0902778 0.0902778 0.1805556), wk = 0.0029499 k( 141) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0029499 k( 142) = ( 0.0763889 0.0763889 0.1527778), wk = 0.0029499 k( 143) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0029499 k( 144) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0029499 k( 145) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0029499 k( 146) = ( 0.0486111 0.0486111 0.0972222), wk = 0.0029499 k( 147) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0029499 k( 148) = ( 0.0347222 0.0347222 0.0694444), wk = 0.0029499 k( 149) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0029499 k( 150) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0029499 k( 151) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0029499 k( 152) = ( 0.0069444 0.0069444 0.0138889), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 155) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029499 k( 156) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029499 k( 157) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029499 k( 158) = ( 0.0454546 0.0454545 0.0454546), wk = 0.0029499 k( 159) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029499 k( 160) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029499 k( 161) = ( 0.0795455 0.0795454 0.0795454), wk = 0.0029499 k( 162) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029499 k( 163) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029499 k( 164) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029499 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029499 k( 166) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029499 k( 167) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029499 k( 168) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029499 k( 169) = ( 0.1704546 0.1704545 0.1704545), wk = 0.0029499 k( 170) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029499 k( 171) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029499 k( 172) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0029499 k( 173) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029499 k( 174) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029499 k( 175) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029499 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 k( 177) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029499 k( 178) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029499 k( 179) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029499 k( 180) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029499 k( 181) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029499 k( 182) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029499 k( 183) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0029499 k( 184) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029499 k( 185) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029499 k( 186) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029499 k( 187) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029499 k( 188) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029499 k( 189) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029499 k( 190) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029499 k( 191) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029499 k( 192) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029499 k( 193) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029499 k( 194) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0029499 k( 195) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029499 k( 196) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029499 k( 197) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029499 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 200) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0029499 k( 201) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0029499 k( 202) = ( 0.5117188 0.4765625 0.5117187), wk = 0.0029499 k( 203) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0029499 k( 204) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0029499 k( 205) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0029499 k( 206) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0029499 k( 207) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0029499 k( 208) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0029499 k( 209) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0029499 k( 210) = ( 0.5429688 0.4140625 0.5429687), wk = 0.0029499 k( 211) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0029499 k( 212) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0029499 k( 213) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0029499 k( 214) = ( 0.5585938 0.3828125 0.5585937), wk = 0.0029499 k( 215) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0029499 k( 216) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0029499 k( 217) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0029499 k( 218) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0029499 k( 219) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0029499 k( 220) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0029499 k( 221) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0029499 k( 222) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0029499 k( 223) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0029499 k( 224) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0029499 k( 225) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0029499 k( 226) = ( 0.6054688 0.2890625 0.6054687), wk = 0.0029499 k( 227) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0029499 k( 228) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0029499 k( 229) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0029499 k( 230) = ( 0.6210938 0.2578125 0.6210937), wk = 0.0029499 k( 231) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 232) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 233) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029499 k( 234) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029499 k( 235) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029499 k( 236) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029499 k( 237) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029499 k( 238) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029499 k( 239) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029499 k( 240) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029499 k( 241) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029499 k( 242) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029499 k( 243) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029499 k( 244) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029499 k( 245) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029499 k( 246) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029499 k( 247) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029499 k( 248) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029499 k( 249) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029499 k( 250) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 251) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 252) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029499 k( 253) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029499 k( 254) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029499 k( 255) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029499 k( 256) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029499 k( 257) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029499 k( 258) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029499 k( 259) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029499 k( 260) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029499 k( 261) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029499 k( 262) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029499 k( 263) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029499 k( 264) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029499 k( 265) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029499 k( 266) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029499 k( 267) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029499 k( 268) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029499 k( 269) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029499 k( 270) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029499 k( 271) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029499 k( 272) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029499 k( 273) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029499 k( 274) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029499 k( 275) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029499 k( 276) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029499 k( 277) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029499 k( 278) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029499 k( 279) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029499 k( 280) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029499 k( 281) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029499 k( 282) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029499 k( 283) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029499 k( 284) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029499 k( 285) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029499 k( 286) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029499 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 288) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 289) = ( 0.4960938 0.4960937 0.5078125), wk = 0.0029499 k( 290) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0029499 k( 291) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0029499 k( 292) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0029499 k( 293) = ( 0.4804688 0.4804687 0.5390625), wk = 0.0029499 k( 294) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0029499 k( 295) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0029499 k( 296) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0029499 k( 297) = ( 0.4648438 0.4648437 0.5703125), wk = 0.0029499 k( 298) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0029499 k( 299) = ( 0.4570312 0.4570312 0.5859375), wk = 0.0029499 k( 300) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0029499 k( 301) = ( 0.4492188 0.4492187 0.6015625), wk = 0.0029499 k( 302) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0029499 k( 303) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0029499 k( 304) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0029499 k( 305) = ( 0.4335938 0.4335937 0.6328125), wk = 0.0029499 k( 306) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0029499 k( 307) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0029499 k( 308) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0029499 k( 309) = ( 0.4179688 0.4179687 0.6640625), wk = 0.0029499 k( 310) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0029499 k( 311) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0029499 k( 312) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0029499 k( 313) = ( 0.4023438 0.4023437 0.6953125), wk = 0.0029499 k( 314) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0029499 k( 315) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0029499 k( 316) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0029499 k( 317) = ( 0.3867188 0.3867187 0.7265625), wk = 0.0029499 k( 318) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0029499 k( 319) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0029499 k( 320) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 321) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 322) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029499 k( 323) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029499 k( 324) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029499 k( 325) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029499 k( 326) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029499 k( 327) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029499 k( 328) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029499 k( 329) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029499 k( 330) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029499 k( 331) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029499 k( 332) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029499 k( 333) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029499 k( 334) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029499 k( 335) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029499 k( 336) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029499 k( 337) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029499 k( 338) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029499 k( 339) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 Dense grid: 66027 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 19747 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 136, 44) NL pseudopotentials 0.11 Mb ( 68, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1835) G-vector shells 0.00 Mb ( 481) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.37 Mb ( 136, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ScNiBi.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.7 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.4 secs Computing kpt #: 11 total cpu time spent up to now is 7.8 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.7 secs Computing kpt #: 14 total cpu time spent up to now is 9.1 secs Computing kpt #: 15 total cpu time spent up to now is 9.6 secs Computing kpt #: 16 total cpu time spent up to now is 10.0 secs Computing kpt #: 17 total cpu time spent up to now is 10.4 secs Computing kpt #: 18 total cpu time spent up to now is 10.9 secs Computing kpt #: 19 total cpu time spent up to now is 11.3 secs Computing kpt #: 20 total cpu time spent up to now is 11.7 secs Computing kpt #: 21 total cpu time spent up to now is 12.2 secs Computing kpt #: 22 total cpu time spent up to now is 12.7 secs Computing kpt #: 23 total cpu time spent up to now is 13.1 secs Computing kpt #: 24 total cpu time spent up to now is 13.6 secs Computing kpt #: 25 total cpu time spent up to now is 14.0 secs Computing kpt #: 26 total cpu time spent up to now is 14.5 secs Computing kpt #: 27 total cpu time spent up to now is 14.9 secs Computing kpt #: 28 total cpu time spent up to now is 15.3 secs Computing kpt #: 29 total cpu time spent up to now is 15.8 secs Computing kpt #: 30 total cpu time spent up to now is 16.2 secs Computing kpt #: 31 total cpu time spent up to now is 16.7 secs Computing kpt #: 32 total cpu time spent up to now is 17.2 secs Computing kpt #: 33 total cpu time spent up to now is 17.6 secs Computing kpt #: 34 total cpu time spent up to now is 18.1 secs Computing kpt #: 35 total cpu time spent up to now is 18.6 secs Computing kpt #: 36 total cpu time spent up to now is 19.0 secs Computing kpt #: 37 total cpu time spent up to now is 19.4 secs Computing kpt #: 38 total cpu time spent up to now is 19.9 secs Computing kpt #: 39 total cpu time spent up to now is 20.3 secs Computing kpt #: 40 total cpu time spent up to now is 20.8 secs Computing kpt #: 41 total cpu time spent up to now is 21.3 secs Computing kpt #: 42 total cpu time spent up to now is 21.8 secs Computing kpt #: 43 total cpu time spent up to now is 22.3 secs Computing kpt #: 44 total cpu time spent up to now is 22.8 secs Computing kpt #: 45 total cpu time spent up to now is 23.2 secs Computing kpt #: 46 total cpu time spent up to now is 23.8 secs Computing kpt #: 47 total cpu time spent up to now is 24.2 secs Computing kpt #: 48 total cpu time spent up to now is 24.8 secs Computing kpt #: 49 total cpu time spent up to now is 25.2 secs Computing kpt #: 50 total cpu time spent up to now is 25.8 secs Computing kpt #: 51 total cpu time spent up to now is 26.2 secs Computing kpt #: 52 total cpu time spent up to now is 26.8 secs Computing kpt #: 53 total cpu time spent up to now is 27.3 secs Computing kpt #: 54 total cpu time spent up to now is 27.8 secs Computing kpt #: 55 total cpu time spent up to now is 28.4 secs Computing kpt #: 56 total cpu time spent up to now is 28.9 secs Computing kpt #: 57 total cpu time spent up to now is 29.4 secs Computing kpt #: 58 total cpu time spent up to now is 29.8 secs Computing kpt #: 59 total cpu time spent up to now is 30.3 secs Computing kpt #: 60 total cpu time spent up to now is 30.7 secs Computing kpt #: 61 total cpu time spent up to now is 31.2 secs Computing kpt #: 62 total cpu time spent up to now is 31.6 secs Computing kpt #: 63 total cpu time spent up to now is 32.1 secs Computing kpt #: 64 total cpu time spent up to now is 32.6 secs Computing kpt #: 65 total cpu time spent up to now is 33.0 secs Computing kpt #: 66 total cpu time spent up to now is 33.6 secs Computing kpt #: 67 total cpu time spent up to now is 34.0 secs Computing kpt #: 68 total cpu time spent up to now is 34.4 secs Computing kpt #: 69 total cpu time spent up to now is 34.9 secs Computing kpt #: 70 total cpu time spent up to now is 35.4 secs Computing kpt #: 71 total cpu time spent up to now is 35.9 secs Computing kpt #: 72 total cpu time spent up to now is 36.4 secs Computing kpt #: 73 total cpu time spent up to now is 36.8 secs Computing kpt #: 74 total cpu time spent up to now is 37.4 secs Computing kpt #: 75 total cpu time spent up to now is 37.8 secs Computing kpt #: 76 total cpu time spent up to now is 38.3 secs Computing kpt #: 77 total cpu time spent up to now is 38.8 secs Computing kpt #: 78 total cpu time spent up to now is 39.3 secs Computing kpt #: 79 total cpu time spent up to now is 39.8 secs Computing kpt #: 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48.6 secs Computing kpt #: 96 total cpu time spent up to now is 49.4 secs Computing kpt #: 97 total cpu time spent up to now is 50.0 secs Computing kpt #: 98 total cpu time spent up to now is 50.8 secs Computing kpt #: 99 total cpu time spent up to now is 51.5 secs Computing kpt #: 100 total cpu time spent up to now is 52.2 secs Computing kpt #: 101 total cpu time spent up to now is 52.8 secs Computing kpt #: 102 total cpu time spent up to now is 53.2 secs Computing kpt #: 103 total cpu time spent up to now is 53.7 secs Computing kpt #: 104 total cpu time spent up to now is 54.2 secs Computing kpt #: 105 total cpu time spent up to now is 54.6 secs Computing kpt #: 106 total cpu time spent up to now is 55.1 secs Computing kpt #: 107 total cpu time spent up to now is 55.5 secs Computing kpt #: 108 total cpu time spent up to now is 56.0 secs Computing kpt #: 109 total cpu time spent up to now is 56.4 secs Computing kpt #: 110 total cpu time spent up to now is 56.9 secs Computing kpt #: 111 total cpu time spent up to now is 57.3 secs Computing kpt #: 112 total cpu time spent up to now is 57.8 secs Computing kpt #: 113 total cpu time spent up to now is 58.2 secs Computing kpt #: 114 total cpu time spent up to now is 58.6 secs Computing kpt #: 115 total cpu time spent up to now is 59.1 secs Computing kpt #: 116 total cpu time spent up to now is 59.6 secs Computing kpt #: 117 total cpu time spent up to now is 60.0 secs Computing kpt #: 118 total cpu time spent up to now is 60.5 secs Computing kpt #: 119 total cpu time spent up to now is 61.0 secs Computing kpt #: 120 total cpu time spent up to now is 61.4 secs Computing kpt #: 121 total cpu time spent up to now is 61.8 secs Computing kpt #: 122 total cpu time spent up to now is 62.2 secs Computing kpt #: 123 total cpu time spent up to now is 62.7 secs Computing kpt #: 124 total cpu time spent up to now is 63.2 secs Computing kpt #: 125 total cpu time spent up to now is 63.6 secs Computing kpt #: 126 total cpu time spent up to now is 64.0 secs Computing kpt #: 127 total cpu time spent up to now is 64.5 secs Computing kpt #: 128 total cpu time spent up to now is 64.9 secs Computing kpt #: 129 total cpu time spent up to now is 65.4 secs Computing kpt #: 130 total cpu time spent up to now is 65.8 secs Computing kpt #: 131 total cpu time spent up to now is 66.2 secs Computing kpt #: 132 total cpu time spent up to now is 66.6 secs Computing kpt #: 133 total cpu time spent up to now is 67.1 secs Computing kpt #: 134 total cpu time spent up to now is 67.5 secs Computing kpt #: 135 total cpu time spent up to now is 67.9 secs Computing kpt #: 136 total cpu time spent up to now is 68.4 secs Computing kpt #: 137 total cpu time spent up to now is 68.8 secs Computing kpt #: 138 total cpu time spent up to now is 69.3 secs Computing kpt #: 139 total cpu time spent up to now is 69.7 secs Computing kpt #: 140 total cpu time spent up to now is 70.1 secs Computing kpt #: 141 total cpu time spent up to now is 70.5 secs Computing kpt #: 142 total cpu time spent up to now is 71.0 secs Computing kpt #: 143 total cpu time spent up to now is 71.7 secs Computing kpt #: 144 total cpu time spent up to now is 72.1 secs Computing kpt #: 145 total cpu time spent up to now is 72.6 secs Computing kpt #: 146 total cpu time spent up to now is 73.0 secs Computing kpt #: 147 total cpu time spent up to now is 73.4 secs Computing kpt #: 148 total cpu time spent up to now is 73.9 secs Computing kpt #: 149 total cpu time spent up to now is 74.3 secs Computing kpt #: 150 total cpu time spent up to now is 74.7 secs Computing kpt #: 151 total cpu time spent up to now is 75.1 secs Computing kpt #: 152 total cpu time spent up to now is 75.6 secs Computing kpt #: 153 total cpu time spent up to now is 76.0 secs Computing kpt #: 154 total cpu time spent up to now is 76.4 secs Computing kpt #: 155 total cpu time spent up to now is 76.9 secs Computing kpt #: 156 total cpu time spent up to now is 77.3 secs Computing kpt #: 157 total cpu time spent up to now is 77.8 secs Computing kpt #: 158 total cpu time spent up to now is 78.2 secs Computing kpt #: 159 total cpu time spent up to now is 78.6 secs Computing kpt #: 160 total cpu time spent up to now is 79.1 secs Computing kpt #: 161 total cpu time spent up to now is 79.6 secs Computing kpt #: 162 total cpu time spent up to now is 80.0 secs Computing kpt #: 163 total cpu time spent up to now is 80.4 secs Computing kpt #: 164 total cpu time spent up to now is 80.9 secs Computing kpt #: 165 total cpu time spent up to now is 81.3 secs Computing kpt #: 166 total cpu time spent up to now is 81.8 secs Computing kpt #: 167 total cpu time spent up to now is 82.2 secs Computing kpt #: 168 total cpu time spent up to now is 82.6 secs Computing kpt #: 169 total cpu time spent up to now is 83.0 secs Computing kpt #: 170 total cpu time spent up to now is 83.5 secs Computing kpt #: 171 total cpu time spent up to now is 83.9 secs Computing kpt #: 172 total cpu time spent up to now is 84.4 secs Computing kpt #: 173 total cpu time spent up to now is 84.8 secs Computing kpt #: 174 total cpu time spent up to now is 85.3 secs Computing kpt #: 175 total cpu time spent up to now is 85.8 secs Computing kpt #: 176 total cpu time spent up to now is 86.2 secs Computing kpt #: 177 total cpu time spent up to now is 86.7 secs Computing kpt #: 178 total cpu time spent up to now is 87.2 secs Computing kpt #: 179 total cpu time spent up to now is 87.6 secs Computing kpt #: 180 total cpu time spent up to now is 88.2 secs Computing kpt #: 181 total cpu time spent up to now is 88.6 secs Computing kpt #: 182 total cpu time spent up to now is 89.2 secs Computing kpt #: 183 total cpu time spent up to now is 89.6 secs Computing kpt #: 184 total cpu time spent up to now is 90.1 secs Computing kpt #: 185 total cpu time spent up to now is 90.6 secs Computing kpt #: 186 total cpu time spent up to now is 91.1 secs Computing kpt #: 187 total cpu time spent up to now is 91.5 secs Computing kpt #: 188 total cpu time spent up to now is 92.0 secs Computing kpt #: 189 total cpu time spent up to now is 92.4 secs Computing kpt #: 190 total cpu time spent up to now is 92.8 secs Computing kpt #: 191 total cpu time spent up to now is 93.3 secs Computing kpt #: 192 total cpu time spent up to now is 93.7 secs Computing kpt #: 193 total cpu time spent up to now is 94.2 secs Computing kpt #: 194 total cpu time spent up to now is 94.6 secs Computing kpt #: 195 total cpu time spent up to now is 95.0 secs Computing kpt #: 196 total cpu time spent up to now is 95.5 secs Computing kpt #: 197 total cpu time spent up to now is 95.9 secs Computing kpt #: 198 total cpu time spent up to now is 96.3 secs Computing kpt #: 199 total cpu time spent up to now is 96.7 secs Computing kpt #: 200 total cpu time spent up to now is 97.1 secs Computing kpt #: 201 total cpu time spent up to now is 97.6 secs Computing kpt #: 202 total cpu time spent up to now is 98.0 secs Computing kpt #: 203 total cpu time spent up to now is 98.4 secs Computing kpt #: 204 total cpu time spent up to now is 98.9 secs Computing kpt #: 205 total cpu time spent up to now is 99.4 secs Computing kpt #: 206 total cpu time spent up to now is 99.9 secs Computing kpt #: 207 total cpu time spent up to now is 100.4 secs Computing kpt #: 208 total cpu time spent up to now is 100.8 secs Computing kpt #: 209 total cpu time spent up to now is 101.3 secs Computing kpt #: 210 total cpu time spent up to now is 101.7 secs Computing kpt #: 211 total cpu time spent up to now is 102.2 secs Computing kpt #: 212 total cpu time spent up to now is 102.6 secs Computing kpt #: 213 total cpu time spent up to now is 103.1 secs Computing kpt #: 214 total cpu time spent up to now is 103.6 secs Computing kpt #: 215 total cpu time spent up to now is 104.0 secs Computing kpt #: 216 total cpu time spent up to now is 104.5 secs Computing kpt #: 217 total cpu time spent up to now is 105.0 secs Computing kpt #: 218 total cpu time spent up to now is 105.4 secs Computing kpt #: 219 total cpu time spent up to now is 105.9 secs Computing kpt #: 220 total cpu time spent up to now is 106.4 secs Computing kpt #: 221 total cpu time spent up to now is 106.8 secs Computing kpt #: 222 total cpu time spent up to now is 107.3 secs Computing kpt #: 223 total cpu time spent up to now is 107.7 secs Computing kpt #: 224 total cpu time spent up to now is 108.2 secs Computing kpt #: 225 total cpu time spent up to now is 108.7 secs Computing kpt #: 226 total cpu time spent up to now is 109.3 secs Computing kpt #: 227 total cpu time spent up to now is 109.8 secs Computing kpt #: 228 total cpu time spent up to now is 110.4 secs Computing kpt #: 229 total cpu time spent up to now is 111.1 secs Computing kpt #: 230 total cpu time spent up to now is 111.5 secs Computing kpt #: 231 total cpu time spent up to now is 112.1 secs Computing kpt #: 232 total cpu time spent up to now is 112.8 secs Computing kpt #: 233 total cpu time spent up to now is 113.5 secs Computing kpt #: 234 total cpu time spent up to now is 114.2 secs Computing kpt #: 235 total cpu time spent up to now is 114.8 secs Computing kpt #: 236 total cpu time spent up to now is 115.5 secs Computing kpt #: 237 total cpu time spent up to now is 116.2 secs Computing kpt #: 238 total cpu time spent up to now is 116.9 secs Computing kpt #: 239 total cpu time spent up to now is 117.6 secs Computing kpt #: 240 total cpu time spent up to now is 118.1 secs Computing kpt #: 241 total cpu time spent up to now is 118.6 secs Computing kpt #: 242 total cpu time spent up to now is 119.0 secs Computing kpt #: 243 total cpu time spent up to now is 119.5 secs Computing kpt #: 244 total cpu time spent up to now is 120.0 secs Computing kpt #: 245 total cpu time spent up to now is 120.4 secs Computing kpt #: 246 total cpu time spent up to now is 120.9 secs Computing kpt #: 247 total cpu time spent up to now is 121.4 secs Computing kpt #: 248 total cpu time spent up to now is 121.8 secs Computing kpt #: 249 total cpu time spent up to now is 122.3 secs Computing kpt #: 250 total cpu time spent up to now is 122.8 secs Computing kpt #: 251 total cpu time spent up to now is 123.3 secs Computing kpt #: 252 total cpu time spent up to now is 123.8 secs Computing kpt #: 253 total cpu time spent up to now is 124.3 secs Computing kpt #: 254 total cpu time spent up to now is 124.7 secs Computing kpt #: 255 total cpu time spent up to now is 125.2 secs Computing kpt #: 256 total cpu time spent up to now is 125.7 secs Computing kpt #: 257 total cpu time spent up to now is 126.2 secs Computing kpt #: 258 total cpu time spent up to now is 126.7 secs Computing kpt #: 259 total cpu time spent up to now is 127.2 secs Computing kpt #: 260 total cpu time spent up to now is 127.6 secs Computing kpt #: 261 total cpu time spent up to now is 128.1 secs Computing kpt #: 262 total cpu time spent up to now is 128.6 secs Computing kpt #: 263 total cpu time spent up to now is 129.1 secs Computing kpt #: 264 total cpu time spent up to now is 129.6 secs Computing kpt #: 265 total cpu time spent up to now is 130.3 secs Computing kpt #: 266 total cpu time spent up to now is 130.9 secs Computing kpt #: 267 total cpu time spent up to now is 131.4 secs Computing kpt #: 268 total cpu time spent up to now is 131.9 secs Computing kpt #: 269 total cpu time spent up to now is 132.4 secs Computing kpt #: 270 total cpu time spent up to now is 132.9 secs Computing kpt #: 271 total cpu time spent up to now is 133.4 secs Computing kpt #: 272 total cpu time spent up to now is 133.8 secs Computing kpt #: 273 total cpu time spent up to now is 134.3 secs Computing kpt #: 274 total cpu time spent up to now is 134.8 secs Computing kpt #: 275 total cpu time spent up to now is 135.3 secs Computing kpt #: 276 total cpu time spent up to now is 135.8 secs Computing kpt #: 277 total cpu time spent up to now is 136.2 secs Computing kpt #: 278 total cpu time spent up to now is 136.7 secs Computing kpt #: 279 total cpu time spent up to now is 137.2 secs Computing kpt #: 280 total cpu time spent up to now is 137.6 secs Computing kpt #: 281 total cpu time spent up to now is 138.1 secs Computing kpt #: 282 total cpu time spent up to now is 138.6 secs Computing kpt #: 283 total cpu time spent up to now is 139.0 secs Computing kpt #: 284 total cpu time spent up to now is 139.5 secs Computing kpt #: 285 total cpu time spent up to now is 139.9 secs Computing kpt #: 286 total cpu time spent up to now is 140.4 secs Computing kpt #: 287 total cpu time spent up to now is 140.8 secs Computing kpt #: 288 total cpu time spent up to now is 141.2 secs Computing kpt #: 289 total cpu time spent up to now is 141.6 secs Computing kpt #: 290 total cpu time spent up to now is 142.0 secs Computing kpt #: 291 total cpu time spent up to now is 142.4 secs Computing kpt #: 292 total cpu time spent up to now is 142.8 secs Computing kpt #: 293 total cpu time spent up to now is 143.2 secs Computing kpt #: 294 total cpu time spent up to now is 143.7 secs Computing kpt #: 295 total cpu time spent up to now is 144.2 secs Computing kpt #: 296 total cpu time spent up to now is 144.7 secs Computing kpt #: 297 total cpu time spent up to now is 145.2 secs Computing kpt #: 298 total cpu time spent up to now is 145.6 secs Computing kpt #: 299 total cpu time spent up to now is 146.1 secs Computing kpt #: 300 total cpu time spent up to now is 146.6 secs Computing kpt #: 301 total cpu time spent up to now is 147.1 secs Computing kpt #: 302 total cpu time spent up to now is 147.6 secs Computing kpt #: 303 total cpu time spent up to now is 148.0 secs Computing kpt #: 304 total cpu time spent up to now is 148.5 secs Computing kpt #: 305 total cpu time spent up to now is 148.9 secs Computing kpt #: 306 total cpu time spent up to now is 149.4 secs Computing kpt #: 307 total cpu time spent up to now is 149.8 secs Computing kpt #: 308 total cpu time spent up to now is 150.3 secs Computing kpt #: 309 total cpu time spent up to now is 150.8 secs Computing kpt #: 310 total cpu time spent up to now is 151.2 secs Computing kpt #: 311 total cpu time spent up to now is 151.7 secs Computing kpt #: 312 total cpu time spent up to now is 152.1 secs Computing kpt #: 313 total cpu time spent up to now is 152.6 secs Computing kpt #: 314 total cpu time spent up to now is 153.1 secs Computing kpt #: 315 total cpu time spent up to now is 153.5 secs Computing kpt #: 316 total cpu time spent up to now is 154.1 secs Computing kpt #: 317 total cpu time spent up to now is 154.8 secs Computing kpt #: 318 total cpu time spent up to now is 155.5 secs Computing kpt #: 319 total cpu time spent up to now is 156.2 secs Computing kpt #: 320 total cpu time spent up to now is 156.8 secs Computing kpt #: 321 total cpu time spent up to now is 157.6 secs Computing kpt #: 322 total cpu time spent up to now is 158.3 secs Computing kpt #: 323 total cpu time spent up to now is 159.0 secs Computing kpt #: 324 total cpu time spent up to now is 159.7 secs Computing kpt #: 325 total cpu time spent up to now is 160.2 secs Computing kpt #: 326 total cpu time spent up to now is 160.6 secs Computing kpt #: 327 total cpu time spent up to now is 161.1 secs Computing kpt #: 328 total cpu time spent up to now is 161.5 secs Computing kpt #: 329 total cpu time spent up to now is 162.0 secs Computing kpt #: 330 total cpu time spent up to now is 162.4 secs Computing kpt #: 331 total cpu time spent up to now is 162.9 secs Computing kpt #: 332 total cpu time spent up to now is 163.4 secs Computing kpt #: 333 total cpu time spent up to now is 163.8 secs Computing kpt #: 334 total cpu time spent up to now is 164.5 secs Computing kpt #: 335 total cpu time spent up to now is 165.0 secs Computing kpt #: 336 total cpu time spent up to now is 165.5 secs Computing kpt #: 337 total cpu time spent up to now is 166.0 secs Computing kpt #: 338 total cpu time spent up to now is 166.5 secs Computing kpt #: 339 total cpu time spent up to now is 167.0 secs ethr = 2.78E-08, avg # of iterations = 18.2 total cpu time spent up to now is 167.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -36.7327 -36.7327 -15.7259 -15.7259 -15.2210 -15.2210 -15.2210 -15.2210 -11.1757 -11.1757 -11.1757 -11.1757 -8.2173 -8.2173 -8.2173 -8.2173 -8.2093 -8.2093 0.6762 0.6762 9.5712 9.5712 10.2293 10.2293 10.2293 10.2293 10.8442 10.8442 10.8442 10.8442 12.7562 12.7562 13.0562 13.0562 13.0562 13.0562 13.9020 13.9020 14.3070 14.3070 14.7529 14.7529 14.7529 14.7529 k = 0.0098-0.0057 0.0080 ( 2445 PWs) bands (ev): -36.7327 -36.7327 -15.7259 -15.7259 -15.2210 -15.2210 -15.2210 -15.2210 -11.1757 -11.1757 -11.1756 -11.1756 -8.2173 -8.2173 -8.2172 -8.2172 -8.2093 -8.2093 0.6773 0.6773 9.5696 9.5696 10.2256 10.2256 10.2311 10.2311 10.8414 10.8414 10.8478 10.8478 12.7492 12.7492 13.0509 13.0509 13.0536 13.0536 13.9028 13.9028 14.3056 14.3056 14.7428 14.7428 14.7559 14.7559 k = 0.0196-0.0113 0.0160 ( 2441 PWs) bands (ev): -36.7327 -36.7327 -15.7259 -15.7259 -15.2211 -15.2211 -15.2210 -15.2210 -11.1757 -11.1757 -11.1755 -11.1755 -8.2172 -8.2172 -8.2171 -8.2171 -8.2093 -8.2093 0.6808 0.6808 9.5646 9.5646 10.2186 10.2186 10.2323 10.2323 10.8395 10.8395 10.8521 10.8521 12.7290 12.7290 13.0355 13.0355 13.0455 13.0455 13.9039 13.9039 14.3029 14.3029 14.7257 14.7257 14.7565 14.7565 k = 0.0294-0.0170 0.0240 ( 2441 PWs) bands (ev): -36.7327 -36.7327 -15.7260 -15.7260 -15.2213 -15.2213 -15.2211 -15.2211 -11.1756 -11.1756 -11.1754 -11.1754 -8.2172 -8.2172 -8.2169 -8.2169 -8.2092 -8.2092 0.6865 0.6865 9.5562 9.5562 10.2080 10.2080 10.2335 10.2335 10.8384 10.8384 10.8570 10.8570 12.6970 12.6970 13.0102 13.0102 13.0317 13.0317 13.9024 13.9024 14.3035 14.3035 14.7078 14.7078 14.7562 14.7562 k = 0.0392-0.0226 0.0320 ( 2441 PWs) bands (ev): -36.7327 -36.7327 -15.7261 -15.7261 -15.2215 -15.2215 -15.2211 -15.2211 -11.1756 -11.1756 -11.1752 -11.1752 -8.2171 -8.2171 -8.2166 -8.2166 -8.2091 -8.2091 0.6944 0.6944 9.5441 9.5441 10.1940 10.1940 10.2350 10.2350 10.8381 10.8381 10.8624 10.8624 12.6553 12.6553 12.9754 12.9754 13.0124 13.0124 13.8947 13.8947 14.3130 14.3130 14.6939 14.6939 14.7557 14.7557 k = 0.0490-0.0283 0.0400 ( 2449 PWs) bands (ev): -36.7327 -36.7327 -15.7263 -15.7263 -15.2218 -15.2218 -15.2212 -15.2212 -11.1756 -11.1756 -11.1750 -11.1750 -8.2171 -8.2171 -8.2165 -8.2165 -8.2090 -8.2090 0.7046 0.7046 9.5280 9.5280 10.1772 10.1772 10.2368 10.2368 10.8384 10.8384 10.8680 10.8680 12.6061 12.6061 12.9322 12.9322 12.9877 12.9877 13.8793 13.8793 14.3347 14.3347 14.6854 14.6854 14.7549 14.7549 k = 0.0588-0.0340 0.0480 ( 2449 PWs) bands (ev): -36.7327 -36.7327 -15.7264 -15.7264 -15.2222 -15.2222 -15.2213 -15.2213 -11.1755 -11.1755 -11.1748 -11.1748 -8.2169 -8.2169 -8.2161 -8.2161 -8.2088 -8.2088 0.7170 0.7170 9.5075 9.5075 10.1582 10.1582 10.2390 10.2390 10.8395 10.8395 10.8738 10.8738 12.5512 12.5512 12.8816 12.8816 12.9580 12.9580 13.8569 13.8569 14.3686 14.3686 14.6826 14.6826 14.7540 14.7540 k = 0.0686-0.0396 0.0560 ( 2457 PWs) bands (ev): -36.7326 -36.7326 -15.7267 -15.7267 -15.2226 -15.2226 -15.2214 -15.2214 -11.1755 -11.1755 -11.1746 -11.1746 -8.2169 -8.2169 -8.2158 -8.2158 -8.2087 -8.2087 0.7316 0.7316 9.4825 9.4825 10.1377 10.1377 10.2416 10.2416 10.8412 10.8412 10.8796 10.8796 12.4924 12.4924 12.8251 12.8251 12.9240 12.9240 13.8298 13.8298 14.4122 14.4122 14.6852 14.6852 14.7529 14.7529 k = 0.0784-0.0453 0.0640 ( 2457 PWs) bands (ev): -36.7326 -36.7326 -15.7269 -15.7269 -15.2231 -15.2231 -15.2215 -15.2215 -11.1754 -11.1754 -11.1742 -11.1742 -8.2168 -8.2168 -8.2153 -8.2153 -8.2085 -8.2085 0.7483 0.7483 9.4524 9.4524 10.1167 10.1167 10.2446 10.2446 10.8435 10.8435 10.8853 10.8853 12.4309 12.4309 12.7640 12.7640 12.8862 12.8862 13.8003 13.8003 14.4621 14.4621 14.6929 14.6929 14.7520 14.7520 k = 0.0882-0.0509 0.0720 ( 2481 PWs) bands (ev): -36.7326 -36.7326 -15.7272 -15.7272 -15.2237 -15.2237 -15.2217 -15.2217 -11.1755 -11.1755 -11.1740 -11.1740 -8.2168 -8.2168 -8.2149 -8.2149 -8.2084 -8.2084 0.7671 0.7671 9.4171 9.4171 10.0957 10.0957 10.2479 10.2479 10.8461 10.8461 10.8906 10.8906 12.3678 12.3678 12.6997 12.6997 12.8451 12.8451 13.7697 13.7697 14.5141 14.5141 14.7064 14.7064 14.7516 14.7516 k = 0.0980-0.0566 0.0800 ( 2481 PWs) bands (ev): -36.7326 -36.7326 -15.7275 -15.7275 -15.2242 -15.2242 -15.2218 -15.2218 -11.1754 -11.1754 -11.1735 -11.1735 -8.2167 -8.2167 -8.2144 -8.2144 -8.2081 -8.2081 0.7879 0.7879 9.3765 9.3765 10.0754 10.0754 10.2517 10.2517 10.8492 10.8492 10.8957 10.8957 12.3042 12.3042 12.6335 12.6335 12.8015 12.8015 13.7393 13.7393 14.5638 14.5638 14.7249 14.7249 14.7544 14.7544 k = 0.1078-0.0623 0.0881 ( 2489 PWs) bands (ev): -36.7325 -36.7325 -15.7279 -15.7279 -15.2248 -15.2248 -15.2220 -15.2220 -11.1754 -11.1754 -11.1731 -11.1731 -8.2166 -8.2166 -8.2139 -8.2139 -8.2078 -8.2078 0.8107 0.8107 9.3306 9.3306 10.0563 10.0563 10.2559 10.2559 10.8526 10.8526 10.9002 10.9002 12.2407 12.2407 12.5663 12.5663 12.7558 12.7558 13.7094 13.7094 14.6065 14.6065 14.7372 14.7372 14.7745 14.7745 k = 0.1176-0.0679 0.0961 ( 2485 PWs) bands (ev): -36.7325 -36.7325 -15.7282 -15.7282 -15.2254 -15.2254 -15.2222 -15.2222 -11.1753 -11.1753 -11.1726 -11.1726 -8.2165 -8.2165 -8.2132 -8.2132 -8.2074 -8.2074 0.8354 0.8354 9.2795 9.2795 10.0386 10.0386 10.2605 10.2605 10.8561 10.8561 10.9045 10.9045 12.1778 12.1778 12.4990 12.4990 12.7086 12.7086 13.6803 13.6803 14.6403 14.6403 14.7385 14.7385 14.8169 14.8169 k = 0.1275-0.0736 0.1041 ( 2481 PWs) bands (ev): -36.7324 -36.7324 -15.7285 -15.7285 -15.2260 -15.2260 -15.2224 -15.2224 -11.1752 -11.1752 -11.1721 -11.1721 -8.2164 -8.2164 -8.2125 -8.2125 -8.2069 -8.2069 0.8619 0.8619 9.2237 9.2237 10.0226 10.0226 10.2656 10.2656 10.8596 10.8596 10.9082 10.9082 12.1160 12.1160 12.4323 12.4323 12.6603 12.6603 13.6522 13.6522 14.6669 14.6669 14.7373 14.7373 14.8704 14.8704 k = 0.1373-0.0792 0.1121 ( 2473 PWs) bands (ev): -36.7324 -36.7324 -15.7288 -15.7288 -15.2266 -15.2266 -15.2225 -15.2225 -11.1752 -11.1752 -11.1714 -11.1714 -8.2164 -8.2164 -8.2118 -8.2118 -8.2064 -8.2064 0.8901 0.8901 9.1636 9.1636 10.0083 10.0083 10.2711 10.2711 10.8629 10.8629 10.9118 10.9118 12.0556 12.0556 12.3666 12.3666 12.6112 12.6112 13.6249 13.6249 14.6893 14.6893 14.7355 14.7355 14.9289 14.9289 k = 0.1471-0.0849 0.1201 ( 2473 PWs) bands (ev): -36.7324 -36.7324 -15.7292 -15.7292 -15.2273 -15.2273 -15.2227 -15.2227 -11.1751 -11.1751 -11.1709 -11.1709 -8.2163 -8.2163 -8.2112 -8.2112 -8.2059 -8.2059 0.9200 0.9200 9.0999 9.0999 9.9956 9.9956 10.2769 10.2769 10.8656 10.8656 10.9151 10.9151 11.9967 11.9967 12.3022 12.3022 12.5616 12.5616 13.5986 13.5986 14.7093 14.7093 14.7337 14.7337 14.9888 14.9888 k = 0.1569-0.0906 0.1281 ( 2481 PWs) bands (ev): -36.7323 -36.7323 -15.7296 -15.7296 -15.2280 -15.2280 -15.2230 -15.2230 -11.1750 -11.1750 -11.1705 -11.1705 -8.2162 -8.2162 -8.2107 -8.2107 -8.2054 -8.2054 0.9514 0.9514 9.0331 9.0331 9.9844 9.9844 10.2832 10.2832 10.8675 10.8675 10.9186 10.9186 11.9396 11.9396 12.2394 12.2394 12.5119 12.5119 13.5733 13.5733 14.7241 14.7241 14.7363 14.7363 15.0480 15.0480 k = 0.1667-0.0962 0.1361 ( 2473 PWs) bands (ev): -36.7323 -36.7323 -15.7299 -15.7299 -15.2287 -15.2287 -15.2232 -15.2232 -11.1748 -11.1748 -11.1699 -11.1699 -8.2161 -8.2161 -8.2100 -8.2100 -8.2047 -8.2047 0.9842 0.9842 8.9640 8.9640 9.9747 9.9747 10.2899 10.2899 10.8684 10.8684 10.9225 10.9225 11.8843 11.8843 12.1784 12.1784 12.4623 12.4623 13.5489 13.5489 14.7249 14.7249 14.7527 14.7527 15.1050 15.1050 k = 0.1765-0.1019 0.1441 ( 2473 PWs) bands (ev): -36.7322 -36.7322 -15.7303 -15.7303 -15.2294 -15.2294 -15.2234 -15.2234 -11.1747 -11.1747 -11.1694 -11.1694 -8.2161 -8.2161 -8.2094 -8.2094 -8.2041 -8.2041 1.0184 1.0184 8.8931 8.8931 9.9662 9.9662 10.2970 10.2970 10.8678 10.8678 10.9268 10.9268 11.8308 11.8308 12.1194 12.1194 12.4130 12.4130 13.5255 13.5255 14.7224 14.7224 14.7727 14.7727 15.1589 15.1589 k = 0.1863-0.1075 0.1521 ( 2473 PWs) bands (ev): -36.7322 -36.7322 -15.7307 -15.7307 -15.2301 -15.2301 -15.2236 -15.2236 -11.1746 -11.1746 -11.1689 -11.1689 -8.2160 -8.2160 -8.2088 -8.2088 -8.2035 -8.2035 1.0538 1.0538 8.8211 8.8211 9.9588 9.9588 10.3045 10.3045 10.8657 10.8657 10.9319 10.9319 11.7793 11.7793 12.0623 12.0623 12.3642 12.3642 13.5030 13.5030 14.7193 14.7193 14.7937 14.7937 15.2089 15.2089 k = 0.1961-0.1132 0.1601 ( 2481 PWs) bands (ev): -36.7321 -36.7321 -15.7311 -15.7311 -15.2308 -15.2308 -15.2239 -15.2239 -11.1746 -11.1746 -11.1684 -11.1684 -8.2161 -8.2161 -8.2083 -8.2083 -8.2029 -8.2029 1.0902 1.0902 8.7486 8.7486 9.9524 9.9524 10.3124 10.3124 10.8619 10.8619 10.9375 10.9375 11.7294 11.7294 12.0072 12.0072 12.3162 12.3162 13.4816 13.4816 14.7158 14.7158 14.8153 14.8153 15.2545 15.2545 k = 0.2059-0.1189 0.1681 ( 2477 PWs) bands (ev): -36.7321 -36.7321 -15.7315 -15.7315 -15.2314 -15.2314 -15.2241 -15.2241 -11.1744 -11.1744 -11.1680 -11.1680 -8.2160 -8.2160 -8.2078 -8.2078 -8.2021 -8.2021 1.1276 1.1276 8.6762 8.6762 9.9468 9.9468 10.3207 10.3207 10.8567 10.8567 10.9438 10.9438 11.6814 11.6814 11.9542 11.9542 12.2690 12.2690 13.4611 13.4611 14.7124 14.7124 14.8377 14.8377 15.2951 15.2951 k = 0.2157-0.1245 0.1761 ( 2485 PWs) bands (ev): -36.7320 -36.7320 -15.7319 -15.7319 -15.2321 -15.2321 -15.2244 -15.2244 -11.1744 -11.1744 -11.1676 -11.1676 -8.2161 -8.2161 -8.2074 -8.2074 -8.2015 -8.2015 1.1659 1.1659 8.6042 8.6042 9.9420 9.9420 10.3294 10.3294 10.8498 10.8498 10.9506 10.9506 11.6351 11.6351 11.9033 11.9033 12.2226 12.2226 13.4415 13.4415 14.7088 14.7088 14.8608 14.8608 15.3306 15.3306 k = 0.2255-0.1302 0.1841 ( 2477 PWs) bands (ev): -36.7320 -36.7320 -15.7322 -15.7322 -15.2327 -15.2327 -15.2246 -15.2246 -11.1742 -11.1742 -11.1671 -11.1671 -8.2160 -8.2160 -8.2069 -8.2069 -8.2007 -8.2007 1.2048 1.2048 8.5333 8.5333 9.9379 9.9379 10.3385 10.3385 10.8417 10.8417 10.9578 10.9578 11.5904 11.5904 11.8545 11.8545 12.1774 12.1774 13.4231 13.4231 14.7050 14.7050 14.8845 14.8845 15.3609 15.3609 k = 0.2353-0.1358 0.1921 ( 2477 PWs) bands (ev): -36.7319 -36.7319 -15.7326 -15.7326 -15.2333 -15.2333 -15.2249 -15.2249 -11.1741 -11.1741 -11.1667 -11.1667 -8.2160 -8.2160 -8.2066 -8.2066 -8.2000 -8.2000 1.2442 1.2442 8.4637 8.4637 9.9344 9.9344 10.3479 10.3479 10.8323 10.8323 10.9652 10.9652 11.5471 11.5471 11.8077 11.8077 12.1333 12.1333 13.4056 13.4056 14.7012 14.7012 14.9087 14.9087 15.3857 15.3857 k = 0.2451-0.1415 0.2001 ( 2477 PWs) bands (ev): -36.7319 -36.7319 -15.7330 -15.7330 -15.2339 -15.2339 -15.2251 -15.2251 -11.1740 -11.1740 -11.1664 -11.1664 -8.2160 -8.2160 -8.2063 -8.2063 -8.1993 -8.1993 1.2841 1.2841 8.3959 8.3959 9.9314 9.9314 10.3577 10.3577 10.8218 10.8218 10.9727 10.9727 11.5054 11.5054 11.7630 11.7630 12.0903 12.0903 13.3891 13.3891 14.6973 14.6973 14.9335 14.9335 15.4053 15.4053 k = 0.2549-0.1472 0.2081 ( 2477 PWs) bands (ev): -36.7318 -36.7318 -15.7333 -15.7333 -15.2344 -15.2344 -15.2254 -15.2254 -11.1739 -11.1739 -11.1661 -11.1661 -8.2160 -8.2160 -8.2060 -8.2060 -8.1986 -8.1986 1.3241 1.3241 8.3303 8.3303 9.9289 9.9289 10.3678 10.3678 10.8101 10.8101 10.9804 10.9804 11.4650 11.4650 11.7202 11.7202 12.0486 12.0486 13.3737 13.3737 14.6934 14.6934 14.9587 14.9587 15.4198 15.4198 k = 0.2647-0.1528 0.2161 ( 2469 PWs) bands (ev): -36.7318 -36.7318 -15.7336 -15.7336 -15.2349 -15.2349 -15.2256 -15.2256 -11.1737 -11.1737 -11.1658 -11.1658 -8.2159 -8.2159 -8.2056 -8.2056 -8.1979 -8.1979 1.3642 1.3642 8.2670 8.2670 9.9269 9.9269 10.3783 10.3783 10.7977 10.7977 10.9879 10.9879 11.4258 11.4258 11.6794 11.6794 12.0083 12.0083 13.3592 13.3592 14.6895 14.6895 14.9841 14.9841 15.4295 15.4295 k = 0.2745-0.1585 0.2241 ( 2461 PWs) bands (ev): -36.7317 -36.7317 -15.7339 -15.7339 -15.2354 -15.2354 -15.2258 -15.2258 -11.1736 -11.1736 -11.1655 -11.1655 -8.2159 -8.2159 -8.2054 -8.2054 -8.1971 -8.1971 1.4042 1.4042 8.2063 8.2063 9.9253 9.9253 10.3890 10.3890 10.7843 10.7843 10.9954 10.9954 11.3880 11.3880 11.6405 11.6405 11.9695 11.9695 13.3457 13.3457 14.6855 14.6855 15.0097 15.0097 15.4347 15.4347 k = 0.2843-0.1641 0.2321 ( 2453 PWs) bands (ev): -36.7317 -36.7317 -15.7342 -15.7342 -15.2358 -15.2358 -15.2260 -15.2260 -11.1734 -11.1734 -11.1653 -11.1653 -8.2158 -8.2158 -8.2053 -8.2053 -8.1964 -8.1964 1.4439 1.4439 8.1484 8.1484 9.9241 9.9241 10.4000 10.4000 10.7703 10.7703 11.0026 11.0026 11.3513 11.3513 11.6035 11.6035 11.9320 11.9320 13.3331 13.3331 14.6815 14.6815 15.0354 15.0354 15.4359 15.4359 k = 0.2941-0.1698 0.2401 ( 2461 PWs) bands (ev): -36.7316 -36.7316 -15.7345 -15.7345 -15.2362 -15.2362 -15.2263 -15.2263 -11.1733 -11.1733 -11.1652 -11.1652 -8.2159 -8.2159 -8.2053 -8.2053 -8.1958 -8.1958 1.4832 1.4832 8.0935 8.0935 9.9231 9.9231 10.4111 10.4111 10.7557 10.7557 11.0093 11.0093 11.3158 11.3158 11.5682 11.5682 11.8960 11.8960 13.3213 13.3213 14.6776 14.6776 15.0608 15.0608 15.4333 15.4333 k = 0.3039-0.1755 0.2482 ( 2461 PWs) bands (ev): -36.7316 -36.7316 -15.7348 -15.7348 -15.2366 -15.2366 -15.2265 -15.2265 -11.1732 -11.1732 -11.1651 -11.1651 -8.2159 -8.2159 -8.2053 -8.2053 -8.1951 -8.1951 1.5218 1.5218 8.0418 8.0418 9.9225 9.9225 10.4225 10.4225 10.7408 10.7408 11.0153 11.0153 11.2817 11.2817 11.5346 11.5346 11.8615 11.8615 13.3105 13.3105 14.6736 14.6736 15.0859 15.0859 15.4276 15.4276 k = 0.3137-0.1811 0.2562 ( 2457 PWs) bands (ev): -36.7316 -36.7316 -15.7350 -15.7350 -15.2370 -15.2370 -15.2267 -15.2267 -11.1731 -11.1731 -11.1650 -11.1650 -8.2159 -8.2159 -8.2053 -8.2053 -8.1944 -8.1944 1.5597 1.5597 7.9932 7.9932 9.9222 9.9222 10.4340 10.4340 10.7257 10.7257 11.0203 11.0203 11.2491 11.2491 11.5028 11.5028 11.8286 11.8286 13.3005 13.3005 14.6698 14.6698 15.1103 15.1103 15.4192 15.4192 k = 0.3235-0.1868 0.2642 ( 2465 PWs) bands (ev): -36.7315 -36.7315 -15.7353 -15.7353 -15.2373 -15.2373 -15.2270 -15.2270 -11.1731 -11.1731 -11.1650 -11.1650 -8.2159 -8.2159 -8.2054 -8.2054 -8.1938 -8.1938 1.5967 1.5967 7.9480 7.9480 9.9222 9.9222 10.4455 10.4455 10.7105 10.7105 11.0237 11.0237 11.2185 11.2185 11.4726 11.4726 11.7973 11.7973 13.2914 13.2914 14.6659 14.6659 15.1338 15.1338 15.4085 15.4085 k = 0.3333-0.1925 0.2722 ( 2465 PWs) bands (ev): -36.7315 -36.7315 -15.7355 -15.7355 -15.2376 -15.2376 -15.2272 -15.2272 -11.1730 -11.1730 -11.1650 -11.1650 -8.2159 -8.2159 -8.2056 -8.2056 -8.1932 -8.1932 1.6327 1.6327 7.9060 7.9060 9.9224 9.9224 10.4570 10.4570 10.6955 10.6955 11.0249 11.0249 11.1907 11.1907 11.4440 11.4440 11.7676 11.7676 13.2830 13.2830 14.6622 14.6622 15.1559 15.1559 15.3960 15.3960 k = 0.3431-0.1981 0.2802 ( 2461 PWs) bands (ev): -36.7314 -36.7314 -15.7357 -15.7357 -15.2378 -15.2378 -15.2274 -15.2274 -11.1729 -11.1729 -11.1650 -11.1650 -8.2160 -8.2160 -8.2057 -8.2057 -8.1926 -8.1926 1.6673 1.6673 7.8674 7.8674 9.9229 9.9229 10.4685 10.4685 10.6808 10.6808 11.0225 11.0225 11.1668 11.1668 11.4169 11.4169 11.7395 11.7395 13.2754 13.2754 14.6585 14.6585 15.1763 15.1763 15.3823 15.3823 k = 0.3529-0.2038 0.2882 ( 2462 PWs) bands (ev): -36.7314 -36.7314 -15.7359 -15.7359 -15.2380 -15.2380 -15.2276 -15.2276 -11.1728 -11.1728 -11.1650 -11.1650 -8.2160 -8.2160 -8.2059 -8.2059 -8.1920 -8.1920 1.7007 1.7007 7.8321 7.8321 9.9236 9.9236 10.4797 10.4797 10.6667 10.6667 11.0152 11.0152 11.1483 11.1483 11.3912 11.3912 11.7131 11.7131 13.2684 13.2684 14.6550 14.6550 15.1942 15.1942 15.3677 15.3677 k = 0.3627-0.2094 0.2962 ( 2470 PWs) bands (ev): -36.7314 -36.7314 -15.7361 -15.7361 -15.2382 -15.2382 -15.2278 -15.2278 -11.1727 -11.1727 -11.1652 -11.1652 -8.2160 -8.2160 -8.2062 -8.2062 -8.1916 -8.1916 1.7324 1.7324 7.8000 7.8000 9.9244 9.9244 10.4905 10.4905 10.6532 10.6532 11.0020 11.0020 11.1359 11.1359 11.3670 11.3670 11.6884 11.6884 13.2621 13.2621 14.6517 14.6517 15.2090 15.2090 15.3527 15.3527 k = 0.3725-0.2151 0.3042 ( 2462 PWs) bands (ev): -36.7313 -36.7313 -15.7362 -15.7362 -15.2384 -15.2384 -15.2279 -15.2279 -11.1726 -11.1726 -11.1652 -11.1652 -8.2160 -8.2160 -8.2064 -8.2064 -8.1910 -8.1910 1.7626 1.7626 7.7711 7.7711 9.9255 9.9255 10.5009 10.5009 10.6407 10.6407 10.9838 10.9838 11.1293 11.1293 11.3443 11.3443 11.6654 11.6654 13.2565 13.2565 14.6485 14.6485 15.2198 15.2198 15.3376 15.3376 k = 0.3824-0.2208 0.3122 ( 2450 PWs) bands (ev): -36.7313 -36.7313 -15.7363 -15.7363 -15.2385 -15.2385 -15.2280 -15.2280 -11.1724 -11.1724 -11.1652 -11.1652 -8.2159 -8.2159 -8.2066 -8.2066 -8.1904 -8.1904 1.7910 1.7910 7.7453 7.7453 9.9268 9.9268 10.5105 10.5105 10.6294 10.6294 10.9620 10.9620 11.1269 11.1269 11.3230 11.3230 11.6441 11.6441 13.2515 13.2515 14.6454 14.6454 15.2256 15.2256 15.3227 15.3227 k = 0.3922-0.2264 0.3202 ( 2450 PWs) bands (ev): -36.7313 -36.7313 -15.7364 -15.7364 -15.2386 -15.2386 -15.2282 -15.2282 -11.1724 -11.1724 -11.1653 -11.1653 -8.2159 -8.2159 -8.2068 -8.2068 -8.1899 -8.1899 1.8175 1.8175 7.7224 7.7224 9.9282 9.9282 10.5190 10.5190 10.6196 10.6196 10.9384 10.9384 11.1270 11.1270 11.3029 11.3029 11.6246 11.6246 13.2470 13.2470 14.6425 14.6425 15.2258 15.2258 15.3077 15.3077 k = 0.4020-0.2321 0.3282 ( 2450 PWs) bands (ev): -36.7312 -36.7312 -15.7365 -15.7365 -15.2387 -15.2387 -15.2283 -15.2283 -11.1723 -11.1723 -11.1655 -11.1655 -8.2159 -8.2159 -8.2071 -8.2071 -8.1895 -8.1895 1.8420 1.8420 7.7023 7.7023 9.9296 9.9296 10.5260 10.5260 10.6118 10.6118 10.9144 10.9144 11.1286 11.1286 11.2842 11.2842 11.6067 11.6067 13.2431 13.2431 14.6398 14.6398 15.2203 15.2203 15.2922 15.2922 k = 0.4118-0.2377 0.3362 ( 2450 PWs) bands (ev): -36.7312 -36.7312 -15.7366 -15.7366 -15.2388 -15.2388 -15.2285 -15.2285 -11.1722 -11.1722 -11.1656 -11.1656 -8.2159 -8.2159 -8.2074 -8.2074 -8.1891 -8.1891 1.8645 1.8645 7.6848 7.6848 9.9312 9.9312 10.5311 10.5311 10.6062 10.6062 10.8908 10.8908 11.1310 11.1310 11.2669 11.2669 11.5906 11.5906 13.2396 13.2396 14.6374 14.6374 15.2095 15.2095 15.2762 15.2762 k = 0.4216-0.2434 0.3442 ( 2458 PWs) bands (ev): -36.7312 -36.7312 -15.7367 -15.7367 -15.2389 -15.2389 -15.2286 -15.2286 -11.1722 -11.1722 -11.1658 -11.1658 -8.2159 -8.2159 -8.2077 -8.2077 -8.1888 -8.1888 1.8848 1.8848 7.6698 7.6698 9.9327 9.9327 10.5340 10.5340 10.6031 10.6031 10.8683 10.8683 11.1339 11.1339 11.2510 11.2510 11.5763 11.5763 13.2366 13.2366 14.6351 14.6351 15.1942 15.1942 15.2603 15.2603 k = 0.4314-0.2491 0.3522 ( 2466 PWs) bands (ev): -36.7312 -36.7312 -15.7368 -15.7368 -15.2390 -15.2390 -15.2287 -15.2287 -11.1722 -11.1722 -11.1660 -11.1660 -8.2159 -8.2159 -8.2080 -8.2080 -8.1886 -8.1886 1.9028 1.9028 7.6570 7.6570 9.9342 9.9342 10.5347 10.5347 10.6024 10.6024 10.8475 10.8475 11.1369 11.1369 11.2365 11.2365 11.5636 11.5636 13.2340 13.2340 14.6331 14.6331 15.1756 15.1756 15.2455 15.2455 k = 0.4412-0.2547 0.3602 ( 2466 PWs) bands (ev): -36.7311 -36.7311 -15.7369 -15.7369 -15.2390 -15.2390 -15.2288 -15.2288 -11.1721 -11.1721 -11.1661 -11.1661 -8.2159 -8.2159 -8.2082 -8.2082 -8.1883 -8.1883 1.9186 1.9186 7.6464 7.6464 9.9357 9.9357 10.5338 10.5338 10.6034 10.6034 10.8287 10.8287 11.1399 11.1399 11.2234 11.2234 11.5527 11.5527 13.2318 13.2318 14.6314 14.6314 15.1551 15.1551 15.2328 15.2328 k = 0.4510-0.2604 0.3682 ( 2466 PWs) bands (ev): -36.7311 -36.7311 -15.7369 -15.7369 -15.2390 -15.2390 -15.2289 -15.2289 -11.1721 -11.1721 -11.1662 -11.1662 -8.2159 -8.2159 -8.2084 -8.2084 -8.1881 -8.1881 1.9321 1.9321 7.6377 7.6377 9.9370 9.9370 10.5321 10.5321 10.6053 10.6053 10.8123 10.8123 11.1429 11.1429 11.2119 11.2119 11.5435 11.5435 13.2301 13.2301 14.6299 14.6299 15.1347 15.1347 15.2224 15.2224 k = 0.4608-0.2660 0.3762 ( 2466 PWs) bands (ev): -36.7311 -36.7311 -15.7370 -15.7370 -15.2390 -15.2390 -15.2289 -15.2289 -11.1721 -11.1721 -11.1663 -11.1663 -8.2159 -8.2159 -8.2086 -8.2086 -8.1879 -8.1879 1.9431 1.9431 7.6309 7.6309 9.9382 9.9382 10.5302 10.5302 10.6075 10.6075 10.7987 10.7987 11.1458 11.1458 11.2019 11.2019 11.5360 11.5360 13.2286 13.2286 14.6286 14.6286 15.1160 15.1160 15.2142 15.2142 k = 0.4706-0.2717 0.3842 ( 2466 PWs) bands (ev): -36.7311 -36.7311 -15.7370 -15.7370 -15.2391 -15.2391 -15.2290 -15.2290 -11.1720 -11.1720 -11.1664 -11.1664 -8.2159 -8.2159 -8.2087 -8.2087 -8.1878 -8.1878 1.9518 1.9518 7.6257 7.6257 9.9391 9.9391 10.5284 10.5284 10.6093 10.6093 10.7880 10.7880 11.1485 11.1485 11.1937 11.1937 11.5302 11.5302 13.2276 13.2276 14.6276 14.6276 15.1004 15.1004 15.2083 15.2083 k = 0.4804-0.2774 0.3922 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7370 -15.7370 -15.2390 -15.2390 -15.2290 -15.2290 -11.1720 -11.1720 -11.1663 -11.1663 -8.2159 -8.2159 -8.2087 -8.2087 -8.1876 -8.1876 1.9580 1.9580 7.6221 7.6221 9.9399 9.9399 10.5270 10.5270 10.6107 10.6107 10.7803 10.7803 11.1509 11.1509 11.1873 11.1873 11.5261 11.5261 13.2268 13.2268 14.6269 14.6269 15.0888 15.0888 15.2047 15.2047 k = 0.4902-0.2830 0.4002 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7370 -15.7370 -15.2390 -15.2390 -15.2290 -15.2290 -11.1720 -11.1720 -11.1663 -11.1663 -8.2159 -8.2159 -8.2087 -8.2087 -8.1876 -8.1876 1.9617 1.9617 7.6199 7.6199 9.9403 9.9403 10.5262 10.5262 10.6115 10.6115 10.7757 10.7757 11.1527 11.1527 11.1831 11.1831 11.5236 11.5236 13.2264 13.2264 14.6265 14.6265 15.0816 15.0816 15.2032 15.2032 k = 0.5000-0.2887 0.4082 ( 2450 PWs) bands (ev): -36.7311 -36.7311 -15.7370 -15.7370 -15.2390 -15.2390 -15.2290 -15.2290 -11.1719 -11.1719 -11.1663 -11.1663 -8.2159 -8.2159 -8.2087 -8.2087 -8.1875 -8.1875 1.9630 1.9630 7.6192 7.6192 9.9405 9.9405 10.5260 10.5260 10.6118 10.6118 10.7742 10.7742 11.1533 11.1533 11.1816 11.1816 11.5228 11.5228 13.2263 13.2263 14.6264 14.6264 15.0792 15.0792 15.2031 15.2031 k = 0.5000-0.2887 0.4082 ( 2450 PWs) bands (ev): -36.7311 -36.7311 -15.7370 -15.7370 -15.2390 -15.2390 -15.2290 -15.2290 -11.1719 -11.1719 -11.1663 -11.1663 -8.2159 -8.2159 -8.2087 -8.2087 -8.1875 -8.1875 1.9630 1.9630 7.6192 7.6192 9.9405 9.9405 10.5260 10.5260 10.6118 10.6118 10.7742 10.7742 11.1533 11.1533 11.1816 11.1816 11.5228 11.5228 13.2263 13.2263 14.6264 14.6264 15.0792 15.0792 15.2031 15.2031 k = 0.5000-0.2776 0.4161 ( 2454 PWs) bands (ev): -36.7311 -36.7311 -15.7370 -15.7370 -15.2390 -15.2390 -15.2290 -15.2290 -11.1720 -11.1719 -11.1663 -11.1663 -8.2159 -8.2159 -8.2087 -8.2086 -8.1876 -8.1875 1.9631 1.9634 7.6144 7.6258 9.9301 9.9389 10.5060 10.5257 10.6213 10.6229 10.7718 10.7778 11.1471 11.1580 11.1817 11.1827 11.5220 11.5227 13.2213 13.2363 14.6283 14.6288 15.0837 15.0845 15.2015 15.2043 k = 0.5000-0.2665 0.4240 ( 2454 PWs) bands (ev): -36.7311 -36.7311 -15.7371 -15.7370 -15.2391 -15.2389 -15.2291 -15.2291 -11.1720 -11.1719 -11.1664 -11.1662 -8.2158 -8.2158 -8.2087 -8.2086 -8.1877 -8.1875 1.9639 1.9644 7.6111 7.6341 9.9077 9.9264 10.4779 10.5083 10.6399 10.6496 10.7714 10.7823 11.1402 11.1598 11.1839 11.1847 11.5206 11.5219 13.2215 13.2515 14.6343 14.6354 15.0972 15.0997 15.1979 15.2045 k = 0.5000-0.2554 0.4318 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7372 -15.7370 -15.2391 -15.2389 -15.2292 -15.2292 -11.1719 -11.1718 -11.1664 -11.1663 -8.2157 -8.2157 -8.2088 -8.2086 -8.1878 -8.1875 1.9652 1.9659 7.6095 7.6442 9.8740 9.9044 10.4482 10.4835 10.6609 10.6790 10.7746 10.7879 11.1329 11.1586 11.1846 11.1903 11.5191 11.5207 13.2269 13.2717 14.6436 14.6452 15.1175 15.1235 15.1925 15.2031 k = 0.5000-0.2443 0.4397 ( 2464 PWs) bands (ev): -36.7311 -36.7311 -15.7373 -15.7370 -15.2392 -15.2388 -15.2294 -15.2293 -11.1719 -11.1717 -11.1665 -11.1663 -8.2156 -8.2155 -8.2088 -8.2085 -8.1879 -8.1875 1.9670 1.9680 7.6095 7.6560 9.8303 9.8745 10.4182 10.4546 10.6816 10.7030 10.7845 10.7945 11.1254 11.1558 11.1846 11.1972 11.5184 11.5197 13.2376 13.2967 14.6552 14.6573 15.1392 15.1506 15.1854 15.2001 k = 0.5000-0.2332 0.4475 ( 2464 PWs) bands (ev): -36.7311 -36.7311 -15.7374 -15.7370 -15.2392 -15.2388 -15.2295 -15.2295 -11.1718 -11.1715 -11.1665 -11.1662 -8.2153 -8.2152 -8.2088 -8.2084 -8.1880 -8.1876 1.9694 1.9706 7.6110 7.6697 9.7785 9.8383 10.3879 10.4224 10.7007 10.7173 10.8024 10.8030 11.1175 11.1522 11.1837 11.2040 11.5197 11.5197 13.2535 13.3266 14.6679 14.6708 15.1556 15.1699 15.1769 15.1956 k = 0.5000-0.2221 0.4554 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7374 -15.7370 -15.2392 -15.2387 -15.2297 -15.2296 -11.1716 -11.1713 -11.1665 -11.1662 -8.2150 -8.2149 -8.2087 -8.2083 -8.1882 -8.1876 1.9722 1.9738 7.6139 7.6852 9.7203 9.7973 10.3564 10.3872 10.7172 10.7237 10.8120 10.8270 11.1091 11.1481 11.1819 11.2099 11.5211 11.5239 13.2747 13.3610 14.6810 14.6847 15.1645 15.1660 15.1790 15.1898 k = 0.5000-0.2110 0.4632 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7375 -15.7370 -15.2392 -15.2387 -15.2299 -15.2298 -11.1714 -11.1710 -11.1665 -11.1662 -8.2147 -8.2145 -8.2086 -8.2082 -8.1883 -8.1877 1.9755 1.9773 7.6182 7.7024 9.6574 9.7527 10.3234 10.3492 10.7261 10.7306 10.8231 10.8521 11.1003 11.1439 11.1795 11.2141 11.5243 11.5317 13.3011 13.3998 14.6940 14.6985 15.1538 15.1681 15.1824 15.1833 k = 0.5000-0.1999 0.4711 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7376 -15.7371 -15.2392 -15.2386 -15.2301 -15.2301 -11.1712 -11.1707 -11.1665 -11.1661 -8.2144 -8.2141 -8.2085 -8.2080 -8.1885 -8.1878 1.9792 1.9812 7.6239 7.7216 9.5909 9.7058 10.2884 10.3085 10.7267 10.7410 10.8354 10.8758 11.0910 11.1395 11.1766 11.2162 11.5294 11.5435 13.3328 13.4427 14.7065 14.7121 15.1398 15.1660 15.1783 15.1838 k = 0.5000-0.1887 0.4789 ( 2456 PWs) bands (ev): -36.7311 -36.7311 -15.7377 -15.7371 -15.2392 -15.2385 -15.2304 -15.2303 -11.1709 -11.1704 -11.1665 -11.1661 -8.2140 -8.2137 -8.2082 -8.2078 -8.1887 -8.1879 1.9833 1.9855 7.6307 7.7425 9.5222 9.6573 10.2515 10.2655 10.7265 10.7489 10.8483 10.8971 11.0814 11.1351 11.1737 11.2164 11.5363 11.5590 13.3696 13.4894 14.7186 14.7252 15.1237 15.1575 15.1767 15.1843 k = 0.5000-0.1776 0.4868 ( 2456 PWs) bands (ev): -36.7311 -36.7311 -15.7378 -15.7371 -15.2392 -15.2384 -15.2307 -15.2306 -11.1707 -11.1702 -11.1665 -11.1660 -8.2137 -8.2133 -8.2080 -8.2076 -8.1889 -8.1880 1.9876 1.9901 7.6386 7.7653 9.4519 9.6081 10.2128 10.2205 10.7260 10.7548 10.8613 10.9158 11.0717 11.1307 11.1707 11.2147 11.5448 11.5773 13.4114 13.5396 14.7303 14.7380 15.1056 15.1454 15.1760 15.1843 k = 0.5000-0.1665 0.4946 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7380 -15.7372 -15.2391 -15.2383 -15.2310 -15.2309 -11.1705 -11.1699 -11.1665 -11.1660 -8.2134 -8.2128 -8.2078 -8.2075 -8.1892 -8.1882 1.9922 1.9949 7.6475 7.7899 9.3809 9.5588 10.1726 10.1742 10.7253 10.7592 10.8736 10.9321 11.0622 11.1262 11.1678 11.2117 11.5543 11.5976 13.4580 13.5930 14.7417 14.7504 15.0853 15.1310 15.1752 15.1838 k = 0.5000-0.1554 0.5025 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7381 -15.7373 -15.2391 -15.2382 -15.2314 -15.2312 -11.1702 -11.1696 -11.1665 -11.1660 -8.2131 -8.2124 -8.2074 -8.2072 -8.1894 -8.1884 1.9969 1.9998 7.6572 7.8164 9.3095 9.5102 10.1272 10.1314 10.7246 10.7625 10.8851 10.9464 11.0531 11.1217 11.1652 11.2079 11.5647 11.6189 13.5091 13.6492 14.7528 14.7627 15.0627 15.1146 15.1740 15.1831 k = 0.5000-0.1443 0.5103 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7382 -15.7373 -15.2391 -15.2381 -15.2317 -15.2316 -11.1699 -11.1693 -11.1665 -11.1659 -8.2129 -8.2120 -8.2070 -8.2069 -8.1897 -8.1886 2.0018 2.0049 7.6676 7.8446 9.2384 9.4626 10.0800 10.0898 10.7239 10.7651 10.8957 10.9589 11.0445 11.1172 11.1629 11.2036 11.5755 11.6403 13.5643 13.7077 14.7637 14.7747 15.0377 15.0961 15.1724 15.1821 k = 0.5000-0.1332 0.5182 ( 2462 PWs) bands (ev): -36.7311 -36.7311 -15.7383 -15.7374 -15.2390 -15.2380 -15.2320 -15.2319 -11.1697 -11.1690 -11.1665 -11.1659 -8.2127 -8.2116 -8.2065 -8.2065 -8.1901 -8.1888 2.0066 2.0099 7.6786 7.8746 9.1678 9.4166 10.0334 10.0483 10.7231 10.7671 10.9051 10.9699 11.0367 11.1127 11.1608 11.1992 11.5863 11.6612 13.6232 13.7680 14.7744 14.7867 15.0101 15.0757 15.1705 15.1809 k = 0.5000-0.1221 0.5260 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7384 -15.7375 -15.2389 -15.2379 -15.2324 -15.2323 -11.1694 -11.1687 -11.1665 -11.1658 -8.2125 -8.2113 -8.2061 -8.2059 -8.1903 -8.1890 2.0115 2.0149 7.6899 7.9064 9.0981 9.3726 9.9879 10.0076 10.7225 10.7687 10.9135 10.9798 11.0296 11.1082 11.1589 11.1948 11.5969 11.6810 13.6854 13.8297 14.7849 14.7984 14.9800 15.0532 15.1683 15.1794 k = 0.5000-0.1110 0.5339 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7385 -15.7375 -15.2388 -15.2378 -15.2328 -15.2326 -11.1692 -11.1685 -11.1665 -11.1657 -8.2124 -8.2110 -8.2056 -8.2053 -8.1907 -8.1893 2.0161 2.0198 7.7014 7.9398 9.0296 9.3310 9.9441 9.9682 10.7219 10.7699 10.9209 10.9887 11.0233 11.1037 11.1573 11.1907 11.6071 11.6994 13.7503 13.8923 14.7952 14.8098 14.9471 15.0287 15.1657 15.1778 k = 0.5000-0.0999 0.5417 ( 2450 PWs) bands (ev): -36.7311 -36.7311 -15.7386 -15.7376 -15.2387 -15.2376 -15.2331 -15.2329 -11.1689 -11.1682 -11.1663 -11.1656 -8.2122 -8.2107 -8.2051 -8.2047 -8.1909 -8.1895 2.0206 2.0244 7.7128 7.9749 8.9624 9.2922 9.9026 9.9308 10.7213 10.7708 10.9273 10.9968 11.0178 11.0991 11.1560 11.1870 11.6166 11.7162 13.8174 13.9551 14.8051 14.8210 14.9115 15.0022 15.1628 15.1759 k = 0.5000-0.0888 0.5496 ( 2454 PWs) bands (ev): -36.7311 -36.7311 -15.7387 -15.7376 -15.2386 -15.2375 -15.2335 -15.2333 -11.1688 -11.1680 -11.1663 -11.1655 -8.2121 -8.2105 -8.2046 -8.2041 -8.1913 -8.1898 2.0249 2.0288 7.7240 8.0115 8.8968 9.2564 9.8639 9.8959 10.7208 10.7716 10.9328 11.0043 11.0130 11.0945 11.1547 11.1835 11.6254 11.7311 13.8860 14.0176 14.8144 14.8318 14.8731 14.9739 15.1596 15.1738 k = 0.5000-0.0777 0.5574 ( 2466 PWs) bands (ev): -36.7311 -36.7311 -15.7388 -15.7377 -15.2385 -15.2373 -15.2338 -15.2337 -11.1687 -11.1679 -11.1663 -11.1655 -8.2121 -8.2104 -8.2042 -8.2036 -8.1918 -8.1901 2.0288 2.0328 7.7346 8.0496 8.8330 9.2239 9.8285 9.8639 10.7203 10.7721 10.9375 11.0089 11.0113 11.0898 11.1536 11.1805 11.6332 11.7442 13.9556 14.0790 14.8210 14.8340 14.8419 14.9439 15.1562 15.1717 k = 0.5000-0.0666 0.5653 ( 2462 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2384 -15.2371 -15.2341 -15.2340 -11.1685 -11.1677 -11.1662 -11.1654 -8.2121 -8.2103 -8.2037 -8.2030 -8.1921 -8.1903 2.0323 2.0365 7.7445 8.0888 8.7713 9.1952 9.7970 9.8353 10.7200 10.7725 10.9414 11.0056 11.0179 11.0850 11.1528 11.1779 11.6402 11.7555 14.0256 14.1386 14.7861 14.8330 14.8513 14.9128 15.1528 15.1695 k = 0.5000-0.0555 0.5731 ( 2462 PWs) bands (ev): -36.7311 -36.7310 -15.7390 -15.7378 -15.2383 -15.2370 -15.2345 -15.2343 -11.1684 -11.1675 -11.1662 -11.1654 -8.2120 -8.2101 -8.2032 -8.2024 -8.1924 -8.1906 2.0354 2.0397 7.7533 8.1289 8.7122 9.1704 9.7695 9.8104 10.7196 10.7729 10.9446 11.0029 11.0241 11.0803 11.1520 11.1757 11.6461 11.7650 14.0954 14.1954 14.7395 14.8402 14.8591 14.8816 15.1494 15.1673 k = 0.5000-0.0444 0.5810 ( 2470 PWs) bands (ev): -36.7311 -36.7310 -15.7391 -15.7379 -15.2381 -15.2368 -15.2348 -15.2347 -11.1684 -11.1675 -11.1662 -11.1654 -8.2120 -8.2101 -8.2029 -8.2019 -8.1928 -8.1909 2.0380 2.0423 7.7609 8.1692 8.6563 9.1497 9.7466 9.7896 10.7193 10.7731 10.9471 11.0007 11.0300 11.0755 11.1514 11.1739 11.6509 11.7727 14.1640 14.2478 14.6901 14.8465 14.8473 14.8692 15.1463 15.1652 k = 0.5000-0.0333 0.5888 ( 2478 PWs) bands (ev): -36.7311 -36.7310 -15.7391 -15.7379 -15.2380 -15.2366 -15.2350 -15.2350 -11.1683 -11.1674 -11.1662 -11.1654 -8.2121 -8.2101 -8.2026 -8.2016 -8.1931 -8.1911 2.0400 2.0445 7.7671 8.2085 8.6047 9.1334 9.7284 9.7732 10.7190 10.7732 10.9490 10.9990 11.0356 11.0707 11.1509 11.1725 11.6547 11.7786 14.2306 14.2940 14.6390 14.8183 14.8517 14.8745 15.1436 15.1635 k = 0.5000-0.0222 0.5967 ( 2474 PWs) bands (ev): -36.7311 -36.7310 -15.7391 -15.7379 -15.2379 -15.2364 -15.2353 -15.2352 -11.1682 -11.1673 -11.1662 -11.1653 -8.2120 -8.2100 -8.2023 -8.2012 -8.1933 -8.1912 2.0415 2.0460 7.7716 8.2445 8.5600 9.1216 9.7153 9.7613 10.7189 10.7733 10.9503 10.9979 11.0408 11.0661 11.1506 11.1716 11.6575 11.7828 14.2930 14.3314 14.5878 14.7931 14.8556 14.8789 15.1414 15.1621 k = 0.5000-0.0111 0.6045 ( 2472 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7379 -15.2378 -15.2361 -15.2356 -15.2353 -11.1682 -11.1673 -11.1662 -11.1653 -8.2120 -8.2100 -8.2022 -8.2010 -8.1934 -8.1913 2.0425 2.0469 7.7744 8.2722 8.5272 9.1145 9.7074 9.7541 10.7188 10.7734 10.9511 10.9973 11.0451 11.0621 11.1504 11.1710 11.6591 11.7853 14.3459 14.3563 14.5419 14.7755 14.8580 14.8817 15.1401 15.1612 k = 0.5000-0.0000 0.6124 ( 2468 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7379 -15.2378 -15.2359 -15.2358 -15.2353 -11.1682 -11.1673 -11.1661 -11.1652 -8.2120 -8.2099 -8.2021 -8.2009 -8.1935 -8.1913 2.0428 2.0473 7.7754 8.2831 8.5145 9.1122 9.7047 9.7517 10.7188 10.7734 10.9514 10.9971 11.0471 11.0603 11.1504 11.1709 11.6597 11.7862 14.3651 14.3706 14.5195 14.7692 14.8589 14.8827 15.1396 15.1609 k = 0.5000-0.0000 0.6124 ( 2468 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7379 -15.2378 -15.2359 -15.2358 -15.2353 -11.1682 -11.1673 -11.1661 -11.1652 -8.2120 -8.2099 -8.2021 -8.2009 -8.1935 -8.1913 2.0428 2.0473 7.7754 8.2831 8.5145 9.1122 9.7047 9.7517 10.7188 10.7734 10.9514 10.9971 11.0471 11.0603 11.1504 11.1709 11.6597 11.7862 14.3651 14.3706 14.5195 14.7692 14.8589 14.8827 15.1396 15.1609 k = 0.4931 0.0120 0.6124 ( 2469 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7379 -15.2378 -15.2360 -15.2357 -15.2353 -11.1682 -11.1673 -11.1661 -11.1652 -8.2120 -8.2099 -8.2021 -8.2009 -8.1935 -8.1913 2.0424 2.0469 7.7743 8.2771 8.5200 9.1127 9.7073 9.7539 10.7190 10.7736 10.9516 10.9974 11.0467 11.0616 11.1504 11.1710 11.6595 11.7858 14.3566 14.3606 14.5318 14.7701 14.8619 14.8840 15.1403 15.1613 k = 0.4861 0.0241 0.6124 ( 2475 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7380 -15.2379 -15.2362 -15.2356 -15.2351 -11.1682 -11.1673 -11.1662 -11.1653 -8.2120 -8.2100 -8.2022 -8.2011 -8.1934 -8.1913 2.0414 2.0459 7.7713 8.2619 8.5335 9.1140 9.7151 9.7605 10.7198 10.7743 10.9526 10.9984 11.0464 11.0644 11.1504 11.1713 11.6590 11.7848 14.3226 14.3469 14.5610 14.7734 14.8711 14.8883 15.1420 15.1623 k = 0.4792 0.0361 0.6124 ( 2477 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7380 -15.2380 -15.2364 -15.2354 -15.2349 -11.1682 -11.1673 -11.1662 -11.1653 -8.2120 -8.2100 -8.2024 -8.2013 -8.1933 -8.1913 2.0400 2.0444 7.7664 8.2416 8.5503 9.1153 9.7283 9.7714 10.7211 10.7753 10.9545 11.0000 11.0475 11.0679 11.1506 11.1718 11.6581 11.7831 14.2791 14.3248 14.5969 14.7794 14.8860 14.8961 15.1445 15.1637 k = 0.4722 0.0481 0.6124 ( 2470 PWs) bands (ev): -36.7311 -36.7311 -15.7391 -15.7379 -15.2382 -15.2366 -15.2352 -15.2347 -11.1682 -11.1673 -11.1662 -11.1653 -8.2118 -8.2099 -8.2025 -8.2014 -8.1932 -8.1912 2.0381 2.0425 7.7600 8.2191 8.5672 9.1161 9.7465 9.7865 10.7228 10.7766 10.9575 11.0021 11.0503 11.0718 11.1509 11.1725 11.6569 11.7805 14.2309 14.2955 14.6348 14.7884 14.9044 14.9086 15.1476 15.1653 k = 0.4653 0.0601 0.6124 ( 2462 PWs) bands (ev): -36.7311 -36.7311 -15.7391 -15.7379 -15.2383 -15.2367 -15.2350 -15.2344 -11.1681 -11.1672 -11.1661 -11.1653 -8.2117 -8.2098 -8.2026 -8.2017 -8.1930 -8.1910 2.0359 2.0403 7.7524 8.1961 8.5826 9.1163 9.7691 9.8053 10.7250 10.7781 10.9618 11.0045 11.0551 11.0757 11.1513 11.1735 11.6554 11.7769 14.1805 14.2606 14.6730 14.8003 14.9210 14.9302 15.1510 15.1671 k = 0.4583 0.0722 0.6124 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7379 -15.2384 -15.2369 -15.2348 -15.2342 -11.1680 -11.1672 -11.1661 -11.1653 -8.2116 -8.2097 -8.2029 -8.2019 -8.1928 -8.1909 2.0335 2.0378 7.7438 8.1737 8.5954 9.1155 9.7955 9.8272 10.7276 10.7798 10.9672 11.0073 11.0621 11.0798 11.1519 11.1747 11.6534 11.7723 14.1290 14.2216 14.7104 14.8147 14.9393 14.9562 15.1548 15.1689 k = 0.4514 0.0842 0.6124 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7379 -15.2386 -15.2370 -15.2347 -15.2340 -11.1680 -11.1672 -11.1662 -11.1654 -8.2115 -8.2096 -8.2031 -8.2023 -8.1926 -8.1908 2.0309 2.0352 7.7347 8.1524 8.6056 9.1138 9.8244 9.8512 10.7306 10.7815 10.9738 11.0105 11.0713 11.0841 11.1527 11.1762 11.6512 11.7664 14.0776 14.1799 14.7466 14.8313 14.9606 14.9844 15.1590 15.1708 k = 0.4444 0.0962 0.6124 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7378 -15.2387 -15.2371 -15.2345 -15.2338 -11.1680 -11.1672 -11.1662 -11.1654 -8.2114 -8.2095 -8.2034 -8.2026 -8.1924 -8.1906 2.0282 2.0325 7.7253 8.1324 8.6132 9.1114 9.8549 9.8765 10.7339 10.7832 10.9811 11.0139 11.0820 11.0891 11.1537 11.1784 11.6486 11.7593 14.0271 14.1369 14.7814 14.8495 14.9841 15.0137 15.1639 15.1732 k = 0.4375 0.1083 0.6124 ( 2465 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7378 -15.2389 -15.2373 -15.2343 -15.2337 -11.1680 -11.1672 -11.1663 -11.1655 -8.2113 -8.2095 -8.2038 -8.2030 -8.1922 -8.1905 2.0256 2.0298 7.7160 8.1141 8.6185 9.1083 9.8857 9.9023 10.7374 10.7849 10.9888 11.0178 11.0898 11.0992 11.1551 11.1812 11.6457 11.7508 13.9784 14.0936 14.8144 14.8689 15.0089 15.0432 15.1702 15.1768 k = 0.4306 0.1203 0.6124 ( 2462 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7378 -15.2390 -15.2374 -15.2342 -15.2335 -11.1680 -11.1672 -11.1663 -11.1655 -8.2111 -8.2094 -8.2041 -8.2033 -8.1920 -8.1904 2.0231 2.0272 7.7069 8.0975 8.6219 9.1049 9.9157 9.9275 10.7410 10.7865 10.9962 11.0224 11.0942 11.1141 11.1572 11.1851 11.6428 11.7409 13.9322 14.0511 14.8455 14.8888 15.0330 15.0713 15.1781 15.1839 k = 0.4236 0.1323 0.6124 ( 2462 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2391 -15.2375 -15.2340 -15.2334 -11.1680 -11.1672 -11.1663 -11.1656 -8.2110 -8.2093 -8.2044 -8.2037 -8.1919 -8.1903 2.0207 2.0248 7.6984 8.0828 8.6238 9.1013 9.9437 9.9517 10.7446 10.7880 11.0024 11.0279 11.0979 11.1294 11.1609 11.1908 11.6398 11.7296 13.8894 14.0104 14.8746 14.9088 15.0540 15.0953 15.1889 15.1975 k = 0.4167 0.1443 0.6124 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2392 -15.2375 -15.2339 -15.2333 -11.1679 -11.1671 -11.1663 -11.1657 -8.2108 -8.2092 -8.2047 -8.2040 -8.1917 -8.1902 2.0185 2.0226 7.6906 8.0699 8.6246 9.0977 9.9687 9.9743 10.7480 10.7893 11.0073 11.0341 11.1013 11.1411 11.1678 11.1992 11.6369 11.7169 13.8507 13.9725 14.9015 14.9282 15.0693 15.1120 15.2060 15.2186 k = 0.4097 0.1564 0.6124 ( 2464 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2393 -15.2376 -15.2338 -15.2332 -11.1679 -11.1671 -11.1664 -11.1658 -8.2107 -8.2091 -8.2050 -8.2043 -8.1916 -8.1901 2.0166 2.0206 7.6837 8.0589 8.6247 9.0944 9.9894 9.9952 10.7511 10.7904 11.0107 11.0405 11.1044 11.1472 11.1775 11.2121 11.6343 11.7032 13.8168 13.9382 14.9260 14.9464 15.0783 15.1207 15.2299 15.2463 k = 0.4028 0.1684 0.6124 ( 2462 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2393 -15.2377 -15.2337 -15.2331 -11.1678 -11.1671 -11.1664 -11.1658 -8.2105 -8.2089 -8.2052 -8.2046 -8.1915 -8.1900 2.0150 2.0190 7.6778 8.0500 8.6244 9.0914 10.0061 10.0136 10.7539 10.7913 11.0132 11.0463 11.1070 11.1500 11.1862 11.2289 11.6325 11.6890 13.7883 13.9085 14.9479 14.9628 15.0820 15.1239 15.2577 15.2785 k = 0.3958 0.1804 0.6124 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2394 -15.2377 -15.2336 -15.2330 -11.1678 -11.1671 -11.1664 -11.1659 -8.2103 -8.2088 -8.2055 -8.2048 -8.1914 -8.1899 2.0137 2.0177 7.6732 8.0429 8.6239 9.0890 10.0191 10.0283 10.7561 10.7920 11.0150 11.0510 11.1092 11.1514 11.1929 11.2469 11.6317 11.6748 13.7656 13.8844 14.9665 14.9768 15.0818 15.1242 15.2857 15.3121 k = 0.3889 0.1925 0.6124 ( 2450 PWs) bands (ev): -36.7311 -36.7311 -15.7388 -15.7377 -15.2394 -15.2377 -15.2335 -15.2329 -11.1677 -11.1670 -11.1663 -11.1658 -8.2101 -8.2087 -8.2055 -8.2049 -8.1913 -8.1898 2.0128 2.0167 7.6698 8.0379 8.6234 9.0872 10.0284 10.0390 10.7578 10.7926 11.0161 11.0545 11.1108 11.1522 11.1979 11.2626 11.6325 11.6615 13.7492 13.8665 14.9809 14.9880 15.0796 15.1234 15.3111 15.3439 k = 0.3819 0.2045 0.6124 ( 2445 PWs) bands (ev): -36.7311 -36.7311 -15.7388 -15.7377 -15.2394 -15.2377 -15.2334 -15.2329 -11.1677 -11.1670 -11.1663 -11.1658 -8.2100 -8.2086 -8.2056 -8.2050 -8.1912 -8.1898 2.0122 2.0161 7.6678 8.0349 8.6230 9.0861 10.0341 10.0455 10.7588 10.7929 11.0168 11.0566 11.1118 11.1527 11.2010 11.2733 11.6354 11.6504 13.7393 13.8555 14.9899 14.9958 15.0771 15.1223 15.3310 15.3701 k = 0.3750 0.2165 0.6124 ( 2440 PWs) bands (ev): -36.7311 -36.7311 -15.7388 -15.7377 -15.2394 -15.2377 -15.2334 -15.2328 -11.1676 -11.1669 -11.1663 -11.1658 -8.2100 -8.2085 -8.2056 -8.2050 -8.1912 -8.1897 2.0120 2.0159 7.6671 8.0339 8.6229 9.0858 10.0360 10.0477 10.7591 10.7930 11.0171 11.0573 11.1121 11.1528 11.2020 11.2770 11.6395 11.6434 13.7360 13.8518 14.9929 14.9988 15.0760 15.1219 15.3398 15.3740 k = 0.3750 0.2165 0.6124 ( 2440 PWs) bands (ev): -36.7311 -36.7311 -15.7388 -15.7377 -15.2394 -15.2377 -15.2334 -15.2328 -11.1676 -11.1669 -11.1663 -11.1658 -8.2100 -8.2085 -8.2056 -8.2050 -8.1912 -8.1897 2.0120 2.0159 7.6671 8.0339 8.6229 9.0858 10.0360 10.0477 10.7591 10.7930 11.0171 11.0573 11.1121 11.1528 11.2020 11.2770 11.6395 11.6434 13.7360 13.8518 14.9929 14.9988 15.0760 15.1219 15.3398 15.3740 k = 0.3681 0.2125 0.6010 ( 2452 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2395 -15.2377 -15.2337 -15.2331 -11.1673 -11.1668 -11.1662 -11.1659 -8.2098 -8.2082 -8.2052 -8.2045 -8.1916 -8.1901 2.0120 2.0160 7.6651 8.0730 8.5431 9.0510 10.0113 10.0206 10.7628 10.7981 11.0154 11.0724 11.1096 11.1542 11.2032 11.2968 11.6584 11.6624 13.7905 13.9061 14.9809 14.9847 15.0663 15.1146 15.3373 15.3696 k = 0.3611 0.2085 0.5897 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7379 -15.2396 -15.2378 -15.2339 -15.2332 -11.1671 -11.1668 -11.1659 -11.1659 -8.2096 -8.2080 -8.2047 -8.2039 -8.1920 -8.1905 2.0107 2.0148 7.6611 8.1117 8.4695 9.0237 9.9875 9.9945 10.7669 10.8035 11.0137 11.0842 11.1064 11.1556 11.2067 11.3163 11.6782 11.6823 13.8475 13.9627 14.9660 14.9682 15.0563 15.1065 15.3304 15.3620 k = 0.3542 0.2045 0.5784 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7391 -15.7380 -15.2396 -15.2378 -15.2340 -15.2334 -11.1668 -11.1668 -11.1658 -11.1655 -8.2095 -8.2078 -8.2041 -8.2032 -8.1924 -8.1908 2.0081 2.0122 7.6554 8.1474 8.4051 9.0041 9.9648 9.9696 10.7713 10.8093 11.0119 11.0929 11.1028 11.1566 11.2131 11.3352 11.6988 11.7031 13.9070 14.0216 14.9489 14.9498 15.0460 15.0976 15.3237 15.3547 k = 0.3472 0.2005 0.5670 ( 2456 PWs) bands (ev): -36.7311 -36.7311 -15.7391 -15.7380 -15.2397 -15.2379 -15.2341 -15.2334 -11.1668 -11.1666 -11.1657 -11.1652 -8.2093 -8.2076 -8.2035 -8.2026 -8.1928 -8.1912 2.0039 2.0081 7.6482 8.1724 8.3580 8.9923 9.9432 9.9460 10.7760 10.8154 11.0102 11.0987 11.0988 11.1568 11.2222 11.3535 11.7202 11.7247 13.9689 14.0828 14.9298 14.9299 15.0355 15.0878 15.3181 15.3480 k = 0.3403 0.1965 0.5557 ( 2452 PWs) bands (ev): -36.7311 -36.7311 -15.7392 -15.7380 -15.2398 -15.2380 -15.2341 -15.2335 -11.1668 -11.1665 -11.1654 -11.1648 -8.2092 -8.2075 -8.2029 -8.2019 -8.1931 -8.1915 1.9981 2.0023 7.6401 8.1713 8.3439 8.9880 9.9228 9.9238 10.7809 10.8218 11.0085 11.0945 11.1022 11.1563 11.2336 11.3709 11.7423 11.7470 14.0331 14.1462 14.9085 14.9095 15.0249 15.0772 15.3142 15.3422 k = 0.3333 0.1925 0.5443 ( 2440 PWs) bands (ev): -36.7311 -36.7311 -15.7392 -15.7380 -15.2399 -15.2381 -15.2340 -15.2334 -11.1668 -11.1664 -11.1651 -11.1643 -8.2090 -8.2073 -8.2021 -8.2012 -8.1935 -8.1919 1.9905 1.9947 7.6317 8.1417 8.3654 8.9910 9.9031 9.9037 10.7861 10.8284 11.0069 11.0898 11.1042 11.1552 11.2463 11.3875 11.7651 11.7701 14.0994 14.2115 14.8859 14.8877 15.0142 15.0658 15.3120 15.3373 k = 0.3264 0.1884 0.5330 ( 2456 PWs) bands (ev): -36.7312 -36.7311 -15.7392 -15.7381 -15.2400 -15.2383 -15.2339 -15.2334 -11.1669 -11.1665 -11.1649 -11.1641 -8.2090 -8.2073 -8.2017 -8.2007 -8.1940 -8.1924 1.9810 1.9851 7.6236 8.1013 8.4051 9.0008 9.8838 9.8860 10.7912 10.8351 11.0055 11.0848 11.1050 11.1535 11.2597 11.4033 11.7885 11.7938 14.1674 14.2786 14.8623 14.8647 15.0036 15.0537 15.3117 15.3335 k = 0.3194 0.1844 0.5217 ( 2464 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7381 -15.2401 -15.2385 -15.2338 -15.2334 -11.1671 -11.1667 -11.1647 -11.1639 -8.2090 -8.2074 -8.2012 -8.2002 -8.1945 -8.1928 1.9694 1.9734 7.6165 8.0605 8.4526 9.0169 9.8662 9.8698 10.7965 10.8419 11.0043 11.0795 11.1050 11.1517 11.2734 11.4182 11.8128 11.8182 14.2370 14.3471 14.8376 14.8407 14.9934 15.0413 15.3133 15.3307 k = 0.3125 0.1804 0.5103 ( 2468 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7381 -15.2402 -15.2386 -15.2336 -15.2333 -11.1672 -11.1668 -11.1645 -11.1636 -8.2090 -8.2074 -8.2006 -8.1997 -8.1950 -8.1933 1.9557 1.9596 7.6112 8.0233 8.5042 9.0386 9.8502 9.8551 10.8019 10.8487 11.0034 11.0740 11.1044 11.1498 11.2870 11.4325 11.8377 11.8433 14.3075 14.4166 14.8120 14.8158 14.9837 15.0286 15.3169 15.3290 k = 0.3056 0.1764 0.4990 ( 2464 PWs) bands (ev): -36.7312 -36.7312 -15.7391 -15.7380 -15.2402 -15.2387 -15.2334 -15.2331 -11.1673 -11.1669 -11.1642 -11.1634 -8.2090 -8.2074 -8.2001 -8.1992 -8.1954 -8.1937 1.9398 1.9436 7.6084 7.9913 8.5583 9.0653 9.8362 9.8422 10.8073 10.8555 11.0029 11.0684 11.1035 11.1481 11.3004 11.4460 11.8635 11.8690 14.3782 14.4864 14.7856 14.7900 14.9751 15.0161 15.3223 15.3284 k = 0.2986 0.1724 0.4876 ( 2471 PWs) bands (ev): -36.7312 -36.7312 -15.7391 -15.7380 -15.2403 -15.2389 -15.2332 -15.2330 -11.1674 -11.1671 -11.1641 -11.1632 -8.2090 -8.2075 -8.1997 -8.1988 -8.1959 -8.1942 1.9217 1.9254 7.6086 7.9650 8.6143 9.0964 9.8239 9.8309 10.8127 10.8621 11.0029 11.0625 11.1021 11.1465 11.3135 11.4590 11.8899 11.8955 14.4480 14.5554 14.7586 14.7636 14.9680 15.0042 15.3287 15.3297 k = 0.2917 0.1684 0.4763 ( 2467 PWs) bands (ev): -36.7313 -36.7312 -15.7390 -15.7379 -15.2403 -15.2389 -15.2329 -15.2327 -11.1675 -11.1672 -11.1639 -11.1630 -8.2090 -8.2076 -8.1993 -8.1984 -8.1963 -8.1946 1.9014 1.9049 7.6125 7.9449 8.6717 9.1312 9.8138 9.8215 10.8179 10.8684 11.0036 11.0566 11.1006 11.1451 11.3263 11.4715 11.9171 11.9225 14.5153 14.6217 14.7315 14.7370 14.9633 14.9936 15.3300 15.3388 k = 0.2847 0.1644 0.4649 ( 2467 PWs) bands (ev): -36.7313 -36.7313 -15.7389 -15.7378 -15.2402 -15.2389 -15.2327 -15.2325 -11.1676 -11.1674 -11.1638 -11.1629 -8.2090 -8.2076 -8.1990 -8.1981 -8.1968 -8.1951 1.8788 1.8821 7.6203 7.9312 8.7302 9.1691 9.8057 9.8140 10.8231 10.8742 11.0051 11.0505 11.0989 11.1442 11.3388 11.4836 11.9451 11.9502 14.5770 14.6763 14.7111 14.7116 14.9621 14.9855 15.3320 15.3498 k = 0.2778 0.1604 0.4536 ( 2467 PWs) bands (ev): -36.7313 -36.7313 -15.7387 -15.7377 -15.2401 -15.2389 -15.2324 -15.2323 -11.1677 -11.1675 -11.1637 -11.1628 -8.2091 -8.2078 -8.1988 -8.1979 -8.1972 -8.1955 1.8540 1.8571 7.6326 7.9240 8.7895 9.2095 9.8000 9.8085 10.8281 10.8793 11.0074 11.0446 11.0969 11.1438 11.3510 11.4954 11.9738 11.9786 14.6249 14.6670 14.6915 14.7478 14.9662 14.9816 15.3347 15.3626 k = 0.2708 0.1564 0.4423 ( 2463 PWs) bands (ev): -36.7313 -36.7313 -15.7385 -15.7375 -15.2400 -15.2389 -15.2321 -15.2320 -11.1679 -11.1677 -11.1636 -11.1627 -8.2092 -8.2079 -8.1987 -8.1977 -8.1975 -8.1959 1.8270 1.8300 7.6494 7.9233 8.8494 9.2517 9.7968 9.8051 10.8330 10.8837 11.0106 11.0390 11.0947 11.1441 11.3631 11.5072 12.0032 12.0075 14.6319 14.6387 14.7021 14.7909 14.9774 14.9848 15.3380 15.3771 k = 0.2639 0.1524 0.4309 ( 2463 PWs) bands (ev): -36.7314 -36.7313 -15.7383 -15.7373 -15.2399 -15.2388 -15.2317 -15.2317 -11.1680 -11.1679 -11.1635 -11.1627 -8.2092 -8.2080 -8.1988 -8.1977 -8.1977 -8.1962 1.7980 1.8007 7.6712 7.9291 8.9095 9.2951 9.7962 9.8037 10.8377 10.8872 11.0142 11.0343 11.0923 11.1451 11.3751 11.5190 12.0334 12.0371 14.6086 14.6090 14.7293 14.8193 14.9963 14.9975 15.3416 15.3931 k = 0.2569 0.1483 0.4196 ( 2459 PWs) bands (ev): -36.7314 -36.7314 -15.7381 -15.7371 -15.2396 -15.2386 -15.2314 -15.2314 -11.1682 -11.1681 -11.1635 -11.1627 -8.2093 -8.2082 -8.1991 -8.1979 -8.1977 -8.1964 1.7670 1.7695 7.6979 7.9411 8.9696 9.3388 9.7986 9.8047 10.8422 10.8897 11.0160 11.0330 11.0896 11.1471 11.3872 11.5311 12.0643 12.0673 14.5780 14.5807 14.7488 14.8322 15.0175 15.0206 15.3456 15.4100 k = 0.2500 0.1443 0.4082 ( 2461 PWs) bands (ev): -36.7314 -36.7314 -15.7378 -15.7369 -15.2394 -15.2385 -15.2311 -15.2311 -11.1684 -11.1683 -11.1636 -11.1628 -8.2095 -8.2084 -8.1996 -8.1983 -8.1977 -8.1966 1.7341 1.7364 7.7296 7.9594 9.0294 9.3823 9.8043 9.8078 10.8465 10.8913 11.0134 11.0377 11.0867 11.1502 11.3996 11.5437 12.0959 12.0981 14.5469 14.5508 14.7591 14.8342 15.0377 15.0448 15.3498 15.4268 k = 0.2431 0.1403 0.3969 ( 2459 PWs) bands (ev): -36.7315 -36.7315 -15.7376 -15.7367 -15.2391 -15.2382 -15.2308 -15.2307 -11.1686 -11.1685 -11.1637 -11.1629 -8.2096 -8.2086 -8.2001 -8.1988 -8.1977 -8.1967 1.6995 1.7017 7.7663 7.9837 9.0886 9.4247 9.8134 9.8135 10.8508 10.8921 11.0085 11.0466 11.0835 11.1546 11.4123 11.5569 12.1284 12.1295 14.5155 14.5203 14.7630 14.8300 15.0520 15.0631 15.3541 15.4424 k = 0.2361 0.1363 0.3856 ( 2455 PWs) bands (ev): -36.7315 -36.7315 -15.7373 -15.7364 -15.2388 -15.2379 -15.2304 -15.2303 -11.1687 -11.1687 -11.1638 -11.1630 -8.2097 -8.2088 -8.2006 -8.1992 -8.1978 -8.1968 1.6634 1.6653 7.8079 8.0138 9.1467 9.4652 9.8214 9.8266 10.8549 10.8921 11.0029 11.0580 11.0801 11.1603 11.4256 11.5711 12.1615 12.1616 14.4841 14.4894 14.7627 14.8227 15.0564 15.0709 15.3584 15.4556 k = 0.2292 0.1323 0.3742 ( 2455 PWs) bands (ev): -36.7315 -36.7315 -15.7370 -15.7362 -15.2384 -15.2376 -15.2300 -15.2300 -11.1690 -11.1689 -11.1640 -11.1632 -8.2099 -8.2091 -8.2011 -8.1998 -8.1979 -8.1970 1.6259 1.6276 7.8542 8.0495 9.2035 9.5031 9.8319 9.8438 10.8589 10.8916 10.9970 11.0716 11.0764 11.1677 11.4397 11.5864 12.1942 12.1954 14.4526 14.4585 14.7597 14.8137 15.0499 15.0660 15.3623 15.4658 k = 0.2222 0.1283 0.3629 ( 2463 PWs) bands (ev): -36.7316 -36.7316 -15.7366 -15.7359 -15.2380 -15.2373 -15.2297 -15.2296 -11.1693 -11.1692 -11.1642 -11.1635 -8.2101 -8.2094 -8.2017 -8.2004 -8.1982 -8.1973 1.5872 1.5887 7.9052 8.0903 9.2585 9.5379 9.8448 9.8650 10.8628 10.8906 10.9911 11.0725 11.0871 11.1769 11.4548 11.6032 12.2273 12.2298 14.4213 14.4276 14.7552 14.8036 15.0325 15.0484 15.3653 15.4732 k = 0.2153 0.1243 0.3515 ( 2471 PWs) bands (ev): -36.7316 -36.7316 -15.7363 -15.7356 -15.2376 -15.2369 -15.2294 -15.2293 -11.1696 -11.1695 -11.1645 -11.1639 -8.2104 -8.2097 -8.2023 -8.2010 -8.1985 -8.1977 1.5474 1.5488 7.9605 8.1361 9.3114 9.5695 9.8602 9.8899 10.8668 10.8894 10.9852 11.0682 11.1046 11.1882 11.4711 11.6218 12.2609 12.2651 14.3902 14.3968 14.7495 14.7926 15.0056 15.0198 15.3669 15.4783 k = 0.2083 0.1203 0.3402 ( 2475 PWs) bands (ev): -36.7317 -36.7317 -15.7360 -15.7353 -15.2371 -15.2365 -15.2290 -15.2289 -11.1699 -11.1698 -11.1649 -11.1642 -8.2106 -8.2101 -8.2029 -8.2016 -8.1988 -8.1981 1.5069 1.5081 8.0200 8.1864 9.3621 9.5981 9.8778 9.9178 10.8707 10.8880 10.9794 11.0638 11.1242 11.2018 11.4888 11.6424 12.2951 12.3009 14.3594 14.3664 14.7430 14.7807 14.9713 14.9826 15.3667 15.4815 k = 0.2014 0.1163 0.3289 ( 2475 PWs) bands (ev): -36.7317 -36.7317 -15.7356 -15.7349 -15.2366 -15.2360 -15.2286 -15.2285 -11.1702 -11.1700 -11.1652 -11.1645 -8.2109 -8.2104 -8.2034 -8.2022 -8.1992 -8.1984 1.4657 1.4668 8.0834 8.2409 9.4102 9.6241 9.8975 9.9478 10.8747 10.8866 10.9736 11.0591 11.1461 11.2181 11.5083 11.6656 12.3298 12.3374 14.3292 14.3365 14.7355 14.7672 14.9320 14.9391 15.3645 15.4830 k = 0.1944 0.1123 0.3175 ( 2481 PWs) bands (ev): -36.7318 -36.7318 -15.7352 -15.7346 -15.2360 -15.2355 -15.2282 -15.2281 -11.1705 -11.1703 -11.1656 -11.1650 -8.2111 -8.2107 -8.2040 -8.2028 -8.1996 -8.1990 1.4241 1.4250 8.1502 8.2992 9.4558 9.6480 9.9189 9.9787 10.8787 10.8852 10.9679 11.0542 11.1704 11.2376 11.5297 11.6914 12.3649 12.3744 14.2997 14.3072 14.7264 14.7504 14.8910 14.8921 15.3600 15.4826 k = 0.1875 0.1083 0.3062 ( 2483 PWs) bands (ev): -36.7318 -36.7318 -15.7348 -15.7342 -15.2354 -15.2350 -15.2278 -15.2278 -11.1708 -11.1706 -11.1660 -11.1654 -8.2114 -8.2110 -8.2046 -8.2034 -8.2001 -8.1995 1.3822 1.3831 8.2201 8.3607 9.4988 9.6707 9.9415 10.0096 10.8826 10.8839 10.9623 11.0490 11.1973 11.2606 11.5534 11.7204 12.4003 12.4119 14.2711 14.2786 14.7141 14.7278 14.8449 14.8527 15.3531 15.4802 k = 0.1806 0.1042 0.2948 ( 2475 PWs) bands (ev): -36.7319 -36.7318 -15.7343 -15.7338 -15.2348 -15.2344 -15.2274 -15.2273 -11.1710 -11.1708 -11.1663 -11.1658 -8.2116 -8.2113 -8.2051 -8.2039 -8.2005 -8.1999 1.3403 1.3410 8.2928 8.4252 9.5394 9.6925 9.9649 10.0394 10.8826 10.8864 10.9567 11.0435 11.2270 11.2874 11.5795 11.7529 12.4361 12.4498 14.2434 14.2511 14.6949 14.6960 14.8026 14.8215 15.3436 15.4753 k = 0.1736 0.1002 0.2835 ( 2485 PWs) bands (ev): -36.7319 -36.7319 -15.7339 -15.7334 -15.2342 -15.2338 -15.2271 -15.2270 -11.1714 -11.1711 -11.1668 -11.1663 -8.2120 -8.2117 -8.2057 -8.2046 -8.2011 -8.2006 1.2985 1.2992 8.3677 8.4919 9.5779 9.7139 9.9883 10.0674 10.8813 10.8898 10.9511 11.0377 11.2593 11.3183 11.6084 11.7891 12.4719 12.4880 14.2170 14.2246 14.6543 14.6634 14.7715 14.7991 15.3313 15.4677 k = 0.1667 0.0962 0.2722 ( 2485 PWs) bands (ev): -36.7319 -36.7319 -15.7334 -15.7330 -15.2335 -15.2331 -15.2267 -15.2266 -11.1717 -11.1714 -11.1673 -11.1668 -8.2123 -8.2121 -8.2063 -8.2052 -8.2016 -8.2011 1.2570 1.2576 8.4445 8.5604 9.6147 9.7353 10.0112 10.0932 10.8801 10.8930 10.9456 11.0317 11.2948 11.3540 11.6403 11.8293 12.5079 12.5264 14.1920 14.1995 14.6057 14.6195 14.7526 14.7836 15.3161 15.4571 k = 0.1597 0.0922 0.2608 ( 2481 PWs) bands (ev): -36.7320 -36.7320 -15.7330 -15.7326 -15.2328 -15.2324 -15.2263 -15.2262 -11.1719 -11.1717 -11.1677 -11.1672 -8.2126 -8.2124 -8.2069 -8.2058 -8.2021 -8.2017 1.2160 1.2165 8.5225 8.6301 9.6500 9.7571 10.0331 10.1163 10.8788 10.8957 10.9401 11.0254 11.3334 11.3943 11.6754 11.8736 12.5439 12.5649 14.1686 14.1758 14.5534 14.5687 14.7413 14.7722 15.2981 15.4430 k = 0.1528 0.0882 0.2495 ( 2481 PWs) bands (ev): -36.7320 -36.7320 -15.7325 -15.7322 -15.2320 -15.2318 -15.2259 -15.2259 -11.1722 -11.1719 -11.1682 -11.1677 -8.2129 -8.2128 -8.2075 -8.2065 -8.2026 -8.2023 1.1757 1.1761 8.6012 8.7006 9.6842 9.7792 10.0536 10.1367 10.8773 10.8978 10.9346 11.0188 11.3751 11.4396 11.7140 11.9222 12.5798 12.6033 14.1471 14.1539 14.4997 14.5152 14.7336 14.7633 15.2771 15.4254 k = 0.1458 0.0842 0.2381 ( 2469 PWs) bands (ev): -36.7321 -36.7321 -15.7320 -15.7317 -15.2313 -15.2311 -15.2255 -15.2254 -11.1724 -11.1721 -11.1687 -11.1682 -8.2131 -8.2130 -8.2080 -8.2070 -8.2031 -8.2028 1.1361 1.1364 8.6800 8.7711 9.7176 9.8020 10.0725 10.1544 10.8757 10.8994 10.9290 11.0119 11.4200 11.4897 11.7564 11.9750 12.6153 12.6414 14.1276 14.1338 14.4459 14.4613 14.7280 14.7561 15.2532 15.4039 k = 0.1389 0.0802 0.2268 ( 2463 PWs) bands (ev): -36.7321 -36.7321 -15.7315 -15.7313 -15.2305 -15.2303 -15.2251 -15.2251 -11.1726 -11.1723 -11.1691 -11.1687 -8.2133 -8.2133 -8.2086 -8.2077 -8.2036 -8.2033 1.0974 1.0977 8.7584 8.8411 9.7505 9.8255 10.0895 10.1695 10.8738 10.9002 10.9235 11.0048 11.4682 11.5444 11.8025 12.0319 12.6504 12.6791 14.1105 14.1160 14.3931 14.4082 14.7234 14.7500 15.2265 15.3785 k = 0.1319 0.0762 0.2155 ( 2463 PWs) bands (ev): -36.7322 -36.7322 -15.7311 -15.7308 -15.2298 -15.2296 -15.2248 -15.2247 -11.1729 -11.1726 -11.1696 -11.1692 -8.2137 -8.2136 -8.2093 -8.2083 -8.2041 -8.2039 1.0599 1.0601 8.8356 8.9099 9.7830 9.8496 10.1047 10.1822 10.8716 10.9004 10.9179 10.9973 11.5199 11.6038 11.8526 12.0925 12.6848 12.7160 14.0958 14.1003 14.3419 14.3567 14.7197 14.7448 15.1971 15.3491 k = 0.1250 0.0722 0.2041 ( 2459 PWs) bands (ev): -36.7322 -36.7322 -15.7306 -15.7304 -15.2291 -15.2289 -15.2244 -15.2244 -11.1731 -11.1729 -11.1701 -11.1697 -8.2140 -8.2139 -8.2099 -8.2090 -8.2046 -8.2045 1.0235 1.0237 8.9111 8.9770 9.8155 9.8746 10.1181 10.1927 10.8690 10.8999 10.9123 10.9895 11.5751 11.6675 11.9066 12.1566 12.7184 12.7520 14.0836 14.0869 14.2932 14.3075 14.7165 14.7402 15.1652 15.3155 k = 0.1181 0.0682 0.1928 ( 2475 PWs) bands (ev): -36.7323 -36.7323 -15.7302 -15.7301 -15.2284 -15.2283 -15.2241 -15.2241 -11.1735 -11.1732 -11.1708 -11.1704 -8.2144 -8.2143 -8.2106 -8.2098 -8.2052 -8.2051 0.9884 0.9886 8.9841 9.0418 9.8477 9.9002 10.1298 10.2013 10.8662 10.8988 10.9065 10.9813 11.6339 11.7350 11.9646 12.2236 12.7508 12.7866 14.0736 14.0759 14.2478 14.2612 14.7137 14.7361 15.1311 15.2779 k = 0.1111 0.0642 0.1814 ( 2475 PWs) bands (ev): -36.7323 -36.7323 -15.7298 -15.7296 -15.2277 -15.2276 -15.2238 -15.2238 -11.1737 -11.1735 -11.1713 -11.1709 -8.2147 -8.2146 -8.2113 -8.2104 -8.2057 -8.2056 0.9548 0.9550 9.0541 9.1038 9.8799 9.9265 10.1401 10.2083 10.8631 10.8971 10.9008 10.9730 11.6965 11.8062 12.0266 12.2930 12.7819 12.8198 14.0653 14.0671 14.2072 14.2186 14.7113 14.7325 15.0950 15.2363 k = 0.1042 0.0601 0.1701 ( 2475 PWs) bands (ev): -36.7324 -36.7324 -15.7294 -15.7293 -15.2270 -15.2269 -15.2235 -15.2234 -11.1740 -11.1737 -11.1718 -11.1714 -8.2150 -8.2149 -8.2119 -8.2111 -8.2062 -8.2061 0.9228 0.9229 9.1206 9.1626 9.9120 9.9534 10.1492 10.2141 10.8598 10.8948 10.8951 10.9645 11.7630 11.8805 12.0924 12.3641 12.8115 12.8511 14.0568 14.0597 14.1737 14.1810 14.7092 14.7292 15.0576 15.1910 k = 0.0972 0.0561 0.1588 ( 2477 PWs) bands (ev): -36.7324 -36.7324 -15.7290 -15.7289 -15.2263 -15.2263 -15.2232 -15.2232 -11.1742 -11.1740 -11.1722 -11.1719 -8.2154 -8.2152 -8.2125 -8.2118 -8.2066 -8.2065 0.8923 0.8924 9.1829 9.2177 9.9438 9.9808 10.1572 10.2188 10.8564 10.8893 10.8921 10.9557 11.8334 11.9574 12.1618 12.4361 12.8394 12.8803 14.0446 14.0519 14.1507 14.1512 14.7073 14.7263 15.0191 15.1423 k = 0.0903 0.0521 0.1474 ( 2477 PWs) bands (ev): -36.7324 -36.7324 -15.7286 -15.7285 -15.2257 -15.2256 -15.2229 -15.2229 -11.1745 -11.1742 -11.1727 -11.1724 -8.2156 -8.2155 -8.2131 -8.2124 -8.2070 -8.2070 0.8636 0.8637 9.2407 9.2689 9.9752 10.0082 10.1645 10.2227 10.8529 10.8837 10.8890 10.9467 11.9076 12.0362 12.2346 12.5082 12.8655 12.9072 14.0264 14.0408 14.1309 14.1427 14.7055 14.7235 14.9803 15.0906 k = 0.0833 0.0481 0.1361 ( 2481 PWs) bands (ev): -36.7325 -36.7325 -15.7282 -15.7282 -15.2251 -15.2250 -15.2227 -15.2226 -11.1747 -11.1745 -11.1732 -11.1729 -8.2159 -8.2158 -8.2137 -8.2131 -8.2074 -8.2074 0.8368 0.8368 9.2937 9.3160 10.0060 10.0356 10.1711 10.2259 10.8494 10.8781 10.8855 10.9376 11.9855 12.1161 12.3107 12.5793 12.8895 12.9316 14.0037 14.0246 14.1236 14.1467 14.7039 14.7209 14.9420 15.0366 k = 0.0764 0.0441 0.1247 ( 2487 PWs) bands (ev): -36.7325 -36.7325 -15.7279 -15.7279 -15.2245 -15.2245 -15.2224 -15.2224 -11.1749 -11.1747 -11.1737 -11.1734 -8.2162 -8.2160 -8.2143 -8.2138 -8.2078 -8.2078 0.8118 0.8118 9.3418 9.3589 10.0358 10.0626 10.1772 10.2285 10.8460 10.8726 10.8817 10.9284 12.0666 12.1961 12.3896 12.6485 12.9116 12.9534 13.9802 14.0054 14.1268 14.1598 14.7023 14.7182 14.9051 14.9812 k = 0.0694 0.0401 0.1134 ( 2491 PWs) bands (ev): -36.7326 -36.7326 -15.7276 -15.7276 -15.2240 -15.2240 -15.2222 -15.2222 -11.1751 -11.1749 -11.1741 -11.1739 -8.2164 -8.2163 -8.2149 -8.2144 -8.2082 -8.2082 0.7887 0.7888 9.3847 9.3976 10.0645 10.0888 10.1831 10.2307 10.8428 10.8674 10.8777 10.9192 12.1503 12.2748 12.4710 12.7146 12.9317 12.9726 13.9584 13.9864 14.1372 14.1790 14.7007 14.7151 14.8707 14.9259 k = 0.0625 0.0361 0.1021 ( 2479 PWs) bands (ev): -36.7326 -36.7326 -15.7273 -15.7272 -15.2235 -15.2234 -15.2220 -15.2219 -11.1752 -11.1750 -11.1744 -11.1742 -8.2166 -8.2164 -8.2153 -8.2148 -8.2084 -8.2084 0.7677 0.7677 9.4228 9.4320 10.0917 10.1139 10.1888 10.2327 10.8400 10.8625 10.8736 10.9101 12.2359 12.3513 12.5544 12.7765 12.9501 12.9893 13.9398 13.9695 14.1527 14.2025 14.6993 14.7112 14.8398 14.8728 k = 0.0556 0.0321 0.0907 ( 2475 PWs) bands (ev): -36.7326 -36.7326 -15.7270 -15.7270 -15.2230 -15.2230 -15.2218 -15.2218 -11.1753 -11.1751 -11.1747 -11.1745 -8.2167 -8.2166 -8.2157 -8.2153 -8.2086 -8.2086 0.7487 0.7488 9.4559 9.4623 10.1172 10.1373 10.1943 10.2342 10.8376 10.8580 10.8694 10.9011 12.3221 12.4243 12.6383 12.8331 12.9670 13.0037 13.9251 13.9553 14.1717 14.2282 14.6981 14.7053 14.8138 14.8253 k = 0.0486 0.0281 0.0794 ( 2467 PWs) bands (ev): -36.7326 -36.7326 -15.7267 -15.7267 -15.2225 -15.2225 -15.2216 -15.2216 -11.1754 -11.1752 -11.1749 -11.1748 -8.2168 -8.2167 -8.2161 -8.2158 -8.2088 -8.2088 0.7319 0.7319 9.4844 9.4886 10.1406 10.1587 10.1997 10.2354 10.8357 10.8540 10.8652 10.8923 12.4072 12.4927 12.7210 12.8831 12.9827 13.0160 13.9145 13.9436 14.1935 14.2537 14.6959 14.6979 14.7879 14.7933 k = 0.0417 0.0241 0.0680 ( 2457 PWs) bands (ev): -36.7327 -36.7327 -15.7265 -15.7265 -15.2221 -15.2221 -15.2214 -15.2214 -11.1754 -11.1753 -11.1751 -11.1749 -8.2169 -8.2168 -8.2164 -8.2161 -8.2089 -8.2089 0.7172 0.7172 9.5085 9.5110 10.1617 10.1778 10.2050 10.2362 10.8345 10.8505 10.8612 10.8838 12.4891 12.5555 12.8004 12.9261 12.9977 13.0264 13.9081 13.9339 14.2168 14.2760 14.6835 14.6995 14.7645 14.7785 k = 0.0347 0.0200 0.0567 ( 2447 PWs) bands (ev): -36.7327 -36.7327 -15.7263 -15.7263 -15.2218 -15.2217 -15.2213 -15.2213 -11.1755 -11.1754 -11.1752 -11.1751 -8.2170 -8.2169 -8.2166 -8.2164 -8.2090 -8.2090 0.7048 0.7048 9.5283 9.5297 10.1802 10.1942 10.2101 10.2365 10.8339 10.8477 10.8574 10.8757 12.5652 12.6117 12.8737 12.9617 13.0123 13.0351 13.9050 13.9256 14.2407 14.2921 14.6744 14.7045 14.7530 14.7688 k = 0.0278 0.0160 0.0454 ( 2435 PWs) bands (ev): -36.7327 -36.7327 -15.7261 -15.7261 -15.2214 -15.2214 -15.2211 -15.2211 -11.1755 -11.1754 -11.1753 -11.1752 -8.2170 -8.2170 -8.2168 -8.2166 -8.2091 -8.2091 0.6945 0.6945 9.5441 9.5449 10.1960 10.2077 10.2150 10.2364 10.8342 10.8455 10.8538 10.8681 12.6322 12.6603 12.9378 12.9908 13.0264 13.0424 13.9043 13.9182 14.2634 14.3006 14.6766 14.7138 14.7484 14.7631 k = 0.0208 0.0120 0.0340 ( 2441 PWs) bands (ev): -36.7327 -36.7327 -15.7260 -15.7260 -15.2212 -15.2212 -15.2211 -15.2211 -11.1756 -11.1755 -11.1755 -11.1754 -8.2172 -8.2171 -8.2170 -8.2169 -8.2092 -8.2092 0.6865 0.6865 9.5561 9.5564 10.2088 10.2180 10.2195 10.2356 10.8353 10.8441 10.8506 10.8610 12.6867 12.7002 12.9899 13.0150 13.0386 13.0483 13.9043 13.9116 14.2828 14.3034 14.6916 14.7271 14.7473 14.7597 k = 0.0139 0.0080 0.0227 ( 2441 PWs) bands (ev): -36.7327 -36.7327 -15.7259 -15.7259 -15.2211 -15.2211 -15.2210 -15.2210 -11.1756 -11.1756 -11.1756 -11.1755 -8.2172 -8.2172 -8.2171 -8.2170 -8.2093 -8.2093 0.6808 0.6808 9.5646 9.5647 10.2185 10.2237 10.2250 10.2343 10.8374 10.8433 10.8479 10.8546 12.7259 12.7303 13.0276 13.0353 13.0480 13.0529 13.9038 13.9063 14.2971 14.3044 14.7149 14.7420 14.7484 14.7577 k = 0.0069 0.0040 0.0113 ( 2445 PWs) bands (ev): -36.7327 -36.7327 -15.7259 -15.7259 -15.2210 -15.2210 -15.2210 -15.2210 -11.1757 -11.1757 -11.1756 -11.1756 -8.2173 -8.2173 -8.2172 -8.2172 -8.2093 -8.2093 0.6773 0.6773 9.5696 9.5696 10.2251 10.2272 10.2288 10.2322 10.8403 10.8434 10.8457 10.8490 12.7489 12.7495 13.0495 13.0502 13.0538 13.0556 13.9027 13.9031 14.3049 14.3059 14.7383 14.7505 14.7525 14.7559 k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -36.7327 -36.7327 -15.7259 -15.7259 -15.2210 -15.2210 -15.2210 -15.2210 -11.1757 -11.1757 -11.1757 -11.1757 -8.2173 -8.2173 -8.2173 -8.2173 -8.2093 -8.2093 0.6762 0.6762 9.5712 9.5712 10.2293 10.2293 10.2293 10.2293 10.8442 10.8442 10.8442 10.8442 12.7562 12.7562 13.0562 13.0562 13.0562 13.0562 13.9020 13.9020 14.3070 14.3070 14.7529 14.7529 14.7529 14.7529 k = 0.0000 0.0000 0.0000 ( 2445 PWs) bands (ev): -36.7327 -36.7327 -15.7259 -15.7259 -15.2210 -15.2210 -15.2210 -15.2210 -11.1757 -11.1757 -11.1757 -11.1757 -8.2173 -8.2173 -8.2173 -8.2173 -8.2093 -8.2093 0.6762 0.6762 9.5712 9.5712 10.2293 10.2293 10.2293 10.2293 10.8442 10.8442 10.8442 10.8442 12.7562 12.7562 13.0562 13.0562 13.0562 13.0562 13.9020 13.9020 14.3070 14.3070 14.7529 14.7529 14.7529 14.7529 k = 0.0114 0.0066 0.0046 ( 2445 PWs) bands (ev): -36.7327 -36.7327 -15.7259 -15.7259 -15.2210 -15.2210 -15.2210 -15.2210 -11.1757 -11.1757 -11.1757 -11.1756 -8.2173 -8.2172 -8.2172 -8.2172 -8.2093 -8.2093 0.6773 0.6773 9.5696 9.5696 10.2252 10.2279 10.2279 10.2323 10.8402 10.8445 10.8445 10.8492 12.7491 12.7491 13.0495 13.0495 13.0542 13.0558 13.9029 13.9029 14.3054 14.3054 14.7375 14.7530 14.7530 14.7536 k = 0.0227 0.0131 0.0093 ( 2442 PWs) bands (ev): -36.7327 -36.7327 -15.7259 -15.7259 -15.2211 -15.2211 -15.2210 -15.2210 -11.1756 -11.1756 -11.1756 -11.1756 -8.2172 -8.2172 -8.2172 -8.2171 -8.2093 -8.2093 0.6808 0.6808 9.5646 9.5646 10.2200 10.2236 10.2236 10.2340 10.8371 10.8456 10.8456 10.8550 12.7277 12.7277 13.0307 13.0307 13.0498 13.0531 13.9054 13.9054 14.3002 14.3002 14.7104 14.7402 14.7559 14.7559 k = 0.0341 0.0197 0.0139 ( 2436 PWs) bands (ev): -36.7327 -36.7327 -15.7260 -15.7260 -15.2212 -15.2212 -15.2211 -15.2211 -11.1755 -11.1754 -11.1754 -11.1754 -8.2171 -8.2171 -8.2170 -8.2168 -8.2092 -8.2092 0.6866 0.6866 9.5563 9.5563 10.2138 10.2166 10.2166 10.2346 10.8350 10.8473 10.8473 10.8616 12.6915 12.6915 13.0022 13.0022 13.0433 13.0481 13.9091 13.9091 14.2914 14.2914 14.6755 14.7158 14.7664 14.7664 k = 0.0455 0.0262 0.0186 ( 2436 PWs) bands (ev): -36.7327 -36.7327 -15.7261 -15.7261 -15.2214 -15.2214 -15.2212 -15.2212 -11.1755 -11.1753 -11.1753 -11.1753 -8.2170 -8.2170 -8.2168 -8.2166 -8.2091 -8.2091 0.6946 0.6946 9.5445 9.5445 10.2066 10.2067 10.2067 10.2339 10.8339 10.8496 10.8496 10.8689 12.6403 12.6403 12.9677 12.9677 13.0344 13.0405 13.9137 13.9137 14.2794 14.2794 14.6367 14.6845 14.7880 14.7880 k = 0.0568 0.0328 0.0232 ( 2445 PWs) bands (ev): -36.7327 -36.7327 -15.7263 -15.7263 -15.2217 -15.2217 -15.2213 -15.2213 -11.1754 -11.1753 -11.1753 -11.1752 -8.2169 -8.2169 -8.2166 -8.2163 -8.2090 -8.2090 0.7049 0.7049 9.5292 9.5292 10.1939 10.1939 10.1986 10.2320 10.8337 10.8525 10.8525 10.8768 12.5751 12.5751 12.9298 12.9298 13.0232 13.0304 13.9189 13.9189 14.2657 14.2657 14.5966 14.6499 14.8216 14.8216 k = 0.0682 0.0394 0.0278 ( 2451 PWs) bands (ev): -36.7327 -36.7327 -15.7265 -15.7265 -15.2220 -15.2220 -15.2214 -15.2214 -11.1752 -11.1752 -11.1752 -11.1750 -8.2168 -8.2168 -8.2164 -8.2160 -8.2089 -8.2089 0.7174 0.7174 9.5102 9.5102 10.1785 10.1785 10.1898 10.2289 10.8345 10.8559 10.8559 10.8852 12.4979 12.4979 12.8903 12.8903 13.0099 13.0178 13.9245 13.9245 14.2519 14.2519 14.5572 14.6144 14.8660 14.8660 k = 0.0795 0.0459 0.0325 ( 2469 PWs) bands (ev): -36.7326 -36.7326 -15.7267 -15.7267 -15.2225 -15.2225 -15.2216 -15.2216 -11.1752 -11.1751 -11.1751 -11.1749 -8.2167 -8.2167 -8.2162 -8.2158 -8.2088 -8.2088 0.7322 0.7322 9.4873 9.4873 10.1605 10.1605 10.1803 10.2245 10.8360 10.8598 10.8598 10.8939 12.4115 12.4115 12.8500 12.8500 12.9943 13.0026 13.9304 13.9304 14.2394 14.2394 14.5198 14.5798 14.9196 14.9196 k = 0.0909 0.0525 0.0371 ( 2475 PWs) bands (ev): -36.7326 -36.7326 -15.7270 -15.7270 -15.2229 -15.2229 -15.2218 -15.2218 -11.1750 -11.1749 -11.1749 -11.1747 -8.2166 -8.2166 -8.2158 -8.2154 -8.2086 -8.2086 0.7491 0.7491 9.4603 9.4603 10.1400 10.1400 10.1702 10.2192 10.8385 10.8641 10.8641 10.9031 12.3188 12.3188 12.8092 12.8092 12.9765 12.9849 13.9366 13.9366 14.2292 14.2292 14.4853 14.5473 14.9806 14.9806 k = 0.1023 0.0590 0.0418 ( 2478 PWs) bands (ev): -36.7326 -36.7326 -15.7273 -15.7273 -15.2234 -15.2234 -15.2221 -15.2220 -11.1748 -11.1747 -11.1747 -11.1745 -8.2164 -8.2164 -8.2154 -8.2149 -8.2084 -8.2084 0.7682 0.7682 9.4291 9.4291 10.1171 10.1171 10.1597 10.2128 10.8416 10.8687 10.8687 10.9124 12.2225 12.2225 12.7681 12.7681 12.9568 12.9648 13.9431 13.9431 14.2219 14.2219 14.4544 14.5175 15.0475 15.0475 k = 0.1136 0.0656 0.0464 ( 2475 PWs) bands (ev): -36.7326 -36.7326 -15.7276 -15.7276 -15.2238 -15.2238 -15.2223 -15.2223 -11.1746 -11.1743 -11.1743 -11.1742 -8.2161 -8.2161 -8.2149 -8.2143 -8.2081 -8.2081 0.7893 0.7893 9.3932 9.3932 10.0922 10.0922 10.1487 10.2055 10.8455 10.8735 10.8735 10.9219 12.1251 12.1251 12.7267 12.7267 12.9351 12.9424 13.9499 13.9499 14.2176 14.2176 14.4273 14.4911 15.1191 15.1191 k = 0.1250 0.0722 0.0510 ( 2493 PWs) bands (ev): -36.7325 -36.7325 -15.7279 -15.7279 -15.2244 -15.2244 -15.2226 -15.2226 -11.1744 -11.1741 -11.1741 -11.1741 -8.2159 -8.2159 -8.2144 -8.2139 -8.2079 -8.2079 0.8125 0.8125 9.3523 9.3523 10.0653 10.0653 10.1373 10.1974 10.8498 10.8784 10.8784 10.9313 12.0283 12.0283 12.6851 12.6851 12.9116 12.9177 13.9571 13.9571 14.2164 14.2164 14.4043 14.4682 15.1942 15.1942 k = 0.1364 0.0787 0.0557 ( 2493 PWs) bands (ev): -36.7325 -36.7325 -15.7283 -15.7283 -15.2250 -15.2250 -15.2229 -15.2229 -11.1742 -11.1738 -11.1737 -11.1737 -8.2156 -8.2156 -8.2138 -8.2132 -8.2076 -8.2076 0.8377 0.8377 9.3063 9.3063 10.0369 10.0369 10.1258 10.1885 10.8546 10.8834 10.8834 10.9408 11.9337 11.9337 12.6438 12.6438 12.8864 12.8911 13.9647 13.9647 14.2183 14.2183 14.3855 14.4491 15.2722 15.2722 k = 0.1477 0.0853 0.0603 ( 2487 PWs) bands (ev): -36.7324 -36.7324 -15.7286 -15.7286 -15.2256 -15.2256 -15.2231 -15.2231 -11.1738 -11.1735 -11.1733 -11.1733 -8.2153 -8.2153 -8.2132 -8.2125 -8.2072 -8.2072 0.8648 0.8648 9.2549 9.2549 10.0074 10.0074 10.1141 10.1790 10.8597 10.8884 10.8884 10.9501 11.8427 11.8427 12.6028 12.6028 12.8599 12.8628 13.9728 13.9728 14.2231 14.2231 14.3710 14.4338 15.3523 15.3523 k = 0.1591 0.0919 0.0649 ( 2481 PWs) bands (ev): -36.7324 -36.7324 -15.7290 -15.7290 -15.2262 -15.2262 -15.2234 -15.2234 -11.1735 -11.1731 -11.1728 -11.1728 -8.2150 -8.2150 -8.2124 -8.2117 -8.2068 -8.2068 0.8938 0.8938 9.1978 9.1978 9.9771 9.9771 10.1022 10.1689 10.8651 10.8932 10.8932 10.9591 11.7561 11.7561 12.5624 12.5624 12.8321 12.8330 13.9815 13.9815 14.2307 14.2307 14.3607 14.4224 15.4339 15.4339 k = 0.1705 0.0984 0.0696 ( 2481 PWs) bands (ev): -36.7324 -36.7324 -15.7294 -15.7294 -15.2269 -15.2269 -15.2237 -15.2237 -11.1732 -11.1728 -11.1723 -11.1723 -8.2147 -8.2147 -8.2117 -8.2110 -8.2064 -8.2064 0.9245 0.9245 9.1350 9.1350 9.9463 9.9463 10.0903 10.1583 10.8706 10.8977 10.8977 10.9678 11.6745 11.6745 12.5227 12.5227 12.8019 12.8034 13.9907 13.9907 14.2407 14.2407 14.3543 14.4147 15.5166 15.5166 k = 0.1818 0.1050 0.0742 ( 2481 PWs) bands (ev): -36.7323 -36.7323 -15.7298 -15.7298 -15.2276 -15.2276 -15.2241 -15.2241 -11.1728 -11.1724 -11.1719 -11.1719 -8.2144 -8.2144 -8.2109 -8.2102 -8.2060 -8.2060 0.9568 0.9568 9.0664 9.0664 9.9154 9.9154 10.0784 10.1474 10.8762 10.9018 10.9018 10.9761 11.5986 11.5986 12.4842 12.4842 12.7699 12.7739 14.0006 14.0006 14.2531 14.2531 14.3517 14.4106 15.5997 15.5997 k = 0.1932 0.1115 0.0789 ( 2481 PWs) bands (ev): -36.7323 -36.7323 -15.7302 -15.7302 -15.2283 -15.2283 -15.2244 -15.2244 -11.1725 -11.1720 -11.1715 -11.1715 -8.2140 -8.2140 -8.2102 -8.2094 -8.2056 -8.2056 0.9908 0.9908 8.9924 8.9924 9.8848 9.8848 10.0666 10.1361 10.8818 10.9055 10.9055 10.9840 11.5283 11.5283 12.4468 12.4468 12.7374 12.7439 14.0112 14.0112 14.2677 14.2677 14.3529 14.4101 15.6828 15.6828 k = 0.2045 0.1181 0.0835 ( 2481 PWs) bands (ev): -36.7322 -36.7322 -15.7307 -15.7307 -15.2291 -15.2291 -15.2247 -15.2247 -11.1721 -11.1716 -11.1710 -11.1710 -8.2137 -8.2137 -8.2094 -8.2086 -8.2051 -8.2051 1.0262 1.0262 8.9133 8.9133 9.8547 9.8547 10.0549 10.1246 10.8873 10.9086 10.9086 10.9913 11.4640 11.4640 12.4108 12.4108 12.7045 12.7136 14.0226 14.0226 14.2842 14.2842 14.3574 14.4128 15.7655 15.7655 k = 0.2159 0.1247 0.0881 ( 2481 PWs) bands (ev): -36.7322 -36.7322 -15.7311 -15.7311 -15.2298 -15.2298 -15.2251 -15.2251 -11.1717 -11.1712 -11.1705 -11.1705 -8.2133 -8.2133 -8.2085 -8.2077 -8.2047 -8.2047 1.0630 1.0630 8.8294 8.8294 9.8253 9.8253 10.0433 10.1130 10.8926 10.9111 10.9111 10.9981 11.4055 11.4055 12.3763 12.3763 12.6716 12.6833 14.0348 14.0348 14.3026 14.3026 14.3652 14.4187 15.8473 15.8473 k = 0.2273 0.1312 0.0928 ( 2472 PWs) bands (ev): -36.7321 -36.7321 -15.7316 -15.7316 -15.2306 -15.2306 -15.2254 -15.2254 -11.1713 -11.1708 -11.1700 -11.1700 -8.2129 -8.2129 -8.2076 -8.2068 -8.2042 -8.2042 1.1009 1.1009 8.7415 8.7415 9.7968 9.7968 10.0320 10.1012 10.8978 10.9129 10.9129 11.0042 11.3528 11.3528 12.3435 12.3435 12.6390 12.6532 14.0480 14.0480 14.3227 14.3227 14.3760 14.4274 15.9273 15.9273 k = 0.2386 0.1378 0.0974 ( 2475 PWs) bands (ev): -36.7321 -36.7321 -15.7320 -15.7320 -15.2314 -15.2314 -15.2258 -15.2258 -11.1709 -11.1704 -11.1695 -11.1695 -8.2126 -8.2126 -8.2068 -8.2060 -8.2038 -8.2038 1.1400 1.1400 8.6502 8.6502 9.7692 9.7692 10.0209 10.0894 10.9028 10.9138 10.9138 11.0096 11.3054 11.3054 12.3122 12.3122 12.6068 12.6235 14.0621 14.0621 14.3443 14.3443 14.3894 14.4389 16.0049 16.0049 k = 0.2500 0.1443 0.1021 ( 2475 PWs) bands (ev): -36.7320 -36.7320 -15.7325 -15.7325 -15.2321 -15.2321 -15.2261 -15.2261 -11.1705 -11.1700 -11.1690 -11.1690 -8.2122 -8.2122 -8.2059 -8.2051 -8.2033 -8.2033 1.1801 1.1801 8.5562 8.5562 9.7427 9.7427 10.0101 10.0776 10.9074 10.9139 10.9139 11.0143 11.2631 11.2631 12.2828 12.2828 12.5754 12.5943 14.0773 14.0773 14.3673 14.3673 14.4054 14.4529 16.0787 16.0787 k = 0.2614 0.1509 0.1067 ( 2466 PWs) bands (ev): -36.7320 -36.7320 -15.7329 -15.7329 -15.2329 -15.2329 -15.2265 -15.2265 -11.1700 -11.1695 -11.1684 -11.1684 -8.2118 -8.2118 -8.2050 -8.2042 -8.2028 -8.2028 1.2209 1.2209 8.4602 8.4602 9.7173 9.7173 9.9996 10.0659 10.9119 10.9131 10.9131 11.0183 11.2257 11.2257 12.2551 12.2551 12.5449 12.5658 14.0936 14.0936 14.3916 14.3916 14.4236 14.4691 16.1465 16.1465 k = 0.2727 0.1575 0.1113 ( 2460 PWs) bands (ev): -36.7320 -36.7320 -15.7334 -15.7334 -15.2336 -15.2336 -15.2268 -15.2268 -11.1696 -11.1691 -11.1679 -11.1679 -8.2115 -8.2115 -8.2041 -8.2033 -8.2023 -8.2023 1.2623 1.2623 8.3630 8.3630 9.6929 9.6929 9.9896 10.0543 10.9114 10.9114 10.9160 11.0216 11.1929 11.1929 12.2293 12.2293 12.5155 12.5382 14.1110 14.1110 14.4170 14.4170 14.4439 14.4874 16.2037 16.2037 k = 0.2841 0.1640 0.1160 ( 2463 PWs) bands (ev): -36.7319 -36.7319 -15.7339 -15.7339 -15.2344 -15.2344 -15.2272 -15.2272 -11.1692 -11.1687 -11.1674 -11.1674 -8.2111 -8.2111 -8.2033 -8.2025 -8.2019 -8.2019 1.3041 1.3041 8.2654 8.2654 9.6697 9.6697 9.9798 10.0428 10.9086 10.9086 10.9198 11.0240 11.1642 11.1642 12.2052 12.2052 12.4873 12.5116 14.1297 14.1297 14.4432 14.4432 14.4660 14.5074 16.2411 16.2411 k = 0.2955 0.1706 0.1206 ( 2472 PWs) bands (ev): -36.7319 -36.7319 -15.7343 -15.7343 -15.2352 -15.2352 -15.2276 -15.2276 -11.1689 -11.1685 -11.1670 -11.1670 -8.2109 -8.2109 -8.2025 -8.2017 -8.2014 -8.2014 1.3462 1.3462 8.1680 8.1680 9.6475 9.6475 9.9705 10.0315 10.9049 10.9049 10.9233 11.0256 11.1393 11.1393 12.1829 12.1829 12.4604 12.4860 14.1497 14.1497 14.4703 14.4703 14.4895 14.5290 16.2444 16.2444 k = 0.3068 0.1771 0.1253 ( 2472 PWs) bands (ev): -36.7318 -36.7318 -15.7348 -15.7348 -15.2359 -15.2359 -15.2279 -15.2279 -11.1685 -11.1681 -11.1665 -11.1665 -8.2105 -8.2105 -8.2016 -8.2010 -8.2010 -8.2009 1.3882 1.3882 8.0716 8.0716 9.6265 9.6265 9.9617 10.0205 10.9004 10.9004 10.9265 11.0265 11.1180 11.1180 12.1624 12.1624 12.4351 12.4616 14.1711 14.1711 14.4979 14.4979 14.5145 14.5520 16.2079 16.2079 k = 0.3182 0.1837 0.1299 ( 2472 PWs) bands (ev): -36.7318 -36.7318 -15.7352 -15.7352 -15.2366 -15.2366 -15.2282 -15.2282 -11.1681 -11.1677 -11.1660 -11.1660 -8.2102 -8.2102 -8.2008 -8.2006 -8.2006 -8.2001 1.4301 1.4301 7.9767 7.9767 9.6066 9.6066 9.9534 10.0098 10.8951 10.8951 10.9295 11.0266 11.0998 11.0998 12.1435 12.1435 12.4113 12.4384 14.1939 14.1939 14.5261 14.5261 14.5405 14.5761 16.1439 16.1439 k = 0.3295 0.1903 0.1345 ( 2473 PWs) bands (ev): -36.7317 -36.7317 -15.7356 -15.7356 -15.2374 -15.2374 -15.2286 -15.2286 -11.1678 -11.1674 -11.1656 -11.1656 -8.2099 -8.2099 -8.2001 -8.2001 -8.2001 -8.1993 1.4714 1.4714 7.8841 7.8841 9.5878 9.5878 9.9456 9.9995 10.8893 10.8893 10.9323 11.0261 11.0844 11.0844 12.1264 12.1264 12.3891 12.4165 14.2182 14.2182 14.5544 14.5544 14.5673 14.6009 16.0660 16.0660 k = 0.3409 0.1968 0.1392 ( 2473 PWs) bands (ev): -36.7317 -36.7317 -15.7360 -15.7360 -15.2380 -15.2380 -15.2289 -15.2289 -11.1674 -11.1670 -11.1652 -11.1652 -8.2096 -8.2096 -8.1997 -8.1997 -8.1993 -8.1986 1.5121 1.5121 7.7942 7.7942 9.5702 9.5702 9.9383 9.9895 10.8831 10.8831 10.9349 11.0249 11.0713 11.0713 12.1108 12.1108 12.3685 12.3960 14.2441 14.2441 14.5827 14.5827 14.5946 14.6264 15.9818 15.9818 k = 0.3523 0.2034 0.1438 ( 2461 PWs) bands (ev): -36.7317 -36.7317 -15.7364 -15.7364 -15.2386 -15.2386 -15.2291 -15.2291 -11.1670 -11.1667 -11.1646 -11.1646 -8.2093 -8.2093 -8.1993 -8.1993 -8.1985 -8.1978 1.5518 1.5518 7.7077 7.7077 9.5537 9.5537 9.9316 9.9799 10.8767 10.8767 10.9374 11.0231 11.0604 11.0604 12.0968 12.0968 12.3496 12.3768 14.2717 14.2717 14.6109 14.6109 14.6223 14.6521 15.8951 15.8951 k = 0.3636 0.2099 0.1485 ( 2458 PWs) bands (ev): -36.7316 -36.7316 -15.7368 -15.7368 -15.2392 -15.2392 -15.2294 -15.2294 -11.1667 -11.1663 -11.1642 -11.1642 -8.2090 -8.2090 -8.1989 -8.1989 -8.1978 -8.1972 1.5902 1.5902 7.6251 7.6251 9.5384 9.5384 9.9255 9.9707 10.8703 10.8703 10.9397 11.0207 11.0511 11.0511 12.0842 12.0842 12.3324 12.3589 14.3009 14.3009 14.6387 14.6387 14.6499 14.6777 15.8077 15.8077 k = 0.3750 0.2165 0.1531 ( 2458 PWs) bands (ev): -36.7316 -36.7316 -15.7371 -15.7371 -15.2398 -15.2398 -15.2297 -15.2297 -11.1664 -11.1661 -11.1638 -11.1638 -8.2087 -8.2087 -8.1985 -8.1985 -8.1971 -8.1965 1.6270 1.6270 7.5469 7.5469 9.5242 9.5242 9.9200 9.9620 10.8641 10.8641 10.9420 11.0179 11.0432 11.0432 12.0729 12.0729 12.3169 12.3423 14.3319 14.3319 14.6657 14.6657 14.6772 14.7030 15.7210 15.7210 k = 0.3864 0.2231 0.1577 ( 2458 PWs) bands (ev): -36.7315 -36.7315 -15.7374 -15.7374 -15.2403 -15.2403 -15.2299 -15.2299 -11.1661 -11.1658 -11.1635 -11.1635 -8.2085 -8.2085 -8.1982 -8.1982 -8.1965 -8.1960 1.6620 1.6620 7.4736 7.4736 9.5111 9.5111 9.9151 9.9537 10.8582 10.8582 10.9442 11.0146 11.0366 11.0366 12.0630 12.0630 12.3030 12.3272 14.3646 14.3646 14.6917 14.6917 14.7039 14.7276 15.6357 15.6357 k = 0.3977 0.2296 0.1624 ( 2455 PWs) bands (ev): -36.7315 -36.7315 -15.7377 -15.7377 -15.2408 -15.2408 -15.2301 -15.2301 -11.1658 -11.1655 -11.1632 -11.1632 -8.2083 -8.2083 -8.1979 -8.1979 -8.1959 -8.1954 1.6948 1.6948 7.4057 7.4057 9.4993 9.4993 9.9109 9.9459 10.8526 10.8526 10.9465 11.0109 11.0310 11.0310 12.0543 12.0543 12.2908 12.3133 14.3991 14.3991 14.7165 14.7165 14.7295 14.7512 15.5524 15.5524 k = 0.4091 0.2362 0.1670 ( 2461 PWs) bands (ev): -36.7315 -36.7315 -15.7380 -15.7380 -15.2412 -15.2412 -15.2304 -15.2304 -11.1656 -11.1653 -11.1629 -11.1629 -8.2081 -8.2081 -8.1976 -8.1976 -8.1954 -8.1950 1.7252 1.7252 7.3435 7.3435 9.4886 9.4886 9.9072 9.9387 10.8475 10.8475 10.9488 11.0070 11.0262 11.0262 12.0467 12.0467 12.2801 12.3008 14.4353 14.4353 14.7397 14.7397 14.7539 14.7733 15.4715 15.4715 k = 0.4205 0.2427 0.1716 ( 2470 PWs) bands (ev): -36.7315 -36.7315 -15.7383 -15.7383 -15.2417 -15.2417 -15.2306 -15.2306 -11.1654 -11.1652 -11.1628 -11.1628 -8.2080 -8.2080 -8.1974 -8.1974 -8.1951 -8.1947 1.7528 1.7528 7.2876 7.2876 9.4791 9.4791 9.9042 9.9320 10.8429 10.8429 10.9512 11.0028 11.0221 11.0221 12.0401 12.0401 12.2710 12.2897 14.4731 14.4731 14.7610 14.7610 14.7765 14.7938 15.3937 15.3937 k = 0.4318 0.2493 0.1763 ( 2470 PWs) bands (ev): -36.7314 -36.7314 -15.7385 -15.7385 -15.2420 -15.2420 -15.2307 -15.2307 -11.1652 -11.1650 -11.1625 -11.1625 -8.2078 -8.2078 -8.1972 -8.1972 -8.1946 -8.1943 1.7774 1.7774 7.2383 7.2383 9.4709 9.4709 9.9019 9.9259 10.8390 10.8390 10.9537 10.9985 11.0188 11.0188 12.0346 12.0346 12.2634 12.2798 14.5122 14.5122 14.7803 14.7803 14.7972 14.8122 15.3193 15.3193 k = 0.4432 0.2559 0.1809 ( 2464 PWs) bands (ev): -36.7314 -36.7314 -15.7386 -15.7386 -15.2423 -15.2423 -15.2309 -15.2309 -11.1650 -11.1649 -11.1623 -11.1623 -8.2077 -8.2077 -8.1970 -8.1970 -8.1942 -8.1939 1.7987 1.7987 7.1959 7.1959 9.4640 9.4640 9.9003 9.9204 10.8356 10.8356 10.9565 10.9942 11.0161 11.0161 12.0301 12.0301 12.2573 12.2713 14.5522 14.5522 14.7972 14.7972 14.8156 14.8282 15.2491 15.2491 k = 0.4545 0.2624 0.1856 ( 2470 PWs) bands (ev): -36.7314 -36.7314 -15.7388 -15.7388 -15.2426 -15.2426 -15.2310 -15.2310 -11.1649 -11.1648 -11.1622 -11.1622 -8.2076 -8.2076 -8.1969 -8.1969 -8.1940 -8.1937 1.8165 1.8165 7.1608 7.1608 9.4583 9.4583 9.8993 9.9154 10.8327 10.8327 10.9594 10.9898 11.0139 11.0139 12.0264 12.0264 12.2527 12.2640 14.5922 14.5922 14.8114 14.8114 14.8314 14.8416 15.1841 15.1841 k = 0.4659 0.2690 0.1902 ( 2470 PWs) bands (ev): -36.7314 -36.7314 -15.7389 -15.7389 -15.2428 -15.2428 -15.2311 -15.2311 -11.1648 -11.1647 -11.1621 -11.1621 -8.2075 -8.2075 -8.1968 -8.1968 -8.1937 -8.1936 1.8305 1.8305 7.1332 7.1332 9.4538 9.4538 9.8990 9.9111 10.8306 10.8306 10.9625 10.9854 11.0122 11.0122 12.0236 12.0236 12.2494 12.2580 14.6309 14.6309 14.8227 14.8227 14.8443 14.8519 15.1259 15.1259 k = 0.4773 0.2756 0.1948 ( 2470 PWs) bands (ev): -36.7314 -36.7314 -15.7390 -15.7390 -15.2429 -15.2429 -15.2311 -15.2311 -11.1647 -11.1646 -11.1620 -11.1620 -8.2074 -8.2074 -8.1967 -8.1967 -8.1935 -8.1934 1.8407 1.8407 7.1134 7.1134 9.4506 9.4506 9.8993 9.9075 10.8290 10.8290 10.9658 10.9812 11.0110 11.0110 12.0216 12.0216 12.2476 12.2534 14.6652 14.6652 14.8311 14.8311 14.8540 14.8591 15.0774 15.0774 k = 0.4886 0.2821 0.1995 ( 2470 PWs) bands (ev): -36.7314 -36.7314 -15.7390 -15.7390 -15.2430 -15.2430 -15.2312 -15.2312 -11.1646 -11.1646 -11.1620 -11.1620 -8.2074 -8.2074 -8.1967 -8.1967 -8.1934 -8.1934 1.8469 1.8469 7.1014 7.1014 9.4487 9.4487 9.9004 9.9045 10.8281 10.8281 10.9694 10.9771 11.0103 11.0103 12.0204 12.0204 12.2470 12.2500 14.6903 14.6903 14.8362 14.8362 14.8604 14.8630 15.0437 15.0437 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -36.7314 -36.7314 -15.7391 -15.7391 -15.2431 -15.2431 -15.2312 -15.2312 -11.1647 -11.1647 -11.1621 -11.1621 -8.2075 -8.2075 -8.1968 -8.1968 -8.1935 -8.1935 1.8489 1.8489 7.0974 7.0974 9.4481 9.4481 9.9021 9.9021 10.8277 10.8277 10.9731 10.9731 11.0100 11.0100 12.0200 12.0200 12.2477 12.2477 14.6998 14.6998 14.8379 14.8379 14.8634 14.8634 15.0313 15.0313 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -36.7314 -36.7314 -15.7391 -15.7391 -15.2431 -15.2431 -15.2312 -15.2312 -11.1647 -11.1647 -11.1621 -11.1621 -8.2075 -8.2075 -8.1968 -8.1968 -8.1935 -8.1935 1.8489 1.8489 7.0974 7.0974 9.4481 9.4481 9.9021 9.9021 10.8277 10.8277 10.9731 10.9731 11.0100 11.0100 12.0200 12.0200 12.2477 12.2477 14.6998 14.6998 14.8379 14.8379 14.8634 14.8634 15.0313 15.0313 k = 0.5039 0.2774 0.2105 ( 2476 PWs) bands (ev): -36.7314 -36.7314 -15.7391 -15.7391 -15.2431 -15.2430 -15.2312 -15.2312 -11.1646 -11.1646 -11.1620 -11.1620 -8.2074 -8.2074 -8.1968 -8.1967 -8.1934 -8.1934 1.8491 1.8493 7.0949 7.1026 9.4407 9.4538 9.9015 9.9015 10.8271 10.8286 10.9733 10.9733 11.0088 11.0115 12.0146 12.0221 12.2455 12.2456 14.6809 14.7085 14.8312 14.8488 14.8675 14.8709 15.0300 15.0343 k = 0.5078 0.2661 0.2169 ( 2474 PWs) bands (ev): -36.7314 -36.7314 -15.7391 -15.7390 -15.2431 -15.2429 -15.2312 -15.2312 -11.1647 -11.1647 -11.1620 -11.1620 -8.2074 -8.2074 -8.1968 -8.1966 -8.1934 -8.1934 1.8500 1.8504 7.0950 7.1105 9.4316 9.4580 9.8996 9.8997 10.8267 10.8296 10.9740 10.9741 11.0075 11.0129 12.0059 12.0208 12.2388 12.2391 14.6580 14.7047 14.8336 14.8519 14.8796 14.8952 15.0312 15.0400 k = 0.5117 0.2548 0.2233 ( 2472 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7390 -15.2430 -15.2428 -15.2312 -15.2312 -11.1647 -11.1647 -11.1621 -11.1620 -8.2074 -8.2073 -8.1968 -8.1965 -8.1935 -8.1935 1.8515 1.8522 7.0978 7.1211 9.4206 9.4605 9.8965 9.8970 10.8266 10.8309 10.9752 10.9754 11.0063 11.0144 11.9936 12.0163 12.2277 12.2289 14.6346 14.6933 14.8377 14.8525 14.8990 14.9236 15.0383 15.0509 k = 0.5156 0.2436 0.2296 ( 2474 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7389 -15.2430 -15.2427 -15.2313 -15.2313 -11.1647 -11.1647 -11.1622 -11.1620 -8.2075 -8.2073 -8.1969 -8.1965 -8.1936 -8.1936 1.8537 1.8545 7.1032 7.1344 9.4075 9.4614 9.8924 9.8934 10.8265 10.8324 10.9767 10.9771 11.0052 11.0160 11.9778 12.0085 12.2127 12.2154 14.6124 14.6794 14.8403 14.8528 14.9185 14.9451 15.0579 15.0714 k = 0.5195 0.2323 0.2360 ( 2468 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7389 -15.2430 -15.2426 -15.2313 -15.2313 -11.1647 -11.1647 -11.1622 -11.1621 -8.2074 -8.2072 -8.1969 -8.1964 -8.1938 -8.1938 1.8565 1.8575 7.1111 7.1505 9.3922 9.4605 9.8874 9.8893 10.8267 10.8342 10.9785 10.9794 11.0043 11.0176 11.9583 11.9973 12.1945 12.1993 14.5916 14.6656 14.8418 14.8532 14.9311 14.9541 15.0943 15.1049 k = 0.5234 0.2210 0.2424 ( 2464 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7388 -15.2429 -15.2425 -15.2313 -15.2313 -11.1647 -11.1647 -11.1623 -11.1621 -8.2074 -8.2072 -8.1969 -8.1963 -8.1939 -8.1939 1.8599 1.8611 7.1215 7.1692 9.3745 9.4576 9.8818 9.8849 10.8269 10.8361 10.9805 10.9822 11.0035 11.0194 11.9354 11.9826 12.1738 12.1812 14.5722 14.6525 14.8427 14.8537 14.9357 14.9537 15.1433 15.1501 k = 0.5273 0.2097 0.2488 ( 2466 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7388 -15.2428 -15.2424 -15.2314 -15.2314 -11.1648 -11.1648 -11.1624 -11.1622 -8.2075 -8.2072 -8.1969 -8.1962 -8.1941 -8.1941 1.8638 1.8652 7.1342 7.1906 9.3540 9.4526 9.8758 9.8805 10.8272 10.8382 10.9825 10.9854 11.0032 11.0213 11.9091 11.9643 12.1513 12.1616 14.5538 14.6401 14.8434 14.8543 14.9344 14.9485 15.1995 15.2032 k = 0.5312 0.1985 0.2552 ( 2469 PWs) bands (ev): -36.7314 -36.7313 -15.7393 -15.7387 -15.2428 -15.2422 -15.2315 -15.2315 -11.1649 -11.1649 -11.1626 -11.1623 -8.2075 -8.2072 -8.1969 -8.1962 -8.1944 -8.1943 1.8684 1.8700 7.1493 7.2147 9.3308 9.4453 9.8699 9.8763 10.8274 10.8404 10.9843 10.9891 11.0034 11.0233 11.8797 11.9424 12.1278 12.1410 14.5359 14.6280 14.8440 14.8551 14.9298 14.9410 15.2595 15.2608 k = 0.5352 0.1872 0.2615 ( 2466 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7387 -15.2426 -15.2420 -15.2316 -15.2316 -11.1649 -11.1649 -11.1627 -11.1624 -8.2075 -8.2071 -8.1970 -8.1962 -8.1946 -8.1944 1.8734 1.8752 7.1666 7.2414 9.3045 9.4354 9.8644 9.8726 10.8277 10.8427 10.9856 10.9933 11.0044 11.0255 11.8477 11.9171 12.1040 12.1197 14.5179 14.6154 14.8446 14.8560 14.9236 14.9326 15.3199 15.3211 k = 0.5391 0.1759 0.2679 ( 2458 PWs) bands (ev): -36.7313 -36.7313 -15.7392 -15.7386 -15.2425 -15.2418 -15.2317 -15.2316 -11.1650 -11.1649 -11.1628 -11.1625 -8.2075 -8.2071 -8.1970 -8.1962 -8.1947 -8.1945 1.8790 1.8810 7.1861 7.2706 9.2753 9.4227 9.8596 9.8696 10.8278 10.8451 10.9862 10.9979 11.0065 11.0280 11.8136 11.8888 12.0802 12.0978 14.4991 14.6017 14.8453 14.8569 14.9171 14.9243 15.3784 15.3822 k = 0.5430 0.1646 0.2743 ( 2458 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7386 -15.2424 -15.2416 -15.2318 -15.2317 -11.1650 -11.1650 -11.1629 -11.1626 -8.2076 -8.2071 -8.1971 -8.1963 -8.1949 -8.1945 1.8851 1.8872 7.2075 7.3024 9.2429 9.4073 9.8559 9.8675 10.8278 10.8474 10.9862 11.0028 11.0095 11.0307 11.7778 11.8578 12.0565 12.0755 14.4789 14.5861 14.8462 14.8579 14.9112 14.9168 15.4339 15.4406 k = 0.5469 0.1534 0.2807 ( 2462 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7385 -15.2422 -15.2414 -15.2319 -15.2318 -11.1652 -11.1651 -11.1631 -11.1627 -8.2077 -8.2071 -8.1972 -8.1966 -8.1951 -8.1945 1.8915 1.8939 7.2307 7.3366 9.2075 9.3889 9.8535 9.8663 10.8275 10.8496 10.9857 11.0081 11.0134 11.0336 11.7409 11.8247 12.0330 12.0527 14.4569 14.5678 14.8476 14.8590 14.9066 14.9107 15.4844 15.4942 k = 0.5508 0.1421 0.2870 ( 2458 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7385 -15.2421 -15.2412 -15.2320 -15.2319 -11.1653 -11.1652 -11.1632 -11.1629 -8.2077 -8.2071 -8.1974 -8.1968 -8.1951 -8.1944 1.8984 1.9009 7.2556 7.3732 9.1693 9.3680 9.8526 9.8664 10.8270 10.8517 10.9849 11.0137 11.0178 11.0369 11.7033 11.7902 12.0098 12.0297 14.4324 14.5464 14.8496 14.8603 14.9038 14.9066 15.5276 15.5405 k = 0.5547 0.1308 0.2934 ( 2457 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7384 -15.2419 -15.2410 -15.2322 -15.2321 -11.1654 -11.1653 -11.1634 -11.1630 -8.2078 -8.2071 -8.1977 -8.1972 -8.1951 -8.1942 1.9056 1.9083 7.2821 7.4121 9.1284 9.3445 9.8532 9.8675 10.8262 10.8535 10.9841 11.0194 11.0226 11.0407 11.6654 11.7549 11.9868 12.0063 14.4053 14.5215 14.8527 14.8618 14.9030 14.9046 15.5616 15.5770 k = 0.5586 0.1195 0.2998 ( 2459 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7384 -15.2417 -15.2407 -15.2323 -15.2322 -11.1655 -11.1654 -11.1636 -11.1632 -8.2079 -8.2071 -8.1981 -8.1976 -8.1951 -8.1941 1.9131 1.9159 7.3098 7.4532 9.0850 9.3188 9.8554 9.8697 10.8249 10.8549 10.9833 11.0252 11.0278 11.0448 11.6277 11.7193 11.9638 11.9826 14.3755 14.4930 14.8568 14.8639 14.9044 14.9048 15.5848 15.6020 k = 0.5625 0.1083 0.3062 ( 2457 PWs) bands (ev): -36.7313 -36.7312 -15.7393 -15.7384 -15.2416 -15.2405 -15.2324 -15.2323 -11.1656 -11.1655 -11.1637 -11.1633 -8.2080 -8.2072 -8.1984 -8.1980 -8.1950 -8.1938 1.9208 1.9238 7.3385 7.4964 9.0395 9.2914 9.8592 9.8731 10.8233 10.8558 10.9827 11.0311 11.0332 11.0496 11.5905 11.6838 11.9410 11.9588 14.3430 14.4613 14.8620 14.8667 14.9070 14.9078 15.5968 15.6145 k = 0.5664 0.0970 0.3126 ( 2456 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7383 -15.2414 -15.2402 -15.2326 -15.2324 -11.1657 -11.1656 -11.1639 -11.1635 -8.2081 -8.2072 -8.1989 -8.1984 -8.1948 -8.1936 1.9286 1.9318 7.3681 7.5415 8.9923 9.2628 9.8644 9.8776 10.8211 10.8560 10.9824 11.0368 11.0388 11.0549 11.5539 11.6488 11.9182 11.9349 14.3080 14.4266 14.8681 14.8707 14.9110 14.9135 15.5981 15.6153 k = 0.5703 0.0857 0.3189 ( 2460 PWs) bands (ev): -36.7312 -36.7312 -15.7393 -15.7383 -15.2412 -15.2400 -15.2327 -15.2326 -11.1659 -11.1658 -11.1641 -11.1637 -8.2082 -8.2073 -8.1993 -8.1989 -8.1947 -8.1934 1.9366 1.9399 7.3982 7.5883 8.9436 9.2334 9.8709 9.8831 10.8185 10.8555 10.9825 11.0423 11.0446 11.0608 11.5183 11.6145 11.8955 11.9108 14.2708 14.3895 14.8749 14.8756 14.9167 14.9212 15.5902 15.6063 k = 0.5742 0.0744 0.3253 ( 2458 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7382 -15.2410 -15.2398 -15.2329 -15.2327 -11.1660 -11.1659 -11.1643 -11.1639 -8.2083 -8.2073 -8.1998 -8.1993 -8.1945 -8.1931 1.9446 1.9480 7.4284 7.6367 8.8939 9.2040 9.8786 9.8896 10.8154 10.8541 10.9830 11.0476 11.0504 11.0673 11.4838 11.5812 11.8730 11.8868 14.2319 14.3504 14.8816 14.8823 14.9239 14.9312 15.5751 15.5900 k = 0.5781 0.0631 0.3317 ( 2462 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7382 -15.2409 -15.2395 -15.2331 -15.2328 -11.1661 -11.1660 -11.1645 -11.1641 -8.2085 -8.2074 -8.2003 -8.1998 -8.1943 -8.1929 1.9525 1.9560 7.4584 7.6864 8.8437 9.1751 9.8875 9.8970 10.8118 10.8519 10.9842 11.0527 11.0563 11.0742 11.4505 11.5490 11.8508 11.8630 14.1917 14.3099 14.8885 14.8899 14.9327 14.9431 15.5551 15.5689 k = 0.5820 0.0519 0.3381 ( 2458 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7382 -15.2407 -15.2393 -15.2332 -15.2329 -11.1662 -11.1661 -11.1647 -11.1643 -8.2086 -8.2074 -8.2008 -8.2003 -8.1940 -8.1926 1.9603 1.9640 7.4879 7.7371 8.7937 9.1474 9.8974 9.9053 10.8078 10.8488 10.9859 11.0576 11.0622 11.0814 11.4185 11.5181 11.8289 11.8395 14.1506 14.2684 14.8961 14.8978 14.9430 14.9570 15.5318 15.5451 k = 0.5859 0.0406 0.3445 ( 2458 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7381 -15.2405 -15.2390 -15.2333 -15.2329 -11.1663 -11.1662 -11.1649 -11.1645 -8.2087 -8.2075 -8.2014 -8.2008 -8.1938 -8.1923 1.9679 1.9716 7.5163 7.7882 8.7443 9.1215 9.9082 9.9144 10.8034 10.8448 10.9881 11.0623 11.0681 11.0890 11.3881 11.4884 11.8076 11.8164 14.1090 14.2264 14.9043 14.9060 14.9545 14.9724 15.5068 15.5201 k = 0.5898 0.0293 0.3508 ( 2454 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7381 -15.2403 -15.2388 -15.2334 -15.2330 -11.1663 -11.1663 -11.1651 -11.1646 -8.2088 -8.2075 -8.2018 -8.2013 -8.1935 -8.1920 1.9752 1.9790 7.5433 7.8393 8.6965 9.0981 9.9198 9.9241 10.7987 10.8401 10.9908 11.0666 11.0739 11.0966 11.3592 11.4602 11.7869 11.7939 14.0673 14.1844 14.9130 14.9146 14.9673 14.9891 15.4812 15.4950 k = 0.5938 0.0180 0.3572 ( 2456 PWs) bands (ev): -36.7312 -36.7311 -15.7391 -15.7380 -15.2402 -15.2386 -15.2335 -15.2331 -11.1664 -11.1664 -11.1653 -11.1649 -8.2090 -8.2076 -8.2024 -8.2018 -8.1932 -8.1917 1.9821 1.9860 7.5685 7.8894 8.6512 9.0779 9.9322 9.9346 10.7936 10.8348 10.9939 11.0705 11.0795 11.1044 11.3319 11.4334 11.7668 11.7720 14.0260 14.1428 14.9220 14.9235 14.9809 15.0066 15.4558 15.4709 k = 0.5977 0.0068 0.3636 ( 2453 PWs) bands (ev): -36.7311 -36.7311 -15.7391 -15.7380 -15.2400 -15.2384 -15.2336 -15.2331 -11.1665 -11.1665 -11.1654 -11.1651 -8.2091 -8.2077 -8.2029 -8.2022 -8.1929 -8.1914 1.9886 1.9925 7.5913 7.9373 8.6100 9.0616 9.9451 9.9456 10.7885 10.8290 10.9974 11.0738 11.0850 11.1122 11.3064 11.4080 11.7475 11.7510 13.9853 14.1018 14.9313 14.9328 14.9952 15.0248 15.4315 15.4482 k = 0.6016-0.0045 0.3700 ( 2454 PWs) bands (ev): -36.7311 -36.7311 -15.7391 -15.7380 -15.2399 -15.2382 -15.2337 -15.2332 -11.1666 -11.1666 -11.1655 -11.1653 -8.2092 -8.2078 -8.2034 -8.2027 -8.1927 -8.1912 1.9944 1.9984 7.6115 7.9811 8.5748 9.0495 9.9573 9.9586 10.7833 10.8230 11.0009 11.0762 11.0902 11.1200 11.2828 11.3841 11.7292 11.7310 13.9455 14.0617 14.9408 14.9424 15.0096 15.0432 15.4088 15.4277 k = 0.6055-0.0158 0.3764 ( 2456 PWs) bands (ev): -36.7311 -36.7311 -15.7391 -15.7379 -15.2398 -15.2381 -15.2338 -15.2332 -11.1668 -11.1667 -11.1657 -11.1655 -8.2094 -8.2079 -8.2039 -8.2031 -8.1924 -8.1909 1.9996 2.0036 7.6287 8.0184 8.5483 9.0423 9.9694 9.9726 10.7782 10.8169 11.0045 11.0775 11.0951 11.1277 11.2613 11.3617 11.7119 11.7121 13.9068 14.0229 14.9504 14.9522 15.0239 15.0612 15.3884 15.4099 k = 0.6094-0.0271 0.3827 ( 2462 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7379 -15.2397 -15.2379 -15.2338 -15.2332 -11.1670 -11.1668 -11.1658 -11.1658 -8.2096 -8.2080 -8.2044 -8.2036 -8.1922 -8.1907 2.0040 2.0081 7.6426 8.0460 8.5338 9.0403 9.9819 9.9870 10.7733 10.8110 11.0079 11.0774 11.0997 11.1351 11.2422 11.3409 11.6945 11.6957 13.8695 13.9854 14.9600 14.9622 15.0376 15.0783 15.3709 15.3953 k = 0.6133-0.0383 0.3891 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7379 -15.2396 -15.2378 -15.2338 -15.2331 -11.1672 -11.1668 -11.1659 -11.1658 -8.2097 -8.2081 -8.2047 -8.2040 -8.1919 -8.1904 2.0076 2.0116 7.6533 8.0611 8.5341 9.0437 9.9949 10.0018 10.7688 10.8055 11.0110 11.0755 11.1039 11.1420 11.2260 11.3218 11.6784 11.6807 13.8336 13.9494 14.9693 14.9722 15.0500 15.0937 15.3570 15.3843 k = 0.6172-0.0496 0.3955 ( 2456 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2395 -15.2378 -15.2337 -15.2331 -11.1673 -11.1668 -11.1661 -11.1659 -8.2098 -8.2083 -8.2051 -8.2044 -8.1917 -8.1902 2.0102 2.0142 7.6608 8.0628 8.5504 9.0525 10.0083 10.0169 10.7648 10.8005 11.0137 11.0716 11.1075 11.1479 11.2132 11.3046 11.6638 11.6669 13.7993 13.9151 14.9782 14.9818 15.0608 15.1066 15.3474 15.3775 k = 0.6211-0.0609 0.4019 ( 2452 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2395 -15.2377 -15.2336 -15.2330 -11.1675 -11.1669 -11.1663 -11.1659 -8.2099 -8.2084 -8.2054 -8.2048 -8.1914 -8.1900 2.0117 2.0156 7.6653 8.0526 8.5811 9.0666 10.0220 10.0322 10.7616 10.7963 11.0158 11.0656 11.1103 11.1518 11.2049 11.2895 11.6508 11.6545 13.7668 13.8826 14.9863 14.9909 15.0695 15.1161 15.3423 15.3747 k = 0.6250-0.0722 0.4082 ( 2440 PWs) bands (ev): -36.7311 -36.7311 -15.7388 -15.7377 -15.2394 -15.2377 -15.2334 -15.2328 -11.1676 -11.1669 -11.1663 -11.1658 -8.2100 -8.2085 -8.2056 -8.2050 -8.1912 -8.1897 2.0120 2.0159 7.6671 8.0339 8.6229 9.0858 10.0360 10.0477 10.7591 10.7930 11.0171 11.0573 11.1121 11.1528 11.2020 11.2770 11.6395 11.6434 13.7360 13.8518 14.9929 14.9988 15.0760 15.1219 15.3399 15.3741 k = 0.6250-0.0722 0.4082 ( 2440 PWs) bands (ev): -36.7311 -36.7311 -15.7388 -15.7377 -15.2394 -15.2377 -15.2334 -15.2328 -11.1676 -11.1669 -11.1663 -11.1658 -8.2100 -8.2085 -8.2056 -8.2050 -8.1912 -8.1897 2.0120 2.0159 7.6671 8.0339 8.6229 9.0858 10.0360 10.0477 10.7591 10.7930 11.0171 11.0573 11.1121 11.1528 11.2020 11.2770 11.6395 11.6434 13.7360 13.8518 14.9929 14.9988 15.0760 15.1219 15.3398 15.3740 k = 0.6181-0.0682 0.4196 ( 2445 PWs) bands (ev): -36.7311 -36.7311 -15.7388 -15.7377 -15.2394 -15.2377 -15.2334 -15.2329 -11.1677 -11.1670 -11.1663 -11.1658 -8.2100 -8.2086 -8.2056 -8.2050 -8.1912 -8.1898 2.0122 2.0161 7.6678 8.0349 8.6230 9.0861 10.0341 10.0455 10.7588 10.7929 11.0168 11.0566 11.1118 11.1527 11.2010 11.2733 11.6354 11.6504 13.7393 13.8555 14.9899 14.9958 15.0771 15.1223 15.3310 15.3701 k = 0.6111-0.0642 0.4309 ( 2450 PWs) bands (ev): -36.7311 -36.7311 -15.7388 -15.7377 -15.2394 -15.2377 -15.2335 -15.2329 -11.1677 -11.1670 -11.1663 -11.1658 -8.2101 -8.2087 -8.2055 -8.2049 -8.1913 -8.1898 2.0128 2.0167 7.6698 8.0379 8.6234 9.0872 10.0284 10.0390 10.7578 10.7926 11.0161 11.0545 11.1108 11.1522 11.1979 11.2626 11.6325 11.6615 13.7492 13.8665 14.9809 14.9880 15.0796 15.1234 15.3111 15.3439 k = 0.6042-0.0601 0.4423 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2394 -15.2377 -15.2336 -15.2330 -11.1678 -11.1671 -11.1664 -11.1659 -8.2103 -8.2088 -8.2055 -8.2048 -8.1914 -8.1899 2.0137 2.0177 7.6732 8.0429 8.6239 9.0890 10.0191 10.0283 10.7561 10.7920 11.0150 11.0510 11.1092 11.1514 11.1929 11.2469 11.6317 11.6748 13.7656 13.8844 14.9665 14.9768 15.0818 15.1242 15.2857 15.3121 k = 0.5972-0.0561 0.4536 ( 2462 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2393 -15.2377 -15.2337 -15.2331 -11.1678 -11.1671 -11.1664 -11.1658 -8.2105 -8.2089 -8.2052 -8.2046 -8.1915 -8.1900 2.0150 2.0190 7.6778 8.0500 8.6244 9.0914 10.0061 10.0136 10.7539 10.7913 11.0132 11.0463 11.1070 11.1500 11.1862 11.2289 11.6325 11.6890 13.7883 13.9085 14.9479 14.9628 15.0820 15.1239 15.2577 15.2785 k = 0.5903-0.0521 0.4649 ( 2464 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2393 -15.2376 -15.2338 -15.2332 -11.1679 -11.1671 -11.1664 -11.1658 -8.2107 -8.2091 -8.2050 -8.2043 -8.1916 -8.1901 2.0166 2.0206 7.6837 8.0589 8.6247 9.0944 9.9894 9.9952 10.7511 10.7904 11.0107 11.0405 11.1044 11.1472 11.1775 11.2121 11.6343 11.7032 13.8168 13.9382 14.9260 14.9464 15.0783 15.1207 15.2299 15.2463 k = 0.5833-0.0481 0.4763 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2392 -15.2375 -15.2339 -15.2333 -11.1679 -11.1671 -11.1663 -11.1657 -8.2108 -8.2092 -8.2047 -8.2040 -8.1917 -8.1902 2.0185 2.0226 7.6906 8.0699 8.6246 9.0977 9.9687 9.9743 10.7480 10.7893 11.0073 11.0341 11.1013 11.1411 11.1678 11.1992 11.6369 11.7169 13.8507 13.9725 14.9015 14.9282 15.0693 15.1120 15.2060 15.2186 k = 0.5764-0.0441 0.4876 ( 2462 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2391 -15.2375 -15.2340 -15.2334 -11.1680 -11.1672 -11.1663 -11.1656 -8.2110 -8.2093 -8.2044 -8.2037 -8.1919 -8.1903 2.0207 2.0248 7.6984 8.0828 8.6238 9.1013 9.9437 9.9517 10.7446 10.7880 11.0024 11.0279 11.0979 11.1294 11.1609 11.1908 11.6398 11.7296 13.8894 14.0104 14.8746 14.9088 15.0540 15.0953 15.1889 15.1975 k = 0.5694-0.0401 0.4990 ( 2462 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7378 -15.2390 -15.2374 -15.2342 -15.2335 -11.1680 -11.1672 -11.1663 -11.1655 -8.2111 -8.2094 -8.2041 -8.2033 -8.1920 -8.1904 2.0231 2.0272 7.7069 8.0975 8.6219 9.1049 9.9157 9.9275 10.7410 10.7865 10.9962 11.0224 11.0942 11.1141 11.1572 11.1851 11.6428 11.7409 13.9322 14.0511 14.8455 14.8888 15.0330 15.0713 15.1781 15.1839 k = 0.5625-0.0361 0.5103 ( 2465 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7378 -15.2389 -15.2373 -15.2343 -15.2337 -11.1680 -11.1672 -11.1663 -11.1655 -8.2113 -8.2095 -8.2038 -8.2030 -8.1922 -8.1905 2.0256 2.0298 7.7160 8.1141 8.6185 9.1083 9.8857 9.9023 10.7374 10.7849 10.9888 11.0178 11.0898 11.0992 11.1551 11.1812 11.6457 11.7508 13.9784 14.0936 14.8144 14.8689 15.0089 15.0432 15.1702 15.1768 k = 0.5556-0.0321 0.5217 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7378 -15.2387 -15.2371 -15.2345 -15.2338 -11.1680 -11.1672 -11.1662 -11.1654 -8.2114 -8.2095 -8.2034 -8.2026 -8.1924 -8.1906 2.0282 2.0325 7.7253 8.1324 8.6132 9.1114 9.8549 9.8765 10.7339 10.7832 10.9811 11.0139 11.0820 11.0891 11.1537 11.1784 11.6486 11.7593 14.0271 14.1369 14.7814 14.8495 14.9841 15.0137 15.1639 15.1732 k = 0.5486-0.0281 0.5330 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7379 -15.2386 -15.2370 -15.2347 -15.2340 -11.1680 -11.1672 -11.1662 -11.1654 -8.2115 -8.2096 -8.2031 -8.2023 -8.1926 -8.1908 2.0309 2.0352 7.7347 8.1524 8.6056 9.1138 9.8244 9.8512 10.7306 10.7815 10.9738 11.0105 11.0713 11.0841 11.1527 11.1762 11.6512 11.7664 14.0776 14.1799 14.7466 14.8313 14.9606 14.9844 15.1590 15.1708 k = 0.5417-0.0241 0.5443 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7379 -15.2384 -15.2369 -15.2348 -15.2342 -11.1680 -11.1672 -11.1661 -11.1653 -8.2116 -8.2097 -8.2029 -8.2019 -8.1928 -8.1909 2.0335 2.0378 7.7438 8.1737 8.5954 9.1155 9.7955 9.8272 10.7276 10.7798 10.9672 11.0073 11.0621 11.0798 11.1519 11.1747 11.6534 11.7723 14.1290 14.2216 14.7104 14.8147 14.9393 14.9562 15.1548 15.1689 k = 0.5347-0.0200 0.5557 ( 2462 PWs) bands (ev): -36.7311 -36.7311 -15.7391 -15.7379 -15.2383 -15.2367 -15.2350 -15.2344 -11.1681 -11.1672 -11.1661 -11.1653 -8.2117 -8.2098 -8.2026 -8.2017 -8.1930 -8.1910 2.0359 2.0403 7.7524 8.1961 8.5826 9.1163 9.7691 9.8053 10.7250 10.7781 10.9618 11.0045 11.0551 11.0757 11.1513 11.1735 11.6554 11.7769 14.1805 14.2606 14.6730 14.8003 14.9210 14.9302 15.1510 15.1671 k = 0.5278-0.0160 0.5670 ( 2470 PWs) bands (ev): -36.7311 -36.7311 -15.7391 -15.7379 -15.2382 -15.2366 -15.2352 -15.2347 -11.1682 -11.1673 -11.1662 -11.1653 -8.2118 -8.2099 -8.2025 -8.2014 -8.1932 -8.1912 2.0381 2.0425 7.7600 8.2191 8.5672 9.1161 9.7465 9.7865 10.7228 10.7766 10.9575 11.0021 11.0503 11.0718 11.1509 11.1725 11.6569 11.7805 14.2309 14.2955 14.6348 14.7884 14.9044 14.9086 15.1476 15.1653 k = 0.5208-0.0120 0.5784 ( 2477 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7380 -15.2380 -15.2364 -15.2354 -15.2349 -11.1682 -11.1673 -11.1662 -11.1653 -8.2120 -8.2100 -8.2024 -8.2013 -8.1933 -8.1913 2.0400 2.0444 7.7664 8.2416 8.5503 9.1153 9.7283 9.7714 10.7211 10.7753 10.9545 11.0000 11.0475 11.0679 11.1506 11.1718 11.6581 11.7831 14.2791 14.3248 14.5969 14.7794 14.8860 14.8961 15.1445 15.1637 k = 0.5139-0.0080 0.5897 ( 2475 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7380 -15.2379 -15.2362 -15.2356 -15.2351 -11.1682 -11.1673 -11.1662 -11.1653 -8.2120 -8.2100 -8.2022 -8.2011 -8.1934 -8.1913 2.0414 2.0459 7.7713 8.2619 8.5335 9.1140 9.7151 9.7605 10.7198 10.7743 10.9526 10.9984 11.0464 11.0644 11.1504 11.1713 11.6590 11.7848 14.3226 14.3469 14.5610 14.7734 14.8711 14.8883 15.1420 15.1623 k = 0.5069-0.0040 0.6010 ( 2469 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7379 -15.2378 -15.2360 -15.2357 -15.2353 -11.1682 -11.1673 -11.1661 -11.1652 -8.2120 -8.2099 -8.2021 -8.2009 -8.1935 -8.1913 2.0424 2.0469 7.7743 8.2771 8.5200 9.1127 9.7073 9.7539 10.7190 10.7736 10.9516 10.9974 11.0467 11.0616 11.1504 11.1710 11.6595 11.7858 14.3566 14.3606 14.5318 14.7701 14.8619 14.8840 15.1403 15.1613 k = 0.5000-0.0000 0.6124 ( 2468 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7379 -15.2378 -15.2359 -15.2358 -15.2353 -11.1682 -11.1673 -11.1661 -11.1652 -8.2120 -8.2099 -8.2021 -8.2009 -8.1935 -8.1913 2.0428 2.0473 7.7754 8.2831 8.5145 9.1122 9.7047 9.7517 10.7188 10.7734 10.9514 10.9971 11.0471 11.0603 11.1504 11.1709 11.6597 11.7862 14.3651 14.3706 14.5195 14.7692 14.8589 14.8827 15.1396 15.1609 k = 0.5000-0.0000 0.6124 ( 2468 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7379 -15.2378 -15.2359 -15.2358 -15.2353 -11.1682 -11.1673 -11.1661 -11.1652 -8.2120 -8.2099 -8.2021 -8.2009 -8.1935 -8.1913 2.0428 2.0473 7.7754 8.2831 8.5145 9.1122 9.7047 9.7517 10.7188 10.7734 10.9514 10.9971 11.0471 11.0603 11.1504 11.1709 11.6597 11.7862 14.3651 14.3706 14.5195 14.7692 14.8589 14.8827 15.1396 15.1609 k = 0.5000 0.0080 0.6010 ( 2470 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7379 -15.2378 -15.2359 -15.2359 -15.2353 -11.1682 -11.1673 -11.1661 -11.1652 -8.2120 -8.2099 -8.2021 -8.2009 -8.1935 -8.1913 2.0424 2.0468 7.7742 8.2821 8.5130 9.1111 9.7069 9.7535 10.7193 10.7739 10.9520 10.9976 11.0480 11.0612 11.1504 11.1709 11.6599 11.7864 14.3654 14.3706 14.5187 14.7645 14.8652 14.8861 15.1406 15.1615 k = 0.5000 0.0160 0.5897 ( 2474 PWs) bands (ev): -36.7311 -36.7310 -15.7392 -15.7380 -15.2379 -15.2360 -15.2358 -15.2351 -11.1682 -11.1673 -11.1661 -11.1653 -8.2119 -8.2099 -8.2021 -8.2009 -8.1935 -8.1914 2.0411 2.0456 7.7708 8.2786 8.5091 9.1079 9.7134 9.7587 10.7208 10.7754 10.9539 10.9994 11.0497 11.0647 11.1503 11.1712 11.6607 11.7873 14.3665 14.3707 14.5164 14.7534 14.8815 14.8959 15.1434 15.1631 k = 0.5000 0.0241 0.5784 ( 2474 PWs) bands (ev): -36.7311 -36.7311 -15.7392 -15.7380 -15.2381 -15.2362 -15.2357 -15.2350 -11.1681 -11.1672 -11.1661 -11.1652 -8.2119 -8.2098 -8.2020 -8.2009 -8.1936 -8.1914 2.0391 2.0436 7.7649 8.2712 8.5049 9.1032 9.7233 9.7669 10.7235 10.7778 10.9566 11.0028 11.0511 11.0721 11.1502 11.1718 11.6620 11.7888 14.3683 14.3710 14.5131 14.7398 14.9034 14.9115 15.1484 15.1659 k = 0.5000 0.0321 0.5670 ( 2470 PWs) bands (ev): -36.7311 -36.7311 -15.7392 -15.7380 -15.2382 -15.2364 -15.2355 -15.2348 -11.1680 -11.1671 -11.1660 -11.1652 -8.2117 -8.2097 -8.2020 -8.2008 -8.1936 -8.1915 2.0364 2.0408 7.7567 8.2579 8.5030 9.0976 9.7358 9.7775 10.7273 10.7811 10.9595 11.0080 11.0517 11.0834 11.1501 11.1732 11.6639 11.7910 14.3709 14.3719 14.5093 14.7258 14.9281 14.9318 15.1557 15.1700 k = 0.5000 0.0401 0.5557 ( 2464 PWs) bands (ev): -36.7311 -36.7311 -15.7392 -15.7379 -15.2383 -15.2366 -15.2354 -15.2346 -11.1679 -11.1670 -11.1660 -11.1651 -8.2115 -8.2095 -8.2019 -8.2007 -8.1937 -8.1916 2.0328 2.0373 7.7460 8.2370 8.5061 9.0921 9.7497 9.7900 10.7322 10.7853 10.9622 11.0152 11.0519 11.0978 11.1499 11.1761 11.6665 11.7942 14.3729 14.3753 14.5053 14.7122 14.9531 14.9560 15.1661 15.1761 k = 0.5000 0.0481 0.5443 ( 2464 PWs) bands (ev): -36.7311 -36.7311 -15.7392 -15.7380 -15.2385 -15.2369 -15.2352 -15.2344 -11.1678 -11.1670 -11.1659 -11.1650 -8.2113 -8.2094 -8.2018 -8.2006 -8.1938 -8.1917 2.0286 2.0330 7.7328 8.2081 8.5154 9.0874 9.7638 9.8035 10.7381 10.7902 10.9644 11.0240 11.0520 11.1142 11.1503 11.1812 11.6698 11.7983 14.3754 14.3804 14.5015 14.6993 14.9774 14.9816 15.1803 15.1849 k = 0.5000 0.0561 0.5330 ( 2464 PWs) bands (ev): -36.7311 -36.7311 -15.7392 -15.7380 -15.2387 -15.2371 -15.2350 -15.2343 -11.1677 -11.1669 -11.1658 -11.1650 -8.2112 -8.2092 -8.2016 -8.2005 -8.1939 -8.1918 2.0237 2.0280 7.7170 8.1718 8.5313 9.0843 9.7775 9.8172 10.7449 10.7957 10.9660 11.0329 11.0525 11.1286 11.1545 11.1899 11.6739 11.8037 14.3791 14.3868 14.4985 14.6872 15.0001 15.0054 15.1974 15.2001 k = 0.5000 0.0642 0.5217 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7392 -15.7380 -15.2389 -15.2373 -15.2348 -15.2341 -11.1676 -11.1668 -11.1657 -11.1648 -8.2109 -8.2090 -8.2015 -8.2003 -8.1940 -8.1919 2.0181 2.0224 7.6987 8.1296 8.5530 9.0836 9.7899 9.8305 10.7524 10.8018 10.9672 11.0398 11.0546 11.1337 11.1698 11.2033 11.6790 11.8104 14.3843 14.3948 14.4963 14.6761 15.0196 15.0253 15.2159 15.2258 k = 0.5000 0.0722 0.5103 ( 2456 PWs) bands (ev): -36.7311 -36.7311 -15.7392 -15.7380 -15.2391 -15.2376 -15.2346 -15.2339 -11.1674 -11.1667 -11.1656 -11.1647 -8.2107 -8.2088 -8.2013 -8.2002 -8.1941 -8.1921 2.0120 2.0163 7.6779 8.0829 8.5797 9.0857 9.8009 9.8426 10.7602 10.8081 10.9681 11.0427 11.0589 11.1323 11.1930 11.2223 11.6851 11.8187 14.3910 14.4044 14.4955 14.6658 15.0345 15.0397 15.2409 15.2585 k = 0.5000 0.0802 0.4990 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7392 -15.7380 -15.2393 -15.2378 -15.2344 -15.2338 -11.1673 -11.1666 -11.1655 -11.1647 -8.2104 -8.2086 -8.2011 -8.2000 -8.1942 -8.1922 2.0054 2.0096 7.6548 8.0330 8.6106 9.0909 9.8101 9.8532 10.7682 10.8146 10.9688 11.0428 11.0634 11.1285 11.2201 11.2470 11.6923 11.8286 14.3992 14.4155 14.4962 14.6564 15.0445 15.0486 15.2721 15.2976 k = 0.5000 0.0882 0.4876 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7392 -15.7380 -15.2396 -15.2381 -15.2342 -15.2336 -11.1672 -11.1665 -11.1654 -11.1646 -8.2102 -8.2084 -8.2009 -8.1999 -8.1944 -8.1924 1.9983 2.0024 7.6295 7.9809 8.6452 9.0995 9.8177 9.8618 10.7761 10.8210 10.9695 11.0418 11.0662 11.1235 11.2501 11.2769 11.7007 11.8403 14.4086 14.4282 14.4992 14.6479 15.0497 15.0532 15.3084 15.3417 k = 0.5000 0.0962 0.4763 ( 2454 PWs) bands (ev): -36.7311 -36.7311 -15.7392 -15.7380 -15.2398 -15.2383 -15.2340 -15.2335 -11.1670 -11.1663 -11.1652 -11.1644 -8.2099 -8.2082 -8.2006 -8.1997 -8.1945 -8.1926 1.9908 1.9948 7.6022 7.9276 8.6827 9.1114 9.8236 9.8686 10.7837 10.8272 10.9702 11.0403 11.0673 11.1177 11.2824 11.3114 11.7105 11.8539 14.4184 14.4426 14.5051 14.6402 15.0504 15.0551 15.3481 15.3889 k = 0.5000 0.1042 0.4649 ( 2464 PWs) bands (ev): -36.7312 -36.7311 -15.7392 -15.7381 -15.2400 -15.2386 -15.2338 -15.2333 -11.1669 -11.1663 -11.1651 -11.1644 -8.2097 -8.2081 -8.2004 -8.1995 -8.1947 -8.1929 1.9829 1.9869 7.5733 7.8735 8.7227 9.1265 9.8281 9.8733 10.7908 10.8329 10.9709 11.0384 11.0668 11.1111 11.3159 11.3501 11.7215 11.8690 14.4277 14.4589 14.5145 14.6332 15.0477 15.0547 15.3894 15.4366 k = 0.5000 0.1123 0.4536 ( 2458 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7381 -15.2402 -15.2388 -15.2336 -15.2332 -11.1667 -11.1661 -11.1649 -11.1642 -8.2094 -8.2079 -8.2001 -8.1992 -8.1948 -8.1930 1.9749 1.9787 7.5431 7.8195 8.7648 9.1446 9.8312 9.8764 10.7974 10.8381 10.9718 11.0362 11.0652 11.1040 11.3503 11.3925 11.7340 11.8859 14.4358 14.4775 14.5278 14.6272 15.0428 15.0524 15.4305 15.4811 k = 0.5000 0.1203 0.4423 ( 2458 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7381 -15.2404 -15.2391 -15.2334 -15.2330 -11.1665 -11.1660 -11.1648 -11.1641 -8.2092 -8.2077 -8.1998 -8.1990 -8.1950 -8.1932 1.9666 1.9703 7.5119 7.7658 8.8084 9.1653 9.8333 9.8779 10.8033 10.8426 10.9728 11.0337 11.0626 11.0963 11.3854 11.4375 11.7481 11.9041 14.4425 14.4983 14.5448 14.6219 15.0364 15.0484 15.4697 15.5192 k = 0.5000 0.1283 0.4309 ( 2452 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7382 -15.2406 -15.2394 -15.2332 -15.2329 -11.1663 -11.1659 -11.1646 -11.1639 -8.2089 -8.2075 -8.1994 -8.1987 -8.1951 -8.1934 1.9581 1.9618 7.4800 7.7129 8.8531 9.1882 9.8346 9.8781 10.8085 10.8463 10.9739 11.0309 11.0594 11.0884 11.4210 11.4845 11.7637 11.9235 14.4481 14.5212 14.5650 14.6176 15.0288 15.0431 15.5054 15.5503 k = 0.5000 0.1363 0.4196 ( 2454 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7382 -15.2409 -15.2396 -15.2331 -15.2327 -11.1662 -11.1658 -11.1644 -11.1638 -8.2087 -8.2074 -8.1991 -8.1984 -8.1952 -8.1936 1.9496 1.9532 7.4478 7.6611 8.8985 9.2127 9.8352 9.8774 10.8130 10.8492 10.9751 11.0280 11.0558 11.0801 11.4572 11.5325 11.7810 11.9438 14.4531 14.5459 14.5873 14.6142 15.0203 15.0368 15.5358 15.5747 k = 0.5000 0.1443 0.4082 ( 2448 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7382 -15.2411 -15.2399 -15.2328 -15.2326 -11.1660 -11.1656 -11.1642 -11.1636 -8.2085 -8.2073 -8.1987 -8.1981 -8.1953 -8.1938 1.9412 1.9445 7.4156 7.6107 8.9442 9.2384 9.8355 9.8761 10.8168 10.8513 10.9764 11.0250 11.0519 11.0718 11.4939 11.5809 11.7999 11.9647 14.4580 14.5720 14.6074 14.6157 15.0113 15.0298 15.5595 15.5926 k = 0.5000 0.1524 0.3969 ( 2452 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7383 -15.2413 -15.2401 -15.2327 -15.2325 -11.1658 -11.1655 -11.1640 -11.1634 -8.2083 -8.2072 -8.1983 -8.1978 -8.1954 -8.1940 1.9327 1.9360 7.3837 7.5619 8.9897 9.2647 9.8358 9.8743 10.8199 10.8526 10.9777 11.0218 11.0477 11.0636 11.5311 11.6289 11.8206 11.9857 14.4630 14.5988 14.6086 14.6386 15.0020 15.0222 15.5748 15.6030 k = 0.5000 0.1604 0.3856 ( 2452 PWs) bands (ev): -36.7313 -36.7312 -15.7392 -15.7383 -15.2415 -15.2404 -15.2325 -15.2323 -11.1657 -11.1654 -11.1638 -11.1633 -8.2081 -8.2071 -8.1980 -8.1975 -8.1954 -8.1941 1.9244 1.9275 7.3524 7.5148 9.0346 9.2910 9.8363 9.8725 10.8225 10.8532 10.9791 11.0186 11.0432 11.0558 11.5689 11.6759 11.8432 12.0069 14.4684 14.6067 14.6276 14.6647 14.9926 15.0143 15.5802 15.6044 k = 0.5000 0.1684 0.3742 ( 2456 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7384 -15.2417 -15.2407 -15.2324 -15.2322 -11.1656 -11.1654 -11.1637 -11.1632 -8.2080 -8.2071 -8.1977 -8.1973 -8.1955 -8.1943 1.9163 1.9193 7.3221 7.4698 9.0784 9.3168 9.8371 9.8708 10.8244 10.8531 10.9804 11.0154 11.0380 11.0488 11.6072 11.7211 11.8678 12.0277 14.4743 14.6066 14.6555 14.6911 14.9833 15.0063 15.5747 15.5954 k = 0.5000 0.1764 0.3629 ( 2456 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7384 -15.2418 -15.2409 -15.2322 -15.2321 -11.1655 -11.1653 -11.1635 -11.1630 -8.2079 -8.2071 -8.1974 -8.1970 -8.1955 -8.1945 1.9085 1.9112 7.2929 7.4268 9.1208 9.3414 9.8387 9.8695 10.8258 10.8524 10.9817 11.0123 11.0320 11.0431 11.6459 11.7638 11.8948 12.0481 14.4809 14.6073 14.6832 14.7173 14.9743 14.9984 15.5576 15.5748 k = 0.5000 0.1844 0.3515 ( 2458 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7385 -15.2420 -15.2411 -15.2321 -15.2320 -11.1654 -11.1652 -11.1633 -11.1629 -8.2078 -8.2071 -8.1972 -8.1967 -8.1954 -8.1946 1.9009 1.9035 7.2650 7.3862 9.1612 9.3644 9.8410 9.8688 10.8268 10.8512 10.9828 11.0094 11.0252 11.0386 11.6847 11.8033 11.9243 12.0679 14.4882 14.6088 14.7102 14.7426 14.9658 14.9908 15.5290 15.5427 k = 0.5000 0.1925 0.3402 ( 2466 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7385 -15.2422 -15.2414 -15.2320 -15.2319 -11.1653 -11.1652 -11.1632 -11.1628 -8.2078 -8.2071 -8.1971 -8.1965 -8.1953 -8.1947 1.8937 1.8961 7.2387 7.3478 9.1995 9.3854 9.8443 9.8687 10.8274 10.8495 10.9836 11.0068 11.0183 11.0349 11.7236 11.8390 11.9563 12.0869 14.4964 14.6113 14.7359 14.7664 14.9582 14.9837 15.4901 15.5002 k = 0.5000 0.2005 0.3289 ( 2462 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7386 -15.2423 -15.2416 -15.2318 -15.2318 -11.1652 -11.1651 -11.1630 -11.1626 -8.2077 -8.2071 -8.1970 -8.1962 -8.1951 -8.1947 1.8869 1.8892 7.2142 7.3120 9.2354 9.4040 9.8487 9.8696 10.8277 10.8476 10.9841 11.0044 11.0117 11.0316 11.7620 11.8708 11.9905 12.1053 14.5056 14.6148 14.7597 14.7883 14.9516 14.9775 15.4425 15.4492 k = 0.5000 0.2085 0.3175 ( 2460 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7386 -15.2425 -15.2418 -15.2317 -15.2317 -11.1650 -11.1650 -11.1628 -11.1625 -8.2076 -8.2071 -8.1969 -8.1961 -8.1949 -8.1946 1.8806 1.8826 7.1916 7.2787 9.2685 9.4199 9.8539 9.8713 10.8278 10.8454 10.9841 11.0018 11.0063 11.0288 11.7997 11.8991 12.0258 12.1230 14.5159 14.6196 14.7811 14.8075 14.9465 14.9723 15.3885 15.3921 k = 0.5000 0.2165 0.3062 ( 2464 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7387 -15.2426 -15.2420 -15.2316 -15.2316 -11.1650 -11.1649 -11.1627 -11.1624 -8.2076 -8.2071 -8.1969 -8.1961 -8.1947 -8.1945 1.8747 1.8766 7.1711 7.2481 9.2987 9.4331 9.8599 9.8738 10.8277 10.8431 10.9836 10.9975 11.0036 11.0262 11.8359 11.9240 12.0613 12.1400 14.5275 14.6255 14.7996 14.8233 14.9432 14.9685 15.3302 15.3315 k = 0.5000 0.2245 0.2948 ( 2462 PWs) bands (ev): -36.7314 -36.7313 -15.7392 -15.7387 -15.2427 -15.2421 -15.2315 -15.2315 -11.1649 -11.1648 -11.1625 -11.1623 -8.2075 -8.2071 -8.1969 -8.1961 -8.1944 -8.1943 1.8694 1.8711 7.1528 7.2201 9.3260 9.4437 9.8665 9.8770 10.8275 10.8408 10.9826 10.9925 11.0028 11.0238 11.8702 11.9462 12.0959 12.1565 14.5405 14.6329 14.8145 14.8354 14.9414 14.9661 15.2687 15.2711 k = 0.5000 0.2325 0.2835 ( 2462 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7388 -15.2428 -15.2423 -15.2314 -15.2314 -11.1648 -11.1648 -11.1624 -11.1622 -8.2075 -8.2072 -8.1968 -8.1962 -8.1942 -8.1941 1.8646 1.8661 7.1369 7.1949 9.3502 9.4516 9.8733 9.8808 10.8272 10.8386 10.9812 10.9879 11.0028 11.0217 11.9018 11.9658 12.1286 12.1726 14.5552 14.6418 14.8257 14.8436 14.9406 14.9650 15.2074 15.2122 k = 0.5000 0.2406 0.2722 ( 2466 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7388 -15.2429 -15.2425 -15.2314 -15.2314 -11.1648 -11.1647 -11.1623 -11.1621 -8.2075 -8.2072 -8.1969 -8.1963 -8.1940 -8.1939 1.8604 1.8617 7.1233 7.1724 9.3715 9.4570 9.8799 9.8850 10.8269 10.8364 10.9796 10.9839 11.0033 11.0197 11.9302 11.9826 12.1586 12.1882 14.5716 14.6523 14.8332 14.8486 14.9388 14.9640 15.1496 15.1572 k = 0.5000 0.2486 0.2608 ( 2468 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7389 -15.2430 -15.2426 -15.2313 -15.2313 -11.1647 -11.1647 -11.1622 -11.1621 -8.2075 -8.2072 -8.1968 -8.1963 -8.1938 -8.1938 1.8569 1.8579 7.1123 7.1528 9.3900 9.4602 9.8862 9.8892 10.8267 10.8344 10.9780 10.9805 11.0041 11.0179 11.9549 11.9967 12.1851 12.2032 14.5900 14.6645 14.8374 14.8512 14.9330 14.9605 15.0986 15.1098 k = 0.5000 0.2566 0.2495 ( 2472 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7389 -15.2430 -15.2427 -15.2313 -15.2313 -11.1647 -11.1647 -11.1621 -11.1620 -8.2075 -8.2073 -8.1968 -8.1964 -8.1937 -8.1936 1.8540 1.8548 7.1039 7.1360 9.4060 9.4614 9.8916 9.8932 10.8265 10.8326 10.9764 10.9777 11.0051 11.0162 11.9756 12.0079 12.2075 12.2171 14.6105 14.6781 14.8387 14.8523 14.9201 14.9495 15.0602 15.0742 k = 0.5000 0.2646 0.2381 ( 2470 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7390 -15.2430 -15.2428 -15.2312 -15.2312 -11.1647 -11.1647 -11.1621 -11.1620 -8.2074 -8.2073 -8.1968 -8.1965 -8.1935 -8.1935 1.8517 1.8523 7.0982 7.1221 9.4196 9.4606 9.8961 9.8968 10.8265 10.8310 10.9751 10.9756 11.0062 11.0145 11.9924 12.0159 12.2252 12.2294 14.6329 14.6922 14.8375 14.8525 14.9003 14.9267 15.0390 15.0521 k = 0.5000 0.2726 0.2268 ( 2470 PWs) bands (ev): -36.7314 -36.7314 -15.7391 -15.7390 -15.2430 -15.2429 -15.2312 -15.2312 -11.1646 -11.1646 -11.1620 -11.1619 -8.2074 -8.2073 -8.1968 -8.1966 -8.1934 -8.1934 1.8501 1.8505 7.0951 7.1110 9.4310 9.4582 9.8994 9.8996 10.8267 10.8297 10.9741 10.9742 11.0075 11.0130 12.0053 12.0207 12.2379 12.2392 14.6568 14.7042 14.8338 14.8520 14.8803 14.8969 15.0314 15.0404 k = 0.5000 0.2807 0.2155 ( 2474 PWs) bands (ev): -36.7314 -36.7314 -15.7391 -15.7390 -15.2431 -15.2430 -15.2312 -15.2312 -11.1646 -11.1646 -11.1620 -11.1620 -8.2074 -8.2074 -8.1968 -8.1967 -8.1934 -8.1934 1.8492 1.8494 7.0948 7.1028 9.4405 9.4540 9.9014 9.9014 10.8271 10.8286 10.9734 10.9734 11.0087 11.0115 12.0145 12.0221 12.2454 12.2456 14.6804 14.7086 14.8312 14.8490 14.8677 14.8714 15.0300 15.0345 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -36.7314 -36.7314 -15.7391 -15.7391 -15.2431 -15.2431 -15.2312 -15.2312 -11.1647 -11.1647 -11.1621 -11.1621 -8.2075 -8.2075 -8.1968 -8.1968 -8.1935 -8.1935 1.8489 1.8489 7.0974 7.0974 9.4481 9.4481 9.9021 9.9021 10.8277 10.8277 10.9731 10.9731 11.0100 11.0100 12.0200 12.0200 12.2477 12.2477 14.6998 14.6998 14.8379 14.8379 14.8634 14.8634 15.0313 15.0313 k = 0.5000 0.2887 0.2041 ( 2488 PWs) bands (ev): -36.7314 -36.7314 -15.7391 -15.7391 -15.2431 -15.2431 -15.2312 -15.2312 -11.1647 -11.1647 -11.1621 -11.1621 -8.2075 -8.2075 -8.1968 -8.1968 -8.1935 -8.1935 1.8489 1.8489 7.0974 7.0974 9.4481 9.4481 9.9021 9.9021 10.8277 10.8277 10.9731 10.9731 11.0100 11.0100 12.0200 12.0200 12.2477 12.2477 14.6998 14.6998 14.8379 14.8379 14.8634 14.8634 15.0313 15.0313 k = 0.4961 0.2864 0.2169 ( 2476 PWs) bands (ev): -36.7314 -36.7314 -15.7391 -15.7391 -15.2431 -15.2430 -15.2312 -15.2312 -11.1646 -11.1646 -11.1620 -11.1620 -8.2074 -8.2074 -8.1968 -8.1967 -8.1934 -8.1934 1.8491 1.8493 7.0949 7.1026 9.4407 9.4538 9.9015 9.9015 10.8271 10.8286 10.9733 10.9733 11.0088 11.0115 12.0146 12.0221 12.2455 12.2456 14.6809 14.7085 14.8312 14.8488 14.8675 14.8709 15.0300 15.0343 k = 0.4922 0.2842 0.2296 ( 2474 PWs) bands (ev): -36.7314 -36.7314 -15.7391 -15.7390 -15.2431 -15.2429 -15.2312 -15.2312 -11.1647 -11.1647 -11.1620 -11.1620 -8.2074 -8.2074 -8.1968 -8.1966 -8.1934 -8.1934 1.8500 1.8504 7.0950 7.1105 9.4316 9.4580 9.8996 9.8997 10.8267 10.8296 10.9740 10.9741 11.0075 11.0129 12.0059 12.0208 12.2388 12.2391 14.6580 14.7047 14.8336 14.8519 14.8796 14.8952 15.0312 15.0400 k = 0.4883 0.2819 0.2424 ( 2472 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7390 -15.2430 -15.2428 -15.2312 -15.2312 -11.1647 -11.1647 -11.1621 -11.1620 -8.2074 -8.2073 -8.1968 -8.1965 -8.1935 -8.1935 1.8515 1.8522 7.0978 7.1211 9.4206 9.4605 9.8965 9.8970 10.8266 10.8309 10.9752 10.9754 11.0063 11.0144 11.9936 12.0163 12.2277 12.2289 14.6346 14.6933 14.8377 14.8525 14.8990 14.9236 15.0383 15.0509 k = 0.4844 0.2797 0.2552 ( 2474 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7389 -15.2430 -15.2427 -15.2313 -15.2313 -11.1647 -11.1647 -11.1622 -11.1620 -8.2075 -8.2073 -8.1969 -8.1965 -8.1936 -8.1936 1.8537 1.8545 7.1032 7.1344 9.4075 9.4614 9.8924 9.8934 10.8265 10.8324 10.9767 10.9771 11.0052 11.0160 11.9778 12.0085 12.2127 12.2154 14.6124 14.6794 14.8403 14.8528 14.9185 14.9451 15.0579 15.0714 k = 0.4805 0.2774 0.2679 ( 2468 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7389 -15.2430 -15.2426 -15.2313 -15.2313 -11.1647 -11.1647 -11.1622 -11.1621 -8.2074 -8.2072 -8.1969 -8.1964 -8.1938 -8.1938 1.8565 1.8575 7.1111 7.1505 9.3922 9.4605 9.8874 9.8893 10.8267 10.8342 10.9785 10.9794 11.0043 11.0176 11.9583 11.9973 12.1945 12.1993 14.5916 14.6656 14.8418 14.8532 14.9311 14.9541 15.0943 15.1049 k = 0.4766 0.2751 0.2807 ( 2464 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7388 -15.2429 -15.2425 -15.2313 -15.2313 -11.1647 -11.1647 -11.1623 -11.1621 -8.2074 -8.2072 -8.1969 -8.1963 -8.1939 -8.1939 1.8599 1.8611 7.1215 7.1692 9.3745 9.4576 9.8818 9.8849 10.8269 10.8361 10.9805 10.9822 11.0035 11.0194 11.9354 11.9826 12.1738 12.1812 14.5722 14.6525 14.8427 14.8537 14.9357 14.9537 15.1433 15.1501 k = 0.4727 0.2729 0.2934 ( 2466 PWs) bands (ev): -36.7314 -36.7314 -15.7392 -15.7388 -15.2428 -15.2424 -15.2314 -15.2314 -11.1648 -11.1648 -11.1624 -11.1622 -8.2075 -8.2072 -8.1969 -8.1962 -8.1941 -8.1941 1.8638 1.8652 7.1342 7.1906 9.3540 9.4526 9.8758 9.8805 10.8272 10.8382 10.9825 10.9854 11.0032 11.0213 11.9091 11.9643 12.1513 12.1616 14.5538 14.6401 14.8434 14.8543 14.9344 14.9485 15.1995 15.2032 k = 0.4688 0.2706 0.3062 ( 2469 PWs) bands (ev): -36.7314 -36.7313 -15.7393 -15.7387 -15.2428 -15.2422 -15.2315 -15.2315 -11.1649 -11.1649 -11.1626 -11.1623 -8.2075 -8.2072 -8.1969 -8.1962 -8.1944 -8.1943 1.8684 1.8700 7.1493 7.2147 9.3308 9.4453 9.8699 9.8763 10.8274 10.8404 10.9843 10.9891 11.0034 11.0233 11.8797 11.9424 12.1278 12.1410 14.5359 14.6280 14.8440 14.8551 14.9298 14.9410 15.2595 15.2608 k = 0.4648 0.2684 0.3189 ( 2466 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7387 -15.2426 -15.2420 -15.2316 -15.2316 -11.1649 -11.1649 -11.1627 -11.1624 -8.2075 -8.2071 -8.1970 -8.1962 -8.1946 -8.1944 1.8734 1.8752 7.1666 7.2414 9.3045 9.4354 9.8644 9.8726 10.8277 10.8427 10.9856 10.9933 11.0044 11.0255 11.8477 11.9171 12.1040 12.1197 14.5179 14.6154 14.8446 14.8560 14.9236 14.9326 15.3199 15.3211 k = 0.4609 0.2661 0.3317 ( 2458 PWs) bands (ev): -36.7313 -36.7313 -15.7392 -15.7386 -15.2425 -15.2418 -15.2317 -15.2316 -11.1650 -11.1649 -11.1628 -11.1625 -8.2075 -8.2071 -8.1970 -8.1962 -8.1947 -8.1945 1.8790 1.8810 7.1861 7.2706 9.2753 9.4227 9.8596 9.8696 10.8278 10.8451 10.9862 10.9979 11.0065 11.0280 11.8136 11.8888 12.0802 12.0978 14.4991 14.6017 14.8453 14.8569 14.9171 14.9243 15.3784 15.3822 k = 0.4570 0.2639 0.3445 ( 2458 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7386 -15.2424 -15.2416 -15.2318 -15.2317 -11.1650 -11.1650 -11.1629 -11.1626 -8.2076 -8.2071 -8.1971 -8.1963 -8.1949 -8.1945 1.8851 1.8872 7.2075 7.3024 9.2429 9.4073 9.8559 9.8675 10.8278 10.8474 10.9862 11.0028 11.0095 11.0307 11.7778 11.8578 12.0565 12.0755 14.4789 14.5861 14.8462 14.8579 14.9112 14.9168 15.4339 15.4406 k = 0.4531 0.2616 0.3572 ( 2462 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7385 -15.2422 -15.2414 -15.2319 -15.2318 -11.1652 -11.1651 -11.1631 -11.1627 -8.2077 -8.2071 -8.1972 -8.1966 -8.1951 -8.1945 1.8915 1.8939 7.2307 7.3366 9.2075 9.3889 9.8535 9.8663 10.8275 10.8496 10.9857 11.0081 11.0134 11.0336 11.7409 11.8247 12.0330 12.0527 14.4569 14.5678 14.8476 14.8590 14.9066 14.9107 15.4844 15.4942 k = 0.4492 0.2594 0.3700 ( 2458 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7385 -15.2421 -15.2412 -15.2320 -15.2319 -11.1653 -11.1652 -11.1632 -11.1629 -8.2077 -8.2071 -8.1974 -8.1968 -8.1951 -8.1944 1.8984 1.9009 7.2556 7.3732 9.1693 9.3680 9.8526 9.8664 10.8270 10.8517 10.9849 11.0137 11.0178 11.0369 11.7033 11.7902 12.0098 12.0297 14.4324 14.5464 14.8496 14.8603 14.9038 14.9066 15.5276 15.5405 k = 0.4453 0.2571 0.3827 ( 2457 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7384 -15.2419 -15.2410 -15.2322 -15.2321 -11.1654 -11.1653 -11.1634 -11.1630 -8.2078 -8.2071 -8.1977 -8.1972 -8.1951 -8.1942 1.9056 1.9083 7.2821 7.4121 9.1284 9.3445 9.8532 9.8675 10.8262 10.8535 10.9841 11.0194 11.0226 11.0407 11.6654 11.7549 11.9868 12.0063 14.4053 14.5215 14.8527 14.8618 14.9030 14.9046 15.5616 15.5770 k = 0.4414 0.2548 0.3955 ( 2459 PWs) bands (ev): -36.7313 -36.7313 -15.7393 -15.7384 -15.2417 -15.2407 -15.2323 -15.2322 -11.1655 -11.1654 -11.1636 -11.1632 -8.2079 -8.2071 -8.1981 -8.1976 -8.1951 -8.1941 1.9131 1.9159 7.3098 7.4532 9.0850 9.3188 9.8554 9.8697 10.8249 10.8549 10.9833 11.0252 11.0278 11.0448 11.6277 11.7193 11.9638 11.9826 14.3755 14.4930 14.8568 14.8639 14.9044 14.9048 15.5848 15.6020 k = 0.4375 0.2526 0.4082 ( 2457 PWs) bands (ev): -36.7313 -36.7312 -15.7393 -15.7384 -15.2416 -15.2405 -15.2324 -15.2323 -11.1656 -11.1655 -11.1637 -11.1633 -8.2080 -8.2072 -8.1984 -8.1980 -8.1950 -8.1938 1.9208 1.9238 7.3385 7.4964 9.0395 9.2914 9.8592 9.8731 10.8233 10.8558 10.9827 11.0311 11.0332 11.0496 11.5905 11.6838 11.9410 11.9588 14.3430 14.4613 14.8620 14.8667 14.9070 14.9078 15.5968 15.6145 k = 0.4336 0.2503 0.4210 ( 2456 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7383 -15.2414 -15.2402 -15.2326 -15.2324 -11.1657 -11.1656 -11.1639 -11.1635 -8.2081 -8.2072 -8.1989 -8.1984 -8.1948 -8.1936 1.9286 1.9318 7.3681 7.5415 8.9923 9.2628 9.8644 9.8776 10.8211 10.8560 10.9824 11.0368 11.0388 11.0549 11.5539 11.6488 11.9182 11.9349 14.3080 14.4266 14.8681 14.8707 14.9110 14.9135 15.5981 15.6153 k = 0.4297 0.2481 0.4338 ( 2460 PWs) bands (ev): -36.7312 -36.7312 -15.7393 -15.7383 -15.2412 -15.2400 -15.2327 -15.2326 -11.1659 -11.1658 -11.1641 -11.1637 -8.2082 -8.2073 -8.1993 -8.1989 -8.1947 -8.1934 1.9366 1.9399 7.3982 7.5883 8.9436 9.2334 9.8709 9.8831 10.8185 10.8555 10.9825 11.0423 11.0446 11.0608 11.5183 11.6145 11.8955 11.9108 14.2708 14.3895 14.8749 14.8756 14.9167 14.9212 15.5902 15.6063 k = 0.4258 0.2458 0.4465 ( 2458 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7382 -15.2410 -15.2398 -15.2329 -15.2327 -11.1660 -11.1659 -11.1643 -11.1639 -8.2083 -8.2073 -8.1998 -8.1993 -8.1945 -8.1931 1.9446 1.9480 7.4284 7.6367 8.8939 9.2040 9.8786 9.8896 10.8154 10.8541 10.9830 11.0476 11.0504 11.0673 11.4838 11.5812 11.8730 11.8868 14.2319 14.3504 14.8816 14.8823 14.9239 14.9312 15.5751 15.5900 k = 0.4219 0.2436 0.4593 ( 2462 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7382 -15.2409 -15.2395 -15.2331 -15.2328 -11.1661 -11.1660 -11.1645 -11.1641 -8.2085 -8.2074 -8.2003 -8.1998 -8.1943 -8.1929 1.9525 1.9560 7.4584 7.6864 8.8437 9.1751 9.8875 9.8970 10.8118 10.8519 10.9842 11.0527 11.0563 11.0742 11.4505 11.5490 11.8508 11.8630 14.1917 14.3099 14.8885 14.8899 14.9327 14.9431 15.5551 15.5689 k = 0.4180 0.2413 0.4720 ( 2458 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7382 -15.2407 -15.2393 -15.2332 -15.2329 -11.1662 -11.1661 -11.1647 -11.1643 -8.2086 -8.2074 -8.2008 -8.2003 -8.1940 -8.1926 1.9603 1.9640 7.4879 7.7371 8.7937 9.1474 9.8974 9.9053 10.8078 10.8488 10.9859 11.0576 11.0622 11.0814 11.4185 11.5181 11.8289 11.8395 14.1506 14.2684 14.8961 14.8978 14.9430 14.9570 15.5318 15.5451 k = 0.4141 0.2391 0.4848 ( 2458 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7381 -15.2405 -15.2390 -15.2333 -15.2329 -11.1663 -11.1662 -11.1649 -11.1645 -8.2087 -8.2075 -8.2014 -8.2008 -8.1938 -8.1923 1.9679 1.9716 7.5163 7.7882 8.7443 9.1215 9.9082 9.9144 10.8034 10.8448 10.9881 11.0623 11.0681 11.0890 11.3881 11.4884 11.8076 11.8164 14.1090 14.2264 14.9043 14.9060 14.9545 14.9724 15.5068 15.5201 k = 0.4102 0.2368 0.4976 ( 2454 PWs) bands (ev): -36.7312 -36.7312 -15.7392 -15.7381 -15.2403 -15.2388 -15.2334 -15.2330 -11.1664 -11.1663 -11.1651 -11.1646 -8.2088 -8.2075 -8.2018 -8.2013 -8.1935 -8.1920 1.9752 1.9790 7.5433 7.8393 8.6965 9.0981 9.9198 9.9241 10.7987 10.8401 10.9908 11.0666 11.0739 11.0966 11.3592 11.4602 11.7869 11.7939 14.0673 14.1844 14.9130 14.9146 14.9673 14.9891 15.4811 15.4950 k = 0.4062 0.2345 0.5103 ( 2456 PWs) bands (ev): -36.7312 -36.7311 -15.7391 -15.7380 -15.2402 -15.2386 -15.2335 -15.2331 -11.1664 -11.1664 -11.1653 -11.1649 -8.2090 -8.2076 -8.2024 -8.2018 -8.1932 -8.1917 1.9821 1.9860 7.5685 7.8894 8.6512 9.0779 9.9322 9.9346 10.7936 10.8348 10.9939 11.0705 11.0795 11.1044 11.3319 11.4334 11.7668 11.7720 14.0260 14.1428 14.9220 14.9235 14.9809 15.0066 15.4558 15.4709 k = 0.4023 0.2323 0.5231 ( 2453 PWs) bands (ev): -36.7311 -36.7311 -15.7391 -15.7380 -15.2400 -15.2384 -15.2336 -15.2331 -11.1665 -11.1665 -11.1654 -11.1651 -8.2091 -8.2077 -8.2029 -8.2022 -8.1929 -8.1914 1.9886 1.9925 7.5913 7.9373 8.6100 9.0616 9.9451 9.9456 10.7885 10.8290 10.9974 11.0738 11.0850 11.1122 11.3064 11.4080 11.7475 11.7510 13.9853 14.1018 14.9313 14.9328 14.9952 15.0248 15.4315 15.4482 k = 0.3984 0.2300 0.5358 ( 2454 PWs) bands (ev): -36.7311 -36.7311 -15.7391 -15.7380 -15.2399 -15.2382 -15.2337 -15.2332 -11.1666 -11.1666 -11.1655 -11.1653 -8.2092 -8.2078 -8.2034 -8.2027 -8.1927 -8.1912 1.9944 1.9984 7.6115 7.9811 8.5748 9.0495 9.9573 9.9586 10.7833 10.8230 11.0009 11.0762 11.0902 11.1200 11.2828 11.3841 11.7292 11.7310 13.9455 14.0617 14.9408 14.9424 15.0096 15.0432 15.4088 15.4277 k = 0.3945 0.2278 0.5486 ( 2456 PWs) bands (ev): -36.7311 -36.7311 -15.7391 -15.7379 -15.2398 -15.2381 -15.2338 -15.2332 -11.1668 -11.1667 -11.1657 -11.1655 -8.2094 -8.2079 -8.2039 -8.2031 -8.1924 -8.1909 1.9996 2.0036 7.6287 8.0184 8.5483 9.0423 9.9694 9.9726 10.7782 10.8169 11.0045 11.0775 11.0951 11.1277 11.2613 11.3617 11.7119 11.7121 13.9068 14.0229 14.9504 14.9522 15.0239 15.0612 15.3884 15.4099 k = 0.3906 0.2255 0.5613 ( 2462 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7379 -15.2397 -15.2379 -15.2338 -15.2332 -11.1670 -11.1668 -11.1658 -11.1658 -8.2096 -8.2080 -8.2044 -8.2036 -8.1922 -8.1907 2.0040 2.0081 7.6426 8.0460 8.5338 9.0403 9.9819 9.9870 10.7733 10.8110 11.0079 11.0774 11.0997 11.1351 11.2422 11.3409 11.6945 11.6957 13.8695 13.9854 14.9600 14.9622 15.0376 15.0783 15.3709 15.3953 k = 0.3867 0.2233 0.5741 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7390 -15.7379 -15.2396 -15.2378 -15.2338 -15.2331 -11.1672 -11.1668 -11.1659 -11.1658 -8.2097 -8.2081 -8.2047 -8.2040 -8.1919 -8.1904 2.0076 2.0116 7.6533 8.0611 8.5341 9.0437 9.9949 10.0018 10.7688 10.8055 11.0110 11.0755 11.1039 11.1420 11.2260 11.3218 11.6784 11.6807 13.8336 13.9494 14.9693 14.9722 15.0500 15.0937 15.3570 15.3843 k = 0.3828 0.2210 0.5869 ( 2456 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2395 -15.2378 -15.2337 -15.2331 -11.1673 -11.1668 -11.1661 -11.1659 -8.2098 -8.2083 -8.2051 -8.2044 -8.1917 -8.1902 2.0102 2.0142 7.6608 8.0628 8.5504 9.0525 10.0083 10.0169 10.7648 10.8005 11.0137 11.0716 11.1075 11.1479 11.2132 11.3046 11.6638 11.6669 13.7993 13.9151 14.9782 14.9818 15.0608 15.1066 15.3474 15.3775 k = 0.3789 0.2188 0.5996 ( 2452 PWs) bands (ev): -36.7311 -36.7311 -15.7389 -15.7378 -15.2395 -15.2377 -15.2336 -15.2330 -11.1675 -11.1669 -11.1663 -11.1659 -8.2099 -8.2084 -8.2054 -8.2048 -8.1914 -8.1900 2.0117 2.0156 7.6653 8.0526 8.5811 9.0666 10.0220 10.0322 10.7616 10.7963 11.0158 11.0656 11.1103 11.1518 11.2049 11.2895 11.6508 11.6545 13.7668 13.8826 14.9863 14.9909 15.0695 15.1161 15.3423 15.3747 k = 0.3750 0.2165 0.6124 ( 2440 PWs) bands (ev): -36.7311 -36.7311 -15.7388 -15.7377 -15.2394 -15.2377 -15.2334 -15.2328 -11.1676 -11.1669 -11.1663 -11.1658 -8.2100 -8.2085 -8.2056 -8.2050 -8.1912 -8.1897 2.0120 2.0159 7.6671 8.0339 8.6229 9.0858 10.0360 10.0477 10.7591 10.7930 11.0171 11.0573 11.1121 11.1528 11.2020 11.2770 11.6395 11.6434 13.7360 13.8518 14.9929 14.9988 15.0760 15.1219 15.3398 15.3740 k = 0.6250-0.0722 0.4082 ( 2440 PWs) bands (ev): -36.7311 -36.7311 -15.7388 -15.7377 -15.2394 -15.2377 -15.2334 -15.2328 -11.1676 -11.1669 -11.1663 -11.1658 -8.2100 -8.2085 -8.2056 -8.2050 -8.1912 -8.1897 2.0120 2.0159 7.6671 8.0339 8.6229 9.0858 10.0360 10.0477 10.7591 10.7930 11.0171 11.0573 11.1121 11.1528 11.2020 11.2770 11.6395 11.6434 13.7360 13.8518 14.9929 14.9988 15.0760 15.1219 15.3398 15.3740 k = 0.6181-0.0842 0.4082 ( 2450 PWs) bands (ev): -36.7311 -36.7311 -15.7387 -15.7377 -15.2394 -15.2378 -15.2332 -15.2326 -11.1680 -11.1673 -11.1664 -11.1659 -8.2103 -8.2090 -8.2061 -8.2057 -8.1909 -8.1895 2.0110 2.0148 7.6672 7.9956 8.7073 9.1274 10.0613 10.0758 10.7557 10.7881 11.0183 11.0396 11.1137 11.1517 11.2023 11.2572 11.6214 11.6253 13.6839 13.7996 15.0007 15.0094 15.0853 15.1284 15.3090 15.3311 k = 0.6111-0.0962 0.4082 ( 2450 PWs) bands (ev): -36.7311 -36.7311 -15.7386 -15.7376 -15.2393 -15.2378 -15.2328 -15.2324 -11.1684 -11.1677 -11.1665 -11.1659 -8.2106 -8.2095 -8.2064 -8.2062 -8.1906 -8.1892 2.0091 2.0128 7.6655 7.9586 8.7954 9.1753 10.0873 10.1047 10.7526 10.7837 11.0189 11.0196 11.1142 11.1510 11.2035 11.2381 11.6043 11.6082 13.6344 13.7497 15.0025 15.0146 15.0944 15.1342 15.2578 15.2789 k = 0.6042-0.1083 0.4082 ( 2446 PWs) bands (ev): -36.7311 -36.7311 -15.7385 -15.7375 -15.2393 -15.2379 -15.2325 -15.2321 -11.1688 -11.1680 -11.1664 -11.1659 -8.2109 -8.2101 -8.2067 -8.2067 -8.1902 -8.1889 2.0065 2.0100 7.6622 7.9231 8.8863 9.2287 10.1139 10.1344 10.7499 10.7795 10.9978 11.0185 11.1133 11.1508 11.2054 11.2206 11.5882 11.5923 13.5872 13.7019 14.9956 15.0112 15.1034 15.1390 15.2143 15.2364 k = 0.5972-0.1203 0.4082 ( 2446 PWs) bands (ev): -36.7311 -36.7311 -15.7383 -15.7374 -15.2393 -15.2380 -15.2321 -15.2318 -11.1691 -11.1684 -11.1664 -11.1659 -8.2113 -8.2107 -8.2071 -8.2069 -8.1899 -8.1887 2.0033 2.0066 7.6577 7.8893 8.9792 9.2866 10.1408 10.1646 10.7476 10.7757 10.9748 11.0163 11.1104 11.1509 11.2056 11.2074 11.5734 11.5776 13.5426 13.6561 14.9779 14.9950 15.1123 15.1428 15.1858 15.2066 k = 0.5903-0.1323 0.4082 ( 2456 PWs) bands (ev): -36.7311 -36.7311 -15.7382 -15.7374 -15.2393 -15.2381 -15.2318 -15.2315 -11.1696 -11.1689 -11.1665 -11.1660 -8.2118 -8.2113 -8.2075 -8.2072 -8.1897 -8.1886 1.9996 2.0028 7.6522 7.8574 9.0734 9.3479 10.1678 10.1953 10.7455 10.7720 10.9506 11.0111 11.1060 11.1513 11.1943 11.2093 11.5598 11.5643 13.5002 13.6122 14.9497 14.9658 15.1209 15.1456 15.1729 15.1891 k = 0.5833-0.1443 0.4082 ( 2456 PWs) bands (ev): -36.7311 -36.7311 -15.7381 -15.7373 -15.2393 -15.2382 -15.2315 -15.2312 -11.1699 -11.1693 -11.1665 -11.1660 -8.2122 -8.2119 -8.2078 -8.2074 -8.1894 -8.1884 1.9957 1.9987 7.6460 7.8273 9.1682 9.4117 10.1951 10.2263 10.7438 10.7686 10.9258 11.0014 11.1013 11.1519 11.1870 11.2111 11.5477 11.5524 13.4603 13.5701 14.9146 14.9281 15.1293 15.1490 15.1701 15.1808 k = 0.5764-0.1564 0.4082 ( 2448 PWs) bands (ev): -36.7311 -36.7311 -15.7380 -15.7372 -15.2392 -15.2383 -15.2311 -15.2309 -11.1702 -11.1696 -11.1665 -11.1660 -8.2126 -8.2124 -8.2080 -8.2075 -8.1891 -8.1881 1.9916 1.9943 7.6396 7.7991 9.2626 9.4767 10.2223 10.2574 10.7422 10.7652 10.9005 10.9863 11.0979 11.1527 11.1829 11.2125 11.5373 11.5422 13.4227 13.5297 14.8763 14.8872 15.1372 15.1536 15.1714 15.1784 k = 0.5694-0.1684 0.4082 ( 2444 PWs) bands (ev): -36.7311 -36.7311 -15.7378 -15.7371 -15.2392 -15.2383 -15.2308 -15.2306 -11.1704 -11.1699 -11.1664 -11.1660 -8.2131 -8.2130 -8.2082 -8.2077 -8.1889 -8.1879 1.9874 1.9900 7.6333 7.7729 9.3557 9.5417 10.2494 10.2884 10.7407 10.7617 10.8750 10.9659 11.0969 11.1537 11.1811 11.2131 11.5287 11.5337 13.3875 13.4909 14.8376 14.8464 15.1445 15.1591 15.1742 15.1790 k = 0.5625-0.1804 0.4082 ( 2448 PWs) bands (ev): -36.7311 -36.7311 -15.7377 -15.7371 -15.2392 -15.2384 -15.2305 -15.2303 -11.1708 -11.1703 -11.1664 -11.1660 -8.2136 -8.2135 -8.2083 -8.2078 -8.1887 -8.1878 1.9834 1.9857 7.6272 7.7487 9.4465 9.6058 10.2764 10.3191 10.7387 10.7579 10.8498 10.9411 11.0982 11.1548 11.1806 11.2129 11.5220 11.5270 13.3548 13.4537 14.8004 14.8074 15.1507 15.1646 15.1773 15.1813 k = 0.5556-0.1925 0.4082 ( 2452 PWs) bands (ev): -36.7311 -36.7311 -15.7376 -15.7370 -15.2392 -15.2385 -15.2302 -15.2301 -11.1710 -11.1706 -11.1665 -11.1661 -8.2140 -8.2140 -8.2085 -8.2080 -8.1885 -8.1878 1.9794 1.9815 7.6217 7.7264 9.5338 9.6675 10.3033 10.3494 10.7358 10.7535 10.8257 10.9132 11.1013 11.1560 11.1809 11.2117 11.5173 11.5221 13.3249 13.4181 14.7656 14.7712 15.1557 15.1694 15.1807 15.1843 k = 0.5486-0.2045 0.4082 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7375 -15.7370 -15.2392 -15.2386 -15.2300 -15.2299 -11.1713 -11.1709 -11.1665 -11.1662 -8.2145 -8.2145 -8.2086 -8.2082 -8.1884 -8.1877 1.9758 1.9776 7.6169 7.7062 9.6163 9.7258 10.3303 10.3789 10.7304 10.7478 10.8041 10.8837 11.1058 11.1573 11.1814 11.2093 11.5146 11.5191 13.2979 13.3841 14.7339 14.7385 15.1589 15.1724 15.1843 15.1875 k = 0.5417-0.2165 0.4082 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7374 -15.7370 -15.2392 -15.2387 -15.2297 -15.2297 -11.1715 -11.1712 -11.1665 -11.1662 -8.2149 -8.2148 -8.2087 -8.2083 -8.1882 -8.1876 1.9725 1.9740 7.6132 7.6879 9.6928 9.7796 10.3576 10.4077 10.7207 10.7396 10.7873 10.8545 11.1115 11.1587 11.1819 11.2059 11.5137 11.5178 13.2742 13.3521 14.7059 14.7095 15.1591 15.1723 15.1882 15.1907 k = 0.5347-0.2285 0.4082 ( 2460 PWs) bands (ev): -36.7311 -36.7311 -15.7374 -15.7370 -15.2392 -15.2388 -15.2295 -15.2295 -11.1717 -11.1714 -11.1664 -11.1662 -8.2152 -8.2152 -8.2087 -8.2084 -8.1880 -8.1875 1.9696 1.9709 7.6106 7.6717 9.7615 9.8277 10.3855 10.4355 10.7051 10.7270 10.7769 10.8279 11.1179 11.1600 11.1822 11.2016 11.5143 11.5178 13.2543 13.3224 14.6818 14.6847 15.1538 15.1658 15.1922 15.1935 k = 0.5278-0.2406 0.4082 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7373 -15.7370 -15.2392 -15.2388 -15.2294 -15.2293 -11.1718 -11.1716 -11.1664 -11.1662 -8.2155 -8.2154 -8.2088 -8.2085 -8.1879 -8.1875 1.9672 1.9682 7.6093 7.6574 9.8210 9.8688 10.4144 10.4621 10.6848 10.7077 10.7718 10.8070 11.1249 11.1611 11.1823 11.1965 11.5160 11.5189 13.2386 13.2954 14.6619 14.6641 15.1397 15.1485 15.1959 15.1961 k = 0.5208-0.2526 0.4082 ( 2458 PWs) bands (ev): -36.7311 -36.7311 -15.7372 -15.7370 -15.2391 -15.2389 -15.2292 -15.2292 -11.1719 -11.1718 -11.1664 -11.1662 -8.2157 -8.2157 -8.2088 -8.2085 -8.1878 -8.1875 1.9653 1.9660 7.6094 7.6450 9.8695 9.9018 10.4446 10.4871 10.6624 10.6814 10.7701 10.7927 11.1322 11.1616 11.1820 11.1912 11.5182 11.5204 13.2276 13.2717 14.6462 14.6478 15.1185 15.1233 15.1983 15.1992 k = 0.5139-0.2646 0.4082 ( 2454 PWs) bands (ev): -36.7311 -36.7311 -15.7371 -15.7370 -15.2391 -15.2389 -15.2291 -15.2291 -11.1720 -11.1718 -11.1664 -11.1663 -8.2158 -8.2158 -8.2088 -8.2086 -8.1877 -8.1875 1.9639 1.9644 7.6110 7.6346 9.9060 9.9255 10.4756 10.5096 10.6401 10.6514 10.7702 10.7838 11.1397 11.1609 11.1816 11.1864 11.5203 11.5218 13.2217 13.2519 14.6351 14.6361 15.0979 15.1001 15.2001 15.2020 k = 0.5069-0.2766 0.4082 ( 2452 PWs) bands (ev): -36.7311 -36.7311 -15.7370 -15.7370 -15.2390 -15.2390 -15.2290 -15.2290 -11.1720 -11.1719 -11.1663 -11.1663 -8.2159 -8.2159 -8.2087 -8.2086 -8.1876 -8.1875 1.9631 1.9634 7.6143 7.6260 9.9297 9.9388 10.5052 10.5259 10.6208 10.6241 10.7716 10.7780 11.1469 11.1582 11.1813 11.1831 11.5220 11.5227 13.2213 13.2366 14.6284 14.6289 15.0839 15.0847 15.2018 15.2038 k = 0.5000-0.2887 0.4082 ( 2450 PWs) bands (ev): -36.7311 -36.7311 -15.7370 -15.7370 -15.2390 -15.2390 -15.2290 -15.2290 -11.1719 -11.1719 -11.1663 -11.1663 -8.2159 -8.2159 -8.2087 -8.2087 -8.1875 -8.1875 1.9630 1.9630 7.6192 7.6192 9.9405 9.9405 10.5260 10.5260 10.6118 10.6118 10.7742 10.7742 11.1533 11.1533 11.1816 11.1816 11.5228 11.5228 13.2263 13.2263 14.6264 14.6264 15.0792 15.0792 15.2031 15.2031 Writing output data file ScNiBi.save init_run : 1.30s CPU 0.72s WALL ( 1 calls) electrons : 261.27s CPU 163.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 261.26s CPU 163.91s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.28s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.19s CPU 0.32s WALL ( 339 calls) cegterg : 232.30s CPU 147.38s WALL ( 391 calls) Called by sum_band: Called by *egterg: h_psi : 163.01s CPU 94.30s WALL ( 6889 calls) s_psi : 6.56s CPU 3.87s WALL ( 6889 calls) g_psi : 0.17s CPU 0.12s WALL ( 6159 calls) cdiaghg : 70.04s CPU 50.96s WALL ( 6498 calls) cegterg:over : 6.96s CPU 4.49s WALL ( 6159 calls) cegterg:upda : 4.99s CPU 3.35s WALL ( 6159 calls) cegterg:last : 2.61s CPU 1.73s WALL ( 1209 calls) cdiaghg:chol : 3.61s CPU 2.79s WALL ( 6498 calls) cdiaghg:inve : 2.26s CPU 1.59s WALL ( 6498 calls) cdiaghg:para : 4.16s CPU 2.93s WALL ( 12996 calls) Called by h_psi: h_psi:vloc : 148.28s CPU 85.40s WALL ( 6889 calls) h_psi:vnl : 14.54s CPU 8.79s WALL ( 6889 calls) add_vuspsi : 9.03s CPU 5.30s WALL ( 6889 calls) General routines calbec : 5.48s CPU 3.46s WALL ( 6889 calls) fft : 0.06s CPU 0.03s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 140.02s CPU 80.14s WALL ( 696480 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.24s CPU 0.42s WALL ( 678 calls) Parallel routines fft_scatter : 53.81s CPU 32.64s WALL ( 696503 calls) PWSCF : 4m34.87s CPU 3m 6.28s WALL This run was terminated on: 2:38:56 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. 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