Program PWSCF v.5.4.0 starts on 11Feb2017 at 6:12:14 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: ./Li2GaAu.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: 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 55 54 15 1634 1571 232 Max 56 55 16 1638 1581 235 Sum 1993 1945 547 58887 56737 8393 bravais-lattice index = 14 lattice parameter (alat) = 8.2686 a.u. unit-cell volume = 399.7490 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.268641 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Ga 13.00 69.72300 Ga( 1.00) Au 11.00 196.96660 Au( 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 0.4313726), 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 0.0288462 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 0.0961539 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 0.6538462), 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 0.2211539 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 0.0454546 0.0454545), 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 0.0795455), 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 0.3295454 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 0.5117188), 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 0.5429688), 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 0.5585938), 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 0.5898437), 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 0.6054688), 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 0.6210938), 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 0.4960938 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 0.4804688 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 0.4648438 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 0.4492188 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 0.4179688 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 0.3867188 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: 58887 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 56737 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 400, 38) NL pseudopotentials 0.29 Mb ( 200, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1635) G-vector shells 0.00 Mb ( 438) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.93 Mb ( 400, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.11 Mb ( 96, 2, 38) The potential is recalculated from file : ./Li2GaAu.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 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.4 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 10.0 secs Computing kpt #: 13 total cpu time spent up to now is 10.5 secs Computing kpt #: 14 total cpu time spent up to now is 11.1 secs Computing kpt #: 15 total cpu time spent up to now is 11.7 secs Computing kpt #: 16 total cpu time spent up to now is 12.3 secs Computing kpt #: 17 total cpu time spent up to now is 12.9 secs Computing kpt #: 18 total cpu time spent up to now is 13.5 secs Computing kpt #: 19 total cpu time spent up to now is 14.1 secs Computing kpt #: 20 total cpu time spent up to now is 14.7 secs Computing kpt #: 21 total cpu time spent up to now is 15.3 secs Computing kpt #: 22 total cpu time spent up to now is 15.9 secs Computing kpt #: 23 total cpu time spent up to now is 16.5 secs Computing kpt #: 24 total cpu time spent up to now is 17.0 secs Computing kpt #: 25 total cpu time spent up to now is 17.6 secs Computing kpt #: 26 total cpu time spent up to now is 18.2 secs Computing kpt #: 27 total cpu time spent up to now is 18.8 secs Computing kpt #: 28 total cpu time spent up to now is 19.3 secs Computing kpt #: 29 total cpu time spent up to now is 20.0 secs Computing kpt #: 30 total cpu time spent up to now is 20.6 secs Computing kpt #: 31 total cpu time spent up to now is 21.2 secs Computing kpt #: 32 total cpu time spent up to now is 21.8 secs Computing kpt #: 33 total cpu time spent up to now is 22.5 secs Computing kpt #: 34 total cpu time spent up to now is 23.1 secs Computing kpt #: 35 total cpu time spent up to now is 23.7 secs Computing kpt #: 36 total cpu time spent up to now is 24.4 secs Computing kpt #: 37 total cpu time spent up to now is 25.0 secs Computing kpt #: 38 total cpu time spent up to now is 25.6 secs Computing kpt #: 39 total cpu time spent up to now is 26.2 secs Computing kpt #: 40 total cpu time spent up to now is 26.9 secs Computing kpt #: 41 total cpu time spent up to now is 27.5 secs Computing kpt #: 42 total cpu time spent up to now is 28.1 secs Computing kpt #: 43 total cpu time spent up to now is 28.7 secs Computing kpt #: 44 total cpu time spent up to now is 29.4 secs Computing kpt #: 45 total cpu time spent up to now is 30.0 secs Computing kpt #: 46 total cpu time spent up to now is 30.6 secs Computing kpt #: 47 total cpu time spent up to now is 31.3 secs Computing kpt #: 48 total cpu time spent up to now is 32.0 secs Computing kpt #: 49 total cpu time spent up to now is 32.7 secs Computing kpt #: 50 total cpu time spent up to now is 33.3 secs Computing kpt #: 51 total cpu time spent up to now is 34.1 secs Computing kpt #: 52 total cpu time spent up to now is 34.9 secs Computing kpt #: 53 total cpu time spent up to now is 35.6 secs Computing kpt #: 54 total cpu time spent up to now is 36.5 secs Computing kpt #: 55 total cpu time spent up to now is 37.4 secs Computing kpt #: 56 total cpu time spent up to now is 38.1 secs Computing kpt #: 57 total cpu time spent up to now is 38.8 secs Computing kpt #: 58 total cpu time spent up to now is 39.4 secs Computing kpt #: 59 total cpu time spent up to now is 40.0 secs Computing kpt #: 60 total cpu time spent up to now is 40.6 secs Computing kpt #: 61 total cpu time spent up to now is 41.2 secs Computing kpt #: 62 total cpu time spent up to now is 41.8 secs Computing kpt #: 63 total cpu time spent up to now is 42.4 secs Computing kpt #: 64 total cpu time spent up to now is 42.9 secs Computing kpt #: 65 total cpu time spent up to now is 43.4 secs Computing kpt #: 66 total cpu time spent up to now is 44.0 secs Computing kpt #: 67 total cpu time spent up to now is 44.5 secs Computing kpt #: 68 total cpu time spent up to now is 45.1 secs Computing kpt #: 69 total cpu time spent up to now is 45.6 secs Computing kpt #: 70 total cpu time spent up to now is 46.1 secs Computing kpt #: 71 total cpu time spent up to now is 46.7 secs Computing kpt #: 72 total cpu time spent up to now is 47.1 secs Computing kpt #: 73 total cpu time spent up to now is 47.7 secs Computing kpt #: 74 total cpu time spent up to now is 48.2 secs Computing kpt #: 75 total cpu time spent up to now is 48.7 secs Computing kpt #: 76 total cpu time spent up to now is 49.2 secs Computing kpt #: 77 total cpu time spent up to now is 49.7 secs Computing kpt #: 78 total cpu time spent up to now is 50.2 secs Computing kpt #: 79 total cpu time spent up to now is 50.7 secs Computing kpt #: 80 total cpu time spent up to now is 51.2 secs Computing kpt #: 81 total cpu time spent up to now is 51.7 secs Computing kpt #: 82 total cpu time spent up to now is 52.3 secs Computing kpt #: 83 total cpu time spent up to now is 52.9 secs Computing kpt #: 84 total cpu time spent up to now is 53.5 secs Computing kpt #: 85 total cpu time spent up to now is 54.0 secs Computing kpt #: 86 total cpu time spent up to now is 54.5 secs Computing kpt #: 87 total cpu time spent up to now is 55.1 secs Computing kpt #: 88 total cpu time spent up to now is 55.7 secs Computing kpt #: 89 total cpu time spent up to now is 56.3 secs Computing kpt #: 90 total cpu time spent up to now is 56.8 secs Computing kpt #: 91 total cpu time spent up to now is 57.3 secs Computing kpt #: 92 total cpu time spent up to now is 57.9 secs Computing kpt #: 93 total cpu time spent up to now is 58.5 secs Computing kpt #: 94 total cpu time spent up to now is 59.1 secs Computing kpt #: 95 total cpu time spent up to now is 59.7 secs Computing kpt #: 96 total cpu time spent up to now is 60.4 secs Computing kpt #: 97 total cpu time spent up to now is 61.1 secs Computing kpt #: 98 total cpu time spent up to now is 61.7 secs Computing kpt #: 99 total cpu time spent up to now is 62.4 secs Computing kpt #: 100 total cpu time spent up to now is 63.0 secs Computing kpt #: 101 total cpu time spent up to now is 63.7 secs Computing kpt #: 102 total cpu time spent up to now is 64.3 secs Computing kpt #: 103 total cpu time spent up to now is 65.0 secs Computing kpt #: 104 total cpu time spent up to now is 65.7 secs Computing kpt #: 105 total cpu time spent up to now is 66.3 secs Computing kpt #: 106 total cpu time spent up to now is 67.0 secs Computing kpt #: 107 total cpu time spent up to now is 67.7 secs Computing kpt #: 108 total cpu time spent up to now is 68.3 secs Computing kpt #: 109 total cpu time spent up to now is 68.9 secs Computing kpt #: 110 total cpu time spent up to now is 69.5 secs Computing kpt #: 111 total cpu time spent up to now is 70.0 secs Computing kpt #: 112 total cpu time spent up to now is 70.6 secs Computing kpt #: 113 total cpu time spent up to now is 71.2 secs Computing kpt #: 114 total cpu time spent up to now is 71.8 secs Computing kpt #: 115 total cpu time spent up to now is 72.4 secs Computing kpt #: 116 total cpu time spent up to now is 73.0 secs Computing kpt #: 117 total cpu time spent up to now is 73.6 secs Computing kpt #: 118 total cpu time spent up to now is 74.1 secs Computing kpt #: 119 total cpu time spent up to now is 74.7 secs Computing kpt #: 120 total cpu time spent up to now is 75.4 secs Computing kpt #: 121 total cpu time spent up to now is 76.0 secs Computing kpt #: 122 total cpu time spent up to now is 76.8 secs Computing kpt #: 123 total cpu time spent up to now is 77.6 secs Computing kpt #: 124 total cpu time spent up to now is 78.4 secs Computing kpt #: 125 total cpu time spent up to now is 79.0 secs Computing kpt #: 126 total cpu time spent up to now is 79.6 secs Computing kpt #: 127 total cpu time spent up to now is 80.2 secs Computing kpt #: 128 total cpu time spent up to now is 80.8 secs Computing kpt #: 129 total cpu time spent up to now is 81.4 secs Computing kpt #: 130 total cpu time spent up to now is 82.0 secs Computing kpt #: 131 total cpu time spent up to now is 82.6 secs Computing kpt #: 132 total cpu time spent up to now is 83.2 secs Computing kpt #: 133 total cpu time spent up to now is 83.8 secs Computing kpt #: 134 total cpu time spent up to now is 84.4 secs Computing kpt #: 135 total cpu time spent up to now is 85.0 secs Computing kpt #: 136 total cpu time spent up to now is 85.6 secs Computing kpt #: 137 total cpu time spent up to now is 86.3 secs Computing kpt #: 138 total cpu time spent up to now is 86.8 secs Computing kpt #: 139 total cpu time spent up to now is 87.4 secs Computing kpt #: 140 total cpu time spent up to now is 88.0 secs Computing kpt #: 141 total cpu time spent up to now is 88.7 secs Computing kpt #: 142 total cpu time spent up to now is 89.2 secs Computing kpt #: 143 total cpu time spent up to now is 89.8 secs Computing kpt #: 144 total cpu time spent up to now is 90.4 secs Computing kpt #: 145 total cpu time spent up to now is 90.9 secs Computing kpt #: 146 total cpu time spent up to now is 91.6 secs Computing kpt #: 147 total cpu time spent up to now is 92.2 secs Computing kpt #: 148 total cpu time spent up to now is 92.8 secs Computing kpt #: 149 total cpu time spent up to now is 93.6 secs Computing kpt #: 150 total cpu time spent up to now is 94.3 secs Computing kpt #: 151 total cpu time spent up to now is 95.1 secs Computing kpt #: 152 total cpu time spent up to now is 95.9 secs Computing kpt #: 153 total cpu time spent up to now is 96.5 secs Computing kpt #: 154 total cpu time spent up to now is 97.0 secs Computing kpt #: 155 total cpu time spent up to now is 97.7 secs Computing kpt #: 156 total cpu time spent up to now is 98.5 secs Computing kpt #: 157 total cpu time spent up to now is 99.2 secs Computing kpt #: 158 total cpu time spent up to now is 99.8 secs Computing kpt #: 159 total cpu time spent up to now is 100.5 secs Computing kpt #: 160 total cpu time spent up to now is 101.2 secs Computing kpt #: 161 total cpu time spent up to now is 101.8 secs Computing kpt #: 162 total cpu time spent up to now is 102.4 secs Computing kpt #: 163 total cpu time spent up to now is 103.0 secs Computing kpt #: 164 total cpu time spent up to now is 103.6 secs Computing kpt #: 165 total cpu time spent up to now is 104.2 secs Computing kpt #: 166 total cpu time spent up to now is 104.7 secs Computing kpt #: 167 total cpu time spent up to now is 105.3 secs Computing kpt #: 168 total cpu time spent up to now is 105.9 secs Computing kpt #: 169 total cpu time spent up to now is 106.5 secs Computing kpt #: 170 total cpu time spent up to now is 107.1 secs Computing kpt #: 171 total cpu time spent up to now is 109.9 secs Computing kpt #: 172 total cpu time spent up to now is 110.5 secs Computing kpt #: 173 total cpu time spent up to now is 111.1 secs Computing kpt #: 174 total cpu time spent up to now is 111.7 secs Computing kpt #: 175 total cpu time spent up to now is 112.2 secs Computing kpt #: 176 total cpu time spent up to now is 112.8 secs Computing kpt #: 177 total cpu time spent up to now is 113.3 secs Computing kpt #: 178 total cpu time spent up to now is 113.8 secs Computing kpt #: 179 total cpu time spent up to now is 114.3 secs Computing kpt #: 180 total cpu time spent up to now is 114.9 secs Computing kpt #: 181 total cpu time spent up to now is 115.5 secs Computing kpt #: 182 total cpu time spent up to now is 116.0 secs Computing kpt #: 183 total cpu time spent up to now is 116.5 secs Computing kpt #: 184 total cpu time spent up to now is 117.1 secs Computing kpt #: 185 total cpu time spent up to now is 117.6 secs Computing kpt #: 186 total cpu time spent up to now is 118.1 secs Computing kpt #: 187 total cpu time spent up to now is 118.6 secs Computing kpt #: 188 total cpu time spent up to now is 119.1 secs Computing kpt #: 189 total cpu time spent up to now is 119.6 secs Computing kpt #: 190 total cpu time spent up to now is 120.1 secs Computing kpt #: 191 total cpu time spent up to now is 120.7 secs Computing kpt #: 192 total cpu time spent up to now is 121.2 secs Computing kpt #: 193 total cpu time spent up to now is 121.6 secs Computing kpt #: 194 total cpu time spent up to now is 122.1 secs Computing kpt #: 195 total cpu time spent up to now is 122.7 secs Computing kpt #: 196 total cpu time spent up to now is 123.2 secs Computing kpt #: 197 total cpu time spent up to now is 123.7 secs Computing kpt #: 198 total cpu time spent up to now is 124.3 secs Computing kpt #: 199 total cpu time spent up to now is 124.8 secs Computing kpt #: 200 total cpu time spent up to now is 125.2 secs Computing kpt #: 201 total cpu time spent up to now is 125.7 secs Computing kpt #: 202 total cpu time spent up to now is 126.2 secs Computing kpt #: 203 total cpu time spent up to now is 126.7 secs Computing kpt #: 204 total cpu time spent up to now is 127.2 secs Computing kpt #: 205 total cpu time spent up to now is 127.7 secs Computing kpt #: 206 total cpu time spent up to now is 128.2 secs Computing kpt #: 207 total cpu time spent up to now is 128.7 secs Computing kpt #: 208 total cpu time spent up to now is 129.2 secs Computing kpt #: 209 total cpu time spent up to now is 129.8 secs Computing kpt #: 210 total cpu time spent up to now is 130.3 secs Computing kpt #: 211 total cpu time spent up to now is 130.9 secs Computing kpt #: 212 total cpu time spent up to now is 131.4 secs Computing kpt #: 213 total cpu time spent up to now is 131.9 secs Computing kpt #: 214 total cpu time spent up to now is 132.5 secs Computing kpt #: 215 total cpu time spent up to now is 133.1 secs Computing kpt #: 216 total cpu time spent up to now is 133.6 secs Computing kpt #: 217 total cpu time spent up to now is 134.1 secs Computing kpt #: 218 total cpu time spent up to now is 134.7 secs Computing kpt #: 219 total cpu time spent up to now is 135.3 secs Computing kpt #: 220 total cpu time spent up to now is 135.8 secs Computing kpt #: 221 total cpu time spent up to now is 136.4 secs Computing kpt #: 222 total cpu time spent up to now is 137.0 secs Computing kpt #: 223 total cpu time spent up to now is 137.6 secs Computing kpt #: 224 total cpu time spent up to now is 138.2 secs Computing kpt #: 225 total cpu time spent up to now is 138.8 secs Computing kpt #: 226 total cpu time spent up to now is 139.4 secs Computing kpt #: 227 total cpu time spent up to now is 140.0 secs Computing kpt #: 228 total cpu time spent up to now is 140.7 secs Computing kpt #: 229 total cpu time spent up to now is 141.3 secs Computing kpt #: 230 total cpu time spent up to now is 142.0 secs Computing kpt #: 231 total cpu time spent up to now is 142.7 secs Computing kpt #: 232 total cpu time spent up to now is 143.4 secs Computing kpt #: 233 total cpu time spent up to now is 144.0 secs Computing kpt #: 234 total cpu time spent up to now is 144.7 secs Computing kpt #: 235 total cpu time spent up to now is 145.2 secs Computing kpt #: 236 total cpu time spent up to now is 145.8 secs Computing kpt #: 237 total cpu time spent up to now is 146.4 secs Computing kpt #: 238 total cpu time spent up to now is 146.9 secs Computing kpt #: 239 total cpu time spent up to now is 147.4 secs Computing kpt #: 240 total cpu time spent up to now is 148.0 secs Computing kpt #: 241 total cpu time spent up to now is 148.5 secs Computing kpt #: 242 total cpu time spent up to now is 149.1 secs Computing kpt #: 243 total cpu time spent up to now is 149.6 secs Computing kpt #: 244 total cpu time spent up to now is 150.2 secs Computing kpt #: 245 total cpu time spent up to now is 150.7 secs Computing kpt #: 246 total cpu time spent up to now is 151.2 secs Computing kpt #: 247 total cpu time spent up to now is 151.7 secs Computing kpt #: 248 total cpu time spent up to now is 152.3 secs Computing kpt #: 249 total cpu time spent up to now is 152.8 secs Computing kpt #: 250 total cpu time spent up to now is 153.4 secs Computing kpt #: 251 total cpu time spent up to now is 153.9 secs Computing kpt #: 252 total cpu time spent up to now is 154.5 secs Computing kpt #: 253 total cpu time spent up to now is 155.0 secs Computing kpt #: 254 total cpu time spent up to now is 155.6 secs Computing kpt #: 255 total cpu time spent up to now is 156.1 secs Computing kpt #: 256 total cpu time spent up to now is 156.7 secs Computing kpt #: 257 total cpu time spent up to now is 157.2 secs Computing kpt #: 258 total cpu time spent up to now is 157.7 secs Computing kpt #: 259 total cpu time spent up to now is 158.3 secs Computing kpt #: 260 total cpu time spent up to now is 158.9 secs Computing kpt #: 261 total cpu time spent up to now is 159.5 secs Computing kpt #: 262 total cpu time spent up to now is 160.0 secs Computing kpt #: 263 total cpu time spent up to now is 160.6 secs Computing kpt #: 264 total cpu time spent up to now is 161.2 secs Computing kpt #: 265 total cpu time spent up to now is 161.7 secs Computing kpt #: 266 total cpu time spent up to now is 162.3 secs Computing kpt #: 267 total cpu time spent up to now is 162.9 secs Computing kpt #: 268 total cpu time spent up to now is 163.4 secs Computing kpt #: 269 total cpu time spent up to now is 164.0 secs Computing kpt #: 270 total cpu time spent up to now is 164.6 secs Computing kpt #: 271 total cpu time spent up to now is 165.1 secs Computing kpt #: 272 total cpu time spent up to now is 165.7 secs Computing kpt #: 273 total cpu time spent up to now is 166.2 secs Computing kpt #: 274 total cpu time spent up to now is 166.7 secs Computing kpt #: 275 total cpu time spent up to now is 167.2 secs Computing kpt #: 276 total cpu time spent up to now is 167.8 secs Computing kpt #: 277 total cpu time spent up to now is 168.3 secs Computing kpt #: 278 total cpu time spent up to now is 168.8 secs Computing kpt #: 279 total cpu time spent up to now is 169.3 secs Computing kpt #: 280 total cpu time spent up to now is 169.9 secs Computing kpt #: 281 total cpu time spent up to now is 170.4 secs Computing kpt #: 282 total cpu time spent up to now is 170.8 secs Computing kpt #: 283 total cpu time spent up to now is 171.4 secs Computing kpt #: 284 total cpu time spent up to now is 171.8 secs Computing kpt #: 285 total cpu time spent up to now is 172.3 secs Computing kpt #: 286 total cpu time spent up to now is 172.9 secs Computing kpt #: 287 total cpu time spent up to now is 173.3 secs Computing kpt #: 288 total cpu time spent up to now is 173.8 secs Computing kpt #: 289 total cpu time spent up to now is 174.4 secs Computing kpt #: 290 total cpu time spent up to now is 174.8 secs Computing kpt #: 291 total cpu time spent up to now is 175.3 secs Computing kpt #: 292 total cpu time spent up to now is 175.8 secs Computing kpt #: 293 total cpu time spent up to now is 176.4 secs Computing kpt #: 294 total cpu time spent up to now is 176.8 secs Computing kpt #: 295 total cpu time spent up to now is 177.4 secs Computing kpt #: 296 total cpu time spent up to now is 177.9 secs Computing kpt #: 297 total cpu time spent up to now is 178.4 secs Computing kpt #: 298 total cpu time spent up to now is 178.9 secs Computing kpt #: 299 total cpu time spent up to now is 179.4 secs Computing kpt #: 300 total cpu time spent up to now is 179.9 secs Computing kpt #: 301 total cpu time spent up to now is 180.4 secs Computing kpt #: 302 total cpu time spent up to now is 181.0 secs Computing kpt #: 303 total cpu time spent up to now is 181.5 secs Computing kpt #: 304 total cpu time spent up to now is 182.0 secs Computing kpt #: 305 total cpu time spent up to now is 182.6 secs Computing kpt #: 306 total cpu time spent up to now is 183.1 secs Computing kpt #: 307 total cpu time spent up to now is 183.7 secs Computing kpt #: 308 total cpu time spent up to now is 184.2 secs Computing kpt #: 309 total cpu time spent up to now is 184.8 secs Computing kpt #: 310 total cpu time spent up to now is 185.4 secs Computing kpt #: 311 total cpu time spent up to now is 186.0 secs Computing kpt #: 312 total cpu time spent up to now is 186.6 secs Computing kpt #: 313 total cpu time spent up to now is 187.2 secs Computing kpt #: 314 total cpu time spent up to now is 187.8 secs Computing kpt #: 315 total cpu time spent up to now is 188.5 secs Computing kpt #: 316 total cpu time spent up to now is 189.1 secs Computing kpt #: 317 total cpu time spent up to now is 189.7 secs Computing kpt #: 318 total cpu time spent up to now is 190.4 secs Computing kpt #: 319 total cpu time spent up to now is 191.1 secs Computing kpt #: 320 total cpu time spent up to now is 191.7 secs Computing kpt #: 321 total cpu time spent up to now is 192.3 secs Computing kpt #: 322 total cpu time spent up to now is 193.0 secs Computing kpt #: 323 total cpu time spent up to now is 193.7 secs Computing kpt #: 324 total cpu time spent up to now is 194.3 secs Computing kpt #: 325 total cpu time spent up to now is 195.0 secs Computing kpt #: 326 total cpu time spent up to now is 195.7 secs Computing kpt #: 327 total cpu time spent up to now is 196.4 secs Computing kpt #: 328 total cpu time spent up to now is 197.1 secs Computing kpt #: 329 total cpu time spent up to now is 197.7 secs Computing kpt #: 330 total cpu time spent up to now is 198.4 secs Computing kpt #: 331 total cpu time spent up to now is 199.1 secs Computing kpt #: 332 total cpu time spent up to now is 199.8 secs Computing kpt #: 333 total cpu time spent up to now is 200.5 secs Computing kpt #: 334 total cpu time spent up to now is 201.2 secs Computing kpt #: 335 total cpu time spent up to now is 202.0 secs Computing kpt #: 336 total cpu time spent up to now is 202.8 secs Computing kpt #: 337 total cpu time spent up to now is 203.6 secs Computing kpt #: 338 total cpu time spent up to now is 204.3 secs Computing kpt #: 339 total cpu time spent up to now is 205.1 secs ethr = 3.33E-08, avg # of iterations = 18.7 total cpu time spent up to now is 205.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7119 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0765 -6.0765 -6.0765 -6.0765 -5.6351 -5.6351 -5.6127 -5.6127 -5.6127 -5.6127 -0.0826 -0.0826 3.0332 3.0332 3.0332 3.0332 4.1365 4.1365 4.6908 4.6908 4.6908 4.6908 11.8862 11.8862 12.2613 12.2613 12.4946 12.4946 12.4946 12.4946 12.7321 12.7321 13.0162 13.0162 k = 0.0098-0.0057 0.0080 ( 7119 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0766 -6.0766 -6.0763 -6.0763 -5.6351 -5.6351 -5.6128 -5.6128 -5.6125 -5.6125 -0.0814 -0.0814 3.0319 3.0319 3.0348 3.0348 4.1367 4.1367 4.6884 4.6884 4.6929 4.6929 11.8636 11.8636 12.2406 12.2406 12.4701 12.4701 12.4832 12.4832 12.7476 12.7476 13.0403 13.0403 k = 0.0196-0.0113 0.0160 ( 7083 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0767 -6.0767 -6.0762 -6.0762 -5.6351 -5.6351 -5.6130 -5.6130 -5.6123 -5.6123 -0.0778 -0.0778 3.0308 3.0308 3.0367 3.0367 4.1372 4.1372 4.6856 4.6856 4.6947 4.6947 11.8008 11.8008 12.1849 12.1849 12.3976 12.3976 12.4579 12.4579 12.8030 12.8030 13.1040 13.1040 k = 0.0294-0.0170 0.0240 ( 7059 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0768 -6.0768 -6.0761 -6.0761 -5.6351 -5.6351 -5.6131 -5.6131 -5.6122 -5.6122 -0.0717 -0.0717 3.0299 3.0299 3.0390 3.0390 4.1382 4.1382 4.6824 4.6824 4.6965 4.6965 11.7086 11.7086 12.1037 12.1037 12.2927 12.2927 12.4340 12.4340 12.8892 12.8892 13.1920 13.1921 k = 0.0392-0.0226 0.0320 ( 7051 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0769 -6.0769 -6.0759 -6.0759 -5.6351 -5.6351 -5.6133 -5.6133 -5.6120 -5.6120 -0.0633 -0.0633 3.0293 3.0293 3.0415 3.0415 4.1395 4.1395 4.6787 4.6787 4.6982 4.6982 11.5974 11.5974 12.0046 12.0046 12.1722 12.1722 12.4158 12.4158 12.9909 12.9909 13.2935 13.2935 k = 0.0490-0.0283 0.0400 ( 7023 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0771 -6.0771 -6.0758 -6.0758 -5.6350 -5.6350 -5.6134 -5.6134 -5.6118 -5.6118 -0.0524 -0.0524 3.0288 3.0288 3.0444 3.0444 4.1412 4.1412 4.6745 4.6745 4.6999 4.6999 11.4744 11.4744 11.8934 11.8934 12.0438 12.0438 12.4026 12.4026 13.0993 13.0993 13.4019 13.4019 k = 0.0588-0.0340 0.0480 ( 7039 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0772 -6.0772 -6.0757 -6.0757 -5.6350 -5.6350 -5.6135 -5.6135 -5.6116 -5.6116 -0.0391 -0.0391 3.0285 3.0285 3.0477 3.0477 4.1432 4.1432 4.6698 4.6698 4.7016 4.7016 11.3440 11.3440 11.7739 11.7739 11.9111 11.9111 12.3926 12.3926 13.2099 13.2099 13.5140 13.5140 k = 0.0686-0.0396 0.0560 ( 7031 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0773 -6.0773 -6.0755 -6.0755 -5.6349 -5.6349 -5.6137 -5.6137 -5.6114 -5.6114 -0.0235 -0.0235 3.0284 3.0284 3.0513 3.0513 4.1457 4.1457 4.6646 4.6646 4.7035 4.7035 11.2088 11.2088 11.6484 11.6484 11.7760 11.7760 12.3845 12.3845 13.3196 13.3196 13.6275 13.6275 k = 0.0784-0.0453 0.0640 ( 7031 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0774 -6.0774 -6.0754 -6.0754 -5.6349 -5.6349 -5.6138 -5.6138 -5.6112 -5.6112 -0.0054 -0.0054 3.0284 3.0284 3.0554 3.0554 4.1485 4.1485 4.6589 4.6589 4.7055 4.7055 11.0704 11.0704 11.5184 11.5184 11.6394 11.6394 12.3774 12.3774 13.4264 13.4264 13.7410 13.7410 k = 0.0882-0.0509 0.0720 ( 7051 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0774 -6.0774 -6.0752 -6.0752 -5.6348 -5.6348 -5.6139 -5.6139 -5.6110 -5.6110 0.0150 0.0150 3.0285 3.0285 3.0598 3.0598 4.1517 4.1517 4.6527 4.6527 4.7076 4.7076 10.9300 10.9300 11.3849 11.3849 11.5019 11.5019 12.3709 12.3709 13.5278 13.5278 13.8531 13.8531 k = 0.0980-0.0566 0.0800 ( 7059 PWs) bands (ev): -37.3036 -37.3036 -36.8592 -36.8592 -6.0775 -6.0775 -6.0751 -6.0751 -5.6347 -5.6347 -5.6139 -5.6139 -5.6108 -5.6108 0.0377 0.0377 3.0287 3.0287 3.0647 3.0647 4.1552 4.1552 4.6462 4.6462 4.7100 4.7100 10.7883 10.7883 11.2484 11.2484 11.3639 11.3639 12.3647 12.3647 13.6210 13.6210 13.9611 13.9611 k = 0.1078-0.0623 0.0881 ( 7067 PWs) bands (ev): -37.3036 -37.3036 -36.8592 -36.8592 -6.0776 -6.0776 -6.0750 -6.0750 -5.6346 -5.6346 -5.6140 -5.6140 -5.6106 -5.6106 0.0628 0.0628 3.0290 3.0290 3.0699 3.0699 4.1592 4.1592 4.6394 4.6394 4.7125 4.7125 10.6456 10.6456 11.1094 11.1094 11.2257 11.2257 12.3587 12.3587 13.7012 13.7012 14.0608 14.0608 k = 0.1176-0.0679 0.0961 ( 7067 PWs) bands (ev): -37.3036 -37.3036 -36.8592 -36.8592 -6.0777 -6.0777 -6.0748 -6.0748 -5.6345 -5.6345 -5.6141 -5.6141 -5.6104 -5.6104 0.0903 0.0903 3.0293 3.0293 3.0756 3.0756 4.1635 4.1635 4.6323 4.6323 4.7153 4.7153 10.5023 10.5023 10.9684 10.9684 11.0876 11.0876 12.3527 12.3527 13.7602 13.7602 14.1450 14.1450 k = 0.1275-0.0736 0.1041 ( 7075 PWs) bands (ev): -37.3035 -37.3035 -36.8592 -36.8592 -6.0777 -6.0777 -6.0747 -6.0747 -5.6344 -5.6344 -5.6141 -5.6141 -5.6102 -5.6102 0.1200 0.1200 3.0296 3.0296 3.0818 3.0818 4.1681 4.1681 4.6252 4.6252 4.7183 4.7183 10.3585 10.3585 10.8257 10.8257 10.9500 10.9500 12.3467 12.3467 13.7868 13.7868 14.2059 14.2059 k = 0.1373-0.0792 0.1121 ( 7075 PWs) bands (ev): -37.3035 -37.3035 -36.8593 -36.8593 -6.0778 -6.0778 -6.0746 -6.0746 -5.6344 -5.6344 -5.6142 -5.6142 -5.6100 -5.6100 0.1520 0.1520 3.0299 3.0299 3.0884 3.0884 4.1731 4.1731 4.6180 4.6180 4.7216 4.7216 10.2144 10.2144 10.6815 10.6815 10.8129 10.8129 12.3407 12.3407 13.7744 13.7744 14.2583 14.2583 k = 0.1471-0.0849 0.1201 ( 7063 PWs) bands (ev): -37.3034 -37.3034 -36.8593 -36.8593 -6.0778 -6.0778 -6.0744 -6.0744 -5.6343 -5.6343 -5.6142 -5.6142 -5.6098 -5.6098 0.1862 0.1862 3.0302 3.0302 3.0954 3.0954 4.1783 4.1783 4.6109 4.6109 4.7251 4.7251 10.0700 10.0700 10.5362 10.5362 10.6768 10.6768 12.3347 12.3347 13.7301 13.7301 14.3207 14.3207 k = 0.1569-0.0906 0.1281 ( 7063 PWs) bands (ev): -37.3034 -37.3034 -36.8593 -36.8593 -6.0779 -6.0779 -6.0743 -6.0743 -5.6342 -5.6342 -5.6142 -5.6142 -5.6096 -5.6096 0.2226 0.2226 3.0305 3.0305 3.1029 3.1029 4.1838 4.1838 4.6040 4.6040 4.7289 4.7289 9.9251 9.9251 10.3903 10.3903 10.5419 10.5419 12.3286 12.3286 13.6672 13.6672 14.3943 14.3943 k = 0.1667-0.0962 0.1361 ( 7055 PWs) bands (ev): -37.3033 -37.3033 -36.8594 -36.8594 -6.0779 -6.0779 -6.0742 -6.0742 -5.6340 -5.6340 -5.6143 -5.6143 -5.6094 -5.6094 0.2612 0.2612 3.0307 3.0307 3.1109 3.1109 4.1896 4.1896 4.5974 4.5974 4.7331 4.7331 9.7796 9.7796 10.2442 10.2442 10.4083 10.4083 12.3226 12.3226 13.5953 13.5953 14.4756 14.4756 k = 0.1765-0.1019 0.1441 ( 7047 PWs) bands (ev): -37.3033 -37.3033 -36.8594 -36.8594 -6.0779 -6.0779 -6.0741 -6.0741 -5.6339 -5.6339 -5.6143 -5.6143 -5.6092 -5.6092 0.3019 0.3019 3.0308 3.0308 3.1193 3.1193 4.1955 4.1955 4.5914 4.5914 4.7375 4.7375 9.6333 9.6333 10.0984 10.0984 10.2763 10.2763 12.3165 12.3165 13.5202 13.5202 14.5619 14.5619 k = 0.1863-0.1075 0.1521 ( 7039 PWs) bands (ev): -37.3032 -37.3032 -36.8594 -36.8594 -6.0780 -6.0780 -6.0740 -6.0740 -5.6338 -5.6338 -5.6143 -5.6143 -5.6090 -5.6090 0.3447 0.3447 3.0308 3.0308 3.1283 3.1283 4.2015 4.2015 4.5859 4.5859 4.7423 4.7423 9.4862 9.4862 9.9535 9.9535 10.1460 10.1460 12.3105 12.3105 13.4447 13.4447 14.6518 14.6518 k = 0.1961-0.1132 0.1601 ( 7047 PWs) bands (ev): -37.3032 -37.3032 -36.8594 -36.8594 -6.0780 -6.0780 -6.0739 -6.0739 -5.6337 -5.6337 -5.6142 -5.6142 -5.6088 -5.6088 0.3896 0.3896 3.0306 3.0306 3.1377 3.1377 4.2076 4.2076 4.5813 4.5813 4.7474 4.7474 9.3378 9.3378 9.8102 9.8102 10.0176 10.0176 12.3045 12.3045 13.3705 13.3705 14.7448 14.7448 k = 0.2059-0.1189 0.1681 ( 7047 PWs) bands (ev): -37.3031 -37.3031 -36.8595 -36.8595 -6.0780 -6.0780 -6.0737 -6.0737 -5.6336 -5.6336 -5.6142 -5.6142 -5.6086 -5.6086 0.4364 0.4364 3.0303 3.0303 3.1477 3.1477 4.2136 4.2136 4.5776 4.5776 4.7528 4.7528 9.1881 9.1881 9.6691 9.6691 9.8911 9.8911 12.2987 12.2987 13.2986 13.2986 14.8404 14.8404 k = 0.2157-0.1245 0.1761 ( 7055 PWs) bands (ev): -37.3031 -37.3031 -36.8595 -36.8595 -6.0780 -6.0780 -6.0736 -6.0736 -5.6335 -5.6335 -5.6142 -5.6142 -5.6084 -5.6084 0.4851 0.4851 3.0297 3.0297 3.1582 3.1582 4.2195 4.2195 4.5749 4.5749 4.7587 4.7587 9.0369 9.0369 9.5306 9.5306 9.7668 9.7668 12.2929 12.2929 13.2294 13.2294 14.9385 14.9385 k = 0.2255-0.1302 0.1841 ( 7039 PWs) bands (ev): -37.3030 -37.3030 -36.8596 -36.8596 -6.0779 -6.0779 -6.0736 -6.0736 -5.6334 -5.6334 -5.6142 -5.6142 -5.6081 -5.6081 0.5356 0.5356 3.0289 3.0289 3.1694 3.1694 4.2252 4.2252 4.5736 4.5736 4.7649 4.7649 8.8843 8.8843 9.3952 9.3952 9.6446 9.6446 12.2872 12.2872 13.1632 13.1632 15.0392 15.0392 k = 0.2353-0.1358 0.1921 ( 7043 PWs) bands (ev): -37.3030 -37.3030 -36.8596 -36.8596 -6.0779 -6.0779 -6.0735 -6.0735 -5.6333 -5.6333 -5.6141 -5.6141 -5.6079 -5.6079 0.5879 0.5879 3.0278 3.0278 3.1811 3.1811 4.2306 4.2306 4.5736 4.5736 4.7715 4.7715 8.7302 8.7302 9.2634 9.2634 9.5246 9.5246 12.2816 12.2816 13.1001 13.1001 15.1424 15.1424 k = 0.2451-0.1415 0.2001 ( 7059 PWs) bands (ev): -37.3029 -37.3029 -36.8596 -36.8596 -6.0779 -6.0779 -6.0734 -6.0734 -5.6332 -5.6332 -5.6141 -5.6141 -5.6077 -5.6077 0.6419 0.6419 3.0264 3.0264 3.1934 3.1934 4.2355 4.2355 4.5752 4.5752 4.7786 4.7786 8.5748 8.5748 9.1353 9.1353 9.4071 9.4071 12.2762 12.2762 13.0401 13.0401 15.2482 15.2482 k = 0.2549-0.1472 0.2081 ( 7059 PWs) bands (ev): -37.3029 -37.3029 -36.8597 -36.8597 -6.0779 -6.0779 -6.0733 -6.0733 -5.6331 -5.6331 -5.6140 -5.6140 -5.6075 -5.6075 0.6974 0.6974 3.0247 3.0247 3.2064 3.2064 4.2399 4.2399 4.5784 4.5784 4.7861 4.7861 8.4184 8.4184 9.0111 9.0111 9.2919 9.2919 12.2710 12.2710 12.9834 12.9834 15.3566 15.3566 k = 0.2647-0.1528 0.2161 ( 7035 PWs) bands (ev): -37.3028 -37.3028 -36.8597 -36.8597 -6.0778 -6.0778 -6.0732 -6.0732 -5.6330 -5.6330 -5.6140 -5.6140 -5.6073 -5.6073 0.7544 0.7544 3.0226 3.0226 3.2202 3.2202 4.2438 4.2438 4.5833 4.5833 4.7940 4.7940 8.2613 8.2613 8.8908 8.8908 9.1794 9.1794 12.2659 12.2659 12.9297 12.9297 15.4677 15.4677 k = 0.2745-0.1585 0.2241 ( 7043 PWs) bands (ev): -37.3028 -37.3028 -36.8597 -36.8597 -6.0778 -6.0778 -6.0732 -6.0732 -5.6328 -5.6328 -5.6140 -5.6140 -5.6071 -5.6071 0.8127 0.8127 3.0201 3.0201 3.2347 3.2347 4.2469 4.2469 4.5901 4.5901 4.8024 4.8024 8.1040 8.1040 8.7746 8.7746 9.0695 9.0695 12.2610 12.2610 12.8790 12.8790 15.5815 15.5815 k = 0.2843-0.1641 0.2321 ( 7051 PWs) bands (ev): -37.3027 -37.3027 -36.8598 -36.8598 -6.0777 -6.0777 -6.0731 -6.0731 -5.6327 -5.6327 -5.6139 -5.6139 -5.6068 -5.6068 0.8721 0.8721 3.0172 3.0172 3.2501 3.2501 4.2494 4.2494 4.5986 4.5986 4.8113 4.8113 7.9467 7.9467 8.6624 8.6624 8.9624 8.9624 12.2564 12.2564 12.8312 12.8312 15.6979 15.6979 k = 0.2941-0.1698 0.2401 ( 7047 PWs) bands (ev): -37.3026 -37.3026 -36.8598 -36.8598 -6.0777 -6.0777 -6.0731 -6.0731 -5.6326 -5.6326 -5.6139 -5.6139 -5.6066 -5.6066 0.9325 0.9325 3.0138 3.0138 3.2664 3.2664 4.2511 4.2511 4.6090 4.6090 4.8206 4.8206 7.7900 7.7900 8.5542 8.5542 8.8582 8.8582 12.2520 12.2520 12.7862 12.7862 15.8171 15.8171 k = 0.3039-0.1755 0.2482 ( 7051 PWs) bands (ev): -37.3026 -37.3026 -36.8598 -36.8598 -6.0776 -6.0776 -6.0730 -6.0730 -5.6325 -5.6325 -5.6138 -5.6138 -5.6064 -5.6064 0.9938 0.9938 3.0100 3.0100 3.2836 3.2836 4.2521 4.2521 4.6211 4.6211 4.8304 4.8304 7.6341 7.6341 8.4499 8.4499 8.7570 8.7570 12.2479 12.2479 12.7440 12.7440 15.9390 15.9390 k = 0.3137-0.1811 0.2562 ( 7043 PWs) bands (ev): -37.3025 -37.3025 -36.8599 -36.8599 -6.0775 -6.0775 -6.0730 -6.0730 -5.6324 -5.6324 -5.6138 -5.6138 -5.6062 -5.6062 1.0557 1.0557 3.0057 3.0057 3.3020 3.3020 4.2522 4.2522 4.6349 4.6349 4.8407 4.8407 7.4796 7.4796 8.3497 8.3497 8.6589 8.6589 12.2440 12.2440 12.7043 12.7043 16.0636 16.0636 k = 0.3235-0.1868 0.2642 ( 7043 PWs) bands (ev): -37.3025 -37.3025 -36.8599 -36.8599 -6.0774 -6.0774 -6.0730 -6.0730 -5.6323 -5.6323 -5.6137 -5.6137 -5.6060 -5.6060 1.1180 1.1180 3.0009 3.0009 3.3215 3.3215 4.2515 4.2515 4.6504 4.6504 4.8515 4.8515 7.3267 7.3267 8.2536 8.2536 8.5642 8.5642 12.2404 12.2404 12.6671 12.6671 16.1910 16.1910 k = 0.3333-0.1925 0.2722 ( 7019 PWs) bands (ev): -37.3024 -37.3024 -36.8599 -36.8599 -6.0773 -6.0773 -6.0730 -6.0730 -5.6322 -5.6322 -5.6137 -5.6137 -5.6058 -5.6058 1.1804 1.1804 2.9956 2.9956 3.3422 3.3422 4.2499 4.2499 4.6674 4.6674 4.8627 4.8627 7.1759 7.1759 8.1616 8.1616 8.4728 8.4728 12.2370 12.2370 12.6323 12.6323 16.3211 16.3211 k = 0.3431-0.1981 0.2802 ( 7047 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0773 -6.0773 -6.0729 -6.0729 -5.6321 -5.6321 -5.6137 -5.6137 -5.6056 -5.6056 1.2427 1.2427 2.9899 2.9899 3.3643 3.3643 4.2473 4.2473 4.6860 4.6860 4.8744 4.8744 7.0276 7.0276 8.0737 8.0737 8.3850 8.3850 12.2340 12.2340 12.5999 12.5999 16.4538 16.4538 k = 0.3529-0.2038 0.2882 ( 7055 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0772 -6.0772 -6.0729 -6.0729 -5.6320 -5.6320 -5.6136 -5.6136 -5.6054 -5.6054 1.3045 1.3045 2.9837 2.9837 3.3878 3.3878 4.2437 4.2437 4.7059 4.7059 4.8864 4.8864 6.8820 6.8820 7.9901 7.9901 8.3009 8.3009 12.2313 12.2313 12.5696 12.5696 16.5892 16.5892 k = 0.3627-0.2094 0.2962 ( 7055 PWs) bands (ev): -37.3023 -37.3023 -36.8600 -36.8600 -6.0771 -6.0771 -6.0729 -6.0729 -5.6319 -5.6319 -5.6136 -5.6136 -5.6052 -5.6052 1.3655 1.3655 2.9770 2.9770 3.4129 3.4129 4.2389 4.2389 4.7271 4.7271 4.8988 4.8988 6.7396 6.7396 7.9108 7.9108 8.2208 8.2208 12.2289 12.2289 12.5415 12.5415 16.7272 16.7272 k = 0.3725-0.2151 0.3042 ( 7055 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8601 -6.0770 -6.0770 -6.0729 -6.0729 -5.6318 -5.6318 -5.6136 -5.6136 -5.6050 -5.6050 1.4254 1.4254 2.9701 2.9701 3.4396 3.4396 4.2328 4.2328 4.7497 4.7497 4.9115 4.9115 6.6008 6.6008 7.8360 7.8360 8.1448 8.1448 12.2268 12.2268 12.5155 12.5155 16.8679 16.8679 k = 0.3824-0.2208 0.3122 ( 7055 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0769 -6.0769 -6.0729 -6.0729 -5.6318 -5.6318 -5.6135 -5.6135 -5.6049 -5.6049 1.4837 1.4837 2.9628 2.9628 3.4681 3.4681 4.2253 4.2253 4.7735 4.7735 4.9244 4.9244 6.4660 6.4660 7.7658 7.7658 8.0731 8.0731 12.2251 12.2251 12.4914 12.4914 17.0110 17.0110 k = 0.3922-0.2264 0.3202 ( 7043 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0768 -6.0768 -6.0730 -6.0730 -5.6317 -5.6317 -5.6135 -5.6135 -5.6047 -5.6047 1.5400 1.5400 2.9552 2.9552 3.4982 3.4982 4.2161 4.2161 4.7985 4.7985 4.9375 4.9375 6.3354 6.3354 7.7004 7.7004 8.0059 8.0059 12.2237 12.2237 12.4693 12.4693 17.1566 17.1566 k = 0.4020-0.2321 0.3282 ( 7051 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0767 -6.0767 -6.0730 -6.0730 -5.6316 -5.6316 -5.6135 -5.6135 -5.6045 -5.6045 1.5939 1.5939 2.9476 2.9476 3.5301 3.5301 4.2051 4.2051 4.8247 4.8247 4.9507 4.9507 6.2096 6.2096 7.6399 7.6399 7.9434 7.9434 12.2226 12.2226 12.4490 12.4490 17.3046 17.3046 k = 0.4118-0.2377 0.3362 ( 7059 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0766 -6.0766 -6.0730 -6.0730 -5.6315 -5.6315 -5.6135 -5.6135 -5.6044 -5.6044 1.6448 1.6448 2.9399 2.9399 3.5637 3.5637 4.1921 4.1921 4.8518 4.8518 4.9642 4.9642 6.0889 6.0889 7.5844 7.5844 7.8860 7.8860 12.2219 12.2219 12.4306 12.4306 17.4549 17.4549 k = 0.4216-0.2434 0.3442 ( 7075 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0765 -6.0765 -6.0730 -6.0730 -5.6315 -5.6315 -5.6135 -5.6135 -5.6043 -5.6043 1.6923 1.6923 2.9323 2.9323 3.5989 3.5989 4.1769 4.1769 4.8797 4.8797 4.9783 4.9783 5.9738 5.9738 7.5342 7.5342 7.8337 7.8337 12.2214 12.2214 12.4141 12.4141 17.6073 17.6073 k = 0.4314-0.2491 0.3522 ( 7067 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0764 -6.0764 -6.0731 -6.0731 -5.6314 -5.6314 -5.6134 -5.6134 -5.6042 -5.6042 1.7358 1.7358 2.9249 2.9249 3.6354 3.6354 4.1594 4.1594 4.9077 4.9077 4.9935 4.9935 5.8645 5.8645 7.4894 7.4894 7.7869 7.7869 12.2212 12.2212 12.3993 12.3993 17.7617 17.7617 k = 0.4412-0.2547 0.3602 ( 7059 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0764 -6.0764 -6.0731 -6.0731 -5.6314 -5.6314 -5.6134 -5.6134 -5.6041 -5.6041 1.7749 1.7749 2.9180 2.9180 3.6730 3.6730 4.1395 4.1395 4.9342 4.9342 5.0114 5.0114 5.7616 5.7616 7.4502 7.4502 7.7458 7.7458 12.2213 12.2213 12.3864 12.3864 17.9178 17.9178 k = 0.4510-0.2604 0.3682 ( 7062 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0763 -6.0763 -6.0731 -6.0731 -5.6313 -5.6313 -5.6134 -5.6134 -5.6040 -5.6040 1.8090 1.8090 2.9117 2.9117 3.7111 3.7111 4.1174 4.1174 4.9570 4.9570 5.0344 5.0344 5.6654 5.6654 7.4167 7.4167 7.7105 7.7105 12.2215 12.2215 12.3753 12.3753 18.0752 18.0752 k = 0.4608-0.2660 0.3762 ( 7066 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0763 -6.0763 -6.0731 -6.0731 -5.6313 -5.6313 -5.6134 -5.6134 -5.6039 -5.6039 1.8376 1.8376 2.9062 2.9062 3.7489 3.7489 4.0934 4.0934 4.9741 4.9741 5.0643 5.0643 5.5764 5.5764 7.3891 7.3891 7.6814 7.6814 12.2218 12.2218 12.3662 12.3662 18.2331 18.2331 k = 0.4706-0.2717 0.3842 ( 7066 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0762 -6.0762 -6.0731 -6.0731 -5.6313 -5.6313 -5.6134 -5.6134 -5.6039 -5.6039 1.8604 1.8604 2.9016 2.9016 3.7851 3.7851 4.0685 4.0685 4.9857 4.9857 5.1007 5.1007 5.4952 5.4952 7.3675 7.3675 7.6585 7.6585 12.2222 12.2222 12.3589 12.3589 18.3898 18.3898 k = 0.4804-0.2774 0.3922 ( 7062 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8603 -6.0762 -6.0762 -6.0732 -6.0732 -5.6312 -5.6312 -5.6134 -5.6134 -5.6038 -5.6038 1.8769 1.8769 2.8983 2.8983 3.8175 3.8175 4.0443 4.0443 4.9932 4.9932 5.1412 5.1412 5.4233 5.4233 7.3520 7.3520 7.6420 7.6420 12.2226 12.2226 12.3537 12.3537 18.5413 18.5413 k = 0.4902-0.2830 0.4002 ( 7054 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0762 -6.0762 -6.0732 -6.0732 -5.6312 -5.6312 -5.6134 -5.6134 -5.6038 -5.6038 1.8870 1.8870 2.8962 2.8962 3.8419 3.8419 4.0251 4.0251 4.9975 4.9975 5.1806 5.1806 5.3652 5.3652 7.3427 7.3427 7.6321 7.6321 12.2228 12.2228 12.3505 12.3505 18.6744 18.6744 k = 0.5000-0.2887 0.4082 ( 7046 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0761 -6.0761 -6.0732 -6.0732 -5.6312 -5.6312 -5.6134 -5.6134 -5.6038 -5.6038 1.8903 1.8903 2.8955 2.8955 3.8514 3.8514 4.0173 4.0173 4.9988 4.9988 5.2009 5.2009 5.3387 5.3387 7.3395 7.3395 7.6288 7.6288 12.2229 12.2229 12.3494 12.3494 18.7395 18.7395 k = 0.5000-0.2887 0.4082 ( 7046 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0761 -6.0761 -6.0732 -6.0732 -5.6312 -5.6312 -5.6134 -5.6134 -5.6038 -5.6038 1.8903 1.8903 2.8955 2.8955 3.8514 3.8514 4.0173 4.0173 4.9988 4.9988 5.2009 5.2009 5.3387 5.3387 7.3395 7.3395 7.6288 7.6288 12.2229 12.2229 12.3494 12.3494 18.7395 18.7395 k = 0.5000-0.2776 0.4161 ( 7058 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8603 -6.0762 -6.0761 -6.0734 -6.0729 -5.6313 -5.6312 -5.6136 -5.6132 -5.6039 -5.6037 1.8874 1.8931 2.8940 2.8987 3.8288 3.8715 4.0177 4.0191 4.9876 5.0079 5.1946 5.2087 5.3339 5.3415 7.3318 7.3471 7.6262 7.6309 12.2227 12.2297 12.3531 12.3533 18.7175 18.7296 k = 0.5000-0.2665 0.4240 ( 7058 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0763 -6.0760 -6.0736 -6.0727 -5.6313 -5.6311 -5.6138 -5.6130 -5.6040 -5.6036 1.8842 1.8957 2.8941 2.9035 3.8047 3.8877 4.0216 4.0223 4.9746 5.0144 5.1885 5.2186 5.3280 5.3418 7.3234 7.3549 7.6227 7.6331 12.2290 12.2430 12.3643 12.3645 18.6559 18.6763 k = 0.5000-0.2554 0.4318 ( 7058 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0764 -6.0759 -6.0738 -6.0725 -5.6314 -5.6311 -5.6140 -5.6127 -5.6042 -5.6035 1.8810 1.8981 2.8958 2.9099 3.7797 3.8989 4.0262 4.0302 4.9605 5.0183 5.1810 5.2307 5.3224 5.3398 7.3137 7.3630 7.6183 7.6357 12.2419 12.2629 12.3829 12.3832 18.5475 18.5731 k = 0.5000-0.2443 0.4397 ( 7066 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0765 -6.0758 -6.0740 -6.0722 -5.6314 -5.6310 -5.6142 -5.6125 -5.6044 -5.6035 1.8776 1.9004 2.8992 2.9180 3.7542 3.9047 4.0306 4.0435 4.9457 5.0196 5.1702 5.2440 5.3189 5.3363 7.3021 7.3713 7.6130 7.6393 12.2612 12.2891 12.4090 12.4091 18.4047 18.4350 k = 0.5000-0.2332 0.4475 ( 7058 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0767 -6.0757 -6.0742 -6.0720 -5.6314 -5.6310 -5.6144 -5.6123 -5.6045 -5.6034 1.8741 1.9024 2.9041 2.9276 3.7286 3.9059 4.0351 4.0609 4.9306 5.0186 5.1546 5.2561 5.3189 5.3339 7.2881 7.3794 7.6070 7.6444 12.2868 12.3215 12.4422 12.4424 18.2420 18.2770 k = 0.5000-0.2221 0.4554 ( 7046 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0768 -6.0757 -6.0744 -6.0718 -5.6315 -5.6309 -5.6146 -5.6120 -5.6047 -5.6034 1.8706 1.9042 2.9105 2.9388 3.7031 3.9035 4.0395 4.0810 4.9154 5.0154 5.1339 5.2624 5.3230 5.3370 7.2712 7.3868 7.6009 7.6513 12.3188 12.3600 12.4824 12.4830 18.0680 18.1077 k = 0.5000-0.2110 0.4632 ( 7042 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0769 -6.0756 -6.0746 -6.0716 -5.6315 -5.6308 -5.6148 -5.6118 -5.6049 -5.6034 1.8670 1.9058 2.9185 2.9515 3.6778 3.8988 4.0438 4.1026 4.9003 5.0105 5.1085 5.2592 5.3310 5.3493 7.2512 7.3925 7.5953 7.6599 12.3568 12.4043 12.5296 12.5306 17.8879 17.9321 k = 0.5000-0.1999 0.4711 ( 7044 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0770 -6.0755 -6.0748 -6.0714 -5.6315 -5.6308 -5.6149 -5.6115 -5.6051 -5.6034 1.8633 1.9073 2.9279 2.9656 3.6528 3.8925 4.0478 4.1248 4.8855 5.0039 5.0793 5.2483 5.3425 5.3693 7.2281 7.3954 7.5914 7.6703 12.4007 12.4541 12.5835 12.5851 17.7048 17.7533 k = 0.5000-0.1887 0.4789 ( 7048 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0771 -6.0755 -6.0749 -6.0711 -5.6316 -5.6307 -5.6151 -5.6113 -5.6053 -5.6034 1.8597 1.9085 2.9388 2.9811 3.6282 3.8849 4.0516 4.1471 4.8709 4.9956 5.0472 5.2333 5.3568 5.3936 7.2020 7.3943 7.5901 7.6823 12.4504 12.5092 12.6440 12.6461 17.5207 17.5735 k = 0.5000-0.1776 0.4868 ( 7052 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0773 -6.0754 -6.0751 -6.0709 -5.6316 -5.6306 -5.6152 -5.6110 -5.6055 -5.6034 1.8561 1.9096 2.9510 2.9978 3.6040 3.8766 4.0550 4.1689 4.8565 4.9856 5.0134 5.2165 5.3735 5.4204 7.1733 7.3887 7.5922 7.6955 12.5055 12.5693 12.7110 12.7135 17.3370 17.3939 k = 0.5000-0.1665 0.4946 ( 7044 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0774 -6.0753 -6.0752 -6.0708 -5.6316 -5.6306 -5.6153 -5.6107 -5.6057 -5.6035 1.8525 1.9105 2.9644 3.0158 3.5803 3.8675 4.0581 4.1900 4.8421 4.9739 4.9788 5.1991 5.3922 5.4486 7.1422 7.3782 7.5976 7.7096 12.5659 12.6339 12.7840 12.7867 17.1547 17.2158 k = 0.5000-0.1554 0.5025 ( 7042 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0775 -6.0753 -6.0753 -6.0706 -5.6317 -5.6305 -5.6155 -5.6105 -5.6059 -5.6036 1.8491 1.9112 2.9790 3.0349 3.5571 3.8579 4.0608 4.2102 4.8274 4.9444 4.9604 5.1822 5.4126 5.4778 7.1092 7.3635 7.6059 7.7242 12.6311 12.7026 12.8629 12.8655 16.9748 17.0398 k = 0.5000-0.1443 0.5103 ( 7044 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0777 -6.0754 -6.0752 -6.0704 -5.6317 -5.6304 -5.6156 -5.6102 -5.6061 -5.6036 1.8457 1.9119 2.9948 3.0548 3.5343 3.8478 4.0631 4.2292 4.8117 4.9116 4.9453 5.1663 5.4344 5.5073 7.0748 7.3454 7.6163 7.7389 12.7009 12.7751 12.9471 12.9493 16.7978 16.8668 k = 0.5000-0.1332 0.5182 ( 7044 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0778 -6.0755 -6.0752 -6.0702 -5.6317 -5.6304 -5.6157 -5.6100 -5.6063 -5.6037 1.8424 1.9123 3.0116 3.0756 3.5119 3.8373 4.0650 4.2469 4.7941 4.8818 4.9286 5.1520 5.4573 5.5369 7.0394 7.3248 7.6280 7.7536 12.7748 12.8509 13.0361 13.0375 16.6247 16.6974 k = 0.5000-0.1221 0.5260 ( 7040 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0779 -6.0756 -6.0751 -6.0701 -5.6317 -5.6303 -5.6158 -5.6097 -5.6065 -5.6038 1.8394 1.9127 3.0292 3.0969 3.4899 3.8265 4.0665 4.2632 4.7736 4.8567 4.9108 5.1394 5.4811 5.5662 7.0035 7.3026 7.6404 7.7678 12.8523 12.9293 13.1294 13.1295 16.4559 16.5323 k = 0.5000-0.1110 0.5339 ( 7042 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0780 -6.0757 -6.0751 -6.0699 -5.6318 -5.6302 -5.6159 -5.6095 -5.6067 -5.6039 1.8365 1.9130 3.0477 3.1186 3.4683 3.8154 4.0677 4.2780 4.7499 4.8370 4.8922 5.1285 5.5053 5.5949 6.9676 7.2794 7.6528 7.7814 12.9327 13.0097 13.2245 13.2263 16.2923 16.3721 k = 0.5000-0.0999 0.5417 ( 7034 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0781 -6.0757 -6.0751 -6.0698 -5.6318 -5.6302 -5.6160 -5.6092 -5.6069 -5.6041 1.8338 1.9132 3.0670 3.1404 3.4470 3.8040 4.0685 4.2911 4.7244 4.8220 4.8735 5.1193 5.5297 5.6225 6.9323 7.2561 7.6649 7.7942 13.0153 13.0914 13.3214 13.3256 16.1348 16.2178 k = 0.5000-0.0888 0.5496 ( 7038 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0782 -6.0758 -6.0750 -6.0697 -5.6318 -5.6301 -5.6160 -5.6090 -5.6071 -5.6042 1.8313 1.9133 3.0868 3.1619 3.4260 3.7926 4.0690 4.3026 4.6986 4.8104 4.8552 5.1116 5.5537 5.6488 6.8981 7.2331 7.6763 7.8060 13.0991 13.1732 13.4189 13.4264 15.9843 16.0701 k = 0.5000-0.0777 0.5574 ( 7058 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0783 -6.0758 -6.0750 -6.0696 -5.6318 -5.6301 -5.6161 -5.6088 -5.6072 -5.6043 1.8290 1.9134 3.1070 3.1828 3.4052 3.7813 4.0692 4.3123 4.6741 4.8013 4.8377 5.1052 5.5770 5.6733 6.8656 7.2111 7.6868 7.8167 13.1830 13.2541 13.5156 13.5271 15.8422 15.9304 k = 0.5000-0.0666 0.5653 ( 7054 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0784 -6.0759 -6.0750 -6.0695 -5.6318 -5.6300 -5.6162 -5.6085 -5.6074 -5.6044 1.8271 1.9134 3.1277 3.2027 3.3845 3.7702 4.0692 4.3204 4.6519 4.7939 4.8217 5.1000 5.5989 5.6956 6.8355 7.1907 7.6962 7.8261 13.2652 13.3324 13.6093 13.6258 15.7102 15.8001 k = 0.5000-0.0555 0.5731 ( 7064 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0785 -6.0759 -6.0749 -6.0694 -5.6318 -5.6300 -5.6162 -5.6083 -5.6075 -5.6046 1.8254 1.9134 3.1485 3.2210 3.3640 3.7598 4.0691 4.3268 4.6325 4.7880 4.8074 5.0958 5.6189 5.7154 6.8084 7.1724 7.7044 7.8342 13.3437 13.4061 13.6975 13.7200 15.5903 15.6811 k = 0.5000-0.0444 0.5810 ( 7068 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0785 -6.0760 -6.0749 -6.0693 -5.6319 -5.6300 -5.6162 -5.6082 -5.6076 -5.6047 1.8240 1.9134 3.1694 3.2372 3.3436 3.7503 4.0689 4.3316 4.6164 4.7833 4.7953 5.0925 5.6365 5.7322 6.7851 7.1566 7.7112 7.8410 13.4159 13.4727 13.7772 13.8066 15.4852 15.5760 k = 0.5000-0.0333 0.5888 ( 7064 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0760 -6.0749 -6.0693 -5.6319 -5.6299 -5.6163 -5.6080 -5.6077 -5.6048 1.8229 1.9134 3.1902 3.2507 3.3233 3.7423 4.0686 4.3351 4.6039 4.7798 4.7856 5.0900 5.6509 5.7457 6.7660 7.1438 7.7165 7.8462 13.4785 13.5295 13.8448 13.8815 15.3980 15.4880 k = 0.5000-0.0222 0.5967 ( 7078 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0760 -6.0749 -6.0692 -5.6319 -5.6299 -5.6163 -5.6079 -5.6077 -5.6049 1.8221 1.9134 3.2104 3.2608 3.3037 3.7361 4.0684 4.3374 4.5949 4.7773 4.7785 5.0883 5.6617 5.7556 6.7519 7.1344 7.7204 7.8500 13.5274 13.5733 13.8967 13.9403 15.3322 15.4207 k = 0.5000-0.0111 0.6045 ( 7072 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0760 -6.0749 -6.0692 -5.6319 -5.6299 -5.6163 -5.6078 -5.6078 -5.6049 1.8216 1.9134 3.2286 3.2672 3.2858 3.7321 4.0683 4.3386 4.5895 4.7742 4.7758 5.0873 5.6683 5.7617 6.7433 7.1286 7.7228 7.8523 13.5589 13.6011 13.9294 13.9781 15.2911 15.3782 k = 0.5000 0.0000 0.6124 ( 7060 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0760 -6.0749 -6.0692 -5.6319 -5.6299 -5.6163 -5.6078 -5.6078 -5.6049 1.8214 1.9134 3.2381 3.2693 3.2764 3.7308 4.0682 4.3390 4.5877 4.7727 4.7753 5.0869 5.6706 5.7637 6.7404 7.1267 7.7235 7.8531 13.5698 13.6106 13.9406 13.9912 15.2771 15.3637 k = 0.5000 0.0000 0.6124 ( 7060 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0760 -6.0749 -6.0692 -5.6319 -5.6299 -5.6163 -5.6078 -5.6078 -5.6049 1.8214 1.9134 3.2381 3.2693 3.2764 3.7308 4.0682 4.3390 4.5877 4.7727 4.7753 5.0869 5.6706 5.7637 6.7404 7.1267 7.7235 7.8531 13.5698 13.6106 13.9406 13.9912 15.2771 15.3637 k = 0.4931 0.0120 0.6124 ( 7071 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0760 -6.0749 -6.0692 -5.6319 -5.6299 -5.6163 -5.6079 -5.6077 -5.6049 1.8208 1.9126 3.2311 3.2694 3.2817 3.7320 4.0672 4.3394 4.5888 4.7705 4.7786 5.0861 5.6668 5.7660 6.7426 7.1271 7.7259 7.8567 13.5569 13.6001 13.9384 13.9922 15.2822 15.3705 k = 0.4861 0.0241 0.6124 ( 7075 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0760 -6.0748 -6.0692 -5.6319 -5.6299 -5.6163 -5.6081 -5.6076 -5.6049 1.8192 1.9102 3.2157 3.2698 3.2926 3.7353 4.0642 4.3407 4.5918 4.7694 4.7826 5.0835 5.6568 5.7715 6.7487 7.1281 7.7332 7.8676 13.5176 13.5632 13.9382 13.9973 15.3002 15.3913 k = 0.4792 0.0361 0.6124 ( 7065 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0761 -6.0748 -6.0693 -5.6319 -5.6299 -5.6163 -5.6082 -5.6075 -5.6048 1.8166 1.9065 3.1975 3.2693 3.3052 3.7403 4.0596 4.3430 4.5965 4.7700 4.7867 5.0790 5.6426 5.7780 6.7580 7.1290 7.7460 7.8855 13.4538 13.4980 13.9464 14.0066 15.3327 15.4260 k = 0.4722 0.0481 0.6124 ( 7059 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0762 -6.0747 -6.0693 -5.6318 -5.6300 -5.6162 -5.6083 -5.6075 -5.6048 1.8133 1.9017 3.1785 3.2680 3.3179 3.7466 4.0538 4.3463 4.6027 4.7716 4.7911 5.0727 5.6258 5.7840 6.7695 7.1294 7.7647 7.9100 13.3698 13.4102 13.9621 14.0188 15.3790 15.4734 k = 0.4653 0.0601 0.6124 ( 7050 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0785 -6.0762 -6.0746 -6.0694 -5.6318 -5.6300 -5.6162 -5.6085 -5.6075 -5.6047 1.8095 1.8960 3.1595 3.2660 3.3304 3.7538 4.0471 4.3503 4.6104 4.7738 4.7960 5.0645 5.6075 5.7887 6.7823 7.1292 7.7894 7.9402 13.2706 13.3081 13.9817 14.0325 15.4374 15.5324 k = 0.4583 0.0722 0.6124 ( 7042 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0785 -6.0763 -6.0745 -6.0695 -5.6318 -5.6300 -5.6162 -5.6086 -5.6075 -5.6046 1.8053 1.8897 3.1412 3.2634 3.3422 3.7615 4.0401 4.3547 4.6193 4.7762 4.8018 5.0546 5.5882 5.7920 6.7956 7.1282 7.8201 7.9753 13.1614 13.1982 14.0025 14.0466 15.5061 15.6012 k = 0.4514 0.0842 0.6124 ( 7055 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0784 -6.0764 -6.0744 -6.0696 -5.6318 -5.6301 -5.6161 -5.6088 -5.6075 -5.6045 1.8009 1.8828 3.1238 3.2605 3.3533 3.7696 4.0330 4.3592 4.6296 4.7783 4.8085 5.0431 5.5686 5.7939 6.8087 7.1265 7.8562 8.0140 13.0470 13.0851 14.0227 14.0603 15.5835 15.6783 k = 0.4444 0.0962 0.6124 ( 7049 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0784 -6.0765 -6.0743 -6.0696 -5.6317 -5.6301 -5.6161 -5.6089 -5.6075 -5.6044 1.7965 1.8757 3.1076 3.2574 3.3635 3.7778 4.0261 4.3636 4.6411 4.7800 4.8160 5.0300 5.5488 5.7946 6.8209 7.1243 7.8972 8.0553 12.9317 12.9716 14.0411 14.0734 15.6680 15.7624 k = 0.4375 0.1083 0.6124 ( 7056 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0783 -6.0766 -6.0742 -6.0697 -5.6317 -5.6302 -5.6160 -5.6091 -5.6075 -5.6043 1.7921 1.8685 3.0927 3.2541 3.3729 3.7858 4.0197 4.3676 4.6538 4.7815 4.8241 5.0158 5.5294 5.7943 6.8321 7.1217 7.9418 8.0977 12.8188 12.8604 14.0571 14.0859 15.7585 15.8522 k = 0.4306 0.1203 0.6124 ( 7047 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0782 -6.0767 -6.0741 -6.0699 -5.6317 -5.6302 -5.6160 -5.6092 -5.6075 -5.6042 1.7879 1.8615 3.0793 3.2508 3.3814 3.7934 4.0139 4.3711 4.6678 4.7827 4.8324 5.0005 5.5106 5.7933 6.8420 7.1189 7.9888 8.1400 12.7112 12.7536 14.0706 14.0975 15.8537 15.9465 k = 0.4236 0.1323 0.6124 ( 7043 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0782 -6.0768 -6.0739 -6.0700 -5.6316 -5.6303 -5.6159 -5.6094 -5.6075 -5.6041 1.7840 1.8547 3.0674 3.2477 3.3889 3.8006 4.0087 4.3740 4.6828 4.7838 4.8404 4.9845 5.4927 5.7917 6.8505 7.1160 8.0367 8.1807 12.6112 12.6531 14.0814 14.1084 15.9526 16.0442 k = 0.4167 0.1443 0.6124 ( 7050 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0781 -6.0769 -6.0738 -6.0701 -5.6316 -5.6303 -5.6158 -5.6095 -5.6075 -5.6040 1.7804 1.8485 3.0570 3.2448 3.3954 3.8070 4.0043 4.3763 4.6987 4.7848 4.8475 4.9683 5.4761 5.7900 6.8576 7.1133 8.0840 8.2185 12.5207 12.5609 14.0901 14.1181 16.0539 16.1439 k = 0.4097 0.1564 0.6124 ( 7049 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0780 -6.0770 -6.0737 -6.0702 -5.6315 -5.6304 -5.6158 -5.6096 -5.6075 -5.6039 1.7774 1.8429 3.0482 3.2421 3.4009 3.8127 4.0006 4.3780 4.7153 4.7859 4.8529 4.9527 5.4612 5.7881 6.8635 7.1108 8.1288 8.2521 12.4416 12.4786 14.0968 14.1265 16.1561 16.2438 k = 0.4028 0.1684 0.6124 ( 7041 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0779 -6.0771 -6.0736 -6.0703 -5.6315 -5.6304 -5.6158 -5.6098 -5.6075 -5.6039 1.7748 1.8381 3.0411 3.2399 3.4055 3.8174 3.9977 4.3792 4.7322 4.7874 4.8553 4.9387 5.4484 5.7864 6.8681 7.1087 8.1694 8.2804 12.3754 12.4078 14.1020 14.1335 16.2574 16.3413 k = 0.3958 0.1804 0.6124 ( 7037 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0779 -6.0772 -6.0735 -6.0704 -5.6315 -5.6305 -5.6157 -5.6098 -5.6076 -5.6038 1.7728 1.8342 3.0355 3.2381 3.4090 3.8212 3.9956 4.3799 4.7483 4.7898 4.8532 4.9278 5.4379 5.7849 6.8717 7.1069 8.2041 8.3025 12.3233 12.3501 14.1058 14.1390 16.3549 16.4318 k = 0.3889 0.1925 0.6124 ( 7039 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0778 -6.0773 -6.0734 -6.0704 -5.6314 -5.6305 -5.6157 -5.6099 -5.6076 -5.6038 1.7713 1.8314 3.0315 3.2368 3.4115 3.8239 3.9940 4.3804 4.7617 4.7947 4.8458 4.9211 5.4301 5.7838 6.8741 7.1057 8.2310 8.3180 12.2862 12.3069 14.1084 14.1429 16.4438 16.5072 k = 0.3819 0.2045 0.6124 ( 7034 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0777 -6.0774 -6.0734 -6.0705 -5.6314 -5.6305 -5.6157 -5.6100 -5.6076 -5.6037 1.7704 1.8296 3.0291 3.2360 3.4130 3.8256 3.9932 4.3806 4.7696 4.8042 4.8342 4.9180 5.4253 5.7831 6.8756 7.1049 8.2481 8.3270 12.2646 12.2797 14.1099 14.1452 16.5152 16.5542 k = 0.3750 0.2165 0.6124 ( 7030 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0777 -6.0774 -6.0734 -6.0705 -5.6314 -5.6306 -5.6157 -5.6100 -5.6076 -5.6037 1.7701 1.8291 3.0283 3.2357 3.4135 3.8261 3.9929 4.3807 4.7719 4.8137 4.8242 4.9172 5.4237 5.7828 6.8760 7.1046 8.2540 8.3300 12.2577 12.2702 14.1104 14.1460 16.5517 16.5619 k = 0.3750 0.2165 0.6124 ( 7030 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0777 -6.0774 -6.0734 -6.0705 -5.6314 -5.6306 -5.6157 -5.6100 -5.6076 -5.6037 1.7701 1.8291 3.0283 3.2357 3.4135 3.8261 3.9929 4.3807 4.7719 4.8137 4.8242 4.9172 5.4237 5.7828 6.8760 7.1046 8.2540 8.3300 12.2577 12.2702 14.1104 14.1460 16.5517 16.5619 k = 0.3681 0.2125 0.6010 ( 7050 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0778 -6.0775 -6.0733 -6.0705 -5.6314 -5.6306 -5.6157 -5.6100 -5.6077 -5.6038 1.7539 1.8124 3.0387 3.2619 3.3938 3.8141 3.9911 4.3977 4.7428 4.7838 4.8102 4.9036 5.4490 5.8268 6.8654 7.0882 8.3348 8.4121 12.2560 12.2697 14.2706 14.3025 16.4275 16.4374 k = 0.3611 0.2085 0.5897 ( 7038 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0778 -6.0776 -6.0732 -6.0705 -5.6313 -5.6306 -5.6157 -5.6100 -5.6079 -5.6039 1.7360 1.7936 3.0487 3.2851 3.3753 3.8006 3.9917 4.4123 4.7056 4.7540 4.8078 4.8919 5.4770 5.8705 6.8603 7.0766 8.4186 8.4974 12.2544 12.2692 14.4301 14.4580 16.3063 16.3159 k = 0.3542 0.2045 0.5784 ( 7040 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0779 -6.0776 -6.0730 -6.0705 -5.6313 -5.6306 -5.6156 -5.6101 -5.6080 -5.6039 1.7161 1.7726 3.0581 3.3033 3.3589 3.7853 3.9956 4.4242 4.6671 4.7250 4.8107 4.8819 5.5078 5.9134 6.8610 7.0705 8.5055 8.5855 12.2529 12.2687 14.5875 14.6111 16.1881 16.1974 k = 0.3472 0.2005 0.5670 ( 7038 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0780 -6.0777 -6.0729 -6.0706 -5.6313 -5.6306 -5.6156 -5.6102 -5.6081 -5.6040 1.6944 1.7494 3.0668 3.3120 3.3483 3.7680 4.0035 4.4331 4.6301 4.6970 4.8168 4.8734 5.5419 5.9554 6.8677 7.0705 8.5951 8.6764 12.2514 12.2683 14.7413 14.7604 16.0730 16.0819 k = 0.3403 0.1965 0.5557 ( 7040 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0780 -6.0777 -6.0728 -6.0707 -5.6312 -5.6307 -5.6156 -5.6104 -5.6082 -5.6041 1.6705 1.7240 3.0749 3.3062 3.3481 3.7487 4.0158 4.4385 4.5959 4.6704 4.8253 4.8663 5.5795 5.9962 6.8806 7.0774 8.6875 8.7700 12.2499 12.2679 14.8896 14.9041 15.9610 15.9695 k = 0.3333 0.1925 0.5443 ( 7034 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0781 -6.0778 -6.0728 -6.0708 -5.6312 -5.6307 -5.6155 -5.6105 -5.6082 -5.6041 1.6446 1.6962 3.0824 3.2926 3.3511 3.7272 4.0326 4.4402 4.5656 4.6452 4.8352 4.8607 5.6211 6.0358 6.8997 7.0915 8.7824 8.8661 12.2486 12.2677 15.0306 15.0405 15.8522 15.8601 k = 0.3264 0.1884 0.5330 ( 7044 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0781 -6.0778 -6.0727 -6.0709 -5.6312 -5.6308 -5.6155 -5.6107 -5.6083 -5.6042 1.6165 1.6660 3.0891 3.2773 3.3515 3.7038 4.0538 4.4379 4.5400 4.6214 4.8457 4.8566 5.6672 6.0742 6.9250 7.1133 8.8797 8.9646 12.2474 12.2675 15.1620 15.1675 15.7465 15.7540 k = 0.3194 0.1844 0.5217 ( 7031 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0782 -6.0778 -6.0726 -6.0710 -5.6312 -5.6309 -5.6154 -5.6109 -5.6083 -5.6043 1.5863 1.6336 3.0951 3.2617 3.3481 3.6785 4.0786 4.4314 4.5198 4.5991 4.8541 4.8562 5.7183 6.1117 6.9566 7.1429 8.9793 9.0654 12.2463 12.2675 15.2814 15.2830 15.6439 15.6515 k = 0.3125 0.1804 0.5103 ( 7035 PWs) bands (ev): -37.3022 -37.3022 -36.8602 -36.8601 -6.0783 -6.0777 -6.0725 -6.0712 -5.6312 -5.6310 -5.6154 -5.6112 -5.6084 -5.6043 1.5539 1.5988 3.1005 3.2464 3.3411 3.6515 4.1062 4.4212 4.5048 4.5782 4.8530 4.8658 5.7748 6.1488 6.9943 7.1803 9.0810 9.1684 12.2453 12.2676 15.3843 15.3843 15.5444 15.5548 k = 0.3056 0.1764 0.4990 ( 7041 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0783 -6.0777 -6.0724 -6.0713 -5.6312 -5.6310 -5.6153 -5.6114 -5.6085 -5.6044 1.5193 1.5617 3.1052 3.2314 3.3313 3.6233 4.1356 4.4088 4.4937 4.5586 4.8535 4.8740 5.8371 6.1863 7.0380 7.2255 9.1849 9.2735 12.2444 12.2679 15.4265 15.4480 15.4681 15.5060 k = 0.2986 0.1724 0.4876 ( 7057 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0784 -6.0777 -6.0724 -6.0715 -5.6312 -5.6311 -5.6152 -5.6116 -5.6085 -5.6044 1.4825 1.5223 3.1093 3.2169 3.3192 3.5942 4.1658 4.3957 4.4852 4.5402 4.8554 4.8804 5.9056 6.2251 7.0875 7.2780 9.2907 9.3806 12.2437 12.2683 15.3470 15.3546 15.5285 15.5637 k = 0.2917 0.1684 0.4763 ( 7055 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0784 -6.0776 -6.0723 -6.0717 -5.6312 -5.6312 -5.6151 -5.6118 -5.6086 -5.6045 1.4437 1.4809 3.1128 3.2028 3.3056 3.5645 4.1959 4.3832 4.4781 4.5229 4.8585 4.8846 5.9802 6.2661 7.1427 7.3375 9.3984 9.4895 12.2432 12.2689 15.2563 15.2643 15.5554 15.6140 k = 0.2847 0.1644 0.4649 ( 7057 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0785 -6.0775 -6.0723 -6.0719 -5.6313 -5.6312 -5.6150 -5.6120 -5.6088 -5.6045 1.4029 1.4375 3.1158 3.1892 3.2910 3.5346 4.2249 4.3717 4.4718 4.5067 4.8627 4.8865 6.0612 6.3105 7.2032 7.4035 9.5078 9.6003 12.2428 12.2697 15.1663 15.1770 15.5387 15.6391 k = 0.2778 0.1604 0.4536 ( 7053 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0785 -6.0775 -6.0723 -6.0721 -5.6315 -5.6312 -5.6149 -5.6122 -5.6089 -5.6046 1.3602 1.3921 3.1182 3.1761 3.2761 3.5048 4.2523 4.3614 4.4661 4.4914 4.8675 4.8861 6.1484 6.3591 7.2689 7.4755 9.6188 9.7127 12.2426 12.2707 15.0779 15.0925 15.4837 15.6193 k = 0.2708 0.1564 0.4423 ( 7049 PWs) bands (ev): -37.3023 -37.3023 -36.8600 -36.8600 -6.0786 -6.0774 -6.0723 -6.0722 -5.6316 -5.6313 -5.6148 -5.6123 -5.6090 -5.6047 1.3158 1.3451 3.1201 3.1635 3.2611 3.4755 4.2776 4.3524 4.4610 4.4772 4.8727 4.8837 6.2417 6.4130 7.3395 7.5531 9.7313 9.8267 12.2426 12.2719 14.9911 15.0107 15.4063 15.5228 k = 0.2639 0.1524 0.4309 ( 7053 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0786 -6.0773 -6.0725 -6.0722 -5.6317 -5.6313 -5.6147 -5.6125 -5.6092 -5.6047 1.2698 1.2965 3.1216 3.1514 3.2464 3.4469 4.3002 4.3443 4.4565 4.4642 4.8777 4.8792 6.3410 6.4729 7.4149 7.6358 9.8451 9.9422 12.2428 12.2733 14.9054 14.9314 15.3169 15.4204 k = 0.2569 0.1483 0.4196 ( 7057 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0786 -6.0772 -6.0727 -6.0722 -5.6318 -5.6314 -5.6146 -5.6127 -5.6093 -5.6048 1.2223 1.2465 3.1226 3.1399 3.2321 3.4193 4.3197 4.3370 4.4526 4.4528 4.8731 4.8823 6.4460 6.5393 7.4947 7.7233 9.9602 10.0589 12.2431 12.2749 14.8204 14.8544 15.2200 15.3166 k = 0.2500 0.1443 0.4082 ( 7069 PWs) bands (ev): -37.3025 -37.3025 -36.8600 -36.8599 -6.0787 -6.0771 -6.0729 -6.0722 -5.6319 -5.6314 -5.6145 -5.6128 -5.6095 -5.6048 1.1736 1.1954 3.1233 3.1289 3.2184 3.3927 4.3302 4.3355 4.4433 4.4498 4.8655 4.8860 6.5566 6.6128 7.5787 7.8153 10.0764 10.1769 12.2437 12.2768 14.7355 14.7790 15.1183 15.2135 k = 0.2431 0.1403 0.3969 ( 7065 PWs) bands (ev): -37.3025 -37.3025 -36.8600 -36.8599 -6.0787 -6.0770 -6.0732 -6.0722 -5.6321 -5.6315 -5.6144 -5.6130 -5.6097 -5.6049 1.1237 1.1434 3.1185 3.1236 3.2055 3.3673 4.3237 4.3466 4.4372 4.4479 4.8567 4.8886 6.6724 6.6936 7.6669 7.9114 10.1936 10.2958 12.2444 12.2789 14.6501 14.7046 15.0144 15.1132 k = 0.2361 0.1363 0.3856 ( 7069 PWs) bands (ev): -37.3025 -37.3025 -36.8599 -36.8599 -6.0788 -6.0769 -6.0734 -6.0722 -5.6322 -5.6316 -5.6142 -5.6131 -5.6099 -5.6050 1.0730 1.0906 3.1088 3.1235 3.1933 3.3431 4.3174 4.3518 4.4357 4.4471 4.8469 4.8898 6.7816 6.7933 7.7590 8.0114 10.3115 10.4157 12.2454 12.2812 14.5633 14.6299 14.9115 15.0174 k = 0.2292 0.1323 0.3742 ( 7085 PWs) bands (ev): -37.3026 -37.3026 -36.8599 -36.8599 -6.0788 -6.0768 -6.0736 -6.0722 -5.6323 -5.6317 -5.6141 -5.6132 -5.6101 -5.6050 1.0217 1.0373 3.0996 3.1231 3.1818 3.3202 4.3109 4.3509 4.4392 4.4476 4.8364 4.8897 6.8769 6.9191 7.8548 8.1150 10.4299 10.5362 12.2466 12.2837 14.4745 14.5531 14.8129 14.9278 k = 0.2222 0.1283 0.3629 ( 7069 PWs) bands (ev): -37.3026 -37.3026 -36.8599 -36.8598 -6.0788 -6.0767 -6.0738 -6.0723 -5.6325 -5.6318 -5.6140 -5.6134 -5.6103 -5.6051 0.9698 0.9836 3.0911 3.1223 3.1710 3.2986 4.3042 4.3455 4.4463 4.4492 4.8254 4.8881 6.9792 7.0495 7.9542 8.2222 10.5488 10.6573 12.2480 12.2865 14.3835 14.4722 14.7219 14.8453 k = 0.2153 0.1243 0.3515 ( 7077 PWs) bands (ev): -37.3027 -37.3027 -36.8598 -36.8598 -6.0788 -6.0766 -6.0740 -6.0723 -5.6326 -5.6319 -5.6139 -5.6135 -5.6105 -5.6052 0.9177 0.9298 3.0832 3.1213 3.1609 3.2783 4.2972 4.3372 4.4521 4.4556 4.8141 4.8852 7.0884 7.1844 8.0571 8.3327 10.6678 10.7786 12.2497 12.2895 14.2901 14.3855 14.6413 14.7705 k = 0.2083 0.1203 0.3402 ( 7081 PWs) bands (ev): -37.3027 -37.3027 -36.8598 -36.8598 -6.0789 -6.0765 -6.0743 -6.0724 -5.6327 -5.6320 -5.6138 -5.6136 -5.6107 -5.6053 0.8655 0.8761 3.0759 3.1200 3.1514 3.2593 4.2900 4.3275 4.4562 4.4658 4.8027 4.8810 7.2040 7.3236 8.1632 8.4464 10.7867 10.9000 12.2515 12.2928 14.1948 14.2929 14.5717 14.7034 k = 0.2014 0.1163 0.3289 ( 7065 PWs) bands (ev): -37.3028 -37.3028 -36.8598 -36.8597 -6.0789 -6.0764 -6.0745 -6.0724 -5.6328 -5.6321 -5.6137 -5.6137 -5.6110 -5.6054 0.8134 0.8226 3.0693 3.1185 3.1425 3.2415 4.2825 4.3170 4.4613 4.4764 4.7913 4.8757 7.3258 7.4669 8.2726 8.5632 10.9052 11.0211 12.2537 12.2963 14.0981 14.1957 14.5125 14.6438 k = 0.1944 0.1123 0.3175 ( 7081 PWs) bands (ev): -37.3028 -37.3028 -36.8597 -36.8597 -6.0789 -6.0763 -6.0747 -6.0725 -5.6330 -5.6323 -5.6138 -5.6135 -5.6112 -5.6056 0.7616 0.7695 3.0632 3.1167 3.1342 3.2249 4.2748 4.3062 4.4675 4.4872 4.7800 4.8695 7.4535 7.6141 8.3851 8.6829 11.0229 11.1416 12.2561 12.3001 14.0007 14.0959 14.4621 14.5914 k = 0.1875 0.1083 0.3062 ( 7073 PWs) bands (ev): -37.3029 -37.3029 -36.8597 -36.8597 -6.0789 -6.0762 -6.0749 -6.0726 -5.6331 -5.6324 -5.6139 -5.6134 -5.6114 -5.6057 0.7102 0.7171 3.0578 3.1146 3.1264 3.2093 4.2670 4.2952 4.4746 4.4980 4.7691 4.8625 7.5866 7.7650 8.5006 8.8055 11.1396 11.2612 12.2588 12.3043 13.9033 13.9953 14.4193 14.5458 k = 0.1806 0.1042 0.2948 ( 7075 PWs) bands (ev): -37.3029 -37.3029 -36.8597 -36.8596 -6.0789 -6.0761 -6.0750 -6.0726 -5.6332 -5.6325 -5.6140 -5.6133 -5.6116 -5.6059 0.6595 0.6654 3.0528 3.1123 3.1191 3.1948 4.2590 4.2842 4.4825 4.5088 4.7586 4.8549 7.7249 7.9196 8.6190 8.9309 11.2548 11.3794 12.2618 12.3087 13.8066 13.8950 14.3833 14.5067 k = 0.1736 0.1002 0.2835 ( 7075 PWs) bands (ev): -37.3030 -37.3030 -36.8596 -36.8596 -6.0789 -6.0760 -6.0752 -6.0727 -5.6333 -5.6327 -5.6140 -5.6132 -5.6118 -5.6061 0.6096 0.6146 3.0484 3.1098 3.1121 3.1813 4.2510 4.2734 4.4911 4.5195 4.7486 4.8468 7.8680 8.0776 8.7402 9.0590 11.3679 11.4956 12.2653 12.3136 13.7112 13.7961 14.3537 14.4738 k = 0.1667 0.0962 0.2722 ( 7085 PWs) bands (ev): -37.3030 -37.3030 -36.8596 -36.8596 -6.0789 -6.0760 -6.0754 -6.0728 -5.6334 -5.6328 -5.6141 -5.6131 -5.6120 -5.6062 0.5606 0.5648 3.0444 3.1056 3.1071 3.1687 4.2429 4.2628 4.5002 4.5302 4.7392 4.8384 8.0156 8.2389 8.8641 9.1896 11.4785 11.6093 12.2693 12.3189 13.6175 13.6990 14.3302 14.4469 k = 0.1597 0.0922 0.2608 ( 7073 PWs) bands (ev): -37.3031 -37.3031 -36.8596 -36.8595 -6.0789 -6.0759 -6.0755 -6.0729 -5.6335 -5.6330 -5.6142 -5.6130 -5.6122 -5.6064 0.5127 0.5163 3.0409 3.0994 3.1042 3.1570 4.2350 4.2525 4.5099 4.5408 4.7304 4.8299 8.1676 8.4032 8.9906 9.3228 11.5859 11.7196 12.2740 12.3248 13.5260 13.6044 14.3130 14.4260 k = 0.1528 0.0882 0.2495 ( 7077 PWs) bands (ev): -37.3031 -37.3031 -36.8595 -36.8595 -6.0789 -6.0758 -6.0757 -6.0730 -5.6336 -5.6331 -5.6142 -5.6129 -5.6124 -5.6066 0.4660 0.4690 3.0378 3.0936 3.1012 3.1461 4.2272 4.2425 4.5200 4.5514 4.7222 4.8212 8.3235 8.5706 9.1197 9.4584 11.6892 11.8256 12.2798 12.3315 13.4370 13.5125 14.3023 14.4105 k = 0.1458 0.0842 0.2381 ( 7077 PWs) bands (ev): -37.3032 -37.3032 -36.8595 -36.8595 -6.0788 -6.0758 -6.0758 -6.0731 -5.6337 -5.6333 -5.6143 -5.6128 -5.6125 -5.6069 0.4207 0.4232 3.0351 3.0880 3.0979 3.1359 4.2195 4.2328 4.5303 4.5618 4.7147 4.8126 8.4831 8.7407 9.2512 9.5963 11.7876 11.9260 12.2874 12.3393 13.3509 13.4237 14.2981 14.3937 k = 0.1389 0.0802 0.2268 ( 7073 PWs) bands (ev): -37.3032 -37.3032 -36.8595 -36.8594 -6.0788 -6.0760 -6.0758 -6.0733 -5.6339 -5.6334 -5.6143 -5.6127 -5.6126 -5.6071 0.3768 0.3789 3.0327 3.0828 3.0946 3.1264 4.2120 4.2235 4.5409 4.5721 4.7079 4.8041 8.6462 8.9135 9.3851 9.7365 11.8799 12.0185 12.2982 12.3487 13.2679 13.3381 14.3008 14.3450 k = 0.1319 0.0762 0.2155 ( 7057 PWs) bands (ev): -37.3033 -37.3033 -36.8594 -36.8594 -6.0787 -6.0761 -6.0757 -6.0734 -5.6340 -5.6335 -5.6143 -5.6128 -5.6127 -5.6074 0.3344 0.3361 3.0306 3.0778 3.0910 3.1176 4.2048 4.2147 4.5516 4.5822 4.7019 4.7958 8.8126 9.0887 9.5212 9.8788 11.9647 12.0997 12.3149 12.3603 13.1884 13.2561 14.2942 14.3132 k = 0.1250 0.0722 0.2041 ( 7057 PWs) bands (ev): -37.3033 -37.3033 -36.8594 -36.8594 -6.0787 -6.0762 -6.0757 -6.0735 -5.6341 -5.6337 -5.6143 -5.6129 -5.6126 -5.6076 0.2938 0.2951 3.0289 3.0731 3.0874 3.1095 4.1979 4.2063 4.5624 4.5922 4.6965 4.7876 8.9821 9.2661 9.6596 10.0232 12.0403 12.1636 12.3427 12.3752 13.1127 13.1779 14.2467 14.3144 k = 0.1181 0.0682 0.1928 ( 7065 PWs) bands (ev): -37.3034 -37.3034 -36.8594 -36.8593 -6.0786 -6.0763 -6.0757 -6.0737 -5.6341 -5.6338 -5.6144 -5.6130 -5.6125 -5.6079 0.2548 0.2559 3.0273 3.0686 3.0836 3.1019 4.1913 4.1983 4.5731 4.6019 4.6918 4.7797 9.1543 9.4455 9.8000 10.1694 12.1046 12.2060 12.3852 12.3947 13.0411 13.1038 14.1978 14.2589 k = 0.1111 0.0642 0.1814 ( 7061 PWs) bands (ev): -37.3034 -37.3034 -36.8593 -36.8593 -6.0786 -6.0763 -6.0757 -6.0738 -5.6342 -5.6340 -5.6144 -5.6131 -5.6125 -5.6082 0.2177 0.2186 3.0261 3.0644 3.0797 3.0949 4.1850 4.1909 4.5837 4.6114 4.6878 4.7721 9.3292 9.6268 9.9424 10.3174 12.1560 12.2305 12.4197 12.4379 12.9742 13.0341 14.1480 14.1987 k = 0.1042 0.0601 0.1701 ( 7065 PWs) bands (ev): -37.3034 -37.3034 -36.8593 -36.8593 -6.0785 -6.0764 -6.0757 -6.0739 -5.6343 -5.6341 -5.6144 -5.6131 -5.6124 -5.6084 0.1825 0.1832 3.0250 3.0604 3.0758 3.0885 4.1791 4.1839 4.5942 4.6205 4.6845 4.7648 9.5064 9.8094 10.0866 10.4670 12.1941 12.2450 12.4496 12.4924 12.9124 12.9693 14.0971 14.1347 k = 0.0972 0.0561 0.1588 ( 7065 PWs) bands (ev): -37.3035 -37.3035 -36.8593 -36.8593 -6.0784 -6.0765 -6.0758 -6.0741 -5.6344 -5.6342 -5.6144 -5.6132 -5.6124 -5.6087 0.1493 0.1498 3.0242 3.0567 3.0717 3.0825 4.1736 4.1775 4.6044 4.6293 4.6818 4.7578 9.6857 9.9932 10.2328 10.6179 12.2206 12.2545 12.4819 12.5430 12.8569 12.9101 14.0445 14.0670 k = 0.0903 0.0521 0.1474 ( 7067 PWs) bands (ev): -37.3035 -37.3035 -36.8592 -36.8592 -6.0783 -6.0765 -6.0758 -6.0742 -5.6345 -5.6343 -5.6143 -5.6132 -5.6124 -5.6090 0.1181 0.1185 3.0236 3.0532 3.0677 3.0771 4.1684 4.1715 4.6143 4.6377 4.6796 4.7512 9.8670 10.1775 10.3808 10.7700 12.2381 12.2614 12.5123 12.5859 12.8091 12.8580 13.9897 13.9956 k = 0.0833 0.0481 0.1361 ( 7067 PWs) bands (ev): -37.3036 -37.3036 -36.8592 -36.8592 -6.0782 -6.0766 -6.0758 -6.0744 -5.6346 -5.6345 -5.6143 -5.6132 -5.6123 -5.6093 0.0890 0.0893 3.0232 3.0499 3.0636 3.0722 4.1636 4.1661 4.6238 4.6456 4.6781 4.7448 10.0499 10.3617 10.5308 10.9230 12.2492 12.2669 12.5359 12.6175 12.7717 12.8160 13.9205 13.9322 k = 0.0764 0.0441 0.1247 ( 7063 PWs) bands (ev): -37.3036 -37.3036 -36.8592 -36.8592 -6.0781 -6.0766 -6.0759 -6.0746 -5.6347 -5.6346 -5.6142 -5.6132 -5.6123 -5.6096 0.0620 0.0622 3.0230 3.0469 3.0596 3.0676 4.1592 4.1611 4.6329 4.6530 4.6770 4.7388 10.2341 10.5444 10.6834 11.0766 12.2557 12.2716 12.5477 12.6319 12.7483 12.7898 13.8417 13.8713 k = 0.0694 0.0401 0.1134 ( 7057 PWs) bands (ev): -37.3036 -37.3036 -36.8592 -36.8592 -6.0780 -6.0766 -6.0759 -6.0747 -5.6347 -5.6347 -5.6142 -5.6132 -5.6123 -5.6099 0.0372 0.0374 3.0229 3.0442 3.0557 3.0634 4.1552 4.1566 4.6415 4.6599 4.6765 4.7331 10.4192 10.7236 10.8399 11.2304 12.2587 12.2761 12.5455 12.6254 12.7403 12.7834 13.7591 13.8063 k = 0.0625 0.0361 0.1021 ( 7047 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0779 -6.0767 -6.0760 -6.0749 -5.6348 -5.6347 -5.6141 -5.6132 -5.6123 -5.6102 0.0147 0.0148 3.0231 3.0417 3.0521 3.0594 4.1516 4.1527 4.6495 4.6662 4.6764 4.7276 10.6047 10.8960 11.0023 11.3838 12.2589 12.2807 12.5326 12.6045 12.7441 12.7909 13.6729 13.7366 k = 0.0556 0.0321 0.0907 ( 7045 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0777 -6.0767 -6.0760 -6.0751 -5.6349 -5.6348 -5.6140 -5.6131 -5.6123 -5.6105 -0.0056 -0.0055 3.0234 3.0396 3.0487 3.0557 4.1484 4.1491 4.6569 4.6719 4.6768 4.7225 10.7902 11.0589 11.1722 11.5362 12.2570 12.2859 12.5154 12.5789 12.7534 12.8029 13.5834 13.6615 k = 0.0486 0.0281 0.0794 ( 7055 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0776 -6.0767 -6.0761 -6.0752 -5.6349 -5.6349 -5.6139 -5.6131 -5.6124 -5.6108 -0.0235 -0.0234 3.0240 3.0377 3.0456 3.0522 4.1456 4.1461 4.6636 4.6769 4.6776 4.7177 10.9745 11.2119 11.3477 11.6866 12.2539 12.2926 12.4984 12.5537 12.7635 12.8146 13.4911 13.5803 k = 0.0417 0.0241 0.0680 ( 7043 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0774 -6.0766 -6.0761 -6.0754 -5.6350 -5.6350 -5.6138 -5.6130 -5.6124 -5.6111 -0.0391 -0.0391 3.0247 3.0361 3.0428 3.0489 4.1432 4.1435 4.6695 4.6788 4.6812 4.7131 11.1566 11.3561 11.5253 11.8334 12.2510 12.3017 12.4838 12.5314 12.7717 12.8239 13.3970 13.4925 k = 0.0347 0.0200 0.0567 ( 7043 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0773 -6.0766 -6.0762 -6.0756 -5.6350 -5.6350 -5.6136 -5.6130 -5.6124 -5.6114 -0.0524 -0.0524 3.0256 3.0348 3.0403 3.0458 4.1411 4.1413 4.6747 4.6805 4.6848 4.7088 11.3340 11.4911 11.7010 11.9732 12.2516 12.3149 12.4728 12.5127 12.7761 12.8292 13.3033 13.3977 k = 0.0278 0.0160 0.0454 ( 7039 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0771 -6.0766 -6.0763 -6.0758 -5.6351 -5.6351 -5.6135 -5.6129 -5.6125 -5.6117 -0.0632 -0.0632 3.0267 3.0338 3.0382 3.0429 4.1394 4.1395 4.6788 4.6826 4.6876 4.7047 11.5032 11.6145 11.8708 12.0962 12.2650 12.3351 12.4658 12.4985 12.7753 12.8288 13.2135 13.2954 k = 0.0208 0.0120 0.0340 ( 7057 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0770 -6.0766 -6.0763 -6.0759 -5.6351 -5.6351 -5.6133 -5.6129 -5.6125 -5.6119 -0.0717 -0.0717 3.0281 3.0331 3.0364 3.0402 4.1381 4.1382 4.6821 4.6852 4.6896 4.7009 11.6568 11.7220 12.0272 12.1762 12.3169 12.3661 12.4636 12.4893 12.7675 12.8185 13.1331 13.1884 k = 0.0139 0.0080 0.0227 ( 7081 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0768 -6.0765 -6.0764 -6.0761 -5.6351 -5.6351 -5.6131 -5.6128 -5.6126 -5.6122 -0.0778 -0.0778 3.0296 3.0328 3.0350 3.0377 4.1372 4.1372 4.6850 4.6876 4.6908 4.6973 11.7819 11.8077 12.1559 12.2141 12.4026 12.4131 12.4677 12.4866 12.7533 12.7913 13.0697 13.0925 k = 0.0069 0.0040 0.0113 ( 7119 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0766 -6.0765 -6.0764 -6.0763 -5.6351 -5.6351 -5.6129 -5.6127 -5.6126 -5.6124 -0.0814 -0.0814 3.0313 3.0328 3.0339 3.0353 4.1367 4.1367 4.6878 4.6896 4.6912 4.6939 11.8611 11.8650 12.2366 12.2446 12.4696 12.4709 12.4805 12.4911 12.7392 12.7505 13.0298 13.0337 k = 0.0000 0.0000 0.0000 ( 7119 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0765 -6.0765 -6.0765 -6.0765 -5.6351 -5.6351 -5.6127 -5.6127 -5.6127 -5.6127 -0.0826 -0.0826 3.0332 3.0332 3.0332 3.0332 4.1365 4.1365 4.6908 4.6908 4.6908 4.6908 11.8862 11.8862 12.2613 12.2613 12.4946 12.4946 12.4946 12.4946 12.7321 12.7321 13.0162 13.0162 k = 0.0000 0.0000 0.0000 ( 7119 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0765 -6.0765 -6.0765 -6.0765 -5.6351 -5.6351 -5.6127 -5.6127 -5.6127 -5.6127 -0.0826 -0.0826 3.0332 3.0332 3.0332 3.0332 4.1365 4.1365 4.6908 4.6908 4.6908 4.6908 11.8862 11.8862 12.2613 12.2613 12.4946 12.4946 12.4946 12.4946 12.7321 12.7321 13.0162 13.0162 k = 0.0114 0.0066 0.0046 ( 7119 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0766 -6.0765 -6.0765 -6.0763 -5.6351 -5.6351 -5.6129 -5.6127 -5.6127 -5.6124 -0.0814 -0.0814 3.0312 3.0334 3.0334 3.0354 4.1367 4.1367 4.6877 4.6903 4.6903 4.6941 11.8628 11.8628 12.2406 12.2406 12.4741 12.4741 12.4773 12.4874 12.7445 12.7446 13.0281 13.0297 k = 0.0227 0.0131 0.0093 ( 7080 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0768 -6.0765 -6.0765 -6.0761 -5.6351 -5.6351 -5.6131 -5.6127 -5.6127 -5.6122 -0.0778 -0.0778 3.0294 3.0339 3.0339 3.0378 4.1372 4.1372 4.6850 4.6890 4.6890 4.6976 11.7909 11.7909 12.1887 12.1887 12.4346 12.4346 12.4393 12.4583 12.7768 12.7768 13.0617 13.0660 k = 0.0341 0.0197 0.0139 ( 7062 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0770 -6.0764 -6.0764 -6.0759 -5.6351 -5.6351 -5.6133 -5.6127 -5.6127 -5.6119 -0.0717 -0.0717 3.0278 3.0348 3.0348 3.0403 4.1382 4.1382 4.6826 4.6869 4.6869 4.7014 11.6722 11.6722 12.1260 12.1260 12.3871 12.3973 12.3973 12.4137 12.8216 12.8216 13.1101 13.1185 k = 0.0455 0.0262 0.0186 ( 7053 PWs) bands (ev): -37.3038 -37.3038 -36.8591 -36.8591 -6.0772 -6.0764 -6.0764 -6.0757 -5.6351 -5.6351 -5.6135 -5.6127 -5.6127 -5.6116 -0.0632 -0.0632 3.0264 3.0361 3.0361 3.0430 4.1395 4.1395 4.6805 4.6839 4.6839 4.7055 11.5174 11.5174 12.0633 12.0633 12.3264 12.3595 12.3652 12.3652 12.8737 12.8737 13.1671 13.1808 k = 0.0568 0.0328 0.0232 ( 7053 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0773 -6.0764 -6.0764 -6.0756 -5.6350 -5.6350 -5.6136 -5.6127 -5.6127 -5.6113 -0.0523 -0.0523 3.0252 3.0377 3.0377 3.0458 4.1412 4.1412 4.6787 4.6801 4.6801 4.7098 11.3393 11.3393 12.0013 12.0013 12.2610 12.2998 12.3372 12.3372 12.9295 12.9295 13.2286 13.2485 k = 0.0682 0.0394 0.0278 ( 7053 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0775 -6.0764 -6.0764 -6.0754 -5.6350 -5.6350 -5.6138 -5.6127 -5.6127 -5.6111 -0.0390 -0.0390 3.0243 3.0398 3.0398 3.0487 4.1434 4.1434 4.6754 4.6754 4.6773 4.7144 11.1473 11.1473 11.9389 11.9389 12.1931 12.2371 12.3118 12.3118 12.9865 12.9865 13.2916 13.3181 k = 0.0795 0.0459 0.0325 ( 7050 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0776 -6.0764 -6.0764 -6.0752 -5.6349 -5.6349 -5.6139 -5.6128 -5.6128 -5.6108 -0.0233 -0.0233 3.0235 3.0421 3.0421 3.0517 4.1459 4.1459 4.6701 4.6701 4.6763 4.7191 10.9470 10.9470 11.8755 11.8755 12.1240 12.1729 12.2881 12.2881 13.0430 13.0430 13.3538 13.3872 k = 0.0909 0.0525 0.0371 ( 7050 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0778 -6.0763 -6.0763 -6.0750 -5.6348 -5.6348 -5.6140 -5.6128 -5.6128 -5.6104 -0.0053 -0.0053 3.0229 3.0449 3.0449 3.0548 4.1489 4.1489 4.6640 4.6640 4.6757 4.7242 10.7417 10.7417 11.8111 11.8111 12.0547 12.1082 12.2654 12.2654 13.0974 13.0974 13.4132 13.4535 k = 0.1023 0.0590 0.0418 ( 7060 PWs) bands (ev): -37.3037 -37.3037 -36.8591 -36.8591 -6.0779 -6.0763 -6.0763 -6.0749 -5.6348 -5.6348 -5.6141 -5.6128 -5.6128 -5.6101 0.0150 0.0150 3.0224 3.0480 3.0480 3.0579 4.1523 4.1523 4.6572 4.6572 4.6756 4.7294 10.5336 10.5336 11.7459 11.7459 11.9857 12.0435 12.2433 12.2433 13.1484 13.1484 13.4680 13.5148 k = 0.1136 0.0656 0.0464 ( 7066 PWs) bands (ev): -37.3036 -37.3036 -36.8592 -36.8592 -6.0780 -6.0763 -6.0763 -6.0747 -5.6347 -5.6347 -5.6141 -5.6128 -5.6128 -5.6098 0.0375 0.0375 3.0222 3.0516 3.0516 3.0610 4.1562 4.1562 4.6498 4.6498 4.6760 4.7350 10.3239 10.3239 11.6803 11.6803 11.9174 11.9792 12.2216 12.2216 13.1948 13.1948 13.5163 13.5690 k = 0.1250 0.0722 0.0510 ( 7060 PWs) bands (ev): -37.3036 -37.3036 -36.8592 -36.8592 -6.0781 -6.0762 -6.0762 -6.0746 -5.6346 -5.6346 -5.6141 -5.6129 -5.6129 -5.6095 0.0622 0.0622 3.0221 3.0555 3.0555 3.0640 4.1605 4.1605 4.6418 4.6418 4.6769 4.7407 10.1137 10.1137 11.6143 11.6143 11.8499 11.9156 12.2002 12.2002 13.2355 13.2355 13.5567 13.6138 k = 0.1364 0.0787 0.0557 ( 7060 PWs) bands (ev): -37.3036 -37.3036 -36.8592 -36.8592 -6.0782 -6.0762 -6.0762 -6.0744 -5.6345 -5.6345 -5.6142 -5.6129 -5.6129 -5.6092 0.0891 0.0891 3.0222 3.0599 3.0599 3.0670 4.1652 4.1652 4.6333 4.6333 4.6783 4.7467 9.9037 9.9037 11.5483 11.5483 11.7835 11.8528 12.1792 12.1792 13.2697 13.2697 13.5875 13.6474 k = 0.1477 0.0853 0.0603 ( 7075 PWs) bands (ev): -37.3035 -37.3035 -36.8592 -36.8592 -6.0783 -6.0761 -6.0761 -6.0743 -5.6344 -5.6344 -5.6141 -5.6129 -5.6129 -5.6089 0.1181 0.1181 3.0223 3.0648 3.0648 3.0699 4.1704 4.1704 4.6243 4.6243 4.6803 4.7530 9.6944 9.6944 11.4824 11.4824 11.7184 11.7910 12.1587 12.1587 13.2967 13.2967 13.6079 13.6683 k = 0.1591 0.0919 0.0649 ( 7081 PWs) bands (ev): -37.3035 -37.3035 -36.8593 -36.8593 -6.0784 -6.0761 -6.0761 -6.0742 -5.6343 -5.6343 -5.6141 -5.6130 -5.6130 -5.6086 0.1491 0.1491 3.0226 3.0701 3.0701 3.0727 4.1760 4.1760 4.6150 4.6150 4.6828 4.7595 9.4862 9.4862 11.4168 11.4168 11.6545 11.7302 12.1386 12.1386 13.3162 13.3162 13.6174 13.6760 k = 0.1705 0.0984 0.0696 ( 7084 PWs) bands (ev): -37.3035 -37.3035 -36.8593 -36.8593 -6.0785 -6.0760 -6.0760 -6.0741 -5.6342 -5.6342 -5.6141 -5.6130 -5.6130 -5.6083 0.1820 0.1820 3.0230 3.0753 3.0760 3.0760 4.1821 4.1821 4.6053 4.6053 4.6860 4.7662 9.2794 9.2794 11.3514 11.3514 11.5920 11.6706 12.1191 12.1191 13.3282 13.3282 13.6161 13.6709 k = 0.1818 0.1050 0.0742 ( 7072 PWs) bands (ev): -37.3034 -37.3034 -36.8593 -36.8593 -6.0785 -6.0760 -6.0760 -6.0739 -5.6341 -5.6341 -5.6140 -5.6131 -5.6131 -5.6080 0.2168 0.2168 3.0235 3.0777 3.0825 3.0825 4.1885 4.1885 4.5954 4.5954 4.6898 4.7732 9.0745 9.0745 11.2866 11.2866 11.5309 11.6120 12.1002 12.1002 13.3330 13.3330 13.6048 13.6541 k = 0.1932 0.1115 0.0789 ( 7069 PWs) bands (ev): -37.3034 -37.3034 -36.8594 -36.8594 -6.0786 -6.0759 -6.0759 -6.0739 -5.6340 -5.6340 -5.6139 -5.6131 -5.6131 -5.6077 0.2534 0.2534 3.0241 3.0800 3.0897 3.0897 4.1953 4.1953 4.5854 4.5854 4.6942 4.7804 8.8717 8.8717 11.2223 11.2223 11.4712 11.5547 12.0820 12.0820 13.3313 13.3313 13.5845 13.6273 k = 0.2045 0.1181 0.0835 ( 7066 PWs) bands (ev): -37.3033 -37.3033 -36.8594 -36.8594 -6.0786 -6.0759 -6.0759 -6.0738 -5.6339 -5.6339 -5.6137 -5.6132 -5.6132 -5.6075 0.2916 0.2916 3.0247 3.0820 3.0975 3.0975 4.2025 4.2025 4.5753 4.5753 4.6993 4.7879 8.6711 8.6711 11.1586 11.1586 11.4131 11.4985 12.0646 12.0646 13.3238 13.3238 13.5565 13.5924 k = 0.2159 0.1247 0.0881 ( 7075 PWs) bands (ev): -37.3033 -37.3033 -36.8594 -36.8594 -6.0786 -6.0758 -6.0758 -6.0737 -5.6337 -5.6337 -5.6136 -5.6132 -5.6132 -5.6072 0.3313 0.3313 3.0254 3.0837 3.1061 3.1061 4.2099 4.2099 4.5651 4.5651 4.7050 4.7955 8.4731 8.4731 11.0957 11.0957 11.3565 11.4436 12.0479 12.0479 13.3114 13.3114 13.5224 13.5513 k = 0.2273 0.1312 0.0928 ( 7075 PWs) bands (ev): -37.3032 -37.3032 -36.8594 -36.8594 -6.0786 -6.0758 -6.0758 -6.0736 -5.6336 -5.6336 -5.6134 -5.6133 -5.6133 -5.6070 0.3724 0.3724 3.0261 3.0852 3.1156 3.1156 4.2174 4.2174 4.5551 4.5551 4.7113 4.8033 8.2778 8.2778 11.0337 11.0337 11.3014 11.3898 12.0321 12.0321 13.2950 13.2950 13.4835 13.5056 k = 0.2386 0.1378 0.0974 ( 7075 PWs) bands (ev): -37.3032 -37.3032 -36.8595 -36.8595 -6.0786 -6.0757 -6.0757 -6.0736 -5.6335 -5.6335 -5.6134 -5.6134 -5.6133 -5.6067 0.4147 0.4147 3.0269 3.0864 3.1261 3.1261 4.2251 4.2251 4.5454 4.5454 4.7182 4.8112 8.0854 8.0854 10.9726 10.9726 11.2480 11.3374 12.0171 12.0171 13.2755 13.2755 13.4410 13.4568 k = 0.2500 0.1443 0.1021 ( 7075 PWs) bands (ev): -37.3031 -37.3031 -36.8595 -36.8595 -6.0786 -6.0757 -6.0757 -6.0736 -5.6334 -5.6334 -5.6134 -5.6134 -5.6131 -5.6065 0.4581 0.4581 3.0277 3.0874 3.1377 3.1377 4.2328 4.2328 4.5359 4.5359 4.7257 4.8193 7.8961 7.8961 10.9127 10.9127 11.1962 11.2861 12.0029 12.0029 13.2536 13.2536 13.3960 13.4060 k = 0.2614 0.1509 0.1067 ( 7081 PWs) bands (ev): -37.3031 -37.3031 -36.8595 -36.8595 -6.0786 -6.0756 -6.0756 -6.0735 -5.6332 -5.6332 -5.6135 -5.6135 -5.6128 -5.6063 0.5024 0.5024 3.0285 3.0880 3.1504 3.1504 4.2404 4.2404 4.5268 4.5268 4.7338 4.8274 7.7100 7.7100 10.8539 10.8539 11.1461 11.2362 11.9896 11.9896 13.2300 13.2300 13.3494 13.3542 k = 0.2727 0.1575 0.1113 ( 7081 PWs) bands (ev): -37.3030 -37.3030 -36.8596 -36.8596 -6.0785 -6.0756 -6.0756 -6.0735 -5.6331 -5.6331 -5.6135 -5.6135 -5.6126 -5.6061 0.5474 0.5474 3.0293 3.0883 3.1644 3.1644 4.2478 4.2478 4.5183 4.5183 4.7424 4.8355 7.5275 7.5275 10.7965 10.7965 11.0978 11.1876 11.9771 11.9771 13.2053 13.2053 13.3021 13.3022 k = 0.2841 0.1640 0.1160 ( 7069 PWs) bands (ev): -37.3030 -37.3030 -36.8596 -36.8596 -6.0785 -6.0755 -6.0755 -6.0735 -5.6330 -5.6330 -5.6136 -5.6136 -5.6124 -5.6060 0.5929 0.5929 3.0302 3.0884 3.1799 3.1799 4.2549 4.2549 4.5105 4.5105 4.7515 4.8437 7.3485 7.3485 10.7405 10.7405 11.0513 11.1404 11.9654 11.9654 13.1802 13.1802 13.2508 13.2546 k = 0.2955 0.1706 0.1206 ( 7075 PWs) bands (ev): -37.3029 -37.3029 -36.8596 -36.8596 -6.0784 -6.0755 -6.0755 -6.0736 -5.6328 -5.6328 -5.6137 -5.6137 -5.6121 -5.6058 0.6386 0.6386 3.0311 3.0881 3.1970 3.1970 4.2614 4.2614 4.5034 4.5034 4.7609 4.8517 7.1735 7.1735 10.6861 10.6861 11.0066 11.0946 11.9546 11.9546 13.1549 13.1549 13.2004 13.2076 k = 0.3068 0.1771 0.1253 ( 7084 PWs) bands (ev): -37.3029 -37.3029 -36.8597 -36.8597 -6.0783 -6.0754 -6.0754 -6.0736 -5.6327 -5.6327 -5.6137 -5.6137 -5.6118 -5.6057 0.6844 0.6844 3.0320 3.0876 3.2158 3.2158 4.2673 4.2673 4.4971 4.4971 4.7708 4.8597 7.0025 7.0025 10.6335 10.6335 10.9639 11.0503 11.9446 11.9446 13.1298 13.1298 13.1515 13.1615 k = 0.3182 0.1837 0.1299 ( 7078 PWs) bands (ev): -37.3028 -37.3028 -36.8597 -36.8597 -6.0782 -6.0754 -6.0754 -6.0736 -5.6326 -5.6326 -5.6138 -5.6138 -5.6115 -5.6056 0.7298 0.7298 3.0329 3.0868 3.2364 3.2364 4.2725 4.2725 4.4918 4.4918 4.7809 4.8674 6.8359 6.8359 10.5828 10.5828 10.9232 11.0075 11.9353 11.9353 13.1044 13.1053 13.1053 13.1166 k = 0.3295 0.1903 0.1345 ( 7072 PWs) bands (ev): -37.3028 -37.3028 -36.8597 -36.8597 -6.0781 -6.0753 -6.0753 -6.0737 -5.6325 -5.6325 -5.6139 -5.6139 -5.6113 -5.6055 0.7747 0.7747 3.0339 3.0858 3.2590 3.2590 4.2768 4.2768 4.4874 4.4874 4.7912 4.8749 6.6738 6.6738 10.5342 10.5342 10.8846 10.9664 11.9268 11.9268 13.0594 13.0734 13.0817 13.0817 k = 0.3409 0.1968 0.1392 ( 7072 PWs) bands (ev): -37.3028 -37.3028 -36.8598 -36.8598 -6.0780 -6.0753 -6.0753 -6.0738 -5.6324 -5.6324 -5.6139 -5.6139 -5.6110 -5.6054 0.8187 0.8187 3.0349 3.0845 3.2837 3.2837 4.2802 4.2802 4.4840 4.4840 4.8017 4.8821 6.5167 6.5167 10.4878 10.4878 10.8481 10.9270 11.9190 11.9190 13.0168 13.0321 13.0590 13.0590 k = 0.3523 0.2034 0.1438 ( 7081 PWs) bands (ev): -37.3027 -37.3027 -36.8598 -36.8598 -6.0779 -6.0753 -6.0753 -6.0738 -5.6323 -5.6323 -5.6140 -5.6140 -5.6107 -5.6054 0.8615 0.8615 3.0359 3.0831 3.3105 3.3105 4.2826 4.2826 4.4814 4.4814 4.8122 4.8890 6.3648 6.3648 10.4437 10.4437 10.8140 10.8894 11.9119 11.9119 12.9767 12.9928 13.0374 13.0374 k = 0.3636 0.2099 0.1485 ( 7075 PWs) bands (ev): -37.3027 -37.3027 -36.8598 -36.8598 -6.0777 -6.0752 -6.0752 -6.0739 -5.6322 -5.6322 -5.6141 -5.6141 -5.6103 -5.6054 0.9028 0.9028 3.0370 3.0814 3.3394 3.3394 4.2842 4.2842 4.4795 4.4795 4.8228 4.8953 6.2186 6.2186 10.4022 10.4022 10.7821 10.8537 11.9055 11.9055 12.9394 12.9559 13.0172 13.0172 k = 0.3750 0.2165 0.1531 ( 7069 PWs) bands (ev): -37.3026 -37.3026 -36.8598 -36.8598 -6.0776 -6.0752 -6.0752 -6.0740 -5.6321 -5.6321 -5.6141 -5.6141 -5.6100 -5.6054 0.9423 0.9423 3.0381 3.0796 3.3705 3.3705 4.2850 4.2850 4.4781 4.4781 4.8331 4.9012 6.0786 6.0786 10.3633 10.3633 10.7528 10.8201 11.8997 11.8997 12.9049 12.9214 12.9983 12.9983 k = 0.3864 0.2231 0.1577 ( 7063 PWs) bands (ev): -37.3026 -37.3026 -36.8598 -36.8598 -6.0774 -6.0752 -6.0752 -6.0741 -5.6320 -5.6320 -5.6142 -5.6142 -5.6097 -5.6054 0.9797 0.9797 3.0393 3.0777 3.4037 3.4037 4.2852 4.2852 4.4768 4.4768 4.8433 4.9065 5.9453 5.9453 10.3273 10.3273 10.7259 10.7885 11.8945 11.8945 12.8733 12.8894 12.9809 12.9809 k = 0.3977 0.2296 0.1624 ( 7069 PWs) bands (ev): -37.3026 -37.3026 -36.8599 -36.8599 -6.0773 -6.0751 -6.0751 -6.0743 -5.6319 -5.6319 -5.6142 -5.6142 -5.6094 -5.6055 1.0146 1.0146 3.0406 3.0756 3.4385 3.4385 4.2848 4.2848 4.4755 4.4755 4.8532 4.9111 5.8195 5.8195 10.2942 10.2942 10.7017 10.7592 11.8899 11.8899 12.8447 12.8602 12.9650 12.9650 k = 0.4091 0.2362 0.1670 ( 7060 PWs) bands (ev): -37.3025 -37.3025 -36.8599 -36.8599 -6.0771 -6.0751 -6.0751 -6.0744 -5.6318 -5.6318 -5.6143 -5.6143 -5.6091 -5.6055 1.0467 1.0467 3.0419 3.0735 3.4748 3.4748 4.2841 4.2841 4.4737 4.4737 4.8627 4.9150 5.7019 5.7019 10.2642 10.2642 10.6801 10.7322 11.8858 11.8858 12.8192 12.8337 12.9508 12.9508 k = 0.4205 0.2427 0.1716 ( 7060 PWs) bands (ev): -37.3025 -37.3025 -36.8599 -36.8599 -6.0769 -6.0751 -6.0751 -6.0745 -5.6317 -5.6317 -5.6143 -5.6143 -5.6088 -5.6056 1.0758 1.0758 3.0434 3.0713 3.5118 3.5118 4.2832 4.2832 4.4712 4.4712 4.8718 4.9182 5.5937 5.5937 10.2374 10.2374 10.6614 10.7077 11.8823 11.8823 12.7968 12.8100 12.9381 12.9381 k = 0.4318 0.2493 0.1763 ( 7060 PWs) bands (ev): -37.3025 -37.3025 -36.8599 -36.8599 -6.0768 -6.0751 -6.0751 -6.0747 -5.6317 -5.6317 -5.6143 -5.6143 -5.6085 -5.6057 1.1016 1.1016 3.0449 3.0691 3.5489 3.5489 4.2823 4.2823 4.4678 4.4678 4.8803 4.9206 5.4959 5.4959 10.2139 10.2139 10.6455 10.6857 11.8793 11.8793 12.7774 12.7892 12.9271 12.9271 k = 0.4432 0.2559 0.1809 ( 7063 PWs) bands (ev): -37.3025 -37.3025 -36.8599 -36.8599 -6.0766 -6.0750 -6.0750 -6.0748 -5.6316 -5.6316 -5.6144 -5.6144 -5.6082 -5.6059 1.1238 1.1238 3.0465 3.0668 3.5847 3.5847 4.2815 4.2815 4.4633 4.4633 4.8882 4.9221 5.4099 5.4099 10.1939 10.1939 10.6324 10.6664 11.8767 11.8767 12.7613 12.7714 12.9177 12.9177 k = 0.4545 0.2624 0.1856 ( 7063 PWs) bands (ev): -37.3025 -37.3025 -36.8599 -36.8599 -6.0764 -6.0750 -6.0750 -6.0750 -5.6316 -5.6316 -5.6144 -5.6144 -5.6079 -5.6060 1.1422 1.1422 3.0482 3.0645 3.6180 3.6180 4.2808 4.2808 4.4578 4.4578 4.8954 4.9228 5.3370 5.3370 10.1774 10.1774 10.6224 10.6498 11.8747 11.8747 12.7482 12.7565 12.9101 12.9101 k = 0.4659 0.2690 0.1902 ( 7066 PWs) bands (ev): -37.3025 -37.3025 -36.8599 -36.8599 -6.0762 -6.0752 -6.0750 -6.0750 -5.6316 -5.6316 -5.6144 -5.6144 -5.6076 -5.6062 1.1567 1.1567 3.0500 3.0623 3.6469 3.6469 4.2805 4.2805 4.4520 4.4520 4.9018 4.9225 5.2786 5.2786 10.1645 10.1645 10.6153 10.6360 11.8731 11.8731 12.7383 12.7447 12.9041 12.9041 k = 0.4773 0.2756 0.1948 ( 7075 PWs) bands (ev): -37.3025 -37.3025 -36.8600 -36.8600 -6.0761 -6.0753 -6.0750 -6.0750 -5.6315 -5.6315 -5.6144 -5.6144 -5.6073 -5.6064 1.1672 1.1672 3.0518 3.0601 3.6695 3.6695 4.2803 4.2803 4.4466 4.4466 4.9075 4.9213 5.2360 5.2360 10.1552 10.1552 10.6112 10.6251 11.8720 11.8720 12.7316 12.7359 12.8998 12.8998 k = 0.4886 0.2821 0.1995 ( 7075 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0759 -6.0755 -6.0750 -6.0750 -5.6315 -5.6315 -5.6144 -5.6144 -5.6071 -5.6066 1.1735 1.1735 3.0538 3.0579 3.6840 3.6840 4.2803 4.2803 4.4427 4.4427 4.9123 4.9192 5.2100 5.2100 10.1497 10.1497 10.6102 10.6171 11.8714 11.8714 12.7280 12.7301 12.8973 12.8973 k = 0.5000 0.2887 0.2041 ( 7120 PWs) bands (ev): -37.3025 -37.3025 -36.8600 -36.8600 -6.0757 -6.0757 -6.0750 -6.0750 -5.6315 -5.6315 -5.6144 -5.6144 -5.6068 -5.6068 1.1756 1.1756 3.0558 3.0558 3.6890 3.6890 4.2803 4.2803 4.4413 4.4413 4.9162 4.9162 5.2013 5.2013 10.1478 10.1478 10.6122 10.6122 11.8711 11.8711 12.7275 12.7275 12.8964 12.8964 k = 0.5000 0.2887 0.2041 ( 7120 PWs) bands (ev): -37.3025 -37.3025 -36.8600 -36.8600 -6.0757 -6.0757 -6.0750 -6.0750 -5.6315 -5.6315 -5.6144 -5.6144 -5.6068 -5.6068 1.1756 1.1756 3.0558 3.0558 3.6890 3.6890 4.2803 4.2803 4.4413 4.4413 4.9162 4.9162 5.2013 5.2013 10.1478 10.1478 10.6122 10.6122 11.8711 11.8711 12.7275 12.7275 12.8964 12.8964 k = 0.5039 0.2774 0.2105 ( 7075 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0757 -6.0757 -6.0750 -6.0749 -5.6315 -5.6315 -5.6145 -5.6144 -5.6068 -5.6068 1.1759 1.1775 3.0560 3.0560 3.6821 3.6949 4.2801 4.2806 4.4375 4.4453 4.9170 4.9170 5.1928 5.2103 10.1233 10.1474 10.5973 10.5980 11.8766 11.8958 12.7324 12.7324 12.9009 12.9106 k = 0.5078 0.2661 0.2169 ( 7075 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0758 -6.0758 -6.0749 -6.0748 -5.6315 -5.6315 -5.6145 -5.6143 -5.6068 -5.6068 1.1783 1.1814 3.0566 3.0567 3.6742 3.6997 4.2802 4.2811 4.4338 4.4496 4.9191 4.9196 5.1846 5.2201 10.0739 10.1228 10.5546 10.5598 11.9103 11.9452 12.7474 12.7475 12.9242 12.9428 k = 0.5117 0.2548 0.2233 ( 7073 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0760 -6.0760 -6.0748 -6.0746 -5.6316 -5.6314 -5.6146 -5.6143 -5.6068 -5.6068 1.1827 1.1874 3.0576 3.0579 3.6654 3.7036 4.2804 4.2819 4.4304 4.4541 4.9224 4.9239 5.1768 5.2306 10.0004 10.0747 10.4907 10.5049 11.9646 12.0093 12.7741 12.7748 12.9657 12.9921 k = 0.5156 0.2436 0.2296 ( 7071 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0761 -6.0761 -6.0747 -6.0744 -5.6316 -5.6314 -5.6146 -5.6142 -5.6068 -5.6068 1.1891 1.1955 3.0589 3.0596 3.6556 3.7064 4.2807 4.2828 4.4271 4.4589 4.9267 4.9302 5.1691 5.2423 9.9055 10.0041 10.4138 10.4399 12.0289 12.0777 12.8147 12.8170 13.0244 13.0576 k = 0.5195 0.2323 0.2360 ( 7066 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0763 -6.0762 -6.0745 -6.0742 -5.6316 -5.6314 -5.6147 -5.6141 -5.6068 -5.6068 1.1976 1.2056 3.0605 3.0618 3.6450 3.7084 4.2808 4.2839 4.4243 4.4639 4.9316 4.9383 5.1616 5.2551 9.7926 9.9129 10.3306 10.3688 12.0937 12.1411 12.8712 12.8766 13.0992 13.1378 k = 0.5234 0.2210 0.2424 ( 7067 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0764 -6.0764 -6.0744 -6.0740 -5.6316 -5.6314 -5.6147 -5.6140 -5.6068 -5.6067 1.2081 1.2178 3.0623 3.0646 3.6336 3.7096 4.2807 4.2852 4.4219 4.4692 4.9369 4.9484 5.1543 5.2694 9.6661 9.8044 10.2451 10.2935 12.1517 12.1940 12.9452 12.9545 13.1886 13.2315 k = 0.5273 0.2097 0.2488 ( 7067 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0766 -6.0765 -6.0743 -6.0738 -5.6315 -5.6313 -5.6147 -5.6140 -5.6068 -5.6067 1.2204 1.2319 3.0643 3.0680 3.6215 3.7101 4.2801 4.2867 4.4203 4.4747 4.9423 4.9603 5.1472 5.2854 9.5295 9.6822 10.1587 10.2151 12.1994 12.2344 13.0361 13.0492 13.2913 13.3373 k = 0.5312 0.1985 0.2552 ( 7065 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0767 -6.0766 -6.0741 -6.0736 -5.6315 -5.6313 -5.6148 -5.6138 -5.6068 -5.6066 1.2346 1.2479 3.0664 3.0721 3.6089 3.7100 4.2785 4.2885 4.4197 4.4804 4.9475 4.9737 5.1405 5.3032 9.3860 9.5501 10.0718 10.1340 12.2359 12.2632 13.1419 13.1575 13.4060 13.4539 k = 0.5352 0.1872 0.2615 ( 7065 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0769 -6.0768 -6.0740 -6.0734 -5.6315 -5.6313 -5.6148 -5.6137 -5.6068 -5.6065 1.2507 1.2657 3.0687 3.0768 3.5958 3.7095 4.2758 4.2907 4.4204 4.4861 4.9523 4.9883 5.1345 5.3229 9.2379 9.4114 9.9843 10.0507 12.2627 12.2827 13.2593 13.2758 13.5308 13.5797 k = 0.5391 0.1759 0.2679 ( 7067 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0770 -6.0769 -6.0739 -6.0732 -5.6315 -5.6313 -5.6148 -5.6136 -5.6068 -5.6064 1.2684 1.2853 3.0709 3.0821 3.5822 3.7086 4.2717 4.2933 4.4228 4.4919 4.9565 5.0033 5.1299 5.3447 9.0872 9.2684 9.8964 9.9658 12.2816 12.2952 13.3855 13.4013 13.6638 13.7130 k = 0.5430 0.1646 0.2743 ( 7063 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0771 -6.0770 -6.0738 -6.0730 -5.6315 -5.6313 -5.6149 -5.6135 -5.6068 -5.6063 1.2877 1.3066 3.0732 3.0883 3.5683 3.7077 4.2659 4.2963 4.4269 4.4976 4.9600 5.0174 5.1278 5.3684 8.9351 9.1232 9.8079 9.8796 12.2945 12.3026 13.5181 13.5319 13.8029 13.8520 k = 0.5469 0.1534 0.2807 ( 7061 PWs) bands (ev): -37.3023 -37.3023 -36.8600 -36.8600 -6.0772 -6.0771 -6.0736 -6.0728 -5.6314 -5.6312 -5.6149 -5.6133 -5.6068 -5.6062 1.3085 1.3295 3.0753 3.0952 3.5542 3.7067 4.2584 4.2999 4.4328 4.5034 4.9626 5.0285 5.1302 5.3942 8.7829 8.9771 9.7193 9.7927 12.3028 12.3064 13.6554 13.6665 13.9460 13.9947 k = 0.5508 0.1421 0.2870 ( 7055 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0773 -6.0772 -6.0735 -6.0726 -5.6314 -5.6312 -5.6150 -5.6132 -5.6068 -5.6061 1.3308 1.3539 3.0773 3.1028 3.5398 3.7059 4.2492 4.3040 4.4407 4.5092 4.9644 5.0345 5.1390 5.4219 8.6314 8.8311 9.6306 9.7054 12.3074 12.3077 13.7964 13.8044 14.0909 14.1392 k = 0.5547 0.1308 0.2934 ( 7057 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0774 -6.0773 -6.0734 -6.0724 -5.6313 -5.6312 -5.6150 -5.6130 -5.6069 -5.6060 1.3543 1.3796 3.0790 3.1114 3.5253 3.7054 4.2385 4.3088 4.4503 4.5149 4.9652 5.0346 5.1547 5.4514 8.4814 8.6862 9.5422 9.6180 12.3066 12.3101 13.9403 13.9449 14.2353 14.2832 k = 0.5586 0.1195 0.2998 ( 7051 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0775 -6.0774 -6.0734 -6.0722 -5.6313 -5.6312 -5.6151 -5.6128 -5.6069 -5.6058 1.3789 1.4064 3.0805 3.1208 3.5107 3.7054 4.2263 4.3142 4.4615 4.5207 4.9652 5.0301 5.1758 5.4825 8.3337 8.5432 9.4544 9.5311 12.3045 12.3106 14.0865 14.0876 14.3769 14.4240 k = 0.5625 0.1083 0.3062 ( 7049 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0775 -6.0775 -6.0733 -6.0720 -5.6312 -5.6312 -5.6151 -5.6127 -5.6069 -5.6057 1.4046 1.4344 3.0816 3.1311 3.4960 3.7061 4.2129 4.3202 4.4743 4.5267 4.9644 5.0225 5.2006 5.5148 8.1888 8.4026 9.3673 9.4447 12.3014 12.3097 14.2319 14.2345 14.5133 14.5588 k = 0.5664 0.0970 0.3126 ( 7051 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0776 -6.0776 -6.0732 -6.0718 -5.6312 -5.6312 -5.6152 -5.6125 -5.6070 -5.6055 1.4310 1.4631 3.0822 3.1424 3.4813 3.7075 4.1983 4.3268 4.4886 4.5329 4.9627 5.0129 5.2277 5.5482 8.0475 8.2652 9.2813 9.3593 12.2977 12.3078 14.3766 14.3837 14.6416 14.6837 k = 0.5703 0.0857 0.3189 ( 7051 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0776 -6.0776 -6.0732 -6.0717 -5.6312 -5.6311 -5.6152 -5.6123 -5.6070 -5.6054 1.4580 1.4926 3.0824 3.1546 3.4666 3.7098 4.1827 4.3341 4.5042 4.5394 4.9604 5.0018 5.2560 5.5824 7.9103 8.1314 9.1965 9.2751 12.2936 12.3051 14.5195 14.5324 14.7588 14.7942 k = 0.5742 0.0744 0.3253 ( 7048 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0777 -6.0777 -6.0731 -6.0715 -5.6312 -5.6311 -5.6153 -5.6121 -5.6071 -5.6052 1.4855 1.5225 3.0820 3.1679 3.4519 3.7131 4.1663 4.3418 4.5211 4.5465 4.9575 4.9896 5.2850 5.6168 7.7778 8.0020 9.1133 9.1922 12.2893 12.3020 14.6550 14.6771 14.8643 14.8871 k = 0.5781 0.0631 0.3317 ( 7045 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0777 -6.0777 -6.0731 -6.0713 -5.6312 -5.6310 -5.6153 -5.6119 -5.6072 -5.6051 1.5132 1.5526 3.0810 3.1821 3.4373 3.7175 4.1493 4.3499 4.5393 4.5542 4.9539 4.9765 5.3138 5.6512 7.6510 7.8775 9.0317 9.1109 12.2849 12.2985 14.7689 14.8039 14.9660 14.9688 k = 0.5820 0.0519 0.3381 ( 7053 PWs) bands (ev): -37.3022 -37.3022 -36.8602 -36.8601 -6.0778 -6.0777 -6.0731 -6.0712 -5.6312 -5.6310 -5.6154 -5.6117 -5.6072 -5.6049 1.5409 1.5826 3.0795 3.1973 3.4228 3.7230 4.1318 4.3582 4.5586 4.5629 4.9499 4.9627 5.3419 5.6848 7.5304 7.7587 8.9521 9.0315 12.2806 12.2949 14.8379 14.8759 15.0722 15.0822 k = 0.5859 0.0406 0.3445 ( 7049 PWs) bands (ev): -37.3022 -37.3022 -36.8602 -36.8601 -6.0778 -6.0777 -6.0730 -6.0711 -5.6312 -5.6309 -5.6154 -5.6114 -5.6073 -5.6048 1.5683 1.6124 3.0772 3.2133 3.4086 3.7297 4.1140 4.3665 4.5727 4.5790 4.9456 4.9483 5.3686 5.7172 7.4169 7.6464 8.8745 8.9540 12.2764 12.2912 14.8566 14.8828 15.2093 15.2185 k = 0.5898 0.0293 0.3508 ( 7045 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0778 -6.0777 -6.0730 -6.0710 -5.6313 -5.6308 -5.6155 -5.6112 -5.6074 -5.6046 1.5952 1.6416 3.0744 3.2299 3.3947 3.7375 4.0962 4.3746 4.5839 4.6004 4.9333 4.9409 5.3931 5.7475 7.3116 7.5416 8.7992 8.8788 12.2725 12.2876 14.8377 14.8505 15.3598 15.3657 k = 0.5938 0.0180 0.3572 ( 7041 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0778 -6.0777 -6.0730 -6.0709 -5.6313 -5.6308 -5.6155 -5.6110 -5.6075 -5.6045 1.6214 1.6700 3.0710 3.2467 3.3814 3.7464 4.0785 4.3821 4.5967 4.6228 4.9180 4.9360 5.4147 5.7749 7.2155 7.4452 8.7263 8.8059 12.2690 12.2842 14.7934 14.7949 15.5144 15.5175 k = 0.5977 0.0068 0.3636 ( 7041 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0778 -6.0777 -6.0731 -6.0708 -5.6313 -5.6307 -5.6156 -5.6108 -5.6075 -5.6044 1.6465 1.6972 3.0669 3.2629 3.3694 3.7561 4.0614 4.3888 4.6117 4.6462 4.9024 4.9310 5.4325 5.7983 7.1295 7.3584 8.6561 8.7355 12.2658 12.2810 14.7249 14.7323 15.6697 15.6705 k = 0.6016-0.0045 0.3700 ( 7041 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0778 -6.0777 -6.0731 -6.0707 -5.6313 -5.6307 -5.6156 -5.6106 -5.6076 -5.6042 1.6703 1.7229 3.0624 3.2768 3.3601 3.7666 4.0451 4.3942 4.6289 4.6703 4.8867 4.9260 5.4459 5.8167 7.0549 7.2824 8.5887 8.6679 12.2630 12.2781 14.6457 14.6602 15.8223 15.8235 k = 0.6055-0.0158 0.3764 ( 7054 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0778 -6.0776 -6.0731 -6.0706 -5.6313 -5.6307 -5.6156 -5.6104 -5.6077 -5.6041 1.6925 1.7468 3.0574 3.2851 3.3566 3.7775 4.0301 4.3979 4.6487 4.6952 4.8712 4.9212 5.4543 5.8290 6.9925 7.2186 8.5243 8.6032 12.2607 12.2756 14.5609 14.5809 15.9707 15.9739 k = 0.6094-0.0271 0.3827 ( 7055 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0778 -6.0776 -6.0732 -6.0706 -5.6313 -5.6306 -5.6156 -5.6102 -5.6077 -5.6040 1.7129 1.7686 3.0520 3.2846 3.3615 3.7886 4.0168 4.3996 4.6712 4.7206 4.8562 4.9169 5.4573 5.8343 6.9430 7.1679 8.4631 8.5416 12.2589 12.2735 14.4727 14.4971 16.1133 16.1183 k = 0.6133-0.0383 0.3891 ( 7051 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0778 -6.0776 -6.0732 -6.0705 -5.6313 -5.6306 -5.6157 -5.6101 -5.6077 -5.6039 1.7311 1.7880 3.0463 3.2767 3.3729 3.7995 4.0059 4.3990 4.6964 4.7461 4.8421 4.9133 5.4549 5.8320 6.9069 7.1312 8.4053 8.4833 12.2577 12.2719 14.3826 14.4106 16.2467 16.2535 k = 0.6172-0.0496 0.3955 ( 7045 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0778 -6.0775 -6.0733 -6.0705 -5.6314 -5.6306 -5.6157 -5.6100 -5.6077 -5.6038 1.7469 1.8048 3.0403 3.2647 3.3870 3.8097 3.9979 4.3956 4.7238 4.7711 4.8299 4.9113 5.4477 5.8222 6.8842 7.1088 8.3511 8.4285 12.2571 12.2708 14.2918 14.3227 16.3670 16.3755 k = 0.6211-0.0609 0.4019 ( 7041 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0777 -6.0775 -6.0733 -6.0705 -5.6314 -5.6306 -5.6157 -5.6100 -5.6076 -5.6038 1.7600 1.8185 3.0343 3.2507 3.4011 3.8187 3.9934 4.3896 4.7515 4.7943 4.8214 4.9119 5.4368 5.8053 6.8742 7.1002 8.3006 8.3773 12.2571 12.2702 14.2009 14.2343 16.4699 16.4795 k = 0.6250-0.0722 0.4082 ( 7030 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0777 -6.0774 -6.0734 -6.0705 -5.6314 -5.6306 -5.6157 -5.6100 -5.6076 -5.6037 1.7701 1.8291 3.0283 3.2357 3.4135 3.8261 3.9929 4.3807 4.7719 4.8137 4.8242 4.9172 5.4237 5.7828 6.8760 7.1046 8.2540 8.3300 12.2577 12.2702 14.1104 14.1460 16.5517 16.5619 k = 0.6250-0.0722 0.4082 ( 7030 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0777 -6.0774 -6.0734 -6.0705 -5.6314 -5.6306 -5.6157 -5.6100 -5.6076 -5.6037 1.7701 1.8291 3.0283 3.2357 3.4135 3.8261 3.9929 4.3807 4.7719 4.8137 4.8242 4.9172 5.4237 5.7828 6.8760 7.1046 8.2540 8.3300 12.2577 12.2702 14.1104 14.1460 16.5517 16.5619 k = 0.6181-0.0682 0.4196 ( 7034 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0777 -6.0774 -6.0734 -6.0705 -5.6314 -5.6305 -5.6157 -5.6100 -5.6076 -5.6037 1.7704 1.8296 3.0291 3.2360 3.4130 3.8256 3.9932 4.3806 4.7696 4.8042 4.8342 4.9180 5.4253 5.7831 6.8756 7.1049 8.2481 8.3270 12.2646 12.2797 14.1099 14.1452 16.5152 16.5542 k = 0.6111-0.0642 0.4309 ( 7039 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0778 -6.0773 -6.0734 -6.0704 -5.6314 -5.6305 -5.6157 -5.6099 -5.6076 -5.6038 1.7713 1.8314 3.0315 3.2368 3.4115 3.8239 3.9940 4.3804 4.7617 4.7947 4.8458 4.9211 5.4301 5.7838 6.8741 7.1057 8.2310 8.3180 12.2862 12.3069 14.1084 14.1429 16.4438 16.5072 k = 0.6042-0.0601 0.4423 ( 7037 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0779 -6.0772 -6.0735 -6.0704 -5.6315 -5.6305 -5.6157 -5.6098 -5.6076 -5.6038 1.7728 1.8342 3.0355 3.2381 3.4090 3.8212 3.9956 4.3799 4.7483 4.7898 4.8532 4.9278 5.4379 5.7849 6.8717 7.1069 8.2041 8.3025 12.3233 12.3501 14.1058 14.1390 16.3549 16.4318 k = 0.5972-0.0561 0.4536 ( 7041 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0779 -6.0771 -6.0736 -6.0703 -5.6315 -5.6304 -5.6158 -5.6098 -5.6075 -5.6039 1.7748 1.8381 3.0411 3.2399 3.4055 3.8174 3.9977 4.3792 4.7322 4.7874 4.8553 4.9387 5.4484 5.7864 6.8681 7.1087 8.1694 8.2804 12.3754 12.4078 14.1020 14.1335 16.2574 16.3413 k = 0.5903-0.0521 0.4649 ( 7049 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0780 -6.0770 -6.0737 -6.0702 -5.6315 -5.6304 -5.6158 -5.6096 -5.6075 -5.6039 1.7774 1.8429 3.0482 3.2421 3.4009 3.8127 4.0006 4.3780 4.7153 4.7859 4.8529 4.9527 5.4612 5.7881 6.8635 7.1108 8.1288 8.2521 12.4416 12.4786 14.0968 14.1265 16.1561 16.2438 k = 0.5833-0.0481 0.4763 ( 7050 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0781 -6.0769 -6.0738 -6.0701 -5.6316 -5.6303 -5.6158 -5.6095 -5.6075 -5.6040 1.7804 1.8485 3.0570 3.2448 3.3954 3.8070 4.0043 4.3763 4.6987 4.7848 4.8475 4.9683 5.4761 5.7900 6.8576 7.1133 8.0840 8.2185 12.5207 12.5609 14.0901 14.1181 16.0539 16.1439 k = 0.5764-0.0441 0.4876 ( 7043 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0782 -6.0768 -6.0739 -6.0700 -5.6316 -5.6303 -5.6159 -5.6094 -5.6075 -5.6041 1.7840 1.8547 3.0674 3.2477 3.3889 3.8006 4.0087 4.3740 4.6828 4.7838 4.8404 4.9845 5.4927 5.7917 6.8505 7.1160 8.0367 8.1807 12.6112 12.6531 14.0814 14.1084 15.9526 16.0442 k = 0.5694-0.0401 0.4990 ( 7047 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0782 -6.0767 -6.0741 -6.0699 -5.6317 -5.6302 -5.6160 -5.6092 -5.6075 -5.6042 1.7879 1.8615 3.0793 3.2508 3.3814 3.7934 4.0139 4.3711 4.6678 4.7827 4.8324 5.0005 5.5106 5.7933 6.8420 7.1189 7.9888 8.1400 12.7112 12.7536 14.0706 14.0975 15.8537 15.9465 k = 0.5625-0.0361 0.5103 ( 7056 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0783 -6.0766 -6.0742 -6.0697 -5.6317 -5.6302 -5.6160 -5.6091 -5.6075 -5.6043 1.7921 1.8685 3.0927 3.2541 3.3729 3.7858 4.0197 4.3676 4.6538 4.7815 4.8241 5.0158 5.5294 5.7943 6.8321 7.1217 7.9418 8.0977 12.8188 12.8604 14.0571 14.0859 15.7585 15.8522 k = 0.5556-0.0321 0.5217 ( 7049 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0784 -6.0765 -6.0743 -6.0696 -5.6317 -5.6301 -5.6161 -5.6089 -5.6075 -5.6044 1.7965 1.8757 3.1076 3.2574 3.3635 3.7778 4.0261 4.3636 4.6411 4.7800 4.8160 5.0300 5.5488 5.7946 6.8209 7.1243 7.8972 8.0553 12.9317 12.9716 14.0411 14.0734 15.6680 15.7624 k = 0.5486-0.0281 0.5330 ( 7055 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0784 -6.0764 -6.0744 -6.0696 -5.6318 -5.6301 -5.6161 -5.6088 -5.6075 -5.6045 1.8009 1.8828 3.1238 3.2605 3.3533 3.7696 4.0330 4.3592 4.6296 4.7783 4.8085 5.0431 5.5686 5.7939 6.8087 7.1265 7.8562 8.0140 13.0470 13.0851 14.0227 14.0603 15.5835 15.6783 k = 0.5417-0.0241 0.5443 ( 7042 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0785 -6.0763 -6.0745 -6.0695 -5.6318 -5.6300 -5.6162 -5.6086 -5.6075 -5.6046 1.8053 1.8897 3.1412 3.2634 3.3422 3.7615 4.0401 4.3547 4.6193 4.7762 4.8018 5.0546 5.5882 5.7920 6.7956 7.1282 7.8201 7.9753 13.1614 13.1982 14.0025 14.0466 15.5061 15.6012 k = 0.5347-0.0200 0.5557 ( 7050 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0785 -6.0762 -6.0746 -6.0694 -5.6318 -5.6300 -5.6162 -5.6085 -5.6075 -5.6047 1.8095 1.8960 3.1595 3.2660 3.3304 3.7538 4.0471 4.3503 4.6104 4.7738 4.7960 5.0645 5.6075 5.7887 6.7823 7.1292 7.7894 7.9402 13.2706 13.3081 13.9817 14.0325 15.4374 15.5324 k = 0.5278-0.0160 0.5670 ( 7059 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0762 -6.0747 -6.0693 -5.6318 -5.6300 -5.6162 -5.6083 -5.6075 -5.6048 1.8133 1.9017 3.1785 3.2680 3.3179 3.7466 4.0538 4.3463 4.6027 4.7716 4.7911 5.0727 5.6258 5.7840 6.7695 7.1294 7.7647 7.9100 13.3698 13.4102 13.9621 14.0188 15.3790 15.4734 k = 0.5208-0.0120 0.5784 ( 7065 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0761 -6.0748 -6.0693 -5.6319 -5.6299 -5.6163 -5.6082 -5.6075 -5.6048 1.8166 1.9065 3.1975 3.2693 3.3052 3.7403 4.0596 4.3430 4.5965 4.7700 4.7867 5.0790 5.6426 5.7780 6.7580 7.1290 7.7460 7.8855 13.4538 13.4980 13.9464 14.0066 15.3327 15.4260 k = 0.5139-0.0080 0.5897 ( 7075 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0760 -6.0748 -6.0692 -5.6319 -5.6299 -5.6163 -5.6081 -5.6076 -5.6049 1.8192 1.9102 3.2157 3.2698 3.2926 3.7353 4.0642 4.3407 4.5918 4.7694 4.7826 5.0835 5.6568 5.7715 6.7487 7.1281 7.7332 7.8676 13.5176 13.5632 13.9382 13.9973 15.3002 15.3913 k = 0.5069-0.0040 0.6010 ( 7071 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0760 -6.0749 -6.0692 -5.6319 -5.6299 -5.6163 -5.6079 -5.6077 -5.6049 1.8208 1.9126 3.2311 3.2694 3.2817 3.7320 4.0672 4.3394 4.5888 4.7705 4.7786 5.0861 5.6668 5.7660 6.7426 7.1271 7.7259 7.8567 13.5569 13.6001 13.9384 13.9922 15.2822 15.3705 k = 0.5000 0.0000 0.6124 ( 7060 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0760 -6.0749 -6.0692 -5.6319 -5.6299 -5.6163 -5.6078 -5.6078 -5.6049 1.8214 1.9134 3.2381 3.2693 3.2764 3.7308 4.0682 4.3390 4.5877 4.7727 4.7753 5.0869 5.6706 5.7637 6.7404 7.1267 7.7235 7.8531 13.5698 13.6106 13.9406 13.9912 15.2771 15.3637 k = 0.5000 0.0000 0.6124 ( 7060 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0760 -6.0749 -6.0692 -5.6319 -5.6299 -5.6163 -5.6078 -5.6078 -5.6049 1.8214 1.9134 3.2381 3.2693 3.2764 3.7308 4.0682 4.3390 4.5877 4.7727 4.7753 5.0869 5.6706 5.7637 6.7404 7.1267 7.7235 7.8531 13.5698 13.6106 13.9406 13.9912 15.2771 15.3637 k = 0.5000 0.0080 0.6010 ( 7064 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0760 -6.0749 -6.0692 -5.6319 -5.6299 -5.6163 -5.6080 -5.6076 -5.6049 1.8200 1.9117 3.2358 3.2684 3.2788 3.7318 4.0662 4.3400 4.5880 4.7676 4.7806 5.0850 5.6656 5.7704 6.7419 7.1258 7.7289 7.8610 13.5575 13.6023 13.9454 14.0042 15.2709 15.3617 k = 0.5000 0.0160 0.5897 ( 7072 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0761 -6.0748 -6.0692 -5.6319 -5.6299 -5.6163 -5.6082 -5.6075 -5.6049 1.8157 1.9065 3.2299 3.2658 3.2847 3.7349 4.0604 4.3428 4.5887 4.7624 4.7865 5.0792 5.6540 5.7867 6.7470 7.1240 7.7449 7.8841 13.5258 13.5774 13.9612 14.0361 15.2546 15.3553 k = 0.5000 0.0241 0.5784 ( 7058 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0762 -6.0747 -6.0693 -5.6319 -5.6299 -5.6163 -5.6084 -5.6073 -5.6050 1.8087 1.8980 3.2221 3.2619 3.2924 3.7394 4.0520 4.3468 4.5890 4.7589 4.7913 5.0702 5.6405 5.8065 6.7565 7.1227 7.7713 7.9208 13.4825 13.5388 13.9861 14.0771 15.2329 15.3441 k = 0.5000 0.0321 0.5670 ( 7058 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0763 -6.0746 -6.0693 -5.6318 -5.6300 -5.6162 -5.6086 -5.6072 -5.6050 1.7989 1.8862 3.2135 3.2567 3.3010 3.7447 4.0424 4.3514 4.5882 4.7579 4.7946 5.0588 5.6269 5.8258 6.7717 7.1246 7.8076 7.9690 13.4327 13.4914 14.0143 14.1208 15.2107 15.3297 k = 0.5000 0.0401 0.5557 ( 7046 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0764 -6.0745 -6.0694 -5.6318 -5.6300 -5.6162 -5.6088 -5.6071 -5.6050 1.7865 1.8713 3.2045 3.2505 3.3101 3.7500 4.0334 4.3559 4.5855 4.7599 4.7959 5.0462 5.6136 5.8420 6.7939 7.1320 7.8531 8.0269 13.3794 13.4388 14.0409 14.1631 15.1920 15.3149 k = 0.5000 0.0481 0.5443 ( 7038 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0786 -6.0765 -6.0743 -6.0695 -5.6318 -5.6300 -5.6162 -5.6091 -5.6070 -5.6050 1.7715 1.8534 3.1954 3.2434 3.3197 3.7543 4.0264 4.3600 4.5805 4.7642 4.7955 5.0336 5.6000 5.8532 6.8243 7.1475 7.9068 8.0927 13.3243 13.3835 14.0618 14.2009 15.1805 15.3033 k = 0.5000 0.0561 0.5330 ( 7040 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0785 -6.0767 -6.0742 -6.0696 -5.6318 -5.6301 -5.6161 -5.6093 -5.6069 -5.6050 1.7543 1.8329 3.1863 3.2357 3.3297 3.7568 4.0226 4.3636 4.5730 4.7681 4.7952 5.0221 5.5852 5.8582 6.8639 7.1731 7.9678 8.1651 13.2684 13.3269 14.0741 14.2313 15.1787 15.2980 k = 0.5000 0.0642 0.5217 ( 7044 PWs) bands (ev): -37.3021 -37.3020 -36.8602 -36.8602 -6.0785 -6.0768 -6.0741 -6.0697 -5.6317 -5.6301 -5.6161 -5.6096 -5.6068 -5.6051 1.7349 1.8100 3.1774 3.2275 3.3400 3.7570 4.0228 4.3664 4.5635 4.7662 4.7999 5.0126 5.5685 5.8566 6.9131 7.2101 8.0352 8.2430 13.2123 13.2697 14.0762 14.2522 15.1885 15.3018 k = 0.5000 0.0722 0.5103 ( 7040 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0785 -6.0769 -6.0740 -6.0698 -5.6317 -5.6302 -5.6160 -5.6098 -5.6068 -5.6051 1.7135 1.7849 3.1687 3.2188 3.3507 3.7549 4.0273 4.3686 4.5524 4.7569 4.8104 5.0055 5.5494 5.8483 6.9719 7.2592 8.1082 8.3255 13.1565 13.2126 14.0671 14.2619 15.2105 15.3166 k = 0.5000 0.0802 0.4990 ( 7042 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0784 -6.0770 -6.0739 -6.0699 -5.6317 -5.6303 -5.6160 -5.6101 -5.6067 -5.6052 1.6904 1.7579 3.1604 3.2099 3.3618 3.7507 4.0357 4.3701 4.5401 4.7431 4.8237 5.0010 5.5275 5.8338 7.0403 7.3204 8.1860 8.4119 13.1014 13.1559 14.0472 14.2599 15.2443 15.3430 k = 0.5000 0.0882 0.4876 ( 7038 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0784 -6.0771 -6.0738 -6.0700 -5.6316 -5.6304 -5.6159 -5.6103 -5.6067 -5.6052 1.6657 1.7293 3.1525 3.2007 3.3732 3.7451 4.0472 4.3710 4.5271 4.7265 4.8382 4.9987 5.5029 5.8138 7.1178 7.3933 8.2681 8.5017 13.0471 13.1000 14.0174 14.2464 15.2883 15.3804 k = 0.5000 0.0962 0.4763 ( 7034 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0783 -6.0772 -6.0737 -6.0702 -5.6316 -5.6304 -5.6158 -5.6106 -5.6066 -5.6053 1.6398 1.6995 3.1450 3.1914 3.3850 3.7387 4.0612 4.3713 4.5137 4.7084 4.8530 4.9985 5.4759 5.7893 7.2042 7.4768 8.3540 8.5944 12.9938 13.0449 13.9792 14.2225 15.3405 15.4271 k = 0.5000 0.1042 0.4649 ( 7048 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0783 -6.0772 -6.0736 -6.0704 -5.6316 -5.6305 -5.6157 -5.6109 -5.6066 -5.6054 1.6128 1.6686 3.1379 3.1821 3.3972 3.7323 4.0769 4.3710 4.5002 4.6895 4.8675 4.9999 5.4467 5.7612 7.2988 7.5701 8.4433 8.6895 12.9417 12.9908 13.9340 14.1898 15.3976 15.4800 k = 0.5000 0.1123 0.4536 ( 7040 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0782 -6.0773 -6.0736 -6.0705 -5.6315 -5.6306 -5.6157 -5.6111 -5.6066 -5.6055 1.5851 1.6371 3.1313 3.1727 3.4098 3.7261 4.0937 4.3702 4.4869 4.6704 4.8815 5.0026 5.4159 5.7303 7.4014 7.6720 8.5354 8.7867 12.8909 12.9378 13.8832 14.1498 15.4555 15.5345 k = 0.5000 0.1203 0.4423 ( 7044 PWs) bands (ev): -37.3022 -37.3022 -36.8602 -36.8601 -6.0781 -6.0773 -6.0735 -6.0707 -5.6315 -5.6307 -5.6156 -5.6114 -5.6066 -5.6055 1.5568 1.6051 3.1250 3.1634 3.4227 3.7206 4.1110 4.3687 4.4741 4.6515 4.8946 5.0065 5.3839 5.6975 7.5112 7.7816 8.6301 8.8856 12.8413 12.8861 13.8279 14.1037 15.5061 15.5804 k = 0.5000 0.1283 0.4309 ( 7048 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0781 -6.0773 -6.0735 -6.0709 -5.6315 -5.6307 -5.6155 -5.6116 -5.6066 -5.6056 1.5282 1.5730 3.1191 3.1542 3.4360 3.7158 4.1284 4.3664 4.4620 4.6332 4.9066 5.0112 5.3511 5.6633 7.6278 7.8979 8.7270 8.9860 12.7931 12.8358 13.7690 14.0527 15.5272 15.5920 k = 0.5000 0.1363 0.4196 ( 7052 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0780 -6.0774 -6.0735 -6.0711 -5.6315 -5.6308 -5.6154 -5.6119 -5.6066 -5.6057 1.4996 1.5410 3.1136 3.1453 3.4496 3.7120 4.1456 4.3634 4.4509 4.6157 4.9174 5.0168 5.3182 5.6284 7.7505 8.0201 8.8258 9.0874 12.7462 12.7868 13.7073 13.9977 15.4530 15.5518 k = 0.5000 0.1443 0.4082 ( 7044 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0779 -6.0774 -6.0735 -6.0713 -5.6314 -5.6309 -5.6154 -5.6121 -5.6066 -5.6058 1.4711 1.5093 3.1083 3.1365 3.4634 3.7090 4.1624 4.3595 4.4411 4.5991 4.9267 5.0229 5.2854 5.5934 7.8789 8.1475 8.9263 9.1896 12.7006 12.7393 13.6434 13.9394 15.2895 15.4517 k = 0.5000 0.1524 0.3969 ( 7056 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0778 -6.0773 -6.0735 -6.0715 -5.6314 -5.6310 -5.6153 -5.6123 -5.6066 -5.6059 1.4431 1.4781 3.1033 3.1281 3.4775 3.7069 4.1785 4.3547 4.4328 4.5834 4.9345 5.0293 5.2534 5.5587 8.0125 8.2795 9.0282 9.2923 12.6562 12.6934 13.5777 13.8781 15.0969 15.2957 k = 0.5000 0.1604 0.3856 ( 7054 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0777 -6.0773 -6.0735 -6.0717 -5.6314 -5.6310 -5.6152 -5.6125 -5.6066 -5.6060 1.4156 1.4478 3.0986 3.1200 3.4919 3.7057 4.1937 4.3489 4.4261 4.5688 4.9409 5.0357 5.2227 5.5247 8.1506 8.4155 9.1312 9.3949 12.6128 12.6491 13.5106 13.8144 14.8947 15.1133 k = 0.5000 0.1684 0.3742 ( 7060 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0776 -6.0773 -6.0735 -6.0719 -5.6314 -5.6311 -5.6152 -5.6127 -5.6066 -5.6061 1.3889 1.4183 3.0941 3.1123 3.5063 3.7051 4.2079 4.3424 4.4209 4.5551 4.9457 5.0413 5.1940 5.4916 8.2927 8.5547 9.2351 9.4973 12.5702 12.6066 13.4427 13.7485 14.6892 14.9205 k = 0.5000 0.1764 0.3629 ( 7054 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0775 -6.0772 -6.0736 -6.0722 -5.6314 -5.6311 -5.6151 -5.6129 -5.6066 -5.6062 1.3632 1.3900 3.0898 3.1050 3.5209 3.7051 4.2210 4.3354 4.4172 4.5423 4.9492 5.0452 5.1686 5.4599 8.4385 8.6967 9.3396 9.5988 12.5282 12.5657 13.3742 13.6807 14.4836 14.7240 k = 0.5000 0.1844 0.3515 ( 7058 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0774 -6.0771 -6.0736 -6.0724 -5.6314 -5.6312 -5.6150 -5.6131 -5.6066 -5.6063 1.3387 1.3630 3.0857 3.0982 3.5355 3.7056 4.2329 4.3282 4.4147 4.5305 4.9513 5.0456 5.1482 5.4296 8.5871 8.8406 9.4444 9.6991 12.4864 12.5262 13.3056 13.6112 14.2796 14.5272 k = 0.5000 0.1925 0.3402 ( 7052 PWs) bands (ev): -37.3023 -37.3023 -36.8600 -36.8600 -6.0773 -6.0771 -6.0737 -6.0726 -5.6314 -5.6312 -5.6150 -5.6133 -5.6067 -5.6064 1.3154 1.3374 3.0818 3.0919 3.5501 3.7064 4.2434 4.3210 4.4134 4.5197 4.9521 5.0405 5.1349 5.4011 8.7382 8.9858 9.5494 9.7976 12.4446 12.4880 13.2373 13.5403 14.0788 14.3323 k = 0.5000 0.2005 0.3289 ( 7064 PWs) bands (ev): -37.3023 -37.3023 -36.8600 -36.8600 -6.0772 -6.0770 -6.0738 -6.0728 -5.6315 -5.6312 -5.6149 -5.6134 -5.6067 -5.6064 1.2936 1.3133 3.0781 3.0860 3.5645 3.7074 4.2525 4.3142 4.4129 4.5096 4.9517 5.0293 5.1294 5.3745 8.8909 9.1312 9.6545 9.8937 12.4024 12.4504 13.1700 13.4681 13.8831 14.1411 k = 0.5000 0.2085 0.3175 ( 7070 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0771 -6.0769 -6.0739 -6.0731 -5.6315 -5.6313 -5.6149 -5.6136 -5.6067 -5.6065 1.2733 1.2909 3.0746 3.0807 3.5787 3.7084 4.2601 4.3078 4.4132 4.5004 4.9502 5.0141 5.1298 5.3499 9.0444 9.2756 9.7594 9.9868 12.3593 12.4125 13.1043 13.3949 13.6946 13.9553 k = 0.5000 0.2165 0.3062 ( 7066 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0769 -6.0768 -6.0740 -6.0733 -5.6315 -5.6313 -5.6148 -5.6137 -5.6067 -5.6066 1.2547 1.2703 3.0714 3.0758 3.5927 3.7093 4.2664 4.3020 4.4143 4.4920 4.9477 4.9973 5.1337 5.3274 9.1976 9.4174 9.8643 10.0763 12.3145 12.3731 13.0409 13.3201 13.5164 13.7768 k = 0.5000 0.2245 0.2948 ( 7068 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0768 -6.0766 -6.0741 -6.0735 -5.6315 -5.6313 -5.6148 -5.6138 -5.6067 -5.6066 1.2379 1.2515 3.0684 3.0715 3.6062 3.7099 4.2713 4.2969 4.4159 4.4843 4.9443 4.9808 5.1394 5.3069 9.3493 9.5546 9.9693 10.1614 12.2670 12.3306 12.9808 13.2411 13.3552 13.6077 k = 0.5000 0.2325 0.2835 ( 7066 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0766 -6.0765 -6.0742 -6.0737 -5.6315 -5.6313 -5.6147 -5.6139 -5.6068 -5.6067 1.2229 1.2347 3.0656 3.0678 3.6193 3.7101 4.2750 4.2925 4.4181 4.4773 4.9402 4.9656 5.1461 5.2884 9.4975 9.6846 10.0744 10.2416 12.2158 12.2827 12.9251 13.1456 13.2278 13.4507 k = 0.5000 0.2406 0.2722 ( 7062 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0765 -6.0764 -6.0744 -6.0740 -5.6316 -5.6314 -5.6147 -5.6140 -5.6068 -5.6067 1.2099 1.2199 3.0632 3.0645 3.6317 3.7097 4.2775 4.2888 4.4206 4.4708 4.9357 4.9522 5.1532 5.2718 9.6398 9.8043 10.1796 10.3166 12.1598 12.2271 12.8747 13.0316 13.1415 13.3087 k = 0.5000 0.2486 0.2608 ( 7066 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0763 -6.0762 -6.0745 -6.0742 -5.6316 -5.6314 -5.6147 -5.6141 -5.6068 -5.6068 1.1989 1.2071 3.0610 3.0618 3.6435 3.7086 4.2791 4.2859 4.4235 4.4649 4.9310 4.9408 5.1607 5.2569 9.7728 9.9106 10.2838 10.3862 12.0984 12.1626 12.8308 12.9275 13.0733 13.1848 k = 0.5000 0.2566 0.2495 ( 7072 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0762 -6.0761 -6.0747 -6.0744 -5.6316 -5.6314 -5.6146 -5.6142 -5.6068 -5.6068 1.1899 1.1965 3.0592 3.0596 3.6545 3.7067 4.2799 4.2837 4.4267 4.4595 4.9265 4.9316 5.1683 5.2435 9.8921 10.0005 10.3841 10.4505 12.0331 12.0907 12.7943 12.8460 13.0143 13.0820 k = 0.5000 0.2646 0.2381 ( 7078 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0760 -6.0760 -6.0748 -6.0746 -5.6316 -5.6314 -5.6146 -5.6143 -5.6068 -5.6068 1.1831 1.1880 3.0577 3.0579 3.6646 3.7038 4.2802 4.2822 4.4301 4.4545 4.9225 4.9246 5.1762 5.2315 9.9928 10.0715 10.4749 10.5094 11.9683 12.0165 12.7657 12.7884 12.9641 13.0022 k = 0.5000 0.2726 0.2268 ( 7076 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0759 -6.0758 -6.0749 -6.0748 -5.6315 -5.6315 -5.6145 -5.6143 -5.6068 -5.6068 1.1784 1.1817 3.0567 3.0567 3.6738 3.6999 4.2802 4.2812 4.4336 4.4498 4.9192 4.9198 5.1842 5.2206 10.0704 10.1211 10.5484 10.5604 11.9126 11.9486 12.7451 12.7520 12.9250 12.9459 k = 0.5000 0.2807 0.2155 ( 7076 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0757 -6.0757 -6.0750 -6.0749 -5.6315 -5.6315 -5.6145 -5.6144 -5.6068 -5.6068 1.1759 1.1776 3.0560 3.0560 3.6819 3.6950 4.2801 4.2806 4.4374 4.4454 4.9170 4.9171 5.1925 5.2106 10.1224 10.1471 10.5961 10.5977 11.8771 11.8968 12.7322 12.7331 12.9013 12.9112 k = 0.5000 0.2887 0.2041 ( 7120 PWs) bands (ev): -37.3025 -37.3025 -36.8600 -36.8600 -6.0757 -6.0757 -6.0750 -6.0750 -5.6315 -5.6315 -5.6144 -5.6144 -5.6068 -5.6068 1.1756 1.1756 3.0558 3.0558 3.6890 3.6890 4.2803 4.2803 4.4413 4.4413 4.9162 4.9162 5.2013 5.2013 10.1478 10.1478 10.6122 10.6122 11.8711 11.8711 12.7275 12.7275 12.8964 12.8964 k = 0.5000 0.2887 0.2041 ( 7120 PWs) bands (ev): -37.3025 -37.3025 -36.8600 -36.8600 -6.0757 -6.0757 -6.0750 -6.0750 -5.6315 -5.6315 -5.6144 -5.6144 -5.6068 -5.6068 1.1756 1.1756 3.0558 3.0558 3.6890 3.6890 4.2803 4.2803 4.4413 4.4413 4.9162 4.9162 5.2013 5.2013 10.1478 10.1478 10.6122 10.6122 11.8711 11.8711 12.7275 12.7275 12.8964 12.8964 k = 0.4961 0.2864 0.2169 ( 7075 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0757 -6.0757 -6.0750 -6.0749 -5.6315 -5.6315 -5.6145 -5.6144 -5.6068 -5.6068 1.1759 1.1775 3.0560 3.0560 3.6821 3.6949 4.2801 4.2806 4.4375 4.4453 4.9170 4.9170 5.1928 5.2103 10.1233 10.1474 10.5973 10.5980 11.8766 11.8958 12.7324 12.7324 12.9009 12.9106 k = 0.4922 0.2842 0.2296 ( 7075 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0758 -6.0758 -6.0749 -6.0748 -5.6315 -5.6315 -5.6145 -5.6143 -5.6068 -5.6068 1.1783 1.1814 3.0566 3.0567 3.6742 3.6997 4.2802 4.2811 4.4338 4.4496 4.9191 4.9196 5.1846 5.2201 10.0739 10.1228 10.5546 10.5598 11.9103 11.9452 12.7474 12.7475 12.9242 12.9428 k = 0.4883 0.2819 0.2424 ( 7073 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0760 -6.0760 -6.0748 -6.0746 -5.6316 -5.6314 -5.6146 -5.6143 -5.6068 -5.6068 1.1827 1.1874 3.0576 3.0579 3.6654 3.7036 4.2804 4.2819 4.4304 4.4541 4.9224 4.9239 5.1768 5.2306 10.0004 10.0747 10.4907 10.5049 11.9646 12.0093 12.7741 12.7748 12.9657 12.9921 k = 0.4844 0.2797 0.2552 ( 7071 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0761 -6.0761 -6.0747 -6.0744 -5.6316 -5.6314 -5.6146 -5.6142 -5.6068 -5.6068 1.1891 1.1955 3.0589 3.0596 3.6556 3.7064 4.2807 4.2828 4.4271 4.4589 4.9267 4.9302 5.1691 5.2423 9.9055 10.0041 10.4138 10.4399 12.0289 12.0777 12.8147 12.8170 13.0244 13.0576 k = 0.4805 0.2774 0.2679 ( 7066 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0763 -6.0762 -6.0745 -6.0742 -5.6316 -5.6314 -5.6147 -5.6141 -5.6068 -5.6068 1.1976 1.2056 3.0605 3.0618 3.6450 3.7084 4.2808 4.2839 4.4243 4.4639 4.9316 4.9383 5.1616 5.2551 9.7926 9.9129 10.3306 10.3688 12.0937 12.1411 12.8712 12.8766 13.0992 13.1378 k = 0.4766 0.2751 0.2807 ( 7067 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0764 -6.0764 -6.0744 -6.0740 -5.6316 -5.6314 -5.6147 -5.6140 -5.6068 -5.6067 1.2081 1.2178 3.0623 3.0646 3.6336 3.7096 4.2807 4.2852 4.4219 4.4692 4.9369 4.9484 5.1543 5.2694 9.6661 9.8044 10.2451 10.2935 12.1517 12.1940 12.9452 12.9545 13.1886 13.2315 k = 0.4727 0.2729 0.2934 ( 7067 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0766 -6.0765 -6.0743 -6.0738 -5.6315 -5.6313 -5.6147 -5.6140 -5.6068 -5.6067 1.2204 1.2319 3.0643 3.0680 3.6215 3.7101 4.2801 4.2867 4.4203 4.4747 4.9423 4.9603 5.1472 5.2854 9.5295 9.6822 10.1587 10.2151 12.1994 12.2344 13.0361 13.0492 13.2913 13.3373 k = 0.4688 0.2706 0.3062 ( 7065 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0767 -6.0766 -6.0741 -6.0736 -5.6315 -5.6313 -5.6148 -5.6138 -5.6068 -5.6066 1.2346 1.2479 3.0664 3.0721 3.6089 3.7100 4.2785 4.2885 4.4197 4.4804 4.9475 4.9737 5.1405 5.3032 9.3860 9.5501 10.0718 10.1340 12.2359 12.2632 13.1419 13.1575 13.4060 13.4539 k = 0.4648 0.2684 0.3189 ( 7065 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0769 -6.0768 -6.0740 -6.0734 -5.6315 -5.6313 -5.6148 -5.6137 -5.6068 -5.6065 1.2507 1.2657 3.0687 3.0768 3.5958 3.7095 4.2758 4.2907 4.4204 4.4861 4.9523 4.9883 5.1345 5.3229 9.2379 9.4114 9.9843 10.0507 12.2627 12.2827 13.2593 13.2758 13.5308 13.5797 k = 0.4609 0.2661 0.3317 ( 7067 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0770 -6.0769 -6.0739 -6.0732 -5.6315 -5.6313 -5.6148 -5.6136 -5.6068 -5.6064 1.2684 1.2853 3.0709 3.0821 3.5822 3.7086 4.2717 4.2933 4.4228 4.4919 4.9565 5.0033 5.1299 5.3447 9.0872 9.2684 9.8964 9.9658 12.2816 12.2952 13.3855 13.4013 13.6638 13.7130 k = 0.4570 0.2639 0.3445 ( 7063 PWs) bands (ev): -37.3024 -37.3024 -36.8600 -36.8600 -6.0771 -6.0770 -6.0738 -6.0730 -5.6315 -5.6313 -5.6149 -5.6135 -5.6068 -5.6063 1.2877 1.3066 3.0732 3.0883 3.5683 3.7077 4.2659 4.2963 4.4269 4.4976 4.9600 5.0174 5.1278 5.3684 8.9351 9.1232 9.8079 9.8796 12.2945 12.3026 13.5181 13.5319 13.8029 13.8520 k = 0.4531 0.2616 0.3572 ( 7061 PWs) bands (ev): -37.3023 -37.3023 -36.8600 -36.8600 -6.0772 -6.0771 -6.0736 -6.0728 -5.6314 -5.6312 -5.6149 -5.6133 -5.6068 -5.6062 1.3085 1.3295 3.0753 3.0952 3.5542 3.7067 4.2584 4.2999 4.4328 4.5034 4.9626 5.0285 5.1302 5.3942 8.7829 8.9771 9.7193 9.7927 12.3028 12.3064 13.6554 13.6665 13.9460 13.9947 k = 0.4492 0.2594 0.3700 ( 7055 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0773 -6.0772 -6.0735 -6.0726 -5.6314 -5.6312 -5.6150 -5.6132 -5.6068 -5.6061 1.3308 1.3539 3.0773 3.1028 3.5398 3.7059 4.2492 4.3040 4.4407 4.5092 4.9644 5.0345 5.1390 5.4219 8.6314 8.8311 9.6306 9.7054 12.3074 12.3077 13.7964 13.8044 14.0909 14.1392 k = 0.4453 0.2571 0.3827 ( 7057 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0774 -6.0773 -6.0734 -6.0724 -5.6313 -5.6312 -5.6150 -5.6130 -5.6069 -5.6060 1.3543 1.3796 3.0790 3.1114 3.5253 3.7054 4.2385 4.3088 4.4503 4.5149 4.9652 5.0346 5.1547 5.4514 8.4814 8.6862 9.5422 9.6180 12.3066 12.3101 13.9403 13.9449 14.2353 14.2832 k = 0.4414 0.2548 0.3955 ( 7051 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0775 -6.0774 -6.0734 -6.0722 -5.6313 -5.6312 -5.6151 -5.6128 -5.6069 -5.6058 1.3789 1.4064 3.0805 3.1208 3.5107 3.7054 4.2263 4.3142 4.4615 4.5207 4.9652 5.0301 5.1758 5.4825 8.3337 8.5432 9.4544 9.5311 12.3045 12.3106 14.0865 14.0876 14.3769 14.4240 k = 0.4375 0.2526 0.4082 ( 7049 PWs) bands (ev): -37.3023 -37.3023 -36.8601 -36.8600 -6.0775 -6.0775 -6.0733 -6.0720 -5.6312 -5.6312 -5.6151 -5.6127 -5.6069 -5.6057 1.4046 1.4344 3.0816 3.1311 3.4960 3.7061 4.2129 4.3202 4.4743 4.5267 4.9644 5.0225 5.2006 5.5148 8.1888 8.4026 9.3673 9.4447 12.3014 12.3097 14.2319 14.2345 14.5133 14.5588 k = 0.4336 0.2503 0.4210 ( 7051 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0776 -6.0776 -6.0732 -6.0718 -5.6312 -5.6312 -5.6152 -5.6125 -5.6070 -5.6055 1.4310 1.4631 3.0822 3.1424 3.4813 3.7075 4.1983 4.3268 4.4886 4.5329 4.9627 5.0129 5.2277 5.5482 8.0475 8.2652 9.2813 9.3593 12.2977 12.3078 14.3766 14.3837 14.6416 14.6837 k = 0.4297 0.2481 0.4338 ( 7051 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0776 -6.0776 -6.0732 -6.0717 -5.6312 -5.6311 -5.6152 -5.6123 -5.6070 -5.6054 1.4580 1.4926 3.0824 3.1546 3.4666 3.7098 4.1827 4.3341 4.5042 4.5394 4.9604 5.0018 5.2560 5.5824 7.9103 8.1314 9.1965 9.2751 12.2936 12.3051 14.5195 14.5324 14.7588 14.7942 k = 0.4258 0.2458 0.4465 ( 7048 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0777 -6.0777 -6.0731 -6.0715 -5.6312 -5.6311 -5.6153 -5.6121 -5.6071 -5.6052 1.4855 1.5225 3.0820 3.1679 3.4519 3.7131 4.1663 4.3418 4.5211 4.5465 4.9575 4.9896 5.2850 5.6168 7.7778 8.0020 9.1133 9.1922 12.2893 12.3020 14.6550 14.6771 14.8643 14.8871 k = 0.4219 0.2436 0.4593 ( 7045 PWs) bands (ev): -37.3022 -37.3022 -36.8601 -36.8601 -6.0777 -6.0777 -6.0731 -6.0713 -5.6312 -5.6310 -5.6153 -5.6119 -5.6072 -5.6051 1.5132 1.5526 3.0810 3.1821 3.4373 3.7175 4.1493 4.3499 4.5393 4.5542 4.9539 4.9765 5.3138 5.6512 7.6510 7.8775 9.0317 9.1109 12.2849 12.2985 14.7689 14.8039 14.9660 14.9688 k = 0.4180 0.2413 0.4720 ( 7053 PWs) bands (ev): -37.3022 -37.3022 -36.8602 -36.8601 -6.0778 -6.0777 -6.0731 -6.0712 -5.6312 -5.6310 -5.6154 -5.6117 -5.6072 -5.6049 1.5409 1.5826 3.0795 3.1973 3.4228 3.7230 4.1318 4.3582 4.5586 4.5629 4.9499 4.9627 5.3419 5.6848 7.5304 7.7587 8.9521 9.0315 12.2806 12.2949 14.8379 14.8759 15.0722 15.0822 k = 0.4141 0.2391 0.4848 ( 7049 PWs) bands (ev): -37.3022 -37.3022 -36.8602 -36.8601 -6.0778 -6.0777 -6.0730 -6.0711 -5.6312 -5.6309 -5.6154 -5.6114 -5.6073 -5.6048 1.5683 1.6124 3.0772 3.2133 3.4086 3.7297 4.1140 4.3665 4.5727 4.5790 4.9456 4.9483 5.3686 5.7172 7.4169 7.6464 8.8745 8.9540 12.2764 12.2912 14.8566 14.8828 15.2093 15.2185 k = 0.4102 0.2368 0.4976 ( 7045 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0778 -6.0777 -6.0730 -6.0710 -5.6313 -5.6308 -5.6155 -5.6112 -5.6074 -5.6046 1.5952 1.6416 3.0744 3.2299 3.3947 3.7375 4.0962 4.3746 4.5839 4.6004 4.9333 4.9409 5.3931 5.7475 7.3116 7.5416 8.7992 8.8788 12.2725 12.2876 14.8377 14.8505 15.3598 15.3657 k = 0.4062 0.2345 0.5103 ( 7041 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0778 -6.0777 -6.0730 -6.0709 -5.6313 -5.6308 -5.6155 -5.6110 -5.6075 -5.6045 1.6214 1.6700 3.0710 3.2467 3.3814 3.7464 4.0785 4.3821 4.5967 4.6228 4.9180 4.9360 5.4147 5.7749 7.2155 7.4452 8.7263 8.8059 12.2690 12.2842 14.7934 14.7949 15.5144 15.5175 k = 0.4023 0.2323 0.5231 ( 7041 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0778 -6.0777 -6.0731 -6.0708 -5.6313 -5.6307 -5.6156 -5.6108 -5.6075 -5.6044 1.6465 1.6972 3.0669 3.2629 3.3694 3.7561 4.0614 4.3888 4.6117 4.6462 4.9024 4.9310 5.4325 5.7983 7.1295 7.3584 8.6561 8.7355 12.2658 12.2810 14.7249 14.7323 15.6697 15.6705 k = 0.3984 0.2300 0.5358 ( 7041 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8601 -6.0778 -6.0777 -6.0731 -6.0707 -5.6313 -5.6307 -5.6156 -5.6106 -5.6076 -5.6042 1.6703 1.7229 3.0624 3.2768 3.3601 3.7666 4.0451 4.3942 4.6289 4.6703 4.8867 4.9260 5.4459 5.8167 7.0549 7.2824 8.5887 8.6679 12.2630 12.2781 14.6457 14.6602 15.8223 15.8235 k = 0.3945 0.2278 0.5486 ( 7054 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0778 -6.0776 -6.0731 -6.0706 -5.6313 -5.6307 -5.6156 -5.6104 -5.6077 -5.6041 1.6925 1.7468 3.0574 3.2851 3.3566 3.7775 4.0301 4.3979 4.6487 4.6952 4.8712 4.9212 5.4543 5.8290 6.9925 7.2186 8.5243 8.6032 12.2607 12.2756 14.5609 14.5809 15.9707 15.9739 k = 0.3906 0.2255 0.5613 ( 7055 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0778 -6.0776 -6.0732 -6.0706 -5.6313 -5.6306 -5.6156 -5.6102 -5.6077 -5.6040 1.7129 1.7686 3.0520 3.2846 3.3615 3.7886 4.0168 4.3996 4.6712 4.7206 4.8562 4.9169 5.4573 5.8343 6.9430 7.1679 8.4631 8.5416 12.2589 12.2735 14.4727 14.4971 16.1133 16.1183 k = 0.3867 0.2233 0.5741 ( 7051 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0778 -6.0776 -6.0732 -6.0705 -5.6313 -5.6306 -5.6157 -5.6101 -5.6077 -5.6039 1.7311 1.7880 3.0463 3.2767 3.3729 3.7995 4.0059 4.3990 4.6964 4.7461 4.8421 4.9133 5.4549 5.8320 6.9069 7.1312 8.4053 8.4833 12.2577 12.2719 14.3826 14.4106 16.2467 16.2535 k = 0.3828 0.2210 0.5869 ( 7045 PWs) bands (ev): -37.3021 -37.3021 -36.8602 -36.8602 -6.0778 -6.0775 -6.0733 -6.0705 -5.6314 -5.6306 -5.6157 -5.6100 -5.6077 -5.6038 1.7469 1.8048 3.0403 3.2647 3.3870 3.8097 3.9979 4.3956 4.7238 4.7711 4.8299 4.9113 5.4477 5.8222 6.8842 7.1088 8.3511 8.4285 12.2571 12.2708 14.2918 14.3227 16.3670 16.3755 k = 0.3789 0.2188 0.5996 ( 7041 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0777 -6.0775 -6.0733 -6.0705 -5.6314 -5.6306 -5.6157 -5.6100 -5.6076 -5.6038 1.7600 1.8185 3.0343 3.2507 3.4011 3.8187 3.9934 4.3896 4.7515 4.7943 4.8214 4.9119 5.4368 5.8053 6.8742 7.1002 8.3006 8.3773 12.2571 12.2702 14.2009 14.2343 16.4699 16.4795 k = 0.3750 0.2165 0.6124 ( 7030 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0777 -6.0774 -6.0734 -6.0705 -5.6314 -5.6306 -5.6157 -5.6100 -5.6076 -5.6037 1.7701 1.8291 3.0283 3.2357 3.4135 3.8261 3.9929 4.3807 4.7719 4.8137 4.8242 4.9172 5.4237 5.7828 6.8760 7.1046 8.2540 8.3300 12.2577 12.2702 14.1104 14.1460 16.5517 16.5619 k = 0.6250-0.0722 0.4082 ( 7030 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0777 -6.0774 -6.0734 -6.0705 -5.6314 -5.6306 -5.6157 -5.6100 -5.6076 -5.6037 1.7701 1.8291 3.0283 3.2357 3.4135 3.8261 3.9929 4.3807 4.7719 4.8137 4.8242 4.9172 5.4237 5.7828 6.8760 7.1046 8.2540 8.3300 12.2577 12.2702 14.1104 14.1460 16.5517 16.5619 k = 0.6181-0.0842 0.4082 ( 7038 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0776 -6.0773 -6.0735 -6.0705 -5.6314 -5.6306 -5.6156 -5.6100 -5.6074 -5.6037 1.7847 1.8438 3.0175 3.2075 3.4341 3.8367 3.9964 4.3617 4.7868 4.8428 4.8550 4.9332 5.4010 5.7388 6.8919 7.1251 8.1766 8.2510 12.2593 12.2707 13.9510 13.9898 16.6789 16.6894 k = 0.6111-0.0962 0.4082 ( 7042 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0776 -6.0772 -6.0736 -6.0705 -5.6315 -5.6306 -5.6156 -5.6101 -5.6071 -5.6036 1.7976 1.8566 3.0064 3.1784 3.4554 3.8462 4.0009 4.3410 4.7954 4.8699 4.8939 4.9526 5.3807 5.6951 6.9125 7.1490 8.1027 8.1754 12.2610 12.2712 13.7933 13.8349 16.8090 16.8197 k = 0.6042-0.1083 0.4082 ( 7050 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0775 -6.0770 -6.0737 -6.0706 -5.6315 -5.6306 -5.6156 -5.6102 -5.6069 -5.6036 1.8092 1.8675 2.9951 3.1491 3.4774 3.8548 4.0058 4.3189 4.8032 4.8939 4.9344 4.9758 5.3630 5.6520 6.9376 7.1756 8.0326 8.1033 12.2626 12.2716 13.6386 13.6825 16.9418 16.9528 k = 0.5972-0.1203 0.4082 ( 7052 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0774 -6.0769 -6.0738 -6.0706 -5.6315 -5.6306 -5.6155 -5.6104 -5.6066 -5.6035 1.8195 1.8768 2.9838 3.1202 3.5000 3.8626 4.0108 4.2957 4.8118 4.9145 4.9740 5.0027 5.3477 5.6098 6.9665 7.2040 7.9665 8.0351 12.2642 12.2720 13.4879 13.5334 17.0773 17.0885 k = 0.5903-0.1323 0.4082 ( 7036 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0773 -6.0767 -6.0740 -6.0707 -5.6315 -5.6306 -5.6154 -5.6105 -5.6064 -5.6034 1.8286 1.8844 2.9726 3.0922 3.5231 3.8700 4.0154 4.2716 4.8214 4.9322 5.0117 5.0322 5.3351 5.5687 6.9988 7.2334 7.9048 7.9708 12.2657 12.2722 13.3421 13.3886 17.2153 17.2268 k = 0.5833-0.1443 0.4082 ( 7038 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0772 -6.0766 -6.0741 -6.0708 -5.6315 -5.6307 -5.6154 -5.6107 -5.6061 -5.6034 1.8366 1.8906 2.9617 3.0654 3.5469 3.8768 4.0194 4.2468 4.8321 4.9478 5.0466 5.0630 5.3252 5.5290 7.0336 7.2630 7.8478 7.9109 12.2670 12.2722 13.2023 13.2491 17.3555 17.3674 k = 0.5764-0.1564 0.4082 ( 7034 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0772 -6.0764 -6.0742 -6.0710 -5.6315 -5.6307 -5.6153 -5.6109 -5.6059 -5.6034 1.8438 1.8954 2.9511 3.0403 3.5711 3.8833 4.0227 4.2214 4.8438 4.9618 5.0778 5.0939 5.3182 5.4909 7.0704 7.2918 7.7961 7.8555 12.2683 12.2719 13.0695 13.1158 17.4977 17.5100 k = 0.5694-0.1684 0.4082 ( 7044 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0771 -6.0763 -6.0742 -6.0711 -5.6315 -5.6307 -5.6151 -5.6111 -5.6057 -5.6034 1.8501 1.8989 2.9411 3.0169 3.5959 3.8895 4.0252 4.1956 4.8564 4.9745 5.1049 5.1241 5.3143 5.4547 7.1081 7.3185 7.7504 7.8051 12.2693 12.2714 12.9446 12.9895 17.6414 17.6543 k = 0.5625-0.1804 0.4082 ( 7038 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0770 -6.0761 -6.0743 -6.0713 -5.6315 -5.6308 -5.6150 -5.6113 -5.6054 -5.6033 1.8558 1.9012 2.9316 2.9955 3.6211 3.8952 4.0267 4.1697 4.8699 4.9859 5.1274 5.1528 5.3134 5.4208 7.1458 7.3417 7.7114 7.7601 12.2700 12.2704 12.8287 12.8712 17.7860 17.7996 k = 0.5556-0.1925 0.4082 ( 7044 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0769 -6.0760 -6.0743 -6.0714 -5.6315 -5.6308 -5.6149 -5.6116 -5.6052 -5.6033 1.8608 1.9026 2.9230 2.9761 3.6467 3.9004 4.0274 4.1438 4.8840 4.9961 5.1452 5.1792 5.3154 5.3895 7.1824 7.3601 7.6801 7.7209 12.2687 12.2703 12.7230 12.7620 17.9308 17.9454 k = 0.5486-0.2045 0.4082 ( 7042 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0768 -6.0759 -6.0743 -6.0716 -5.6315 -5.6309 -5.6147 -5.6118 -5.6050 -5.6033 1.8655 1.9030 2.9153 2.9588 3.6727 3.9047 4.0273 4.1185 4.8987 5.0047 5.1585 5.2025 5.3197 5.3617 7.2166 7.3721 7.6571 7.6881 12.2661 12.2700 12.6286 12.6629 18.0745 18.0904 k = 0.5417-0.2165 0.4082 ( 7054 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0767 -6.0758 -6.0743 -6.0718 -5.6315 -5.6309 -5.6146 -5.6120 -5.6048 -5.6034 1.8697 1.9027 2.9086 2.9437 3.6989 3.9077 4.0264 4.0941 4.9139 5.0115 5.1682 5.2211 5.3254 5.3387 7.2473 7.3774 7.6426 7.6622 12.2622 12.2687 12.5468 12.5752 18.2152 18.2328 k = 0.5347-0.2285 0.4082 ( 7054 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0766 -6.0758 -6.0742 -6.0720 -5.6314 -5.6310 -5.6144 -5.6123 -5.6046 -5.6034 1.8736 1.9017 2.9030 2.9307 3.7253 3.9086 4.0249 4.0715 4.9292 5.0163 5.1752 5.2325 5.3231 5.3313 7.2734 7.3765 7.6351 7.6434 12.2565 12.2659 12.4789 12.5003 18.3499 18.3700 k = 0.5278-0.2406 0.4082 ( 7062 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0765 -6.0758 -6.0740 -6.0722 -5.6314 -5.6310 -5.6142 -5.6125 -5.6044 -5.6034 1.8773 1.9001 2.8986 2.9197 3.7517 3.9065 4.0230 4.0518 4.9446 5.0186 5.1806 5.2340 5.3177 5.3365 7.2944 7.3713 7.6315 7.6323 12.2484 12.2607 12.4263 12.4398 18.4743 18.4971 k = 0.5208-0.2526 0.4082 ( 7064 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8603 -6.0764 -6.0759 -6.0738 -6.0725 -5.6314 -5.6311 -5.6140 -5.6127 -5.6042 -5.6035 1.8808 1.8981 2.8956 2.9108 3.7779 3.9001 4.0208 4.0362 4.9597 5.0181 5.1851 5.2275 5.3207 5.3403 7.3104 7.3637 7.6259 7.6319 12.2385 12.2522 12.3891 12.3955 18.5817 18.6063 k = 0.5139-0.2646 0.4082 ( 7062 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8603 -6.0763 -6.0760 -6.0736 -6.0727 -5.6313 -5.6311 -5.6138 -5.6130 -5.6041 -5.6036 1.8841 1.8958 2.8940 2.9038 3.8036 3.8885 4.0188 4.0255 4.9741 5.0146 5.1895 5.2180 5.3272 5.3421 7.3223 7.3554 7.6248 7.6317 12.2288 12.2408 12.3658 12.3676 18.6645 18.6863 k = 0.5069-0.2766 0.4082 ( 7054 PWs) bands (ev): -37.3020 -37.3020 -36.8603 -36.8602 -6.0762 -6.0761 -6.0734 -6.0729 -5.6313 -5.6312 -5.6136 -5.6132 -5.6039 -5.6037 1.8873 1.8932 2.8939 2.8988 3.8283 3.8719 4.0173 4.0195 4.9873 5.0081 5.1946 5.2087 5.3337 5.3416 7.3315 7.3473 7.6263 7.6308 12.2228 12.2296 12.3534 12.3535 18.7175 18.7301 k = 0.5000-0.2887 0.4082 ( 7046 PWs) bands (ev): -37.3020 -37.3020 -36.8602 -36.8602 -6.0761 -6.0761 -6.0732 -6.0732 -5.6312 -5.6312 -5.6134 -5.6134 -5.6038 -5.6038 1.8903 1.8903 2.8955 2.8955 3.8514 3.8514 4.0173 4.0173 4.9988 4.9988 5.2009 5.2009 5.3387 5.3387 7.3395 7.3395 7.6288 7.6288 12.2229 12.2229 12.3494 12.3494 18.7395 18.7395 Writing output data file Li2GaAu.save init_run : 1.02s CPU 0.58s WALL ( 1 calls) electrons : 316.18s CPU 202.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 316.18s CPU 202.49s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.23s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.37s CPU 0.53s WALL ( 339 calls) cegterg : 267.68s CPU 173.84s WALL ( 434 calls) Called by sum_band: Called by *egterg: h_psi : 221.79s CPU 129.16s WALL ( 7118 calls) s_psi : 7.20s CPU 4.54s WALL ( 7118 calls) g_psi : 0.38s CPU 0.30s WALL ( 6345 calls) cdiaghg : 51.63s CPU 41.72s WALL ( 6684 calls) cegterg:over : 9.30s CPU 6.71s WALL ( 6345 calls) cegterg:upda : 9.14s CPU 6.92s WALL ( 6345 calls) cegterg:last : 3.68s CPU 2.74s WALL ( 1145 calls) cdiaghg:chol : 2.98s CPU 2.46s WALL ( 6684 calls) cdiaghg:inve : 1.46s CPU 1.25s WALL ( 6684 calls) cdiaghg:para : 2.82s CPU 2.29s WALL ( 13368 calls) Called by h_psi: h_psi:vloc : 206.60s CPU 119.19s WALL ( 7118 calls) h_psi:vnl : 14.78s CPU 9.71s WALL ( 7118 calls) add_vuspsi : 7.74s CPU 5.02s WALL ( 7118 calls) General routines calbec : 7.00s CPU 4.66s WALL ( 7118 calls) fft : 0.09s CPU 0.05s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 197.15s CPU 113.03s WALL ( 595348 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.41s CPU 1.06s WALL ( 678 calls) Parallel routines fft_scatter : 69.68s CPU 44.49s WALL ( 595371 calls) PWSCF : 5m35.16s CPU 3m55.86s WALL This run was terminated on: 6:16: 9 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=