Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:13:47 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: ./MnSbPt.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 57 42 12 1708 1079 165 Max 58 43 13 1713 1098 168 Sum 2053 1519 433 61527 39189 5961 bravais-lattice index = 14 lattice parameter (alat) = 8.2980 a.u. unit-cell volume = 404.0279 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.298038 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 Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 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 PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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 Mn 15.00 54.93800 Mn( 1.00) Sb 5.00 121.76000 Sb( 1.00) Pt 10.00 195.08400 Pt( 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= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0029674 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0029674 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0029674 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0029674 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0029674 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0029674 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0029674 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0029674 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0029674 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0029674 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0029674 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0029674 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0029674 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0029674 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0029674 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0029674 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0029674 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0029674 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0029674 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0029674 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0029674 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0029674 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0029674 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0029674 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0029674 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0029674 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0029674 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0029674 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0029674 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0029674 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0029674 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0029674 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0029674 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0029674 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0029674 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0029674 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0029674 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0029674 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0029674 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0029674 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0029674 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0029674 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0029674 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0029674 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0029674 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0029674 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0029674 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0029674 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0029674 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0029674 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0029674 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0029674 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0029674 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0029674 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0029674 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0029674 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0029674 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0029674 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0029674 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0029674 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0029674 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0029674 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0029674 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0029674 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0029674 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0029674 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0029674 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0029674 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0029674 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0029674 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0029674 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0029674 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0029674 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0029674 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0029674 k( 79) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 80) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 81) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029674 k( 82) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029674 k( 83) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029674 k( 84) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029674 k( 85) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029674 k( 86) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029674 k( 87) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029674 k( 88) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029674 k( 89) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029674 k( 90) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029674 k( 91) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029674 k( 92) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029674 k( 93) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029674 k( 94) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029674 k( 95) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029674 k( 96) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029674 k( 97) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029674 k( 98) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 100) = ( 0.3680556 0.2124970 0.6010322), wk = 0.0029674 k( 101) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0029674 k( 102) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0029674 k( 103) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0029674 k( 104) = ( 0.3402778 0.1964595 0.5556713), wk = 0.0029674 k( 105) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0029674 k( 106) = ( 0.3263889 0.1884407 0.5329908), wk = 0.0029674 k( 107) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0029674 k( 108) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0029674 k( 109) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0029674 k( 110) = ( 0.2986111 0.1724032 0.4876299), wk = 0.0029674 k( 111) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0029674 k( 112) = ( 0.2847222 0.1643845 0.4649494), wk = 0.0029674 k( 113) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0029674 k( 114) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0029674 k( 115) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0029674 k( 116) = ( 0.2569444 0.1483469 0.4195885), wk = 0.0029674 k( 117) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0029674 k( 118) = ( 0.2430556 0.1403282 0.3969081), wk = 0.0029674 k( 119) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0029674 k( 120) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0029674 k( 121) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0029674 k( 122) = ( 0.2152778 0.1242907 0.3515471), wk = 0.0029674 k( 123) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0029674 k( 124) = ( 0.2013889 0.1162719 0.3288667), wk = 0.0029674 k( 125) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0029674 k( 126) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0029674 k( 127) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0029674 k( 128) = ( 0.1736111 0.1002344 0.2835058), wk = 0.0029674 k( 129) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0029674 k( 130) = ( 0.1597222 0.0922157 0.2608253), wk = 0.0029674 k( 131) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0029674 k( 132) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0029674 k( 133) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0029674 k( 134) = ( 0.1319444 0.0761782 0.2154644), wk = 0.0029674 k( 135) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0029674 k( 136) = ( 0.1180556 0.0681594 0.1927839), wk = 0.0029674 k( 137) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0029674 k( 138) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0029674 k( 139) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0029674 k( 140) = ( 0.0902778 0.0521219 0.1474230), wk = 0.0029674 k( 141) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0029674 k( 142) = ( 0.0763889 0.0441031 0.1247425), wk = 0.0029674 k( 143) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0029674 k( 144) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0029674 k( 145) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0029674 k( 146) = ( 0.0486111 0.0280656 0.0793816), wk = 0.0029674 k( 147) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0029674 k( 148) = ( 0.0347222 0.0200469 0.0567011), wk = 0.0029674 k( 149) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0029674 k( 150) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0029674 k( 151) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0029674 k( 152) = ( 0.0069444 0.0040094 0.0113402), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029674 k( 156) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029674 k( 157) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029674 k( 158) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029674 k( 159) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029674 k( 160) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029674 k( 161) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029674 k( 162) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029674 k( 163) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029674 k( 164) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029674 k( 165) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029674 k( 166) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029674 k( 167) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029674 k( 168) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029674 k( 169) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029674 k( 170) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029674 k( 171) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029674 k( 172) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029674 k( 173) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029674 k( 174) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029674 k( 175) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029674 k( 176) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029674 k( 177) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029674 k( 178) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029674 k( 179) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029674 k( 180) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029674 k( 181) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029674 k( 182) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029674 k( 183) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029674 k( 184) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029674 k( 185) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029674 k( 186) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029674 k( 187) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029674 k( 188) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029674 k( 189) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029674 k( 190) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029674 k( 191) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029674 k( 192) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029674 k( 193) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029674 k( 194) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029674 k( 195) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029674 k( 196) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029674 k( 197) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029674 k( 198) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 199) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 200) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0029674 k( 201) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0029674 k( 202) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0029674 k( 203) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0029674 k( 204) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0029674 k( 205) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0029674 k( 206) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0029674 k( 207) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0029674 k( 208) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0029674 k( 209) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0029674 k( 210) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0029674 k( 211) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0029674 k( 212) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0029674 k( 213) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0029674 k( 214) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0029674 k( 215) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0029674 k( 216) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0029674 k( 217) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0029674 k( 218) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0029674 k( 219) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0029674 k( 220) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0029674 k( 221) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0029674 k( 222) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0029674 k( 223) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0029674 k( 224) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0029674 k( 225) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0029674 k( 226) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0029674 k( 227) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0029674 k( 228) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0029674 k( 229) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0029674 k( 230) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 231) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 232) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029674 k( 233) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029674 k( 234) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029674 k( 235) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029674 k( 236) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029674 k( 237) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029674 k( 238) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029674 k( 239) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029674 k( 240) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029674 k( 241) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029674 k( 242) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029674 k( 243) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029674 k( 244) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029674 k( 245) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029674 k( 246) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029674 k( 247) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029674 k( 248) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029674 k( 249) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 250) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 251) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029674 k( 252) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029674 k( 253) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029674 k( 254) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029674 k( 255) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029674 k( 256) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029674 k( 257) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029674 k( 258) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029674 k( 259) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029674 k( 260) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029674 k( 261) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029674 k( 262) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029674 k( 263) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029674 k( 264) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029674 k( 265) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029674 k( 266) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029674 k( 267) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029674 k( 268) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029674 k( 269) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029674 k( 270) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029674 k( 271) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029674 k( 272) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029674 k( 273) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029674 k( 274) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029674 k( 275) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029674 k( 276) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029674 k( 277) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029674 k( 278) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029674 k( 279) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029674 k( 280) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029674 k( 281) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029674 k( 282) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029674 k( 283) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029674 k( 284) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029674 k( 285) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029674 k( 286) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 288) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0029674 k( 289) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0029674 k( 290) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0029674 k( 291) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0029674 k( 292) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0029674 k( 293) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0029674 k( 294) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0029674 k( 295) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0029674 k( 296) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0029674 k( 297) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0029674 k( 298) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0029674 k( 299) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0029674 k( 300) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0029674 k( 301) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0029674 k( 302) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0029674 k( 303) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0029674 k( 304) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0029674 k( 305) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0029674 k( 306) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0029674 k( 307) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0029674 k( 308) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0029674 k( 309) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0029674 k( 310) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0029674 k( 311) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0029674 k( 312) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0029674 k( 313) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0029674 k( 314) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0029674 k( 315) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0029674 k( 316) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0029674 k( 317) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0029674 k( 318) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 319) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 320) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029674 k( 321) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029674 k( 322) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029674 k( 323) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029674 k( 324) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029674 k( 325) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029674 k( 326) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029674 k( 327) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029674 k( 328) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029674 k( 329) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029674 k( 330) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029674 k( 331) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029674 k( 332) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029674 k( 333) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029674 k( 334) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029674 k( 335) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029674 k( 336) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029674 k( 337) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0098039 -0.0000000 0.0098039), wk = 0.0029674 k( 3) = ( 0.0196078 -0.0000000 0.0196078), wk = 0.0029674 k( 4) = ( 0.0294118 0.0000000 0.0294118), wk = 0.0029674 k( 5) = ( 0.0392157 -0.0000000 0.0392157), wk = 0.0029674 k( 6) = ( 0.0490196 -0.0000000 0.0490196), wk = 0.0029674 k( 7) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0029674 k( 8) = ( 0.0686275 -0.0000000 0.0686275), wk = 0.0029674 k( 9) = ( 0.0784314 -0.0000000 0.0784314), wk = 0.0029674 k( 10) = ( 0.0882353 -0.0000000 0.0882353), wk = 0.0029674 k( 11) = ( 0.0980392 -0.0000000 0.0980392), wk = 0.0029674 k( 12) = ( 0.1078431 0.0000000 0.1078431), wk = 0.0029674 k( 13) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0029674 k( 14) = ( 0.1274510 -0.0000000 0.1274510), wk = 0.0029674 k( 15) = ( 0.1372549 -0.0000000 0.1372549), wk = 0.0029674 k( 16) = ( 0.1470588 -0.0000000 0.1470588), wk = 0.0029674 k( 17) = ( 0.1568627 -0.0000000 0.1568627), wk = 0.0029674 k( 18) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0029674 k( 19) = ( 0.1764706 -0.0000000 0.1764706), wk = 0.0029674 k( 20) = ( 0.1862745 -0.0000000 0.1862745), wk = 0.0029674 k( 21) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0029674 k( 22) = ( 0.2058823 0.0000000 0.2058823), wk = 0.0029674 k( 23) = ( 0.2156863 0.0000000 0.2156863), wk = 0.0029674 k( 24) = ( 0.2254902 -0.0000000 0.2254902), wk = 0.0029674 k( 25) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0029674 k( 26) = ( 0.2450980 -0.0000000 0.2450980), wk = 0.0029674 k( 27) = ( 0.2549020 -0.0000000 0.2549020), wk = 0.0029674 k( 28) = ( 0.2647059 -0.0000000 0.2647059), wk = 0.0029674 k( 29) = ( 0.2745098 -0.0000000 0.2745098), wk = 0.0029674 k( 30) = ( 0.2843137 -0.0000000 0.2843137), wk = 0.0029674 k( 31) = ( 0.2941177 -0.0000000 0.2941177), wk = 0.0029674 k( 32) = ( 0.3039216 -0.0000000 0.3039216), wk = 0.0029674 k( 33) = ( 0.3137255 -0.0000000 0.3137255), wk = 0.0029674 k( 34) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0029674 k( 35) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0029674 k( 36) = ( 0.3431373 -0.0000000 0.3431373), wk = 0.0029674 k( 37) = ( 0.3529412 -0.0000000 0.3529412), wk = 0.0029674 k( 38) = ( 0.3627451 -0.0000000 0.3627451), wk = 0.0029674 k( 39) = ( 0.3725490 -0.0000000 0.3725490), wk = 0.0029674 k( 40) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0029674 k( 41) = ( 0.3921569 -0.0000000 0.3921569), wk = 0.0029674 k( 42) = ( 0.4019608 -0.0000000 0.4019608), wk = 0.0029674 k( 43) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0029674 k( 44) = ( 0.4215686 0.0000000 0.4215686), wk = 0.0029674 k( 45) = ( 0.4313726 -0.0000000 0.4313725), wk = 0.0029674 k( 46) = ( 0.4411765 0.0000000 0.4411765), wk = 0.0029674 k( 47) = ( 0.4509804 0.0000000 0.4509804), wk = 0.0029674 k( 48) = ( 0.4607843 0.0000000 0.4607843), wk = 0.0029674 k( 49) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0029674 k( 50) = ( 0.4803922 0.0000000 0.4803922), wk = 0.0029674 k( 51) = ( 0.4901961 -0.0000000 0.4901961), wk = 0.0029674 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 54) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0029674 k( 55) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0029674 k( 56) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0029674 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0029674 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0029674 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0029674 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0029674 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0029674 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0029674 k( 63) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0029674 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0029674 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0029674 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0029674 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0029674 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0029674 k( 69) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0029674 k( 70) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0029674 k( 71) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0029674 k( 72) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0029674 k( 73) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0029674 k( 74) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0029674 k( 75) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0029674 k( 76) = ( 0.5000000 0.2211538 0.7211538), wk = 0.0029674 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0029674 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0029674 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 81) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029674 k( 82) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029674 k( 83) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029674 k( 84) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029674 k( 85) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029674 k( 86) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029674 k( 87) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029674 k( 88) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029674 k( 89) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029674 k( 90) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029674 k( 91) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029674 k( 92) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029674 k( 93) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029674 k( 94) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029674 k( 95) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029674 k( 96) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029674 k( 97) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029674 k( 98) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 100) = ( 0.3680556 0.3680556 0.7361111), wk = 0.0029674 k( 101) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0029674 k( 102) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0029674 k( 103) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0029674 k( 104) = ( 0.3402778 0.3402778 0.6805556), wk = 0.0029674 k( 105) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0029674 k( 106) = ( 0.3263889 0.3263889 0.6527778), wk = 0.0029674 k( 107) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0029674 k( 108) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0029674 k( 109) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0029674 k( 110) = ( 0.2986111 0.2986111 0.5972222), wk = 0.0029674 k( 111) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0029674 k( 112) = ( 0.2847222 0.2847222 0.5694444), wk = 0.0029674 k( 113) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0029674 k( 114) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0029674 k( 115) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0029674 k( 116) = ( 0.2569444 0.2569444 0.5138889), wk = 0.0029674 k( 117) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029674 k( 118) = ( 0.2430556 0.2430556 0.4861111), wk = 0.0029674 k( 119) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0029674 k( 120) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0029674 k( 121) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0029674 k( 122) = ( 0.2152778 0.2152778 0.4305556), wk = 0.0029674 k( 123) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0029674 k( 124) = ( 0.2013889 0.2013889 0.4027778), wk = 0.0029674 k( 125) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0029674 k( 126) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0029674 k( 127) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0029674 k( 128) = ( 0.1736111 0.1736111 0.3472222), wk = 0.0029674 k( 129) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029674 k( 130) = ( 0.1597222 0.1597222 0.3194444), wk = 0.0029674 k( 131) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0029674 k( 132) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0029674 k( 133) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0029674 k( 134) = ( 0.1319444 0.1319444 0.2638889), wk = 0.0029674 k( 135) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0029674 k( 136) = ( 0.1180556 0.1180556 0.2361111), wk = 0.0029674 k( 137) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0029674 k( 138) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0029674 k( 139) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0029674 k( 140) = ( 0.0902778 0.0902778 0.1805556), wk = 0.0029674 k( 141) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0029674 k( 142) = ( 0.0763889 0.0763889 0.1527778), wk = 0.0029674 k( 143) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0029674 k( 144) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0029674 k( 145) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0029674 k( 146) = ( 0.0486111 0.0486111 0.0972222), wk = 0.0029674 k( 147) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0029674 k( 148) = ( 0.0347222 0.0347222 0.0694444), wk = 0.0029674 k( 149) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0029674 k( 150) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0029674 k( 151) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0029674 k( 152) = ( 0.0069444 0.0069444 0.0138889), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029674 k( 156) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029674 k( 157) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029674 k( 158) = ( 0.0454546 0.0454546 0.0454545), wk = 0.0029674 k( 159) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029674 k( 160) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029674 k( 161) = ( 0.0795455 0.0795455 0.0795454), wk = 0.0029674 k( 162) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029674 k( 163) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029674 k( 164) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029674 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029674 k( 166) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029674 k( 167) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029674 k( 168) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029674 k( 169) = ( 0.1704546 0.1704546 0.1704545), wk = 0.0029674 k( 170) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029674 k( 171) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029674 k( 172) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0029674 k( 173) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029674 k( 174) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029674 k( 175) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029674 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 177) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029674 k( 178) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029674 k( 179) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029674 k( 180) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029674 k( 181) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029674 k( 182) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029674 k( 183) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0029674 k( 184) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029674 k( 185) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029674 k( 186) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029674 k( 187) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029674 k( 188) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029674 k( 189) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029674 k( 190) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029674 k( 191) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029674 k( 192) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029674 k( 193) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029674 k( 194) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0029674 k( 195) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029674 k( 196) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029674 k( 197) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029674 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 200) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0029674 k( 201) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0029674 k( 202) = ( 0.5120968 0.4758064 0.5120968), wk = 0.0029674 k( 203) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0029674 k( 204) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0029674 k( 205) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0029674 k( 206) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0029674 k( 207) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0029674 k( 208) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0029674 k( 209) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0029674 k( 210) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0029674 k( 211) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0029674 k( 212) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0029674 k( 213) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0029674 k( 214) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0029674 k( 215) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0029674 k( 216) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0029674 k( 217) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0029674 k( 218) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0029674 k( 219) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0029674 k( 220) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0029674 k( 221) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0029674 k( 222) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0029674 k( 223) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0029674 k( 224) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0029674 k( 225) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0029674 k( 226) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0029674 k( 227) = ( 0.6129032 0.2741935 0.6129032), wk = 0.0029674 k( 228) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0029674 k( 229) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0029674 k( 230) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 231) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 232) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029674 k( 233) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029674 k( 234) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029674 k( 235) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029674 k( 236) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029674 k( 237) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029674 k( 238) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029674 k( 239) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029674 k( 240) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029674 k( 241) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029674 k( 242) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029674 k( 243) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029674 k( 244) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029674 k( 245) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029674 k( 246) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029674 k( 247) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029674 k( 248) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029674 k( 249) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 250) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 251) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029674 k( 252) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029674 k( 253) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029674 k( 254) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029674 k( 255) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029674 k( 256) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029674 k( 257) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029674 k( 258) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029674 k( 259) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029674 k( 260) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029674 k( 261) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029674 k( 262) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029674 k( 263) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029674 k( 264) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029674 k( 265) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029674 k( 266) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029674 k( 267) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029674 k( 268) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029674 k( 269) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029674 k( 270) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029674 k( 271) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029674 k( 272) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029674 k( 273) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029674 k( 274) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029674 k( 275) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029674 k( 276) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029674 k( 277) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029674 k( 278) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029674 k( 279) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029674 k( 280) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029674 k( 281) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029674 k( 282) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029674 k( 283) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029674 k( 284) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029674 k( 285) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029674 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 288) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0029674 k( 289) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0029674 k( 290) = ( 0.4879032 0.4879032 0.5241935), wk = 0.0029674 k( 291) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0029674 k( 292) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0029674 k( 293) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0029674 k( 294) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0029674 k( 295) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0029674 k( 296) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0029674 k( 297) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0029674 k( 298) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0029674 k( 299) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0029674 k( 300) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0029674 k( 301) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0029674 k( 302) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0029674 k( 303) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0029674 k( 304) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0029674 k( 305) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0029674 k( 306) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0029674 k( 307) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0029674 k( 308) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0029674 k( 309) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0029674 k( 310) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0029674 k( 311) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0029674 k( 312) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0029674 k( 313) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0029674 k( 314) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0029674 k( 315) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0029674 k( 316) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0029674 k( 317) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0029674 k( 318) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 319) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 320) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029674 k( 321) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029674 k( 322) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029674 k( 323) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029674 k( 324) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029674 k( 325) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029674 k( 326) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029674 k( 327) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029674 k( 328) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029674 k( 329) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029674 k( 330) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029674 k( 331) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029674 k( 332) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029674 k( 333) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029674 k( 334) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029674 k( 335) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029674 k( 336) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029674 k( 337) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 Dense grid: 61527 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 39189 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 294, 38) NL pseudopotentials 0.23 Mb ( 147, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1709) G-vector shells 0.00 Mb ( 443) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 294, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.12 Mb ( 102, 2, 38) The potential is recalculated from file : ./MnSbPt.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 4.9 secs Computing kpt #: 7 total cpu time spent up to now is 5.3 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.5 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.3 secs Computing kpt #: 13 total cpu time spent up to now is 7.7 secs Computing kpt #: 14 total cpu time spent up to now is 8.2 secs Computing kpt #: 15 total cpu time spent up to now is 8.5 secs Computing kpt #: 16 total cpu time spent up to now is 8.9 secs Computing kpt #: 17 total cpu time spent up to now is 9.3 secs Computing kpt #: 18 total cpu time spent up to now is 9.7 secs Computing kpt #: 19 total cpu time spent up to now is 10.2 secs Computing kpt #: 20 total cpu time spent up to now is 10.6 secs Computing kpt #: 21 total cpu time spent up to now is 11.0 secs Computing kpt #: 22 total cpu time spent up to now is 11.4 secs Computing kpt #: 23 total cpu time spent up to now is 11.8 secs Computing kpt #: 24 total cpu time spent up to now is 12.2 secs Computing kpt #: 25 total cpu time spent up to now is 12.7 secs Computing kpt #: 26 total cpu time spent up to now is 13.1 secs Computing kpt #: 27 total cpu time spent up to now is 13.5 secs Computing kpt #: 28 total cpu time spent up to now is 13.9 secs Computing kpt #: 29 total cpu time spent up to now is 14.3 secs Computing kpt #: 30 total cpu time spent up to now is 14.7 secs Computing kpt #: 31 total cpu time spent up to now is 15.1 secs Computing kpt #: 32 total cpu time spent up to now is 15.5 secs Computing kpt #: 33 total cpu time spent up to now is 15.9 secs Computing kpt #: 34 total cpu time spent up to now is 16.3 secs Computing kpt #: 35 total cpu time spent up to now is 16.7 secs Computing kpt #: 36 total cpu time spent up to now is 17.1 secs Computing kpt #: 37 total cpu time spent up to now is 17.5 secs Computing kpt #: 38 total cpu time spent up to now is 17.9 secs Computing kpt #: 39 total cpu time spent up to now is 18.3 secs Computing kpt #: 40 total cpu time spent up to now is 18.7 secs Computing kpt #: 41 total cpu time spent up to now is 19.1 secs Computing kpt #: 42 total cpu time spent up to now is 19.4 secs Computing kpt #: 43 total cpu time spent up to now is 19.8 secs Computing kpt #: 44 total cpu time spent up to now is 20.2 secs Computing kpt #: 45 total cpu time spent up to now is 20.6 secs Computing kpt #: 46 total cpu time spent up to now is 21.0 secs Computing kpt #: 47 total cpu time spent up to now is 21.4 secs Computing kpt #: 48 total cpu time spent up to now is 21.8 secs Computing kpt #: 49 total cpu time spent up to now is 22.2 secs Computing kpt #: 50 total cpu time spent up to now is 22.6 secs Computing kpt #: 51 total cpu time spent up to now is 23.1 secs Computing kpt #: 52 total cpu time spent up to now is 23.4 secs Computing kpt #: 53 total cpu time spent up to now is 23.8 secs Computing kpt #: 54 total cpu time spent up to now is 24.2 secs Computing kpt #: 55 total cpu time spent up to now is 24.6 secs Computing kpt #: 56 total cpu time spent up to now is 25.0 secs Computing kpt #: 57 total cpu time spent up to now is 25.4 secs Computing kpt #: 58 total cpu time spent up to now is 25.8 secs Computing kpt #: 59 total cpu time spent up to now is 26.2 secs Computing kpt #: 60 total cpu time spent up to now is 26.6 secs Computing kpt #: 61 total cpu time spent up to now is 26.9 secs Computing kpt #: 62 total cpu time spent up to now is 27.3 secs Computing kpt #: 63 total cpu time spent up to now is 27.7 secs Computing kpt #: 64 total cpu time spent up to now is 28.1 secs Computing kpt #: 65 total cpu time spent up to now is 28.5 secs Computing kpt #: 66 total cpu time spent up to now is 28.9 secs Computing kpt #: 67 total cpu time spent up to now is 29.3 secs Computing kpt #: 68 total cpu time spent up to now is 29.7 secs Computing kpt #: 69 total cpu time spent up to now is 30.1 secs Computing kpt #: 70 total cpu time spent up to now is 30.5 secs Computing kpt #: 71 total cpu time spent up to now is 30.9 secs Computing kpt #: 72 total cpu time spent up to now is 31.3 secs Computing kpt #: 73 total cpu time spent up to now is 31.8 secs Computing kpt #: 74 total cpu time spent up to now is 32.3 secs Computing kpt #: 75 total cpu time spent up to now is 32.8 secs Computing kpt #: 76 total cpu time spent up to now is 33.5 secs Computing kpt #: 77 total cpu time spent up to now is 33.9 secs Computing kpt #: 78 total cpu time spent up to now is 34.4 secs Computing kpt #: 79 total cpu time spent up to now is 34.8 secs Computing kpt #: 80 total cpu time spent up to now is 35.1 secs Computing kpt #: 81 total cpu time spent up to now is 35.6 secs Computing kpt #: 82 total cpu time spent up to now is 36.0 secs Computing kpt #: 83 total cpu time spent up to now is 36.5 secs Computing kpt #: 84 total cpu time spent up to now is 36.9 secs Computing kpt #: 85 total cpu time spent up to now is 37.3 secs Computing kpt #: 86 total cpu time spent up to now is 37.8 secs Computing kpt #: 87 total cpu time spent up to now is 38.2 secs Computing kpt #: 88 total cpu time spent up to now is 38.6 secs Computing kpt #: 89 total cpu time spent up to now is 39.0 secs Computing kpt #: 90 total cpu time spent up to now is 39.4 secs Computing kpt #: 91 total cpu time spent up to now is 39.8 secs Computing kpt #: 92 total cpu time spent up to now is 40.2 secs Computing kpt #: 93 total cpu time spent up to now is 40.6 secs Computing kpt #: 94 total cpu time spent up to now is 41.0 secs Computing kpt #: 95 total cpu time spent up to now is 41.4 secs Computing kpt #: 96 total cpu time spent up to now is 41.8 secs Computing kpt #: 97 total cpu time spent up to now is 42.2 secs Computing kpt #: 98 total cpu time spent up to now is 42.6 secs Computing kpt #: 99 total cpu time spent up to now is 42.9 secs Computing kpt #: 100 total cpu time spent up to now is 43.3 secs Computing kpt #: 101 total cpu time spent up to now is 43.7 secs Computing kpt #: 102 total cpu time spent up to now is 44.1 secs Computing kpt #: 103 total cpu time spent up to now is 44.5 secs Computing kpt #: 104 total cpu time spent up to now is 44.9 secs Computing kpt #: 105 total cpu time spent up to now is 45.3 secs Computing kpt #: 106 total cpu time spent up to now is 45.7 secs Computing kpt #: 107 total cpu time spent up to now is 46.2 secs Computing kpt #: 108 total cpu time spent up to now is 46.6 secs Computing kpt #: 109 total cpu time spent up to now is 47.0 secs Computing kpt #: 110 total cpu time spent up to now is 47.5 secs Computing kpt #: 111 total cpu time spent up to now is 47.9 secs Computing kpt #: 112 total cpu time spent up to now is 48.3 secs Computing kpt #: 113 total cpu time spent up to now is 48.8 secs Computing kpt #: 114 total cpu time spent up to now is 49.2 secs Computing kpt #: 115 total cpu time spent up to now is 49.7 secs Computing kpt #: 116 total cpu time spent up to now is 50.2 secs Computing kpt #: 117 total cpu time spent up to now is 50.6 secs Computing kpt #: 118 total cpu time spent up to now is 51.0 secs Computing kpt #: 119 total cpu time spent up to now is 51.6 secs Computing kpt #: 120 total cpu time spent up to now is 52.0 secs Computing kpt #: 121 total cpu time spent up to now is 52.5 secs Computing kpt #: 122 total cpu time spent up to now is 53.1 secs Computing kpt #: 123 total cpu time spent up to now is 53.7 secs Computing kpt #: 124 total cpu time spent up to now is 54.2 secs Computing kpt #: 125 total cpu time spent up to now is 54.9 secs Computing kpt #: 126 total cpu time spent up to now is 55.4 secs Computing kpt #: 127 total cpu time spent up to now is 56.0 secs Computing kpt #: 128 total cpu time spent up to now is 56.5 secs Computing kpt #: 129 total cpu time spent up to now is 56.9 secs Computing kpt #: 130 total cpu time spent up to now is 57.4 secs Computing kpt #: 131 total cpu time spent up to now is 57.8 secs Computing kpt #: 132 total cpu time spent up to now is 58.3 secs Computing kpt #: 133 total cpu time spent up to now is 58.7 secs Computing kpt #: 134 total cpu time spent up to now is 59.1 secs Computing kpt #: 135 total cpu time spent up to now is 59.6 secs Computing kpt #: 136 total cpu time spent up to now is 60.0 secs Computing kpt #: 137 total cpu time spent up to now is 60.4 secs Computing kpt #: 138 total cpu time spent up to now is 60.8 secs Computing kpt #: 139 total cpu time spent up to now is 61.2 secs Computing kpt #: 140 total cpu time spent up to now is 61.6 secs Computing kpt #: 141 total cpu time spent up to now is 62.0 secs Computing kpt #: 142 total cpu time spent up to now is 62.4 secs Computing kpt #: 143 total cpu time spent up to now is 62.8 secs Computing kpt #: 144 total cpu time spent up to now is 63.2 secs Computing kpt #: 145 total cpu time spent up to now is 63.6 secs Computing kpt #: 146 total cpu time spent up to now is 64.0 secs Computing kpt #: 147 total cpu time spent up to now is 64.4 secs Computing kpt #: 148 total cpu time spent up to now is 64.8 secs Computing kpt #: 149 total cpu time spent up to now is 65.2 secs Computing kpt #: 150 total cpu time spent up to now is 65.6 secs Computing kpt #: 151 total cpu time spent up to now is 65.9 secs Computing kpt #: 152 total cpu time spent up to now is 66.3 secs Computing kpt #: 153 total cpu time spent up to now is 66.7 secs Computing kpt #: 154 total cpu time spent up to now is 67.1 secs Computing kpt #: 155 total cpu time spent up to now is 67.5 secs Computing kpt #: 156 total cpu time spent up to now is 67.9 secs Computing kpt #: 157 total cpu time spent up to now is 68.3 secs Computing kpt #: 158 total cpu time spent up to now is 68.7 secs Computing kpt #: 159 total cpu time spent up to now is 69.1 secs Computing kpt #: 160 total cpu time spent up to now is 69.5 secs Computing kpt #: 161 total cpu time spent up to now is 69.9 secs Computing kpt #: 162 total cpu time spent up to now is 70.3 secs Computing kpt #: 163 total cpu time spent up to now is 70.8 secs Computing kpt #: 164 total cpu time spent up to now is 71.2 secs Computing kpt #: 165 total cpu time spent up to now is 71.6 secs Computing kpt #: 166 total cpu time spent up to now is 72.0 secs Computing kpt #: 167 total cpu time spent up to now is 72.4 secs Computing kpt #: 168 total cpu time spent up to now is 72.8 secs Computing kpt #: 169 total cpu time spent up to now is 73.3 secs Computing kpt #: 170 total cpu time spent up to now is 73.7 secs Computing kpt #: 171 total cpu time spent up to now is 74.1 secs Computing kpt #: 172 total cpu time spent up to now is 74.5 secs Computing kpt #: 173 total cpu time spent up to now is 74.9 secs Computing kpt #: 174 total cpu time spent up to now is 75.3 secs Computing kpt #: 175 total cpu time spent up to now is 75.8 secs Computing kpt #: 176 total cpu time spent up to now is 76.2 secs Computing kpt #: 177 total cpu time spent up to now is 76.7 secs Computing kpt #: 178 total cpu time spent up to now is 77.1 secs Computing kpt #: 179 total cpu time spent up to now is 77.5 secs Computing kpt #: 180 total cpu time spent up to now is 77.9 secs Computing kpt #: 181 total cpu time spent up to now is 78.4 secs Computing kpt #: 182 total cpu time spent up to now is 78.8 secs Computing kpt #: 183 total cpu time spent up to now is 79.2 secs Computing kpt #: 184 total cpu time spent up to now is 79.6 secs Computing kpt #: 185 total cpu time spent up to now is 80.1 secs Computing kpt #: 186 total cpu time spent up to now is 80.5 secs Computing kpt #: 187 total cpu time spent up to now is 80.9 secs Computing kpt #: 188 total cpu time spent up to now is 81.3 secs Computing kpt #: 189 total cpu time spent up to now is 81.8 secs Computing kpt #: 190 total cpu time spent up to now is 82.2 secs Computing kpt #: 191 total cpu time spent up to now is 82.6 secs Computing kpt #: 192 total cpu time spent up to now is 83.0 secs Computing kpt #: 193 total cpu time spent up to now is 83.4 secs Computing kpt #: 194 total cpu time spent up to now is 83.8 secs Computing kpt #: 195 total cpu time spent up to now is 84.2 secs Computing kpt #: 196 total cpu time spent up to now is 84.7 secs Computing kpt #: 197 total cpu time spent up to now is 85.1 secs Computing kpt #: 198 total cpu time spent up to now is 85.5 secs Computing kpt #: 199 total cpu time spent up to now is 85.9 secs Computing kpt #: 200 total cpu time spent up to now is 86.4 secs Computing kpt #: 201 total cpu time spent up to now is 86.8 secs Computing kpt #: 202 total cpu time spent up to now is 87.2 secs Computing kpt #: 203 total cpu time spent up to now is 87.6 secs Computing kpt #: 204 total cpu time spent up to now is 88.0 secs Computing kpt #: 205 total cpu time spent up to now is 88.5 secs Computing kpt #: 206 total cpu time spent up to now is 89.0 secs Computing kpt #: 207 total cpu time spent up to now is 89.6 secs Computing kpt #: 208 total cpu time spent up to now is 90.1 secs Computing kpt #: 209 total cpu time spent up to now is 90.6 secs Computing kpt #: 210 total cpu time spent up to now is 91.0 secs Computing kpt #: 211 total cpu time spent up to now is 91.4 secs Computing kpt #: 212 total cpu time spent up to now is 91.8 secs Computing kpt #: 213 total cpu time spent up to now is 92.3 secs Computing kpt #: 214 total cpu time spent up to now is 92.8 secs Computing kpt #: 215 total cpu time spent up to now is 93.2 secs Computing kpt #: 216 total cpu time spent up to now is 93.6 secs Computing kpt #: 217 total cpu time spent up to now is 94.0 secs Computing kpt #: 218 total cpu time spent up to now is 94.4 secs Computing kpt #: 219 total cpu time spent up to now is 94.8 secs Computing kpt #: 220 total cpu time spent up to now is 95.5 secs Computing kpt #: 221 total cpu time spent up to now is 95.9 secs Computing kpt #: 222 total cpu time spent up to now is 96.3 secs Computing kpt #: 223 total cpu time spent up to now is 96.7 secs Computing kpt #: 224 total cpu time spent up to now is 97.1 secs Computing kpt #: 225 total cpu time spent up to now is 97.5 secs Computing kpt #: 226 total cpu time spent up to now is 97.9 secs Computing kpt #: 227 total cpu time spent up to now is 98.3 secs Computing kpt #: 228 total cpu time spent up to now is 98.7 secs Computing kpt #: 229 total cpu time spent up to now is 99.1 secs Computing kpt #: 230 total cpu time spent up to now is 99.5 secs Computing kpt #: 231 total cpu time spent up to now is 99.9 secs Computing kpt #: 232 total cpu time spent up to now is 100.3 secs Computing kpt #: 233 total cpu time spent up to now is 100.8 secs Computing kpt #: 234 total cpu time spent up to now is 101.2 secs Computing kpt #: 235 total cpu time spent up to now is 101.6 secs Computing kpt #: 236 total cpu time spent up to now is 102.0 secs Computing kpt #: 237 total cpu time spent up to now is 102.4 secs Computing kpt #: 238 total cpu time spent up to now is 102.8 secs Computing kpt #: 239 total cpu time spent up to now is 103.1 secs Computing kpt #: 240 total cpu time spent up to now is 103.5 secs Computing kpt #: 241 total cpu time spent up to now is 104.0 secs Computing kpt #: 242 total cpu time spent up to now is 104.4 secs Computing kpt #: 243 total cpu time spent up to now is 104.8 secs Computing kpt #: 244 total cpu time spent up to now is 105.2 secs Computing kpt #: 245 total cpu time spent up to now is 105.6 secs Computing kpt #: 246 total cpu time spent up to now is 106.1 secs Computing kpt #: 247 total cpu time spent up to now is 106.5 secs Computing kpt #: 248 total cpu time spent up to now is 107.0 secs Computing kpt #: 249 total cpu time spent up to now is 107.4 secs Computing kpt #: 250 total cpu time spent up to now is 107.8 secs Computing kpt #: 251 total cpu time spent up to now is 108.2 secs Computing kpt #: 252 total cpu time spent up to now is 108.6 secs Computing kpt #: 253 total cpu time spent up to now is 109.1 secs Computing kpt #: 254 total cpu time spent up to now is 109.5 secs Computing kpt #: 255 total cpu time spent up to now is 109.9 secs Computing kpt #: 256 total cpu time spent up to now is 110.4 secs Computing kpt #: 257 total cpu time spent up to now is 110.9 secs Computing kpt #: 258 total cpu time spent up to now is 111.3 secs Computing kpt #: 259 total cpu time spent up to now is 111.8 secs Computing kpt #: 260 total cpu time spent up to now is 112.2 secs Computing kpt #: 261 total cpu time spent up to now is 112.7 secs Computing kpt #: 262 total cpu time spent up to now is 113.2 secs Computing kpt #: 263 total cpu time spent up to now is 113.6 secs Computing kpt #: 264 total cpu time spent up to now is 114.1 secs Computing kpt #: 265 total cpu time spent up to now is 114.6 secs Computing kpt #: 266 total cpu time spent up to now is 115.1 secs Computing kpt #: 267 total cpu time spent up to now is 115.6 secs Computing kpt #: 268 total cpu time spent up to now is 116.0 secs Computing kpt #: 269 total cpu time spent up to now is 116.5 secs Computing kpt #: 270 total cpu time spent up to now is 117.1 secs Computing kpt #: 271 total cpu time spent up to now is 117.6 secs Computing kpt #: 272 total cpu time spent up to now is 118.0 secs Computing kpt #: 273 total cpu time spent up to now is 118.6 secs Computing kpt #: 274 total cpu time spent up to now is 119.2 secs Computing kpt #: 275 total cpu time spent up to now is 119.7 secs Computing kpt #: 276 total cpu time spent up to now is 120.3 secs Computing kpt #: 277 total cpu time spent up to now is 120.8 secs Computing kpt #: 278 total cpu time spent up to now is 121.3 secs Computing kpt #: 279 total cpu time spent up to now is 121.8 secs Computing kpt #: 280 total cpu time spent up to now is 122.2 secs Computing kpt #: 281 total cpu time spent up to now is 122.6 secs Computing kpt #: 282 total cpu time spent up to now is 123.1 secs Computing kpt #: 283 total cpu time spent up to now is 123.6 secs Computing kpt #: 284 total cpu time spent up to now is 124.0 secs Computing kpt #: 285 total cpu time spent up to now is 124.4 secs Computing kpt #: 286 total cpu time spent up to now is 124.8 secs Computing kpt #: 287 total cpu time spent up to now is 125.2 secs Computing kpt #: 288 total cpu time spent up to now is 125.6 secs Computing kpt #: 289 total cpu time spent up to now is 126.1 secs Computing kpt #: 290 total cpu time spent up to now is 126.5 secs Computing kpt #: 291 total cpu time spent up to now is 126.9 secs Computing kpt #: 292 total cpu time spent up to now is 127.3 secs Computing kpt #: 293 total cpu time spent up to now is 127.8 secs Computing kpt #: 294 total cpu time spent up to now is 128.3 secs Computing kpt #: 295 total cpu time spent up to now is 128.8 secs Computing kpt #: 296 total cpu time spent up to now is 129.3 secs Computing kpt #: 297 total cpu time spent up to now is 129.9 secs Computing kpt #: 298 total cpu time spent up to now is 130.4 secs Computing kpt #: 299 total cpu time spent up to now is 130.8 secs Computing kpt #: 300 total cpu time spent up to now is 131.2 secs Computing kpt #: 301 total cpu time spent up to now is 131.7 secs Computing kpt #: 302 total cpu time spent up to now is 132.1 secs Computing kpt #: 303 total cpu time spent up to now is 132.5 secs Computing kpt #: 304 total cpu time spent up to now is 133.0 secs Computing kpt #: 305 total cpu time spent up to now is 133.4 secs Computing kpt #: 306 total cpu time spent up to now is 133.8 secs Computing kpt #: 307 total cpu time spent up to now is 134.2 secs Computing kpt #: 308 total cpu time spent up to now is 134.6 secs Computing kpt #: 309 total cpu time spent up to now is 135.1 secs Computing kpt #: 310 total cpu time spent up to now is 135.5 secs Computing kpt #: 311 total cpu time spent up to now is 135.9 secs Computing kpt #: 312 total cpu time spent up to now is 136.3 secs Computing kpt #: 313 total cpu time spent up to now is 136.8 secs Computing kpt #: 314 total cpu time spent up to now is 137.2 secs Computing kpt #: 315 total cpu time spent up to now is 137.5 secs Computing kpt #: 316 total cpu time spent up to now is 137.9 secs Computing kpt #: 317 total cpu time spent up to now is 138.3 secs Computing kpt #: 318 total cpu time spent up to now is 138.7 secs Computing kpt #: 319 total cpu time spent up to now is 139.1 secs Computing kpt #: 320 total cpu time spent up to now is 139.5 secs Computing kpt #: 321 total cpu time spent up to now is 139.9 secs Computing kpt #: 322 total cpu time spent up to now is 140.3 secs Computing kpt #: 323 total cpu time spent up to now is 140.7 secs Computing kpt #: 324 total cpu time spent up to now is 141.2 secs Computing kpt #: 325 total cpu time spent up to now is 141.5 secs Computing kpt #: 326 total cpu time spent up to now is 141.9 secs Computing kpt #: 327 total cpu time spent up to now is 142.3 secs Computing kpt #: 328 total cpu time spent up to now is 142.7 secs Computing kpt #: 329 total cpu time spent up to now is 143.1 secs Computing kpt #: 330 total cpu time spent up to now is 143.5 secs Computing kpt #: 331 total cpu time spent up to now is 143.9 secs Computing kpt #: 332 total cpu time spent up to now is 144.2 secs Computing kpt #: 333 total cpu time spent up to now is 144.7 secs Computing kpt #: 334 total cpu time spent up to now is 145.1 secs Computing kpt #: 335 total cpu time spent up to now is 145.5 secs Computing kpt #: 336 total cpu time spent up to now is 145.9 secs Computing kpt #: 337 total cpu time spent up to now is 146.2 secs ethr = 3.33E-08, avg # of iterations = 14.8 total cpu time spent up to now is 146.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4909 PWs) bands (ev): -67.3733 -67.3733 -37.1488 -37.1488 -35.9457 -35.9457 -35.9457 -35.9457 0.0247 0.0247 7.0650 7.0650 7.0650 7.0650 7.9374 7.9374 8.0580 8.0580 8.0580 8.0580 8.6395 8.6395 8.9017 8.9017 8.9017 8.9017 11.3112 11.3112 11.3112 11.3112 11.5594 11.5594 13.5216 13.5216 13.9544 13.9544 13.9544 13.9544 k = 0.0098-0.0057 0.0080 ( 4909 PWs) bands (ev): -67.3733 -67.3733 -37.1488 -37.1488 -35.9457 -35.9457 -35.9457 -35.9457 0.0260 0.0260 7.0583 7.0583 7.0705 7.0705 7.9323 7.9323 8.0449 8.0449 8.0735 8.0735 8.6392 8.6392 8.8932 8.8932 8.9082 8.9082 11.3081 11.3081 11.3136 11.3136 11.5643 11.5643 13.5220 13.5220 13.9524 13.9524 13.9565 13.9565 k = 0.0196-0.0113 0.0160 ( 4917 PWs) bands (ev): -67.3740 -67.3740 -37.1488 -37.1488 -35.9458 -35.9458 -35.9457 -35.9457 0.0299 0.0299 7.0501 7.0501 7.0750 7.0750 7.9170 7.9170 8.0356 8.0356 8.0894 8.0894 8.6378 8.6378 8.8814 8.8814 8.9117 8.9117 11.3039 11.3039 11.3149 11.3149 11.5788 11.5788 13.5202 13.5202 13.9446 13.9446 13.9599 13.9599 k = 0.0294-0.0170 0.0240 ( 4925 PWs) bands (ev): -67.3748 -67.3748 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.0365 0.0365 7.0401 7.0401 7.0787 7.0787 7.8934 7.8934 8.0305 8.0305 8.1043 8.1043 8.6358 8.6358 8.8680 8.8680 8.9135 8.9135 11.2986 11.2986 11.3155 11.3155 11.6024 11.6024 13.5185 13.5185 13.9337 13.9337 13.9671 13.9671 k = 0.0392-0.0226 0.0320 ( 4933 PWs) bands (ev): -67.3756 -67.3756 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.0458 0.0458 7.0278 7.0278 7.0818 7.0818 7.8635 7.8635 8.0289 8.0289 8.1176 8.1176 8.6335 8.6335 8.8532 8.8532 8.9143 8.9143 11.2927 11.2927 11.3150 11.3150 11.6339 11.6339 13.5165 13.5165 13.9209 13.9209 13.9772 13.9772 k = 0.0490-0.0283 0.0400 ( 4925 PWs) bands (ev): -67.3748 -67.3748 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.0577 0.0577 7.0133 7.0133 7.0846 7.0846 7.8305 7.8305 8.0303 8.0303 8.1293 8.1293 8.6319 8.6319 8.8394 8.8394 8.9159 8.9159 11.2890 11.2890 11.3209 11.3209 11.6726 11.6726 13.5163 13.5163 13.9068 13.9068 13.9962 13.9962 k = 0.0588-0.0340 0.0480 ( 4917 PWs) bands (ev): -67.3740 -67.3740 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.0721 0.0721 6.9955 6.9955 7.0869 7.0869 7.7948 7.7948 8.0338 8.0338 8.1387 8.1387 8.6307 8.6307 8.8260 8.8260 8.9172 8.9172 11.2826 11.2826 11.3219 11.3219 11.7171 11.7171 13.5151 13.5151 13.8908 13.8908 14.0213 14.0213 k = 0.0686-0.0396 0.0560 ( 4913 PWs) bands (ev): -67.3736 -67.3736 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.0892 0.0892 6.9739 6.9739 7.0888 7.0888 7.7575 7.7575 8.0382 8.0382 8.1455 8.1455 8.6297 8.6297 8.8121 8.8121 8.9172 8.9172 11.2751 11.2751 11.3216 11.3216 11.7654 11.7654 13.5088 13.5088 13.8691 13.8691 14.0518 14.0518 k = 0.0784-0.0453 0.0640 ( 4905 PWs) bands (ev): -67.3728 -67.3728 -37.1489 -37.1489 -35.9458 -35.9458 -35.9457 -35.9457 0.1087 0.1087 6.9479 6.9479 7.0904 7.0904 7.7205 7.7205 8.0442 8.0442 8.1502 8.1502 8.6296 8.6296 8.7996 8.7996 8.9176 8.9176 11.2664 11.2664 11.3187 11.3187 11.8162 11.8162 13.5003 13.5003 13.8456 13.8456 14.0888 14.0888 k = 0.0882-0.0509 0.0720 ( 4905 PWs) bands (ev): -67.3728 -67.3728 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.1307 0.1307 6.9170 6.9170 7.0917 7.0917 7.6842 7.6842 8.0506 8.0506 8.1526 8.1526 8.6295 8.6295 8.7870 8.7870 8.9162 8.9162 11.2561 11.2561 11.3129 11.3129 11.8677 11.8677 13.4838 13.4838 13.8151 13.8151 14.1301 14.1301 k = 0.0980-0.0566 0.0800 ( 4901 PWs) bands (ev): -67.3724 -67.3724 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.1551 0.1551 6.8808 6.8808 7.0927 7.0927 7.6503 7.6503 8.0582 8.0582 8.1535 8.1535 8.6302 8.6302 8.7758 8.7758 8.9149 8.9149 11.2478 11.2478 11.3068 11.3068 11.9186 11.9186 13.4627 13.4627 13.7812 13.7812 14.1750 14.1750 k = 0.1078-0.0623 0.0881 ( 4901 PWs) bands (ev): -67.3724 -67.3724 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.1819 0.1819 6.8392 6.8392 7.0934 7.0934 7.6196 7.6196 8.0661 8.0661 8.1527 8.1527 8.6312 8.6312 8.7658 8.7658 8.9131 8.9131 11.2355 11.2355 11.2987 11.2987 11.9678 11.9678 13.4350 13.4350 13.7423 13.7423 14.2212 14.2212 k = 0.1176-0.0679 0.0961 ( 4897 PWs) bands (ev): -67.3720 -67.3720 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.2110 0.2110 6.7924 6.7924 7.0938 7.0938 7.5924 7.5924 8.0748 8.0748 8.1511 8.1511 8.6324 8.6324 8.7576 8.7576 8.9114 8.9114 11.2249 11.2249 11.2932 11.2932 12.0134 12.0134 13.4020 13.4020 13.6996 13.6996 14.2645 14.2645 k = 0.1275-0.0736 0.1041 ( 4897 PWs) bands (ev): -67.3720 -67.3720 -37.1489 -37.1489 -35.9459 -35.9459 -35.9458 -35.9458 0.2423 0.2423 6.7407 6.7407 7.0938 7.0938 7.5694 7.5694 8.0836 8.0836 8.1490 8.1490 8.6331 8.6331 8.7513 8.7513 8.9094 8.9094 11.2107 11.2107 11.2825 11.2825 12.0567 12.0567 13.3629 13.3629 13.6522 13.6522 14.3022 14.3022 k = 0.1373-0.0792 0.1121 ( 4897 PWs) bands (ev): -67.3720 -67.3720 -37.1489 -37.1489 -35.9459 -35.9459 -35.9459 -35.9459 0.2757 0.2757 6.6847 6.6847 7.0935 7.0935 7.5504 7.5504 8.0920 8.0920 8.1474 8.1474 8.6330 8.6330 8.7475 8.7475 8.9075 8.9075 11.1957 11.1957 11.2705 11.2705 12.0963 12.0963 13.3182 13.3182 13.6006 13.6006 14.3283 14.3283 k = 0.1471-0.0849 0.1201 ( 4897 PWs) bands (ev): -67.3719 -67.3719 -37.1489 -37.1489 -35.9459 -35.9459 -35.9459 -35.9459 0.3112 0.3112 6.6252 6.6252 7.0929 7.0929 7.5353 7.5353 8.0995 8.0995 8.1474 8.1474 8.6319 8.6319 8.7462 8.7462 8.9061 8.9061 11.1791 11.1791 11.2549 11.2549 12.1318 12.1318 13.2695 13.2695 13.5461 13.5461 14.3376 14.3376 k = 0.1569-0.0906 0.1281 ( 4897 PWs) bands (ev): -67.3719 -67.3719 -37.1489 -37.1489 -35.9460 -35.9460 -35.9459 -35.9459 0.3487 0.3487 6.5633 6.5633 7.0918 7.0918 7.5238 7.5238 8.1041 8.1041 8.1507 8.1507 8.6291 8.6291 8.7473 8.7473 8.9045 8.9045 11.1621 11.1621 11.2400 11.2400 12.1632 12.1632 13.2146 13.2146 13.4866 13.4866 14.3258 14.3258 k = 0.1667-0.0962 0.1361 ( 4897 PWs) bands (ev): -67.3719 -67.3719 -37.1490 -37.1490 -35.9460 -35.9460 -35.9459 -35.9459 0.3880 0.3880 6.4998 6.4998 7.0903 7.0903 7.5154 7.5154 8.1054 8.1054 8.1580 8.1580 8.6249 8.6249 8.7507 8.7507 8.9031 8.9031 11.1441 11.1441 11.2236 11.2236 12.1903 12.1903 13.1552 13.1552 13.4235 13.4235 14.2903 14.2903 k = 0.1765-0.1019 0.1441 ( 4897 PWs) bands (ev): -67.3719 -67.3719 -37.1490 -37.1490 -35.9460 -35.9460 -35.9459 -35.9459 0.4290 0.4290 6.4356 6.4356 7.0884 7.0884 7.5098 7.5098 8.1044 8.1044 8.1688 8.1688 8.6195 8.6195 8.7560 8.7560 8.9021 8.9021 11.1251 11.1251 11.2055 11.2055 12.2129 12.2129 13.0918 13.0918 13.3570 13.3570 14.2312 14.2312 k = 0.1863-0.1075 0.1521 ( 4885 PWs) bands (ev): -67.3706 -67.3706 -37.1490 -37.1490 -35.9461 -35.9461 -35.9459 -35.9459 0.4717 0.4717 6.3718 6.3718 7.0862 7.0862 7.5069 7.5069 8.1024 8.1024 8.1828 8.1828 8.6138 8.6138 8.7637 8.7637 8.9023 8.9023 11.1098 11.1098 11.1878 11.1878 12.2356 12.2356 13.0265 13.0265 13.2889 13.2889 14.1511 14.1511 k = 0.1961-0.1132 0.1601 ( 4869 PWs) bands (ev): -67.3690 -67.3690 -37.1490 -37.1490 -35.9461 -35.9461 -35.9458 -35.9458 0.5159 0.5159 6.3092 6.3092 7.0834 7.0834 7.5062 7.5062 8.1001 8.1001 8.1981 8.1981 8.6077 8.6077 8.7730 8.7730 8.9036 8.9036 11.0917 11.0917 11.1702 11.1702 12.2562 12.2562 12.9586 12.9586 13.2183 13.2183 14.0546 14.0546 k = 0.2059-0.1189 0.1681 ( 4873 PWs) bands (ev): -67.3693 -67.3693 -37.1490 -37.1490 -35.9462 -35.9462 -35.9459 -35.9459 0.5613 0.5613 6.2473 6.2473 7.0801 7.0801 7.5070 7.5070 8.0975 8.0975 8.2140 8.2140 8.6001 8.6001 8.7807 8.7807 8.9033 8.9033 11.0662 11.0662 11.1457 11.1457 12.2642 12.2642 12.8853 12.8853 13.1427 13.1427 13.9455 13.9455 k = 0.2157-0.1245 0.1761 ( 4865 PWs) bands (ev): -67.3685 -67.3685 -37.1490 -37.1490 -35.9462 -35.9462 -35.9458 -35.9458 0.6079 0.6079 6.1879 6.1879 7.0763 7.0763 7.5096 7.5096 8.0956 8.0956 8.2312 8.2312 8.5935 8.5935 8.7902 8.7902 8.9048 8.9048 11.0401 11.0401 11.1219 11.1219 12.2699 12.2699 12.8134 12.8134 13.0678 13.0678 13.8298 13.8298 k = 0.2255-0.1302 0.1841 ( 4865 PWs) bands (ev): -67.3685 -67.3685 -37.1490 -37.1490 -35.9462 -35.9462 -35.9459 -35.9459 0.6554 0.6554 6.1308 6.1308 7.0720 7.0720 7.5134 7.5134 8.0940 8.0940 8.2491 8.2491 8.5860 8.5860 8.7986 8.7986 8.9056 8.9056 11.0105 11.0105 11.0966 11.0966 12.2662 12.2662 12.7378 12.7378 12.9888 12.9888 13.7115 13.7115 k = 0.2353-0.1358 0.1921 ( 4865 PWs) bands (ev): -67.3684 -67.3684 -37.1490 -37.1490 -35.9463 -35.9463 -35.9459 -35.9459 0.7037 0.7037 6.0771 6.0771 7.0672 7.0672 7.5184 7.5184 8.0931 8.0931 8.2674 8.2674 8.5779 8.5779 8.8066 8.8066 8.9067 8.9067 10.9789 10.9789 11.0703 11.0703 12.2568 12.2568 12.6601 12.6601 12.9070 12.9070 13.5957 13.5957 k = 0.2451-0.1415 0.2001 ( 4865 PWs) bands (ev): -67.3684 -67.3684 -37.1491 -37.1491 -35.9463 -35.9463 -35.9459 -35.9459 0.7527 0.7527 6.0267 6.0267 7.0619 7.0619 7.5245 7.5245 8.0929 8.0929 8.2866 8.2866 8.5706 8.5706 8.8147 8.8147 8.9076 8.9076 10.9402 10.9402 11.0440 11.0440 12.2386 12.2386 12.5838 12.5838 12.8253 12.8253 13.4846 13.4846 k = 0.2549-0.1472 0.2081 ( 4865 PWs) bands (ev): -67.3683 -67.3683 -37.1491 -37.1491 -35.9464 -35.9464 -35.9459 -35.9459 0.8020 0.8020 5.9803 5.9803 7.0563 7.0563 7.5316 7.5316 8.0935 8.0935 8.3064 8.3064 8.5635 8.5635 8.8226 8.8226 8.9083 8.9083 10.8953 10.8953 11.0182 11.0182 12.2122 12.2122 12.5080 12.5080 12.7428 12.7428 13.3821 13.3821 k = 0.2647-0.1528 0.2161 ( 4857 PWs) bands (ev): -67.3675 -67.3675 -37.1491 -37.1491 -35.9464 -35.9464 -35.9459 -35.9459 0.8515 0.8515 5.9384 5.9384 7.0503 7.0503 7.5395 7.5395 8.0949 8.0949 8.3269 8.3269 8.5576 8.5576 8.8316 8.8316 8.9089 8.9089 10.8461 10.8461 10.9935 10.9935 12.1793 12.1793 12.4351 12.4351 12.6617 12.6617 13.2912 13.2912 k = 0.2745-0.1585 0.2241 ( 4857 PWs) bands (ev): -67.3674 -67.3674 -37.1491 -37.1491 -35.9464 -35.9464 -35.9460 -35.9460 0.9010 0.9010 5.9008 5.9008 7.0439 7.0439 7.5480 7.5480 8.0968 8.0968 8.3478 8.3478 8.5517 8.5517 8.8399 8.8399 8.9074 8.9074 10.7845 10.7845 10.9697 10.9697 12.1360 12.1360 12.3620 12.3620 12.5797 12.5797 13.2124 13.2124 k = 0.2843-0.1641 0.2321 ( 4881 PWs) bands (ev): -67.3697 -67.3697 -37.1492 -37.1492 -35.9466 -35.9466 -35.9460 -35.9460 0.9502 0.9502 5.8680 5.8680 7.0371 7.0371 7.5568 7.5568 8.0990 8.0990 8.3677 8.3677 8.5423 8.5423 8.8433 8.8433 8.9032 8.9032 10.7181 10.7181 10.9399 10.9399 12.0864 12.0864 12.2790 12.2790 12.4881 12.4881 13.1456 13.1456 k = 0.2941-0.1698 0.2401 ( 4877 PWs) bands (ev): -67.3693 -67.3693 -37.1492 -37.1492 -35.9466 -35.9466 -35.9461 -35.9461 0.9988 0.9988 5.8409 5.8409 7.0303 7.0303 7.5663 7.5663 8.1023 8.1023 8.3889 8.3889 8.5368 8.5368 8.8512 8.8512 8.8985 8.8985 10.6482 10.6482 10.9164 10.9164 12.0381 12.0381 12.2049 12.2049 12.4050 12.4050 13.0930 13.0930 k = 0.3039-0.1755 0.2482 ( 4885 PWs) bands (ev): -67.3701 -67.3701 -37.1492 -37.1492 -35.9467 -35.9467 -35.9461 -35.9461 1.0468 1.0468 5.8187 5.8187 7.0231 7.0231 7.5760 7.5760 8.1058 8.1058 8.4103 8.4103 8.5317 8.5317 8.8589 8.8589 8.8891 8.8891 10.5669 10.5669 10.8932 10.8932 11.9807 11.9807 12.1301 12.1301 12.3220 12.3220 13.0507 13.0507 k = 0.3137-0.1811 0.2562 ( 4897 PWs) bands (ev): -67.3713 -67.3713 -37.1493 -37.1493 -35.9468 -35.9468 -35.9461 -35.9461 1.0937 1.0937 5.8023 5.8023 7.0159 7.0159 7.5859 7.5859 8.1097 8.1097 8.4313 8.4313 8.5257 8.5257 8.8649 8.8649 8.8763 8.8763 10.4837 10.4837 10.8699 10.8699 11.9261 11.9261 12.0525 12.0525 12.2363 12.2363 13.0179 13.0179 k = 0.3235-0.1868 0.2642 ( 4897 PWs) bands (ev): -67.3713 -67.3713 -37.1493 -37.1493 -35.9468 -35.9468 -35.9461 -35.9461 1.1394 1.1394 5.7918 5.7918 7.0087 7.0087 7.5960 7.5960 8.1141 8.1141 8.4526 8.4526 8.5220 8.5220 8.8580 8.8580 8.8748 8.8748 10.3991 10.3991 10.8478 10.8478 11.8759 11.8759 11.9803 11.9803 12.1559 12.1559 12.9938 12.9938 k = 0.3333-0.1925 0.2722 ( 4877 PWs) bands (ev): -67.3693 -67.3693 -37.1493 -37.1493 -35.9468 -35.9468 -35.9461 -35.9461 1.1837 1.1837 5.7878 5.7878 7.0018 7.0018 7.6062 7.6062 8.1191 8.1191 8.4739 8.4739 8.5200 8.5200 8.8366 8.8366 8.8851 8.8851 10.3159 10.3159 10.8329 10.8329 11.8362 11.8362 11.9148 11.9148 12.0797 12.0797 12.9777 12.9777 k = 0.3431-0.1981 0.2802 ( 4885 PWs) bands (ev): -67.3700 -67.3700 -37.1493 -37.1493 -35.9468 -35.9468 -35.9461 -35.9461 1.2263 1.2263 5.7890 5.7890 6.9948 6.9948 7.6160 7.6160 8.1237 8.1237 8.4935 8.4935 8.5177 8.5177 8.8057 8.8057 8.8936 8.8936 10.2307 10.2307 10.8117 10.8117 11.7856 11.7856 11.8480 11.8480 12.0005 12.0005 12.9641 12.9641 k = 0.3529-0.2038 0.2882 ( 4884 PWs) bands (ev): -67.3699 -67.3699 -37.1493 -37.1493 -35.9469 -35.9469 -35.9461 -35.9461 1.2671 1.2671 5.7965 5.7965 6.9881 6.9881 7.6256 7.6256 8.1285 8.1285 8.5071 8.5071 8.5224 8.5224 8.7676 8.7676 8.9038 8.9038 10.1502 10.1502 10.7913 10.7913 11.7357 11.7357 11.7932 11.7932 11.9258 11.9258 12.9548 12.9548 k = 0.3627-0.2094 0.2962 ( 4884 PWs) bands (ev): -67.3699 -67.3699 -37.1493 -37.1493 -35.9469 -35.9469 -35.9462 -35.9462 1.3058 1.3058 5.8099 5.8099 6.9817 6.9817 7.6348 7.6348 8.1332 8.1332 8.5093 8.5093 8.5384 8.5384 8.7209 8.7209 8.9143 8.9143 10.0754 10.0754 10.7716 10.7716 11.6804 11.6804 11.7491 11.7491 11.8536 11.8536 12.9484 12.9484 k = 0.3725-0.2151 0.3042 ( 4876 PWs) bands (ev): -67.3691 -67.3691 -37.1493 -37.1493 -35.9469 -35.9469 -35.9462 -35.9462 1.3423 1.3423 5.8292 5.8292 6.9757 6.9757 7.6437 7.6437 8.1379 8.1379 8.5098 8.5098 8.5562 8.5562 8.6665 8.6665 8.9262 8.9262 10.0082 10.0082 10.7529 10.7529 11.6262 11.6262 11.7138 11.7138 11.7875 11.7875 12.9466 12.9466 k = 0.3824-0.2208 0.3122 ( 4876 PWs) bands (ev): -67.3691 -67.3691 -37.1493 -37.1493 -35.9469 -35.9469 -35.9462 -35.9462 1.3763 1.3763 5.8539 5.8539 6.9701 6.9701 7.6516 7.6516 8.1423 8.1423 8.5099 8.5099 8.5670 8.5670 8.6088 8.6088 8.9379 8.9379 9.9494 9.9494 10.7319 10.7319 11.5726 11.5726 11.6828 11.6828 11.7249 11.7249 12.9398 12.9398 k = 0.3922-0.2264 0.3202 ( 4876 PWs) bands (ev): -67.3691 -67.3691 -37.1494 -37.1494 -35.9470 -35.9470 -35.9462 -35.9462 1.4080 1.4080 5.8837 5.8837 6.9652 6.9652 7.6584 7.6584 8.1462 8.1462 8.5059 8.5059 8.5243 8.5243 8.6006 8.6006 8.9489 8.9489 9.8991 9.8991 10.7147 10.7147 11.5190 11.5190 11.6484 11.6484 11.6705 11.6705 12.9389 12.9389 k = 0.4020-0.2321 0.3282 ( 4888 PWs) bands (ev): -67.3702 -67.3702 -37.1494 -37.1494 -35.9470 -35.9470 -35.9462 -35.9462 1.4370 1.4370 5.9179 5.9179 6.9611 6.9611 7.6632 7.6632 8.1491 8.1491 8.4414 8.4414 8.5112 8.5112 8.6146 8.6146 8.9583 8.9583 9.8569 9.8569 10.7009 10.7009 11.4622 11.4622 11.5906 11.5906 11.6402 11.6402 12.9362 12.9362 k = 0.4118-0.2377 0.3362 ( 4880 PWs) bands (ev): -67.3695 -67.3695 -37.1494 -37.1494 -35.9470 -35.9470 -35.9462 -35.9462 1.4634 1.4634 5.9566 5.9566 6.9580 6.9580 7.6670 7.6670 8.1518 8.1518 8.3612 8.3612 8.5119 8.5119 8.6299 8.6299 8.9696 8.9696 9.8232 9.8232 10.6878 10.6878 11.4180 11.4180 11.5383 11.5383 11.6208 11.6208 12.9397 12.9397 k = 0.4216-0.2434 0.3442 ( 4884 PWs) bands (ev): -67.3699 -67.3699 -37.1494 -37.1494 -35.9471 -35.9471 -35.9462 -35.9462 1.4870 1.4870 5.9980 5.9980 6.9557 6.9557 7.6682 7.6682 8.1524 8.1524 8.2792 8.2792 8.5127 8.5127 8.6442 8.6442 8.9799 8.9799 9.7962 9.7962 10.6743 10.6743 11.3752 11.3752 11.4871 11.4871 11.5999 11.5999 12.9402 12.9402 k = 0.4314-0.2491 0.3522 ( 4876 PWs) bands (ev): -67.3691 -67.3691 -37.1494 -37.1494 -35.9471 -35.9471 -35.9462 -35.9462 1.5079 1.5079 6.0417 6.0417 6.9547 6.9547 7.6665 7.6665 8.1457 8.1457 8.2072 8.2072 8.5142 8.5142 8.6575 8.6575 8.9900 8.9900 9.7754 9.7754 10.6652 10.6652 11.3393 11.3393 11.4428 11.4428 11.5865 11.5865 12.9440 12.9440 k = 0.4412-0.2547 0.3602 ( 4876 PWs) bands (ev): -67.3690 -67.3690 -37.1494 -37.1494 -35.9471 -35.9471 -35.9462 -35.9462 1.5260 1.5260 6.0860 6.0860 6.9550 6.9550 7.6605 7.6605 8.1026 8.1026 8.1755 8.1755 8.5155 8.5155 8.6692 8.6692 8.9989 8.9989 9.7592 9.7592 10.6545 10.6545 11.3063 11.3063 11.4016 11.4016 11.5746 11.5746 12.9449 12.9449 k = 0.4510-0.2604 0.3682 ( 4868 PWs) bands (ev): -67.3682 -67.3682 -37.1494 -37.1494 -35.9471 -35.9471 -35.9462 -35.9462 1.5413 1.5413 6.1293 6.1293 6.9565 6.9565 7.6498 7.6498 8.0411 8.0411 8.1718 8.1718 8.5171 8.5171 8.6794 8.6794 9.0072 9.0072 9.7473 9.7473 10.6474 10.6474 11.2810 11.2810 11.3687 11.3687 11.5649 11.5649 12.9482 12.9482 k = 0.4608-0.2660 0.3762 ( 4856 PWs) bands (ev): -67.3670 -67.3670 -37.1494 -37.1494 -35.9471 -35.9471 -35.9462 -35.9462 1.5538 1.5538 6.1699 6.1699 6.9595 6.9595 7.6337 7.6337 7.9869 7.9869 8.1722 8.1722 8.5187 8.5187 8.6880 8.6880 9.0144 9.0144 9.7385 9.7385 10.6417 10.6417 11.2618 11.2618 11.3426 11.3426 11.5645 11.5645 12.9469 12.9469 k = 0.4706-0.2717 0.3842 ( 4864 PWs) bands (ev): -67.3679 -67.3679 -37.1494 -37.1494 -35.9471 -35.9471 -35.9462 -35.9462 1.5635 1.5635 6.2043 6.2043 6.9629 6.9629 7.6130 7.6130 7.9462 7.9462 8.1723 8.1723 8.5194 8.5194 8.6946 8.6946 9.0195 9.0195 9.7320 9.7320 10.6357 10.6357 11.2416 11.2416 11.3167 11.3167 11.5529 11.5529 12.9474 12.9474 k = 0.4804-0.2774 0.3922 ( 4872 PWs) bands (ev): -67.3687 -67.3687 -37.1494 -37.1494 -35.9471 -35.9471 -35.9462 -35.9462 1.5704 1.5704 6.2313 6.2313 6.9666 6.9666 7.5922 7.5922 7.9190 7.9190 8.1723 8.1723 8.5198 8.5198 8.6994 8.6994 9.0230 9.0230 9.7276 9.7276 10.6284 10.6284 11.2255 11.2255 11.2961 11.2961 11.5485 11.5485 12.9472 12.9472 k = 0.4902-0.2830 0.4002 ( 4880 PWs) bands (ev): -67.3695 -67.3695 -37.1494 -37.1494 -35.9472 -35.9472 -35.9462 -35.9462 1.5746 1.5746 6.2483 6.2483 6.9693 6.9693 7.5766 7.5766 7.9040 7.9040 8.1722 8.1722 8.5199 8.5199 8.7022 8.7022 9.0251 9.0251 9.7250 9.7250 10.6250 10.6250 11.2148 11.2148 11.2826 11.2826 11.5425 11.5425 12.9475 12.9475 k = 0.5000-0.2887 0.4082 ( 4880 PWs) bands (ev): -67.3695 -67.3695 -37.1494 -37.1494 -35.9472 -35.9472 -35.9462 -35.9462 1.5760 1.5760 6.2542 6.2542 6.9704 6.9704 7.5709 7.5709 7.8992 7.8992 8.1723 8.1723 8.5201 8.5201 8.7032 8.7032 9.0259 9.0259 9.7243 9.7243 10.6241 10.6241 11.2122 11.2122 11.2790 11.2790 11.5417 11.5417 12.9476 12.9476 k = 0.5000-0.2887 0.4082 ( 4880 PWs) bands (ev): -67.3695 -67.3695 -37.1494 -37.1494 -35.9472 -35.9472 -35.9462 -35.9462 1.5760 1.5760 6.2542 6.2542 6.9704 6.9704 7.5709 7.5709 7.8992 7.8992 8.1723 8.1723 8.5201 8.5201 8.7032 8.7032 9.0259 9.0259 9.7243 9.7243 10.6241 10.6241 11.2122 11.2122 11.2790 11.2790 11.5417 11.5417 12.9476 12.9476 k = 0.5000-0.2776 0.4161 ( 4880 PWs) bands (ev): -67.3695 -67.3695 -37.1494 -37.1494 -35.9472 -35.9472 -35.9463 -35.9462 1.5762 1.5767 6.2524 6.2564 6.9644 6.9743 7.5685 7.5740 7.8867 7.9017 8.1435 8.1923 8.4634 8.5825 8.6674 8.7384 9.0148 9.0447 9.7141 9.7420 10.6217 10.6257 11.2076 11.2161 11.2733 11.2838 11.5425 11.5430 12.9508 12.9525 k = 0.5000-0.2665 0.4240 ( 4876 PWs) bands (ev): -67.3691 -67.3691 -37.1494 -37.1494 -35.9472 -35.9472 -35.9462 -35.9462 1.5774 1.5785 6.2510 6.2591 6.9566 6.9761 7.5669 7.5780 7.8644 7.8931 8.1114 8.1973 8.4217 8.6185 8.6598 8.7698 9.0112 9.0700 9.7128 9.7667 10.6203 10.6284 11.2022 11.2193 11.2672 11.2875 11.5470 11.5476 12.9644 12.9678 k = 0.5000-0.2554 0.4318 ( 4868 PWs) bands (ev): -67.3683 -67.3683 -37.1494 -37.1494 -35.9472 -35.9471 -35.9462 -35.9462 1.5796 1.5812 6.2501 6.2624 6.9469 6.9758 7.5658 7.5827 7.8317 7.8708 8.0821 8.1840 8.4020 8.5911 8.7156 8.7962 9.0154 9.0998 9.7216 9.7974 10.6177 10.6298 11.1972 11.2236 11.2644 11.2928 11.5528 11.5529 12.9873 12.9924 k = 0.5000-0.2443 0.4397 ( 4872 PWs) bands (ev): -67.3687 -67.3686 -37.1494 -37.1494 -35.9472 -35.9471 -35.9463 -35.9462 1.5827 1.5848 6.2497 6.2661 6.9353 6.9732 7.5637 7.5870 7.7872 7.8334 8.0585 8.1580 8.4000 8.5627 8.7695 8.8181 9.0266 9.1301 9.7407 9.8331 10.6077 10.6237 11.1874 11.2229 11.2590 11.2942 11.5601 11.5611 13.0149 13.0216 k = 0.5000-0.2332 0.4475 ( 4876 PWs) bands (ev): -67.3691 -67.3690 -37.1495 -37.1494 -35.9472 -35.9471 -35.9463 -35.9462 1.5867 1.5893 6.2495 6.2702 6.9220 6.9684 7.5591 7.5894 7.7338 7.7854 8.0411 8.1290 8.4076 8.5388 8.8145 8.8365 9.0453 9.1578 9.7705 9.8734 10.6010 10.6213 11.1759 11.2199 11.2534 11.2949 11.5667 11.5695 13.0508 13.0590 k = 0.5000-0.2221 0.4554 ( 4884 PWs) bands (ev): -67.3698 -67.3698 -37.1495 -37.1494 -35.9472 -35.9471 -35.9463 -35.9462 1.5915 1.5946 6.2498 6.2748 6.9071 6.9615 7.5472 7.5833 7.6797 7.7350 8.0278 8.1022 8.4192 8.5195 8.8488 8.8525 9.0711 9.1806 9.8099 9.9169 10.5935 10.6183 11.1618 11.2139 11.2490 11.2959 11.5736 11.5787 13.0926 13.1022 k = 0.5000-0.2110 0.4632 ( 4884 PWs) bands (ev): -67.3698 -67.3698 -37.1495 -37.1494 -35.9472 -35.9471 -35.9463 -35.9462 1.5971 1.6007 6.2505 6.2799 6.8908 6.9526 7.5212 7.5494 7.6485 7.6946 8.0175 8.0792 8.4329 8.5051 8.8670 8.8735 9.1027 9.1983 9.8584 9.9634 10.5862 10.6157 11.1487 11.2080 11.2497 11.3013 11.5810 11.5890 13.1475 13.1583 k = 0.5000-0.1999 0.4711 ( 4884 PWs) bands (ev): -67.3698 -67.3698 -37.1495 -37.1494 -35.9472 -35.9471 -35.9463 -35.9462 1.6034 1.6075 6.2516 6.2855 6.8730 6.9417 7.4748 7.4853 7.6443 7.6724 8.0082 8.0595 8.4469 8.4950 8.8803 8.8907 9.1367 9.2111 9.9128 10.0114 10.5781 10.6125 11.1352 11.2005 11.2520 11.3079 11.5885 11.5995 13.2122 13.2241 k = 0.5000-0.1887 0.4789 ( 4882 PWs) bands (ev): -67.3696 -67.3696 -37.1495 -37.1494 -35.9472 -35.9471 -35.9464 -35.9462 1.6103 1.6149 6.2532 6.2919 6.8540 6.9290 7.4107 7.4132 7.6497 7.6653 7.9995 8.0423 8.4610 8.4888 8.8927 8.9025 9.1708 9.2202 9.9707 10.0600 10.5684 10.6082 11.1218 11.1922 11.2569 11.3169 11.5981 11.6121 13.2868 13.2998 k = 0.5000-0.1776 0.4868 ( 4878 PWs) bands (ev): -67.3692 -67.3692 -37.1495 -37.1494 -35.9472 -35.9471 -35.9464 -35.9462 1.6178 1.6228 6.2550 6.2986 6.8337 6.9143 7.3338 7.3446 7.6580 7.6671 7.9907 8.0270 8.4749 8.4866 8.9042 8.9104 9.2030 9.2267 10.0298 10.1083 10.5607 10.6060 11.1111 11.1851 11.2608 11.3249 11.6060 11.6234 13.3726 13.3865 k = 0.5000-0.1665 0.4946 ( 4878 PWs) bands (ev): -67.3691 -67.3691 -37.1495 -37.1494 -35.9472 -35.9471 -35.9464 -35.9462 1.6257 1.6312 6.2571 6.3059 6.8120 6.8977 7.2575 7.2743 7.6677 7.6732 7.9817 8.0129 8.4873 8.4883 8.9143 8.9151 9.2316 9.2328 10.0880 10.1548 10.5507 10.6019 11.0986 11.1756 11.2663 11.3339 11.6127 11.6332 13.4680 13.4826 k = 0.5000-0.1554 0.5025 ( 4882 PWs) bands (ev): -67.3695 -67.3695 -37.1495 -37.1494 -35.9472 -35.9470 -35.9464 -35.9463 1.6339 1.6399 6.2595 6.3137 6.7888 6.8790 7.1833 7.2053 7.6783 7.6817 7.9727 7.9993 8.4903 8.5013 8.9172 8.9229 9.2357 9.2599 10.1437 10.1982 10.5390 10.5964 11.0849 11.1644 11.2736 11.3440 11.6183 11.6417 13.5708 13.5860 k = 0.5000-0.1443 0.5103 ( 4894 PWs) bands (ev): -67.3707 -67.3707 -37.1495 -37.1494 -35.9472 -35.9470 -35.9465 -35.9463 1.6423 1.6487 6.2621 6.3220 6.7642 6.8579 7.1127 7.1398 7.6891 7.6916 7.9632 7.9866 8.4959 8.5135 8.9166 8.9297 9.2395 9.2839 10.1956 10.2385 10.5224 10.5865 11.0703 11.1517 11.2781 11.3513 11.6212 11.6474 13.6855 13.7011 k = 0.5000-0.1332 0.5182 ( 4890 PWs) bands (ev): -67.3703 -67.3702 -37.1495 -37.1494 -35.9472 -35.9470 -35.9465 -35.9463 1.6509 1.6577 6.2650 6.3310 6.7386 6.8345 7.0467 7.0798 7.7006 7.7028 7.9541 7.9747 8.5049 8.5265 8.9141 8.9352 9.2437 9.3054 10.2451 10.2767 10.5122 10.5830 11.0615 11.1440 11.2853 11.3609 11.6289 11.6577 13.8122 13.8283 k = 0.5000-0.1221 0.5260 ( 4890 PWs) bands (ev): -67.3702 -67.3702 -37.1495 -37.1494 -35.9472 -35.9470 -35.9465 -35.9463 1.6593 1.6666 6.2679 6.3404 6.7114 6.8080 6.9859 7.0262 7.7124 7.7144 7.9449 7.9630 8.5158 8.5390 8.9092 8.9388 9.2482 9.3242 10.2901 10.3112 10.5018 10.5794 11.0521 11.1353 11.2925 11.3699 11.6340 11.6653 13.9475 13.9639 k = 0.5000-0.1110 0.5339 ( 4894 PWs) bands (ev): -67.3706 -67.3706 -37.1495 -37.1494 -35.9472 -35.9470 -35.9465 -35.9463 1.6677 1.6752 6.2707 6.3500 6.6828 6.7783 6.9309 6.9801 7.7240 7.7262 7.9355 7.9517 8.5286 8.5509 8.9023 8.9409 9.2532 9.3405 10.3301 10.3417 10.4911 10.5757 11.0451 11.1287 11.2976 11.3768 11.6345 11.6681 14.0928 14.1094 k = 0.5000-0.0999 0.5417 ( 4892 PWs) bands (ev): -67.3704 -67.3703 -37.1495 -37.1494 -35.9472 -35.9470 -35.9465 -35.9463 1.6757 1.6836 6.2736 6.3602 6.6534 6.7463 6.8820 6.9418 7.7358 7.7382 7.9263 7.9408 8.5437 8.5629 8.8932 8.9414 9.2587 9.3547 10.3665 10.3698 10.4812 10.5723 11.0397 11.1234 11.3039 11.3847 11.6383 11.6740 14.2478 14.2646 k = 0.5000-0.0888 0.5496 ( 4888 PWs) bands (ev): -67.3699 -67.3699 -37.1495 -37.1494 -35.9472 -35.9469 -35.9466 -35.9463 1.6833 1.6916 6.2763 6.3707 6.6236 6.7130 6.8392 6.9107 7.7479 7.7501 7.9176 7.9301 8.5604 8.5747 8.8820 8.9405 9.2645 9.3670 10.3954 10.3993 10.4721 10.5691 11.0347 11.1183 11.3119 11.3937 11.6419 11.6794 14.4110 14.4281 k = 0.5000-0.0777 0.5574 ( 4878 PWs) bands (ev): -67.3689 -67.3689 -37.1495 -37.1494 -35.9471 -35.9469 -35.9465 -35.9463 1.6904 1.6990 6.2788 6.3813 6.5942 6.6803 6.8023 6.8857 7.7598 7.7622 7.9089 7.9201 8.5794 8.5860 8.8689 8.9388 9.2704 9.3773 10.4198 10.4283 10.4657 10.5671 11.0320 11.1154 11.3197 11.4026 11.6471 11.6862 14.5842 14.6016 k = 0.5000-0.0666 0.5653 ( 4894 PWs) bands (ev): -67.3705 -67.3705 -37.1495 -37.1494 -35.9472 -35.9469 -35.9466 -35.9463 1.6967 1.7055 6.2808 6.3918 6.5661 6.6495 6.7704 6.8651 7.7710 7.7732 7.8992 7.9090 8.5955 8.5981 8.8531 8.9351 9.2755 9.3856 10.4359 10.4427 10.4595 10.5593 11.0228 11.1062 11.3191 11.4029 11.6473 11.6876 14.7584 14.7763 k = 0.5000-0.0555 0.5731 ( 4902 PWs) bands (ev): -67.3713 -67.3713 -37.1496 -37.1494 -35.9472 -35.9469 -35.9467 -35.9463 1.7022 1.7113 6.2823 6.4019 6.5405 6.6222 6.7434 6.8484 7.7820 7.7839 7.8899 7.8983 8.6045 8.6186 8.8358 8.9316 9.2804 9.3924 10.4397 10.4509 10.4709 10.5533 11.0190 11.1022 11.3199 11.4045 11.6466 11.6881 14.9401 14.9586 k = 0.5000-0.0444 0.5810 ( 4898 PWs) bands (ev): -67.3709 -67.3708 -37.1495 -37.1494 -35.9472 -35.9469 -35.9467 -35.9463 1.7070 1.7163 6.2836 6.4116 6.5183 6.5992 6.7211 6.8354 7.7936 7.7944 7.8817 7.8881 8.6129 8.6403 8.8175 8.9283 9.2850 9.3981 10.4350 10.4665 10.4870 10.5496 11.0171 11.1000 11.3255 11.4105 11.6483 11.6907 15.1269 15.1464 k = 0.5000-0.0333 0.5888 ( 4894 PWs) bands (ev): -67.3705 -67.3704 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7107 1.7202 6.2845 6.4201 6.5003 6.5810 6.7034 6.8256 7.8040 7.8044 7.8734 7.8779 8.6197 8.6628 8.7979 8.9255 9.2887 9.4024 10.4326 10.4789 10.4984 10.5469 11.0181 11.1006 11.3275 11.4128 11.6507 11.6939 15.3148 15.3357 k = 0.5000-0.0222 0.5967 ( 4898 PWs) bands (ev): -67.3709 -67.3709 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7135 1.7230 6.2850 6.4269 6.4869 6.5678 6.6904 6.8186 7.8127 7.8142 7.8657 7.8687 8.6246 8.6853 8.7766 8.9224 9.2912 9.4053 10.4289 10.4888 10.5068 10.5421 11.0113 11.0939 11.3289 11.4145 11.6516 11.6953 15.4994 15.5228 k = 0.5000-0.0111 0.6045 ( 4898 PWs) bands (ev): -67.3709 -67.3709 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7151 1.7247 6.2852 6.4314 6.4786 6.5600 6.6823 6.8144 7.8195 7.8223 7.8595 7.8610 8.6277 8.7080 8.7549 8.9208 9.2928 9.4071 10.4268 10.4957 10.5119 10.5385 11.0103 11.0928 11.3299 11.4156 11.6522 11.6962 15.6622 15.6898 k = 0.5000 0.0000 0.6124 ( 4888 PWs) bands (ev): -67.3699 -67.3699 -37.1495 -37.1494 -35.9471 -35.9468 -35.9467 -35.9463 1.7157 1.7254 6.2853 6.4331 6.4758 6.5573 6.6797 6.8132 7.8227 7.8260 7.8576 7.8584 8.6291 8.7269 8.7371 8.9206 9.2936 9.4078 10.4273 10.5015 10.5167 10.5381 11.0115 11.0938 11.3347 11.4204 11.6541 11.6982 15.7430 15.7748 k = 0.5000 0.0000 0.6124 ( 4888 PWs) bands (ev): -67.3699 -67.3699 -37.1495 -37.1494 -35.9471 -35.9468 -35.9467 -35.9463 1.7157 1.7254 6.2853 6.4331 6.4758 6.5573 6.6797 6.8132 7.8227 7.8260 7.8576 7.8584 8.6291 8.7269 8.7371 8.9206 9.2936 9.4078 10.4273 10.5015 10.5167 10.5381 11.0115 11.0938 11.3347 11.4204 11.6541 11.6982 15.7430 15.7748 k = 0.4931 0.0120 0.6124 ( 4898 PWs) bands (ev): -67.3709 -67.3709 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7153 1.7249 6.2803 6.4227 6.4761 6.5682 6.6818 6.8150 7.8149 7.8198 7.8610 7.8679 8.6260 8.7141 8.7468 8.9268 9.2956 9.4090 10.4242 10.4974 10.5137 10.5378 11.0094 11.0913 11.3337 11.4182 11.6519 11.6961 15.6966 15.7258 k = 0.4861 0.0241 0.6124 ( 4900 PWs) bands (ev): -67.3711 -67.3711 -37.1496 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7141 1.7237 6.2672 6.3985 6.4797 6.5876 6.6908 6.8216 7.7957 7.8141 7.8673 7.8862 8.6168 8.6989 8.7567 8.9455 9.3030 9.4134 10.4244 10.4924 10.5087 10.5454 11.0082 11.0891 11.3376 11.4184 11.6530 11.6978 15.5881 15.6138 k = 0.4792 0.0361 0.6124 ( 4898 PWs) bands (ev): -67.3709 -67.3708 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7123 1.7218 6.2490 6.3688 6.4857 6.6023 6.7092 6.8326 7.7755 7.8080 7.8738 7.9052 8.6004 8.6858 8.7649 8.9732 9.3171 9.4219 10.4241 10.4875 10.5034 10.5555 11.0076 11.0870 11.3461 11.4210 11.6554 11.7011 15.4532 15.4767 k = 0.4722 0.0481 0.6124 ( 4889 PWs) bands (ev): -67.3700 -67.3700 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7100 1.7195 6.2281 6.3381 6.4919 6.6096 6.7359 6.8477 7.7558 7.8024 7.8793 7.9231 8.5785 8.6745 8.7730 9.0051 9.3398 9.4355 10.4247 10.4822 10.5003 10.5687 11.0084 11.0858 11.3588 11.4254 11.6604 11.7072 15.3068 15.3295 k = 0.4653 0.0601 0.6124 ( 4893 PWs) bands (ev): -67.3704 -67.3704 -37.1495 -37.1494 -35.9472 -35.9468 -35.9466 -35.9463 1.7073 1.7167 6.2059 6.3078 6.4972 6.6117 6.7665 6.8658 7.7361 7.7972 7.8825 7.9386 8.5524 8.6637 8.7805 9.0360 9.3718 9.4548 10.4210 10.4727 10.4968 10.5770 11.0050 11.0809 11.3710 11.4280 11.6614 11.7100 15.1542 15.1771 k = 0.4583 0.0722 0.6124 ( 4891 PWs) bands (ev): -67.3702 -67.3702 -37.1495 -37.1494 -35.9472 -35.9469 -35.9466 -35.9463 1.7043 1.7137 6.1834 6.2789 6.5014 6.6113 6.7985 6.8866 7.7176 7.7930 7.8840 7.9517 8.5251 8.6534 8.7875 9.0636 9.4143 9.4812 10.4168 10.4637 10.4963 10.5866 11.0007 11.0760 11.3868 11.4332 11.6653 11.7158 15.0017 15.0251 k = 0.4514 0.0842 0.6124 ( 4887 PWs) bands (ev): -67.3698 -67.3698 -37.1495 -37.1494 -35.9472 -35.9468 -35.9466 -35.9463 1.7012 1.7105 6.1614 6.2516 6.5045 6.6095 6.8298 6.9091 7.7002 7.7899 7.8835 7.9619 8.4978 8.6435 8.7938 9.0868 9.4662 9.5157 10.4094 10.4542 10.4981 10.5966 10.9970 11.0718 11.4061 11.4409 11.6678 11.7206 14.8511 14.8754 k = 0.4444 0.0962 0.6124 ( 4889 PWs) bands (ev): -67.3700 -67.3700 -37.1495 -37.1494 -35.9472 -35.9469 -35.9466 -35.9463 1.6980 1.7072 6.1402 6.2262 6.5068 6.6068 6.8597 6.9326 7.6839 7.7878 7.8812 7.9690 8.4715 8.6337 8.7985 9.1041 9.5240 9.5596 10.3972 10.4426 10.5014 10.6059 10.9885 11.0646 11.4239 11.4480 11.6690 11.7241 14.7048 14.7299 k = 0.4375 0.1083 0.6124 ( 4883 PWs) bands (ev): -67.3695 -67.3694 -37.1495 -37.1494 -35.9472 -35.9469 -35.9465 -35.9463 1.6948 1.7040 6.1203 6.2029 6.5086 6.6039 6.8876 6.9564 7.6692 7.7871 7.8774 7.9730 8.4470 8.6248 8.8018 9.1179 9.5829 9.6160 10.3841 10.4325 10.5066 10.6153 10.9833 11.0605 11.4442 11.4603 11.6707 11.7285 14.5643 14.5900 k = 0.4306 0.1203 0.6124 ( 4887 PWs) bands (ev): -67.3699 -67.3698 -37.1495 -37.1494 -35.9472 -35.9469 -35.9465 -35.9463 1.6918 1.7009 6.1019 6.1817 6.5099 6.6009 6.9130 6.9796 7.6557 7.7874 7.8721 7.9737 8.4243 8.6160 8.8035 9.1276 9.6399 9.6831 10.3668 10.4193 10.5082 10.6201 10.9760 11.0548 11.4599 11.4756 11.6682 11.7287 14.4313 14.4574 k = 0.4236 0.1323 0.6124 ( 4889 PWs) bands (ev): -67.3701 -67.3701 -37.1495 -37.1494 -35.9472 -35.9469 -35.9465 -35.9463 1.6889 1.6980 6.0852 6.1629 6.5110 6.5979 6.9358 7.0019 7.6439 7.7890 7.8662 7.9712 8.4044 8.6080 8.8042 9.1347 9.6977 9.7556 10.3463 10.4046 10.5114 10.6254 10.9685 11.0483 11.4746 11.4970 11.6648 11.7277 14.3078 14.3336 k = 0.4167 0.1443 0.6124 ( 4882 PWs) bands (ev): -67.3694 -67.3694 -37.1495 -37.1494 -35.9472 -35.9469 -35.9465 -35.9463 1.6863 1.6953 6.0706 6.1465 6.5122 6.5954 6.9560 7.0228 7.6339 7.7915 7.8607 7.9660 8.3876 8.6011 8.8044 9.1402 9.7575 9.8299 10.3248 10.3903 10.5162 10.6313 10.9631 11.0434 11.4906 11.5215 11.6648 11.7298 14.1971 14.2219 k = 0.4097 0.1564 0.6124 ( 4888 PWs) bands (ev): -67.3700 -67.3700 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6840 1.6930 6.0578 6.1324 6.5129 6.5927 6.9732 7.0415 7.6253 7.7941 7.8558 7.9581 8.3733 8.5946 8.8042 9.1432 9.8179 9.9022 10.2972 10.3702 10.5184 10.6340 10.9536 11.0348 11.5021 11.5405 11.6610 11.7277 14.1001 14.1229 k = 0.4028 0.1684 0.6124 ( 4889 PWs) bands (ev): -67.3701 -67.3701 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6820 1.6910 6.0473 6.1209 6.5137 6.5905 6.9873 7.0575 7.6184 7.7963 7.8532 7.9485 8.3620 8.5893 8.8034 9.1456 9.8782 9.9721 10.2673 10.3481 10.5209 10.6368 10.9483 11.0289 11.5173 11.5607 11.6565 11.7232 14.0173 14.0372 k = 0.3958 0.1804 0.6124 ( 4889 PWs) bands (ev): -67.3701 -67.3701 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6805 1.6894 6.0391 6.1119 6.5142 6.5886 6.9984 7.0706 7.6133 7.7974 7.8537 7.9378 8.3537 8.5853 8.8027 9.1472 9.9369 10.0369 10.2348 10.3228 10.5236 10.6395 10.9442 11.0240 11.5326 11.5758 11.6532 11.7166 13.9521 13.9682 k = 0.3889 0.1925 0.6124 ( 4893 PWs) bands (ev): -67.3705 -67.3705 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6793 1.6883 6.0331 6.1054 6.5147 6.5872 7.0063 7.0802 7.6096 7.7973 7.8568 7.9274 8.3476 8.5822 8.8020 9.1481 9.9928 10.0928 10.1998 10.2927 10.5244 10.6400 10.9402 11.0192 11.5460 11.5823 11.6535 11.7089 13.9047 13.9164 k = 0.3819 0.2045 0.6124 ( 4898 PWs) bands (ev): -67.3710 -67.3710 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9464 1.6786 1.6875 6.0295 6.1015 6.5150 6.5863 7.0110 7.0861 7.6073 7.7966 7.8606 7.9191 8.3436 8.5802 8.8012 9.1487 10.0447 10.1228 10.1794 10.2588 10.5242 10.6399 10.9372 11.0154 11.5600 11.5802 11.6574 11.7004 13.8751 13.8819 k = 0.3750 0.2165 0.6124 ( 4882 PWs) bands (ev): -67.3694 -67.3694 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6785 1.6874 6.0284 6.1004 6.5154 6.5863 7.0128 7.0882 7.6070 7.7968 7.8630 7.9161 8.3433 8.5804 8.8017 9.1499 10.0857 10.1039 10.1978 10.2375 10.5280 10.6430 10.9408 11.0182 11.5753 11.5778 11.6646 11.7002 13.8695 13.8732 k = 0.3750 0.2165 0.6124 ( 4882 PWs) bands (ev): -67.3694 -67.3694 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6785 1.6874 6.0284 6.1004 6.5154 6.5863 7.0128 7.0882 7.6070 7.7968 7.8630 7.9161 8.3433 8.5804 8.8017 9.1499 10.0857 10.1039 10.1978 10.2375 10.5280 10.6430 10.9408 11.0182 11.5753 11.5778 11.6646 11.7002 13.8695 13.8732 k = 0.3681 0.2125 0.6010 ( 4898 PWs) bands (ev): -67.3710 -67.3710 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9464 1.6825 1.6917 5.9719 6.0353 6.5189 6.5791 6.9771 7.0573 7.6055 7.8021 7.8778 7.9212 8.3411 8.5950 8.7970 9.1901 10.1354 10.1363 10.2215 10.2651 10.5310 10.6612 10.9252 11.0142 11.5720 11.5901 11.6948 11.7519 13.9309 13.9342 k = 0.3611 0.2085 0.5897 ( 4894 PWs) bands (ev): -67.3706 -67.3706 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9464 1.6850 1.6946 5.9133 5.9689 6.5274 6.5779 6.9430 7.0279 7.6046 7.8092 7.8928 7.9288 8.3403 8.6096 8.7953 9.2303 10.1598 10.1820 10.2493 10.2939 10.5432 10.6875 10.9167 11.0166 11.5738 11.6038 11.7428 11.8124 13.9936 13.9965 k = 0.3542 0.2045 0.5784 ( 4894 PWs) bands (ev): -67.3706 -67.3706 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9464 1.6857 1.6956 5.8543 5.9033 6.5389 6.5813 6.9100 7.0000 7.6039 7.8174 7.9072 7.9380 8.3398 8.6222 8.7965 9.2687 10.1790 10.2186 10.2717 10.3187 10.5605 10.7172 10.9115 11.0218 11.5753 11.6131 11.7982 11.8764 14.0537 14.0561 k = 0.3472 0.2005 0.5670 ( 4888 PWs) bands (ev): -67.3700 -67.3700 -37.1495 -37.1494 -35.9472 -35.9468 -35.9463 -35.9463 1.6843 1.6944 5.7969 5.8402 6.5525 6.5881 6.8785 6.9738 7.6034 7.8265 7.9211 7.9487 8.3403 8.6326 8.8014 9.3043 10.1994 10.2489 10.2901 10.3422 10.5852 10.7502 10.9105 11.0304 11.5788 11.6224 11.8619 11.9465 14.1127 14.1146 k = 0.3403 0.1965 0.5557 ( 4890 PWs) bands (ev): -67.3702 -67.3701 -37.1495 -37.1493 -35.9472 -35.9468 -35.9464 -35.9463 1.6805 1.6908 5.7421 5.7805 6.5676 6.5979 6.8483 6.9494 7.6027 7.8362 7.9344 7.9604 8.3405 8.6387 8.8094 9.3366 10.2163 10.2693 10.3015 10.3624 10.6133 10.7831 10.9154 11.0426 11.5811 11.6294 11.9303 12.0200 14.1660 14.1671 k = 0.3333 0.1925 0.5443 ( 4890 PWs) bands (ev): -67.3702 -67.3702 -37.1495 -37.1493 -35.9472 -35.9468 -35.9464 -35.9463 1.6741 1.6844 5.6912 5.7255 6.5836 6.6099 6.8195 6.9271 7.6018 7.8460 7.9470 7.9727 8.3411 8.6416 8.8207 9.3643 10.2373 10.2816 10.3080 10.3845 10.6435 10.8127 10.9268 11.0582 11.5863 11.6381 12.0042 12.0979 14.2179 14.2180 k = 0.3264 0.1884 0.5330 ( 4890 PWs) bands (ev): -67.3702 -67.3702 -37.1495 -37.1493 -35.9472 -35.9468 -35.9463 -35.9463 1.6647 1.6752 5.6452 5.6758 6.5998 6.6238 6.7922 6.9074 7.6008 7.8559 7.9592 7.9852 8.3422 8.6414 8.8343 9.3867 10.2621 10.2866 10.3108 10.4092 10.6748 10.8380 10.9452 11.0770 11.5934 11.6479 12.0832 12.1801 14.2663 14.2675 k = 0.3194 0.1844 0.5217 ( 4892 PWs) bands (ev): -67.3704 -67.3704 -37.1495 -37.1493 -35.9472 -35.9468 -35.9464 -35.9463 1.6524 1.6628 5.6047 5.6320 6.6157 6.6392 6.7665 6.8908 7.5995 7.8655 7.9708 7.9978 8.3433 8.6385 8.8492 9.4033 10.2844 10.2899 10.3100 10.4360 10.7052 10.8591 10.9697 11.0993 11.6030 11.6595 12.1658 12.2652 14.3115 14.3144 k = 0.3125 0.1804 0.5103 ( 4876 PWs) bands (ev): -67.3688 -67.3688 -37.1494 -37.1493 -35.9472 -35.9467 -35.9463 -35.9462 1.6368 1.6471 5.5703 5.5947 6.6307 6.6559 6.7432 6.8784 7.5988 7.8750 7.9828 8.0101 8.3459 8.6343 8.8646 9.4139 10.2848 10.3069 10.3311 10.4675 10.7388 10.8823 11.0006 11.1272 11.6184 11.6763 12.2565 12.3577 14.3555 14.3605 k = 0.3056 0.1764 0.4990 ( 4882 PWs) bands (ev): -67.3695 -67.3695 -37.1494 -37.1493 -35.9472 -35.9467 -35.9463 -35.9462 1.6177 1.6279 5.5423 5.5640 6.6433 6.6728 6.7217 6.8704 7.5971 7.8836 7.9938 8.0213 8.3477 8.6272 8.8791 9.4177 10.2770 10.3021 10.3646 10.4937 10.7677 10.9019 11.0312 11.1565 11.6289 11.6875 12.3474 12.4501 14.3946 14.4022 k = 0.2986 0.1724 0.4876 ( 4888 PWs) bands (ev): -67.3701 -67.3701 -37.1494 -37.1493 -35.9472 -35.9467 -35.9463 -35.9462 1.5952 1.6052 5.5212 5.5403 6.6530 6.6861 6.7064 6.8679 7.5951 7.8913 8.0042 8.0316 8.3500 8.6199 8.8924 9.4155 10.2640 10.2915 10.4072 10.5234 10.7947 10.9221 11.0620 11.1897 11.6430 11.7016 12.4399 12.5435 14.4329 14.4438 k = 0.2917 0.1684 0.4763 ( 4888 PWs) bands (ev): -67.3701 -67.3701 -37.1494 -37.1493 -35.9472 -35.9467 -35.9463 -35.9462 1.5693 1.5791 5.5072 5.5240 6.6593 6.6772 6.7159 6.8714 7.5931 7.8986 8.0143 8.0410 8.3528 8.6127 8.9040 9.4082 10.2526 10.2824 10.4547 10.5551 10.8215 10.9447 11.0936 11.2263 11.6598 11.7180 12.5367 12.6409 14.4692 14.4839 k = 0.2847 0.1644 0.4649 ( 4888 PWs) bands (ev): -67.3701 -67.3701 -37.1494 -37.1493 -35.9472 -35.9467 -35.9463 -35.9461 1.5398 1.5494 5.5004 5.5149 6.6616 6.6625 6.7348 6.8809 7.5910 7.9050 8.0242 8.0490 8.3557 8.6040 8.9136 9.3956 10.2394 10.2715 10.5047 10.5872 10.8482 10.9703 11.1267 11.2676 11.6784 11.7356 12.6349 12.7394 14.5032 14.5225 k = 0.2778 0.1604 0.4536 ( 4888 PWs) bands (ev): -67.3702 -67.3701 -37.1494 -37.1493 -35.9471 -35.9467 -35.9462 -35.9461 1.5071 1.5163 5.5009 5.5131 6.6470 6.6629 6.7550 6.8954 7.5889 7.9108 8.0338 8.0558 8.3589 8.5950 8.9209 9.3787 10.2246 10.2589 10.5557 10.6192 10.8734 10.9979 11.1612 11.3131 11.6998 11.7553 12.7342 12.8388 14.5357 14.5605 k = 0.2708 0.1564 0.4423 ( 4888 PWs) bands (ev): -67.3702 -67.3702 -37.1494 -37.1493 -35.9471 -35.9467 -35.9462 -35.9461 1.4712 1.4800 5.5085 5.5186 6.6341 6.6617 6.7758 6.9140 7.5868 7.9160 8.0430 8.0612 8.3622 8.5857 8.9258 9.3582 10.2083 10.2447 10.6073 10.6513 10.8976 11.0267 11.1988 11.3629 11.7233 11.7767 12.8340 12.9385 14.5666 14.5977 k = 0.2639 0.1524 0.4309 ( 4888 PWs) bands (ev): -67.3702 -67.3702 -37.1494 -37.1493 -35.9471 -35.9467 -35.9462 -35.9461 1.4322 1.4406 5.5232 5.5313 6.6229 6.6596 6.7970 6.9357 7.5847 7.9206 8.0520 8.0656 8.3658 8.5765 8.9285 9.3349 10.1890 10.2275 10.6587 10.6837 10.9199 11.0552 11.2408 11.4177 11.7498 11.8005 12.9327 13.0370 14.5968 14.6351 k = 0.2569 0.1483 0.4196 ( 4886 PWs) bands (ev): -67.3700 -67.3700 -37.1494 -37.1492 -35.9471 -35.9467 -35.9462 -35.9461 1.3905 1.3984 5.5449 5.5510 6.6139 6.6576 6.8184 6.9597 7.5831 7.9248 8.0609 8.0685 8.3693 8.5666 8.9288 9.3088 10.1701 10.2104 10.7081 10.7152 10.9418 11.0829 11.2886 11.4761 11.7795 11.8270 13.0309 13.1347 14.6251 14.6716 k = 0.2500 0.1443 0.4082 ( 4874 PWs) bands (ev): -67.3688 -67.3688 -37.1493 -37.1492 -35.9470 -35.9466 -35.9461 -35.9460 1.3463 1.3537 5.5733 5.5775 6.6069 6.6563 6.8398 6.9851 7.5818 7.9284 8.0698 8.0706 8.3731 8.5570 8.9272 9.2814 10.1524 10.1949 10.7487 10.7578 10.9666 11.1108 11.3454 11.5398 11.8132 11.8571 13.1293 13.2327 14.6528 14.7085 k = 0.2431 0.1403 0.3969 ( 4878 PWs) bands (ev): -67.3693 -67.3692 -37.1493 -37.1492 -35.9470 -35.9466 -35.9461 -35.9460 1.2997 1.3067 5.6079 5.6103 6.6016 6.6557 6.8611 7.0115 7.5805 7.9313 8.0711 8.0779 8.3760 8.5466 8.9230 9.2514 10.1289 10.1734 10.7760 10.8001 10.9864 11.1332 11.4085 11.6073 11.8431 11.8827 13.2233 13.3260 14.6785 14.7445 k = 0.2361 0.1363 0.3856 ( 4870 PWs) bands (ev): -67.3685 -67.3685 -37.1493 -37.1492 -35.9469 -35.9466 -35.9460 -35.9460 1.2513 1.2578 5.6488 5.6494 6.5986 6.6564 6.8824 7.0384 7.5799 7.9338 8.0710 8.0863 8.3792 8.5364 8.9172 9.2207 10.1075 10.1540 10.8055 10.8422 11.0092 11.1561 11.4799 11.6790 11.8782 11.9130 13.3158 13.4177 14.7033 14.7807 k = 0.2292 0.1323 0.3742 ( 4862 PWs) bands (ev): -67.3677 -67.3677 -37.1492 -37.1491 -35.9468 -35.9465 -35.9460 -35.9459 1.2012 1.2072 5.6943 5.6954 6.5973 6.6584 6.9035 7.0655 7.5798 7.9360 8.0704 8.0944 8.3821 8.5268 8.9104 9.1904 10.0824 10.1310 10.8350 10.8822 11.0299 11.1758 11.5590 11.7548 11.9152 11.9444 13.4037 13.5047 14.7269 14.8163 k = 0.2222 0.1283 0.3629 ( 4880 PWs) bands (ev): -67.3695 -67.3695 -37.1493 -37.1492 -35.9468 -35.9465 -35.9460 -35.9460 1.1496 1.1552 5.7444 5.7470 6.5975 6.6615 6.9242 7.0922 7.5796 7.9371 8.0679 8.1016 8.3834 8.5148 8.9005 9.1566 10.0502 10.1011 10.8560 10.9129 11.0457 11.1894 11.6399 11.8295 11.9449 11.9673 13.4848 13.5847 14.7468 14.8490 k = 0.2153 0.1243 0.3515 ( 4868 PWs) bands (ev): -67.3684 -67.3684 -37.1492 -37.1491 -35.9468 -35.9465 -35.9460 -35.9459 1.0971 1.1023 5.8000 5.8039 6.6003 6.6667 6.9449 7.1185 7.5813 7.9386 8.0663 8.1099 8.3860 8.5053 8.8914 9.1259 10.0229 10.0759 10.8838 10.9477 11.0661 11.2064 11.7307 11.9084 11.9873 11.9997 13.5631 13.6617 14.7661 14.8807 k = 0.2083 0.1203 0.3402 ( 4872 PWs) bands (ev): -67.3688 -67.3688 -37.1492 -37.1491 -35.9467 -35.9465 -35.9460 -35.9459 1.0438 1.0485 5.8600 5.8650 6.6048 6.6732 6.9652 7.1440 7.5833 7.9392 8.0636 8.1176 8.3874 8.4946 8.8803 9.0934 9.9915 10.0466 10.9058 10.9764 11.0832 11.2197 11.8237 11.9755 12.0240 12.0347 13.6343 13.7314 14.7816 14.9075 k = 0.2014 0.1163 0.3289 ( 4876 PWs) bands (ev): -67.3692 -67.3692 -37.1492 -37.1491 -35.9467 -35.9465 -35.9459 -35.9459 0.9901 0.9943 5.9242 5.9302 6.6112 6.6813 6.9853 7.1683 7.5865 7.9395 8.0608 8.1253 8.3885 8.4841 8.8684 9.0610 9.9586 10.0159 10.9270 11.0031 11.0995 11.2317 11.9203 12.0189 12.0467 12.1064 13.6988 13.7941 14.7930 14.9277 k = 0.1944 0.1123 0.3175 ( 4868 PWs) bands (ev): -67.3685 -67.3685 -37.1492 -37.1491 -35.9466 -35.9464 -35.9459 -35.9459 0.9362 0.9401 5.9926 5.9990 6.6197 6.6911 7.0054 7.1914 7.5912 7.9400 8.0585 8.1333 8.3901 8.4744 8.8576 9.0312 9.9245 9.9842 10.9516 11.0313 11.1177 11.2451 12.0216 12.0544 12.0733 12.1929 13.7565 13.8497 14.7993 14.9382 k = 0.1875 0.1083 0.3062 ( 4856 PWs) bands (ev): -67.3674 -67.3674 -37.1491 -37.1490 -35.9465 -35.9463 -35.9459 -35.9458 0.8824 0.8859 6.0645 6.0709 6.6303 6.7026 7.0255 7.2130 7.5975 7.9404 8.0564 8.1413 8.3917 8.4652 8.8459 9.0011 9.8910 9.9532 10.9748 11.0581 11.1386 11.2609 12.0850 12.0947 12.1276 12.2834 13.8076 13.8985 14.7991 14.9360 k = 0.1806 0.1042 0.2948 ( 4862 PWs) bands (ev): -67.3680 -67.3680 -37.1491 -37.1490 -35.9465 -35.9463 -35.9458 -35.9458 0.8288 0.8320 6.1389 6.1447 6.6424 6.7153 7.0457 7.2330 7.6044 7.9403 8.0541 8.1487 8.3922 8.4549 8.8338 8.9711 9.8517 9.9163 10.9946 11.0804 11.1526 11.2701 12.1052 12.1107 12.2298 12.3736 13.8489 13.9372 14.7908 14.9187 k = 0.1736 0.1002 0.2835 ( 4864 PWs) bands (ev): -67.3683 -67.3683 -37.1491 -37.1490 -35.9465 -35.9463 -35.9458 -35.9458 0.7759 0.7786 6.2160 6.2202 6.6563 6.7293 7.0664 7.2513 7.6127 7.9408 8.0528 8.1561 8.3930 8.4453 8.8231 8.9434 9.8095 9.8767 11.0136 11.1009 11.1663 11.2787 12.1263 12.1274 12.3358 12.4660 13.8815 13.9669 14.7738 14.8864 k = 0.1667 0.0962 0.2722 ( 4860 PWs) bands (ev): -67.3679 -67.3679 -37.1490 -37.1490 -35.9464 -35.9462 -35.9458 -35.9458 0.7236 0.7261 6.2952 6.2965 6.6725 6.7449 7.0880 7.2681 7.6228 7.9418 8.0523 8.1633 8.3944 8.4361 8.8119 8.9158 9.7679 9.8378 11.0325 11.1211 11.1821 11.2894 12.1439 12.1471 12.4411 12.5575 13.9077 13.9902 14.7481 14.8411 k = 0.1597 0.0922 0.2608 ( 4864 PWs) bands (ev): -67.3684 -67.3684 -37.1490 -37.1490 -35.9464 -35.9462 -35.9458 -35.9458 0.6724 0.6745 6.3721 6.3755 6.6905 6.7615 7.1109 7.2836 7.6336 7.9430 8.0525 8.1700 8.3950 8.4266 8.8023 8.8906 9.7230 9.7957 11.0485 11.1373 11.1943 11.2967 12.1536 12.1599 12.5468 12.6485 13.9255 14.0052 14.7138 14.7855 k = 0.1528 0.0882 0.2495 ( 4864 PWs) bands (ev): -67.3684 -67.3684 -37.1490 -37.1490 -35.9463 -35.9462 -35.9458 -35.9457 0.6222 0.6241 6.4458 6.4563 6.7110 6.7794 7.1361 7.2982 7.6456 7.9450 8.0539 8.1762 8.3960 8.4174 8.7939 8.8672 9.6774 9.7529 11.0669 11.1551 11.2062 11.3038 12.1607 12.1694 12.6519 12.7382 13.9372 14.0144 14.6722 14.7226 k = 0.1458 0.0842 0.2381 ( 4866 PWs) bands (ev): -67.3687 -67.3687 -37.1490 -37.1490 -35.9463 -35.9461 -35.9458 -35.9457 0.5733 0.5750 6.5157 6.5367 6.7341 6.7982 7.1641 7.3123 7.6583 7.9477 8.0564 8.1819 8.3970 8.4082 8.7864 8.8455 9.6303 9.7087 11.0852 11.1723 11.2178 11.3106 12.1621 12.1726 12.7548 12.8252 13.9427 14.0179 14.6246 14.6551 k = 0.1389 0.0802 0.2268 ( 4868 PWs) bands (ev): -67.3689 -67.3689 -37.1490 -37.1489 -35.9462 -35.9461 -35.9458 -35.9457 0.5259 0.5273 6.5800 6.6159 6.7601 6.8178 7.1962 7.3267 7.6716 7.9518 8.0602 8.1869 8.3985 8.3992 8.7805 8.8261 9.5818 9.6631 11.1021 11.1875 11.2272 11.3152 12.1614 12.1730 12.8561 12.9098 13.9428 14.0168 14.5725 14.5852 k = 0.1319 0.0762 0.2155 ( 4866 PWs) bands (ev): -67.3687 -67.3687 -37.1490 -37.1489 -35.9462 -35.9461 -35.9457 -35.9457 0.4800 0.4813 6.6366 6.6927 6.7893 6.8381 7.2333 7.3421 7.6855 7.9574 8.0657 8.1913 8.3911 8.4005 8.7771 8.8098 9.5330 9.6173 11.1194 11.2028 11.2362 11.3195 12.1559 12.1679 12.9565 12.9931 13.9393 14.0131 14.5150 14.5178 k = 0.1250 0.0722 0.2041 ( 4858 PWs) bands (ev): -67.3680 -67.3680 -37.1489 -37.1489 -35.9461 -35.9460 -35.9457 -35.9457 0.4359 0.4370 6.6849 6.7657 6.8212 6.8589 7.2762 7.3597 7.7000 7.9651 8.0724 8.1951 8.3835 8.4035 8.7764 8.7972 9.4831 9.5706 11.1388 11.2195 11.2473 11.3259 12.1471 12.1588 13.0552 13.0737 13.9314 14.0064 14.4462 14.4622 k = 0.1181 0.0682 0.1928 ( 4878 PWs) bands (ev): -67.3700 -67.3700 -37.1489 -37.1489 -35.9461 -35.9460 -35.9457 -35.9457 0.3936 0.3945 6.7249 6.8326 6.8531 6.8795 7.3248 7.3801 7.7140 7.9739 8.0789 8.1975 8.3745 8.4063 8.7734 8.7829 9.4291 9.5200 11.1467 11.2235 11.2519 11.3264 12.1303 12.1412 13.1413 13.1424 13.9174 13.9947 14.3786 14.4049 k = 0.1111 0.0642 0.1814 ( 4874 PWs) bands (ev): -67.3696 -67.3696 -37.1489 -37.1489 -35.9460 -35.9460 -35.9457 -35.9457 0.3532 0.3539 6.7594 6.8841 6.8929 6.9006 7.3788 7.4050 7.7294 7.9858 8.0868 8.1993 8.3686 8.4122 8.7730 8.7737 9.3779 9.4722 11.1638 11.2369 11.2630 11.3331 12.1123 12.1220 13.2101 13.2263 13.9040 13.9850 14.3158 14.3498 k = 0.1042 0.0601 0.1701 ( 4880 PWs) bands (ev): -67.3702 -67.3702 -37.1489 -37.1489 -35.9460 -35.9459 -35.9457 -35.9457 0.3148 0.3154 6.7897 6.9115 6.9211 6.9446 7.4345 7.4362 7.7452 8.0001 8.0947 8.2000 8.3642 8.4200 8.7648 8.7747 9.3255 9.4230 11.1778 11.2473 11.2677 11.3334 12.0873 12.0955 13.2707 13.3036 13.8887 13.9746 14.2572 14.2963 k = 0.0972 0.0561 0.1588 ( 4882 PWs) bands (ev): -67.3704 -67.3704 -37.1489 -37.1489 -35.9459 -35.9459 -35.9457 -35.9457 0.2785 0.2790 6.8174 6.9355 6.9410 6.9871 7.4695 7.4950 7.7619 8.0173 8.1022 8.1995 8.3631 8.4314 8.7588 8.7767 9.2733 9.3741 11.1932 11.2586 11.2734 11.3346 12.0596 12.0661 13.3250 13.3724 13.8735 13.9645 14.2047 14.2460 k = 0.0903 0.0521 0.1474 ( 4881 PWs) bands (ev): -67.3704 -67.3704 -37.1489 -37.1489 -35.9459 -35.9459 -35.9457 -35.9457 0.2445 0.2449 6.8435 6.9559 6.9603 7.0205 7.5089 7.5529 7.7798 8.0369 8.1087 8.1977 8.3661 8.4464 8.7558 8.7804 9.2221 9.3262 11.2078 11.2690 11.2805 11.3374 12.0269 12.0316 13.3733 13.4329 13.8604 13.9562 14.1584 14.1997 k = 0.0833 0.0481 0.1361 ( 4887 PWs) bands (ev): -67.3709 -67.3709 -37.1489 -37.1489 -35.9459 -35.9459 -35.9457 -35.9457 0.2127 0.2130 6.8680 6.9730 6.9785 7.0456 7.5509 7.6074 7.7988 8.0577 8.1132 8.1942 8.3744 8.4649 8.7536 8.7836 9.1716 9.2786 11.2204 11.2773 11.2854 11.3379 11.9883 11.9914 13.4122 13.4794 13.8509 13.9490 14.1175 14.1564 k = 0.0764 0.0441 0.1247 ( 4883 PWs) bands (ev): -67.3705 -67.3705 -37.1488 -37.1488 -35.9458 -35.9458 -35.9457 -35.9457 0.1832 0.1834 6.8916 6.9877 6.9954 7.0638 7.5948 7.6577 7.8193 8.0786 8.1158 8.1893 8.3906 8.4879 8.7549 8.7887 9.1237 9.2332 11.2339 11.2862 11.2937 11.3421 11.9476 11.9493 13.4460 13.5152 13.8487 13.9449 14.0839 14.1190 k = 0.0694 0.0401 0.1134 ( 4895 PWs) bands (ev): -67.3717 -67.3717 -37.1489 -37.1489 -35.9458 -35.9458 -35.9457 -35.9457 0.1561 0.1562 6.9137 7.0000 7.0106 7.0763 7.6376 7.7021 7.8399 8.0964 8.1159 8.1823 8.4139 8.5133 8.7578 8.7937 9.0751 9.1866 11.2446 11.2923 11.2950 11.3391 11.9013 11.9018 13.4702 13.5358 13.8507 13.9397 14.0527 14.0836 k = 0.0625 0.0361 0.1021 ( 4907 PWs) bands (ev): -67.3729 -67.3729 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.1314 0.1315 6.9347 7.0106 7.0240 7.0846 7.6794 7.7415 7.8614 8.1099 8.1136 8.1736 8.4452 8.5403 8.7638 8.7993 9.0305 9.1428 11.2525 11.2947 11.2956 11.3345 11.8532 11.8535 13.4882 13.5448 13.8601 13.9376 14.0269 14.0530 k = 0.0556 0.0321 0.0907 ( 4907 PWs) bands (ev): -67.3729 -67.3729 -37.1489 -37.1489 -35.9458 -35.9458 -35.9457 -35.9457 0.1092 0.1093 6.9547 7.0201 7.0358 7.0897 7.7202 7.7766 7.8841 8.1094 8.1187 8.1642 8.4827 8.5671 8.7740 8.8060 8.9920 9.1034 11.2635 11.2988 11.3017 11.3343 11.8047 11.8055 13.5020 13.5470 13.8755 13.9396 14.0073 14.0281 k = 0.0486 0.0281 0.0794 ( 4905 PWs) bands (ev): -67.3727 -67.3727 -37.1488 -37.1488 -35.9458 -35.9458 -35.9457 -35.9457 0.0895 0.0896 6.9733 7.0287 7.0456 7.0921 7.7599 7.8080 7.9070 8.1033 8.1224 8.1544 8.5241 8.5916 8.7902 8.8142 8.9573 9.0655 11.2716 11.3003 11.3053 11.3315 11.7585 11.7595 13.5131 13.5449 13.8933 13.9419 13.9931 14.0101 k = 0.0417 0.0241 0.0680 ( 4917 PWs) bands (ev): -67.3739 -67.3739 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.0724 0.0724 6.9905 7.0361 7.0533 7.0923 7.7963 7.8353 7.9293 8.0948 8.1196 8.1445 8.5615 8.6095 8.8084 8.8219 8.9282 9.0299 11.2776 11.2992 11.3067 11.3260 11.7121 11.7131 13.5160 13.5372 13.9065 13.9424 13.9785 13.9917 k = 0.0347 0.0200 0.0567 ( 4921 PWs) bands (ev): -67.3744 -67.3744 -37.1489 -37.1489 -35.9458 -35.9458 -35.9457 -35.9457 0.0578 0.0578 7.0063 7.0427 7.0593 7.0910 7.8313 7.8602 7.9517 8.0853 8.1122 8.1346 8.5933 8.6224 8.8305 8.8328 8.9080 8.9992 11.2828 11.2993 11.3072 11.3219 11.6698 11.6706 13.5186 13.5313 13.9195 13.9448 13.9692 13.9790 k = 0.0278 0.0160 0.0454 ( 4921 PWs) bands (ev): -67.3744 -67.3744 -37.1489 -37.1489 -35.9458 -35.9458 -35.9457 -35.9457 0.0459 0.0459 7.0209 7.0487 7.0635 7.0882 7.8636 7.8830 7.9736 8.0758 8.1016 8.1237 8.6161 8.6306 8.8474 8.8533 8.8945 8.9718 11.2898 11.3024 11.3093 11.3206 11.6325 11.6330 13.5195 13.5262 13.9305 13.9470 13.9614 13.9690 k = 0.0208 0.0120 0.0340 ( 4921 PWs) bands (ev): -67.3744 -67.3744 -37.1488 -37.1488 -35.9458 -35.9458 -35.9457 -35.9457 0.0366 0.0366 7.0340 7.0539 7.0660 7.0842 7.8922 7.9031 7.9951 8.0665 8.0893 8.1106 8.6295 8.6352 8.8639 8.8735 8.8882 8.9482 11.2960 11.3050 11.3106 11.3189 11.6017 11.6019 13.5193 13.5223 13.9390 13.9489 13.9558 13.9616 k = 0.0139 0.0080 0.0227 ( 4917 PWs) bands (ev): -67.3741 -67.3741 -37.1488 -37.1488 -35.9458 -35.9458 -35.9457 -35.9457 0.0300 0.0300 7.0457 7.0585 7.0670 7.0790 7.9160 7.9200 8.0165 8.0590 8.0769 8.0952 8.6363 8.6377 8.8809 8.8880 8.8900 8.9288 11.3018 11.3075 11.3114 11.3169 11.5787 11.5788 13.5200 13.5208 13.9460 13.9510 13.9539 13.9579 k = 0.0069 0.0040 0.0113 ( 4909 PWs) bands (ev): -67.3733 -67.3733 -37.1488 -37.1488 -35.9457 -35.9457 -35.9457 -35.9457 0.0260 0.0260 7.0560 7.0622 7.0666 7.0726 7.9321 7.9327 8.0376 8.0558 8.0660 8.0775 8.6391 8.6393 8.8932 8.8954 8.9006 8.9138 11.3071 11.3099 11.3119 11.3146 11.5643 11.5643 13.5219 13.5220 13.9523 13.9545 13.9546 13.9563 k = 0.0000 0.0000 0.0000 ( 4909 PWs) bands (ev): -67.3733 -67.3733 -37.1488 -37.1488 -35.9457 -35.9457 -35.9457 -35.9457 0.0247 0.0247 7.0650 7.0650 7.0650 7.0650 7.9374 7.9374 8.0580 8.0580 8.0580 8.0580 8.6395 8.6395 8.9017 8.9017 8.9017 8.9017 11.3112 11.3112 11.3112 11.3112 11.5594 11.5594 13.5216 13.5216 13.9544 13.9544 13.9544 13.9544 k = 0.0000 0.0000 0.0000 ( 4909 PWs) bands (ev): -67.3733 -67.3733 -37.1488 -37.1488 -35.9457 -35.9457 -35.9457 -35.9457 0.0247 0.0247 7.0650 7.0650 7.0650 7.0650 7.9374 7.9374 8.0580 8.0580 8.0580 8.0580 8.6395 8.6395 8.9017 8.9017 8.9017 8.9017 11.3112 11.3112 11.3112 11.3112 11.5594 11.5594 13.5216 13.5216 13.9544 13.9544 13.9544 13.9544 k = 0.0114 0.0066 0.0046 ( 4909 PWs) bands (ev): -67.3733 -67.3733 -37.1488 -37.1488 -35.9457 -35.9457 -35.9457 -35.9457 0.0260 0.0260 7.0557 7.0644 7.0644 7.0729 7.9324 7.9324 8.0365 8.0611 8.0611 8.0780 8.6392 8.6392 8.8933 8.8976 8.8976 8.9145 11.3070 11.3109 11.3109 11.3148 11.5644 11.5644 13.5220 13.5220 13.9526 13.9547 13.9547 13.9559 k = 0.0227 0.0131 0.0093 ( 4915 PWs) bands (ev): -67.3739 -67.3739 -37.1488 -37.1488 -35.9458 -35.9458 -35.9457 -35.9457 0.0300 0.0300 7.0452 7.0628 7.0628 7.0794 7.9184 7.9184 8.0140 8.0686 8.0686 8.0960 8.6368 8.6368 8.8844 8.8844 8.8896 8.9314 11.3017 11.3097 11.3097 11.3173 11.5787 11.5787 13.5211 13.5211 13.9501 13.9521 13.9521 13.9568 k = 0.0341 0.0197 0.0139 ( 4921 PWs) bands (ev): -67.3744 -67.3744 -37.1488 -37.1488 -35.9458 -35.9458 -35.9457 -35.9457 0.0367 0.0367 7.0335 7.0602 7.0602 7.0843 7.8985 7.8985 7.9907 8.0785 8.0785 8.1117 8.6308 8.6308 8.8684 8.8684 8.8894 8.9505 11.2958 11.3079 11.3079 11.3192 11.6019 11.6019 13.5210 13.5210 13.9447 13.9527 13.9527 13.9549 k = 0.0455 0.0262 0.0186 ( 4921 PWs) bands (ev): -67.3744 -67.3744 -37.1489 -37.1489 -35.9458 -35.9458 -35.9457 -35.9457 0.0460 0.0460 7.0209 7.0565 7.0565 7.0877 7.8752 7.8752 7.9675 8.0887 8.0887 8.1250 8.6175 8.6175 8.8538 8.8538 8.8961 8.9747 11.2898 11.3061 11.3061 11.3210 11.6328 11.6328 13.5238 13.5238 13.9417 13.9548 13.9548 13.9554 k = 0.0568 0.0328 0.0232 ( 4921 PWs) bands (ev): -67.3744 -67.3744 -37.1489 -37.1489 -35.9458 -35.9458 -35.9457 -35.9457 0.0580 0.0580 7.0074 7.0518 7.0518 7.0895 7.8488 7.8488 7.9447 8.0977 8.0977 8.1357 8.5924 8.5924 8.8457 8.8457 8.9081 9.0019 11.2832 11.3038 11.3038 11.3221 11.6699 11.6699 13.5273 13.5273 13.9382 13.9556 13.9576 13.9576 k = 0.0682 0.0394 0.0278 ( 4924 PWs) bands (ev): -67.3746 -67.3746 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.0726 0.0726 6.9929 7.0460 7.0460 7.0894 7.8196 7.8196 7.9223 8.1044 8.1044 8.1436 8.5537 8.5537 8.8467 8.8467 8.9241 9.0309 11.2770 11.3019 11.3019 11.3236 11.7115 11.7115 13.5300 13.5300 13.9325 13.9536 13.9601 13.9601 k = 0.0795 0.0459 0.0325 ( 4918 PWs) bands (ev): -67.3740 -67.3740 -37.1489 -37.1489 -35.9458 -35.9458 -35.9458 -35.9458 0.0898 0.0898 6.9778 7.0392 7.0392 7.0876 7.7886 7.7886 7.9014 8.1083 8.1083 8.1492 8.5051 8.5051 8.8585 8.8585 8.9461 9.0634 11.2714 11.3006 11.3006 11.3256 11.7570 11.7570 13.5359 13.5359 13.9282 13.9533 13.9660 13.9660 k = 0.0909 0.0525 0.0371 ( 4897 PWs) bands (ev): -67.3719 -67.3719 -37.1488 -37.1488 -35.9458 -35.9458 -35.9457 -35.9457 0.1097 0.1097 6.9624 7.0316 7.0316 7.0841 7.7552 7.7552 7.8826 8.1080 8.1080 8.1529 8.4505 8.4505 8.8797 8.8797 8.9750 9.1004 11.2714 11.3049 11.3049 11.3330 11.8042 11.8042 13.5448 13.5448 13.9267 13.9558 13.9732 13.9732 k = 0.1023 0.0590 0.0418 ( 4891 PWs) bands (ev): -67.3713 -67.3713 -37.1488 -37.1488 -35.9458 -35.9458 -35.9457 -35.9457 0.1320 0.1320 6.9461 7.0226 7.0226 7.0783 7.7175 7.7175 7.8648 8.1004 8.1004 8.1544 8.3953 8.3953 8.9057 8.9057 9.0064 9.1377 11.2648 11.3025 11.3025 11.3338 11.8504 11.8504 13.5520 13.5520 13.9222 13.9557 13.9792 13.9792 k = 0.1136 0.0656 0.0464 ( 4891 PWs) bands (ev): -67.3713 -67.3713 -37.1488 -37.1488 -35.9458 -35.9458 -35.9457 -35.9457 0.1569 0.1569 6.9290 7.0125 7.0125 7.0705 7.6747 7.6747 7.8485 8.0832 8.0832 8.1542 8.3461 8.3461 8.9353 8.9353 9.0400 9.1754 11.2564 11.2986 11.2986 11.3330 11.8947 11.8947 13.5580 13.5580 13.9153 13.9534 13.9851 13.9851 k = 0.1250 0.0722 0.0510 ( 4891 PWs) bands (ev): -67.3713 -67.3713 -37.1489 -37.1489 -35.9458 -35.9458 -35.9457 -35.9457 0.1842 0.1842 6.9116 7.0011 7.0011 7.0609 7.6258 7.6258 7.8341 8.0549 8.0549 8.1524 8.3081 8.3081 8.9690 8.9690 9.0779 9.2156 11.2468 11.2932 11.2932 11.3307 11.9350 11.9350 13.5650 13.5650 13.9090 13.9519 13.9912 13.9912 k = 0.1364 0.0787 0.0557 ( 4882 PWs) bands (ev): -67.3705 -67.3705 -37.1489 -37.1489 -35.9458 -35.9458 -35.9457 -35.9457 0.2140 0.2140 6.8940 6.9887 6.9887 7.0494 7.5699 7.5699 7.8222 8.0180 8.0180 8.1500 8.2837 8.2837 9.0063 9.0063 9.1192 9.2577 11.2386 11.2892 11.2892 11.3298 11.9734 11.9734 13.5738 13.5738 13.9032 13.9511 13.9999 13.9999 k = 0.1477 0.0853 0.0603 ( 4882 PWs) bands (ev): -67.3705 -67.3705 -37.1489 -37.1489 -35.9459 -35.9459 -35.9457 -35.9457 0.2461 0.2461 6.8759 6.9747 6.9747 7.0360 7.5047 7.5047 7.8119 7.9763 7.9763 8.1467 8.2691 8.2691 9.0451 9.0451 9.1619 9.3000 11.2276 11.2824 11.2824 11.3260 12.0047 12.0047 13.5809 13.5809 13.8954 13.9485 14.0074 14.0074 k = 0.1591 0.0919 0.0649 ( 4870 PWs) bands (ev): -67.3693 -67.3693 -37.1489 -37.1489 -35.9459 -35.9459 -35.9457 -35.9457 0.2806 0.2806 6.8579 6.9593 6.9593 7.0211 7.4309 7.4309 7.8044 7.9359 7.9359 8.1432 8.2614 8.2614 9.0873 9.0873 9.2082 9.3449 11.2209 11.2797 11.2797 11.3263 12.0307 12.0307 13.5893 13.5893 13.8889 13.9475 14.0158 14.0158 k = 0.1705 0.0984 0.0696 ( 4870 PWs) bands (ev): -67.3692 -67.3692 -37.1489 -37.1489 -35.9460 -35.9460 -35.9457 -35.9457 0.3173 0.3173 6.8395 6.9413 6.9413 7.0047 7.3491 7.3491 7.7980 7.8992 7.8992 8.1389 8.2575 8.2575 9.1299 9.1299 9.2549 9.3892 11.2090 11.2717 11.2717 11.3214 12.0489 12.0489 13.5954 13.5954 13.8799 13.9441 14.0231 14.0231 k = 0.1818 0.1050 0.0742 ( 4864 PWs) bands (ev): -67.3686 -67.3686 -37.1489 -37.1489 -35.9460 -35.9460 -35.9457 -35.9457 0.3562 0.3562 6.8213 6.9201 6.9201 6.9871 7.2621 7.2621 7.7937 7.8676 7.8676 8.1344 8.2561 8.2561 9.1746 9.1746 9.3036 9.4349 11.2001 11.2664 11.2664 11.3192 12.0603 12.0603 13.6008 13.6008 13.8706 13.9406 14.0300 14.0300 k = 0.1932 0.1115 0.0789 ( 4882 PWs) bands (ev): -67.3704 -67.3704 -37.1489 -37.1489 -35.9461 -35.9461 -35.9457 -35.9457 0.3971 0.3971 6.8026 6.8928 6.8928 6.9681 7.1730 7.1730 7.7899 7.8402 7.8402 8.1293 8.2557 8.2557 9.2170 9.2170 9.3497 9.4774 11.1832 11.2532 11.2532 11.3092 12.0611 12.0611 13.6007 13.6007 13.8563 13.9321 14.0348 14.0348 k = 0.2045 0.1181 0.0835 ( 4882 PWs) bands (ev): -67.3703 -67.3703 -37.1490 -37.1490 -35.9461 -35.9461 -35.9457 -35.9457 0.4401 0.4401 6.7845 6.8554 6.8554 6.9485 7.0896 7.0896 7.7887 7.8178 7.8178 8.1245 8.2567 8.2567 9.2634 9.2634 9.4002 9.5236 11.1701 11.2433 11.2433 11.3026 12.0568 12.0568 13.6033 13.6033 13.8456 13.9274 14.0394 14.0394 k = 0.2159 0.1247 0.0881 ( 4882 PWs) bands (ev): -67.3703 -67.3703 -37.1490 -37.1490 -35.9462 -35.9462 -35.9457 -35.9457 0.4850 0.4850 6.7666 6.8001 6.8001 6.9281 7.0200 7.0200 7.7889 7.7993 7.7993 8.1197 8.2583 8.2583 9.3108 9.3108 9.4519 9.5702 11.1573 11.2334 11.2334 11.2960 12.0440 12.0440 13.6043 13.6043 13.8345 13.9221 14.0425 14.0425 k = 0.2273 0.1312 0.0928 ( 4864 PWs) bands (ev): -67.3685 -67.3685 -37.1490 -37.1490 -35.9462 -35.9462 -35.9457 -35.9457 0.5317 0.5317 6.7234 6.7234 6.7492 6.9074 6.9703 6.9703 7.7849 7.7849 7.7912 8.1154 8.2612 8.2612 9.3612 9.3612 9.5066 9.6195 11.1474 11.2260 11.2260 11.2920 12.0319 12.0319 13.6063 13.6063 13.8255 13.9190 14.0444 14.0444 k = 0.2386 0.1378 0.0974 ( 4864 PWs) bands (ev): -67.3685 -67.3685 -37.1490 -37.1490 -35.9462 -35.9462 -35.9457 -35.9457 0.5801 0.5801 6.6297 6.6297 6.7320 6.8863 6.9348 6.9348 7.7724 7.7724 7.7939 8.1106 8.2639 8.2639 9.4102 9.4102 9.5596 9.6665 11.1334 11.2141 11.2141 11.2837 12.0062 12.0062 13.6041 13.6041 13.8134 13.9124 14.0440 14.0440 k = 0.2500 0.1443 0.1021 ( 4870 PWs) bands (ev): -67.3690 -67.3690 -37.1490 -37.1490 -35.9463 -35.9463 -35.9457 -35.9457 0.6300 0.6300 6.5262 6.5262 6.7150 6.8649 6.9079 6.9079 7.7622 7.7622 7.7973 8.1057 8.2666 8.2666 9.4588 9.4588 9.6121 9.7127 11.1178 11.2002 11.2002 11.2736 11.9719 11.9719 13.5993 13.5993 13.7999 13.9044 14.0419 14.0419 k = 0.2614 0.1509 0.1067 ( 4873 PWs) bands (ev): -67.3693 -67.3693 -37.1490 -37.1490 -35.9464 -35.9464 -35.9457 -35.9457 0.6814 0.6814 6.4181 6.4181 6.6987 6.8436 6.8858 6.8858 7.7541 7.7541 7.8018 8.1009 8.2697 8.2697 9.5084 9.5084 9.6655 9.7593 11.1027 11.1863 11.1863 11.2635 11.9328 11.9328 13.5937 13.5937 13.7868 13.8962 14.0384 14.0384 k = 0.2727 0.1575 0.1113 ( 4876 PWs) bands (ev): -67.3695 -67.3695 -37.1490 -37.1490 -35.9464 -35.9464 -35.9458 -35.9457 0.7339 0.7339 6.3081 6.3081 6.6828 6.8224 6.8663 6.8663 7.7482 7.7482 7.8069 8.0959 8.2733 8.2733 9.5575 9.5575 9.7183 9.8049 11.0864 11.1708 11.1708 11.2521 11.8926 11.8926 13.5859 13.5859 13.7725 13.8866 14.0337 14.0337 k = 0.2841 0.1640 0.1160 ( 4870 PWs) bands (ev): -67.3689 -67.3689 -37.1491 -37.1491 -35.9465 -35.9465 -35.9457 -35.9457 0.7876 0.7876 6.1975 6.1975 6.6678 6.8016 6.8487 6.8487 7.7440 7.7440 7.8132 8.0913 8.2773 8.2773 9.6090 9.6090 9.7734 9.8525 11.0734 11.1577 11.1577 11.2431 11.8468 11.8468 13.5785 13.5785 13.7599 13.8781 14.0284 14.0284 k = 0.2955 0.1706 0.1206 ( 4864 PWs) bands (ev): -67.3682 -67.3682 -37.1491 -37.1491 -35.9465 -35.9465 -35.9457 -35.9457 0.8421 0.8421 6.0874 6.0874 6.6534 6.7812 6.8324 6.8324 7.7411 7.7411 7.8203 8.0868 8.2816 8.2816 9.6613 9.6613 9.8290 9.9002 11.0592 11.1427 11.1427 11.2324 11.7971 11.7971 13.5708 13.5708 13.7479 13.8695 14.0224 14.0224 k = 0.3068 0.1771 0.1253 ( 4876 PWs) bands (ev): -67.3694 -67.3694 -37.1491 -37.1491 -35.9466 -35.9466 -35.9458 -35.9457 0.8971 0.8971 5.9783 5.9783 6.6395 6.7610 6.8165 6.8165 7.7391 7.7391 7.8267 8.0814 8.2855 8.2855 9.7100 9.7100 9.8807 9.9436 11.0399 11.1221 11.1221 11.2164 11.7425 11.7425 13.5594 13.5594 13.7329 13.8572 14.0155 14.0155 k = 0.3182 0.1837 0.1299 ( 4876 PWs) bands (ev): -67.3693 -67.3693 -37.1491 -37.1491 -35.9466 -35.9466 -35.9458 -35.9458 0.9526 0.9526 5.8710 5.8710 6.6265 6.7416 6.8019 6.8019 7.7383 7.7383 7.8344 8.0765 8.2899 8.2899 9.7613 9.7613 9.9349 9.9892 11.0246 11.1044 11.1044 11.2035 11.6857 11.6857 13.5493 13.5493 13.7202 13.8462 14.0086 14.0086 k = 0.3295 0.1903 0.1345 ( 4879 PWs) bands (ev): -67.3696 -67.3696 -37.1491 -37.1491 -35.9467 -35.9467 -35.9458 -35.9458 1.0081 1.0081 5.7661 5.7661 6.6143 6.7227 6.7880 6.7880 7.7385 7.7385 7.8423 8.0713 8.2947 8.2947 9.8118 9.8118 9.9879 10.0332 11.0068 11.0834 11.0834 11.1875 11.6297 11.6297 13.5384 13.5384 13.7075 13.8342 14.0017 14.0017 k = 0.3409 0.1968 0.1392 ( 4879 PWs) bands (ev): -67.3695 -67.3695 -37.1492 -37.1492 -35.9467 -35.9467 -35.9458 -35.9458 1.0635 1.0635 5.6641 5.6641 6.6030 6.7046 6.7749 6.7749 7.7395 7.7395 7.8505 8.0661 8.2996 8.2996 9.8624 9.8624 10.0408 10.0769 10.9906 11.0631 11.0631 11.1721 11.5735 11.5735 13.5272 13.5272 13.6953 13.8217 13.9949 13.9949 k = 0.3523 0.2034 0.1438 ( 4882 PWs) bands (ev): -67.3698 -67.3698 -37.1492 -37.1492 -35.9468 -35.9468 -35.9458 -35.9458 1.1182 1.1182 5.5653 5.5653 6.5926 6.6872 6.7626 6.7626 7.7408 7.7408 7.8592 8.0609 8.3044 8.3044 9.9133 9.9133 10.0935 10.1203 10.9744 11.0416 11.0416 11.1559 11.5125 11.5125 13.5163 13.5163 13.6843 13.8092 13.9876 13.9876 k = 0.3636 0.2099 0.1485 ( 4895 PWs) bands (ev): -67.3710 -67.3710 -37.1492 -37.1492 -35.9469 -35.9469 -35.9458 -35.9458 1.1719 1.1719 5.4705 5.4705 6.5828 6.6705 6.7510 6.7510 7.7429 7.7429 7.8675 8.0551 8.3094 8.3094 9.9607 9.9607 10.1425 10.1591 10.9512 11.0130 11.0130 11.1325 11.4585 11.4585 13.5042 13.5042 13.6728 13.7950 13.9809 13.9809 k = 0.3750 0.2165 0.1531 ( 4883 PWs) bands (ev): -67.3698 -67.3698 -37.1492 -37.1492 -35.9469 -35.9469 -35.9458 -35.9458 1.2244 1.2244 5.3803 5.3803 6.5745 6.6550 6.7405 6.7405 7.7456 7.7456 7.8768 8.0497 8.3151 8.3151 10.0117 10.0117 10.1946 10.2022 10.9392 10.9939 10.9939 11.1180 11.4070 11.4070 13.4939 13.4939 13.6637 13.7820 13.9752 13.9752 k = 0.3864 0.2231 0.1577 ( 4889 PWs) bands (ev): -67.3704 -67.3704 -37.1492 -37.1492 -35.9470 -35.9470 -35.9458 -35.9458 1.2748 1.2748 5.2947 5.2947 6.5670 6.6403 6.7308 6.7308 7.7479 7.7479 7.8858 8.0440 8.3197 8.3197 10.0599 10.0599 10.2418 10.2437 10.9215 10.9684 10.9684 11.0973 11.3507 11.3507 13.4829 13.4829 13.6551 13.7682 13.9680 13.9680 k = 0.3977 0.2296 0.1624 ( 4883 PWs) bands (ev): -67.3698 -67.3698 -37.1492 -37.1492 -35.9470 -35.9470 -35.9458 -35.9458 1.3231 1.3231 5.2149 5.2149 6.5604 6.6265 6.7219 6.7219 7.7511 7.7511 7.8949 8.0380 8.3253 8.3253 10.1072 10.1072 10.2804 10.2911 10.9067 10.9449 10.9449 11.0777 11.3059 11.3059 13.4728 13.4728 13.6476 13.7541 13.9634 13.9634 k = 0.4091 0.2362 0.1670 ( 4883 PWs) bands (ev): -67.3698 -67.3698 -37.1492 -37.1492 -35.9470 -35.9470 -35.9458 -35.9458 1.3684 1.3684 5.1411 5.1411 6.5549 6.6137 6.7139 6.7139 7.7539 7.7539 7.9039 8.0316 8.3303 8.3303 10.1525 10.1525 10.3169 10.3361 10.8911 10.9198 10.9198 11.0557 11.2614 11.2614 13.4630 13.4630 13.6412 13.7398 13.9584 13.9584 k = 0.4205 0.2427 0.1716 ( 4895 PWs) bands (ev): -67.3710 -67.3710 -37.1493 -37.1493 -35.9471 -35.9471 -35.9458 -35.9458 1.4102 1.4102 5.0739 5.0739 6.5502 6.6018 6.7065 6.7065 7.7564 7.7564 7.9123 8.0246 8.3344 8.3344 10.1939 10.1939 10.3495 10.3766 10.8724 10.8910 10.8910 11.0292 11.2183 11.2183 13.4530 13.4530 13.6354 13.7248 13.9531 13.9531 k = 0.4318 0.2493 0.1763 ( 4883 PWs) bands (ev): -67.3698 -67.3698 -37.1493 -37.1493 -35.9470 -35.9470 -35.9458 -35.9458 1.4482 1.4482 5.0142 5.0142 6.5469 6.5912 6.7004 6.7004 7.7594 7.7594 7.9216 8.0181 8.3394 8.3394 10.2362 10.2362 10.3843 10.4166 10.8638 10.8706 10.8706 11.0092 11.1847 11.1847 13.4456 13.4456 13.6325 13.7116 13.9503 13.9503 k = 0.4432 0.2559 0.1809 ( 4883 PWs) bands (ev): -67.3698 -67.3698 -37.1493 -37.1493 -35.9471 -35.9471 -35.9458 -35.9458 1.4815 1.4815 4.9623 4.9623 6.5445 6.5814 6.6951 6.6951 7.7617 7.7617 7.9307 8.0114 8.3435 8.3435 10.2746 10.2746 10.4150 10.4513 10.8457 10.8457 10.8521 10.9840 11.1529 11.1529 13.4387 13.4387 13.6312 13.6989 13.9470 13.9470 k = 0.4545 0.2624 0.1856 ( 4877 PWs) bands (ev): -67.3692 -67.3692 -37.1493 -37.1493 -35.9471 -35.9471 -35.9458 -35.9458 1.5096 1.5096 4.9189 4.9189 6.5434 6.5729 6.6909 6.6909 7.7638 7.7638 7.9396 8.0042 8.3469 8.3469 10.3093 10.3093 10.4449 10.4816 10.8266 10.8266 10.8471 10.9612 11.1262 11.1262 13.4329 13.4329 13.6311 13.6865 13.9443 13.9443 k = 0.4659 0.2690 0.1902 ( 4886 PWs) bands (ev): -67.3701 -67.3701 -37.1493 -37.1493 -35.9471 -35.9471 -35.9458 -35.9458 1.5320 1.5320 4.8845 4.8845 6.5431 6.5652 6.6872 6.6872 7.7652 7.7652 7.9479 7.9965 8.3491 8.3491 10.3362 10.3362 10.4680 10.5014 10.8058 10.8058 10.8431 10.9352 11.1016 11.1016 13.4278 13.4278 13.6323 13.6746 13.9413 13.9413 k = 0.4773 0.2756 0.1948 ( 4886 PWs) bands (ev): -67.3701 -67.3701 -37.1493 -37.1493 -35.9471 -35.9471 -35.9458 -35.9458 1.5484 1.5484 4.8596 4.8596 6.5440 6.5588 6.6848 6.6848 7.7664 7.7664 7.9564 7.9889 8.3511 8.3511 10.3584 10.3584 10.4893 10.5151 10.7906 10.7906 10.8460 10.9111 11.0861 11.0861 13.4243 13.4243 13.6356 13.6641 13.9398 13.9398 k = 0.4886 0.2821 0.1995 ( 4886 PWs) bands (ev): -67.3700 -67.3700 -37.1493 -37.1493 -35.9471 -35.9471 -35.9458 -35.9458 1.5584 1.5584 4.8446 4.8446 6.5460 6.5534 6.6834 6.6834 7.7671 7.7671 7.9648 7.9810 8.3523 8.3523 10.3727 10.3727 10.5060 10.5201 10.7807 10.7807 10.8550 10.8889 11.0767 11.0767 13.4222 13.4222 13.6405 13.6548 13.9389 13.9389 k = 0.5000 0.2887 0.2041 ( 4910 PWs) bands (ev): -67.3724 -67.3724 -37.1493 -37.1493 -35.9472 -35.9472 -35.9459 -35.9459 1.5616 1.5616 4.8394 4.8394 6.5490 6.5490 6.6827 6.6827 7.7667 7.7667 7.9719 7.9719 8.3512 8.3512 10.3753 10.3753 10.5145 10.5145 10.7690 10.7690 10.8610 10.8610 11.0678 11.0678 13.4199 13.4199 13.6457 13.6457 13.9361 13.9361 k = 0.5000 0.2887 0.2041 ( 4910 PWs) bands (ev): -67.3724 -67.3724 -37.1493 -37.1493 -35.9472 -35.9472 -35.9459 -35.9459 1.5616 1.5616 4.8394 4.8394 6.5490 6.5490 6.6827 6.6827 7.7667 7.7667 7.9719 7.9719 8.3512 8.3512 10.3753 10.3753 10.5145 10.5145 10.7690 10.7690 10.8610 10.8610 11.0678 11.0678 13.4199 13.4199 13.6457 13.6457 13.9361 13.9361 k = 0.5040 0.2770 0.2107 ( 4898 PWs) bands (ev): -67.3712 -67.3712 -37.1493 -37.1493 -35.9472 -35.9472 -35.9458 -35.9458 1.5616 1.5623 4.8405 4.8415 6.5494 6.5494 6.6827 6.6843 7.7654 7.7674 7.9731 7.9731 8.3501 8.3535 10.3692 10.3832 10.5156 10.5157 10.7696 10.7734 10.8643 10.8647 11.0635 11.0746 13.3785 13.4407 13.6205 13.6278 13.9170 13.9985 k = 0.5081 0.2654 0.2173 ( 4888 PWs) bands (ev): -67.3702 -67.3702 -37.1493 -37.1493 -35.9472 -35.9471 -35.9458 -35.9458 1.5621 1.5635 4.8448 4.8469 6.5500 6.5500 6.6840 6.6870 7.7632 7.7669 7.9751 7.9753 8.3489 8.3557 10.3596 10.3881 10.5136 10.5142 10.7675 10.7759 10.8665 10.8669 11.0585 11.0803 13.3174 13.4362 13.5522 13.5886 13.9427 14.0770 k = 0.5121 0.2538 0.2239 ( 4887 PWs) bands (ev): -67.3701 -67.3701 -37.1493 -37.1493 -35.9472 -35.9471 -35.9458 -35.9458 1.5633 1.5653 4.8522 4.8553 6.5509 6.5509 6.6864 6.6908 7.7599 7.7652 7.9775 7.9783 8.3475 8.3574 10.3455 10.3891 10.5069 10.5087 10.7594 10.7727 10.8649 10.8657 11.0528 11.0845 13.2403 13.3896 13.4815 13.5396 13.9897 14.1559 k = 0.5161 0.2421 0.2305 ( 4882 PWs) bands (ev): -67.3696 -67.3696 -37.1493 -37.1493 -35.9471 -35.9471 -35.9458 -35.9458 1.5651 1.5678 4.8628 4.8670 6.5521 6.5522 6.6901 6.6959 7.7562 7.7627 7.9806 7.9824 8.3468 8.3597 10.3292 10.3886 10.4984 10.5021 10.7475 10.7664 10.8612 10.8624 11.0510 11.0917 13.1524 13.2929 13.4346 13.4844 14.0443 14.2297 k = 0.5202 0.2305 0.2370 ( 4886 PWs) bands (ev): -67.3700 -67.3700 -37.1493 -37.1493 -35.9472 -35.9471 -35.9458 -35.9458 1.5673 1.5707 4.8766 4.8818 6.5536 6.5538 6.6949 6.7018 7.7515 7.7590 7.9839 7.9872 8.3455 8.3611 10.3074 10.3836 10.4863 10.4930 10.7322 10.7569 10.8553 10.8575 11.0452 11.0938 13.0554 13.1749 13.3892 13.4233 14.0983 14.2938 k = 0.5242 0.2188 0.2436 ( 4882 PWs) bands (ev): -67.3696 -67.3696 -37.1493 -37.1493 -35.9472 -35.9470 -35.9458 -35.9458 1.5702 1.5742 4.8935 4.8997 6.5554 6.5559 6.7011 6.7089 7.7465 7.7547 7.9880 7.9933 8.3449 8.3626 10.2824 10.3759 10.4744 10.4848 10.7181 10.7484 10.8512 10.8550 11.0399 11.0953 12.9537 13.0508 13.3383 13.3582 14.1497 14.3473 k = 0.5282 0.2072 0.2502 ( 4882 PWs) bands (ev): -67.3696 -67.3696 -37.1493 -37.1493 -35.9472 -35.9470 -35.9458 -35.9458 1.5735 1.5782 4.9135 4.9208 6.5575 6.5582 6.7084 6.7168 7.7412 7.7497 7.9921 8.0000 8.3445 8.3639 10.2527 10.3632 10.4616 10.4750 10.6985 10.7371 10.8452 10.8493 11.0346 11.0955 12.8487 12.9246 13.2803 13.2883 14.1962 14.3887 k = 0.5323 0.1956 0.2568 ( 4876 PWs) bands (ev): -67.3690 -67.3690 -37.1493 -37.1493 -35.9472 -35.9470 -35.9458 -35.9458 1.5774 1.5826 4.9366 4.9450 6.5598 6.5609 6.7170 6.7257 7.7357 7.7445 7.9966 8.0074 8.3447 8.3651 10.2190 10.3452 10.4514 10.4666 10.6786 10.7260 10.8403 10.8445 11.0299 11.0951 12.7426 12.7988 13.2157 13.2172 14.2369 14.4184 k = 0.5363 0.1839 0.2634 ( 4881 PWs) bands (ev): -67.3695 -67.3694 -37.1493 -37.1493 -35.9472 -35.9470 -35.9459 -35.9459 1.5817 1.5875 4.9628 4.9722 6.5622 6.5637 6.7264 6.7351 7.7298 7.7388 8.0005 8.0147 8.3451 8.3657 10.1783 10.3186 10.4389 10.4542 10.6536 10.7112 10.8330 10.8360 11.0239 11.0927 12.6365 12.6746 13.1387 13.1481 14.2703 14.4364 k = 0.5403 0.1723 0.2700 ( 4889 PWs) bands (ev): -67.3702 -67.3702 -37.1494 -37.1493 -35.9472 -35.9470 -35.9459 -35.9459 1.5865 1.5928 4.9920 5.0024 6.5645 6.5666 6.7369 6.7451 7.7239 7.7330 8.0042 8.0220 8.3461 8.3659 10.1315 10.2849 10.4282 10.4419 10.6234 10.6943 10.8249 10.8256 11.0178 11.0889 12.5312 12.5531 13.0595 13.0754 14.2960 14.4436 k = 0.5444 0.1606 0.2766 ( 4887 PWs) bands (ev): -67.3700 -67.3700 -37.1494 -37.1493 -35.9472 -35.9470 -35.9459 -35.9459 1.5917 1.5984 5.0241 5.0357 6.5671 6.5699 6.7487 6.7561 7.7181 7.7274 8.0083 8.0303 8.3482 8.3664 10.0835 10.2493 10.4208 10.4322 10.5923 10.6762 10.8127 10.8177 11.0122 11.0854 12.4315 12.4390 12.9794 13.0007 14.3150 14.4429 k = 0.5484 0.1490 0.2831 ( 4892 PWs) bands (ev): -67.3705 -67.3705 -37.1494 -37.1493 -35.9472 -35.9470 -35.9460 -35.9460 1.5972 1.6044 5.0592 5.0719 6.5697 6.5731 6.7611 6.7672 7.7123 7.7220 8.0114 8.0377 8.3510 8.3661 10.0283 10.2062 10.4109 10.4193 10.5600 10.6571 10.7992 10.8099 11.0051 11.0800 12.3304 12.3355 12.8969 12.9230 14.3264 14.4349 k = 0.5524 0.1374 0.2897 ( 4889 PWs) bands (ev): -67.3702 -67.3702 -37.1494 -37.1493 -35.9472 -35.9470 -35.9460 -35.9460 1.6030 1.6107 5.0972 5.1110 6.5721 6.5765 6.7747 6.7789 7.7068 7.7172 8.0144 8.0450 8.3551 8.3656 9.9685 10.1582 10.4036 10.4087 10.5282 10.6386 10.7861 10.8037 10.9994 11.0754 12.2300 12.2462 12.8148 12.8450 14.3314 14.4217 k = 0.5565 0.1257 0.2963 ( 4887 PWs) bands (ev): -67.3700 -67.3700 -37.1494 -37.1493 -35.9472 -35.9470 -35.9460 -35.9460 1.6091 1.6171 5.1380 5.1530 6.5743 6.5798 6.7891 6.7909 7.7014 7.7129 8.0165 8.0514 8.3604 8.3646 9.9027 10.1045 10.3965 10.3982 10.4961 10.6189 10.7714 10.7972 10.9934 11.0707 12.1375 12.1631 12.7322 12.7663 14.3302 14.4041 k = 0.5605 0.1141 0.3029 ( 4893 PWs) bands (ev): -67.3706 -67.3706 -37.1494 -37.1493 -35.9472 -35.9470 -35.9461 -35.9461 1.6154 1.6238 5.1815 5.1977 6.5762 6.5828 6.8028 6.8041 7.6960 7.7092 8.0176 8.0565 8.3631 8.3669 9.8320 10.0462 10.3833 10.3844 10.4621 10.5957 10.7540 10.7895 10.9864 11.0651 12.0526 12.0855 12.6480 12.6858 14.3238 14.3832 k = 0.5645 0.1024 0.3095 ( 4898 PWs) bands (ev): -67.3711 -67.3711 -37.1494 -37.1493 -35.9473 -35.9470 -35.9461 -35.9461 1.6218 1.6305 5.2275 5.2450 6.5777 6.5856 6.8149 6.8199 7.6907 7.7065 8.0178 8.0603 8.3612 8.3750 9.7562 9.9829 10.3693 10.3725 10.4296 10.5718 10.7363 10.7826 10.9798 11.0599 11.9750 12.0138 12.5648 12.6061 14.3124 14.3595 k = 0.5685 0.0908 0.3161 ( 4898 PWs) bands (ev): -67.3711 -67.3711 -37.1494 -37.1493 -35.9473 -35.9469 -35.9461 -35.9461 1.6283 1.6373 5.2761 5.2950 6.5789 6.5883 6.8270 6.8363 7.6856 7.7049 8.0170 8.0628 8.3592 8.3849 9.6777 9.9173 10.3542 10.3581 10.4021 10.5484 10.7190 10.7761 10.9742 11.0562 11.9083 11.9513 12.4820 12.5267 14.2981 14.3349 k = 0.5726 0.0792 0.3226 ( 4894 PWs) bands (ev): -67.3707 -67.3707 -37.1494 -37.1493 -35.9472 -35.9469 -35.9462 -35.9461 1.6348 1.6440 5.3270 5.3474 6.5795 6.5906 6.8392 6.8535 7.6807 7.7044 8.0152 8.0637 8.3570 8.3968 9.5958 9.8488 10.3411 10.3415 10.3798 10.5247 10.7024 10.7709 10.9686 11.0526 11.8498 11.8956 12.4019 12.4499 14.2801 14.3081 k = 0.5766 0.0675 0.3292 ( 4889 PWs) bands (ev): -67.3702 -67.3702 -37.1494 -37.1493 -35.9472 -35.9469 -35.9462 -35.9462 1.6413 1.6506 5.3801 5.4021 6.5795 6.5924 6.8514 6.8711 7.6757 7.7052 8.0119 8.0624 8.3548 8.4103 9.5120 9.7790 10.3211 10.3285 10.3640 10.5004 10.6852 10.7650 10.9631 11.0493 11.7993 11.8466 12.3237 12.3749 14.2598 14.2807 k = 0.5806 0.0559 0.3358 ( 4887 PWs) bands (ev): -67.3700 -67.3699 -37.1494 -37.1493 -35.9472 -35.9469 -35.9462 -35.9462 1.6475 1.6571 5.4351 5.4589 6.5788 6.5937 6.8633 6.8891 7.6705 7.7070 8.0069 8.0589 8.3521 8.4251 9.4266 9.7087 10.2980 10.3134 10.3501 10.4757 10.6680 10.7584 10.9573 11.0459 11.7566 11.8043 12.2463 12.3005 14.2363 14.2514 k = 0.5847 0.0442 0.3424 ( 4883 PWs) bands (ev): -67.3696 -67.3695 -37.1494 -37.1493 -35.9472 -35.9469 -35.9462 -35.9462 1.6536 1.6632 5.4918 5.5176 6.5772 6.5944 6.8752 6.9075 7.6652 7.7103 8.0005 8.0531 8.3496 8.4416 9.3414 9.6394 10.2757 10.2991 10.3386 10.4515 10.6509 10.7513 10.9514 11.0423 11.7206 11.7678 12.1720 12.2291 14.2105 14.2210 k = 0.5887 0.0326 0.3490 ( 4881 PWs) bands (ev): -67.3693 -67.3693 -37.1495 -37.1493 -35.9472 -35.9468 -35.9462 -35.9462 1.6593 1.6690 5.5499 5.5781 6.5745 6.5944 6.8868 6.9258 7.6594 7.7149 7.9923 8.0441 8.3473 8.4596 9.2571 9.5710 10.2555 10.2829 10.3260 10.4283 10.6338 10.7438 10.9465 11.0398 11.6892 11.7355 12.0993 12.1592 14.1832 14.1901 k = 0.5927 0.0210 0.3556 ( 4883 PWs) bands (ev): -67.3695 -67.3695 -37.1495 -37.1493 -35.9472 -35.9468 -35.9463 -35.9462 1.6645 1.6743 5.6090 5.6398 6.5707 6.5936 6.8984 6.9444 7.6529 7.7208 7.9830 8.0324 8.3449 8.4782 9.1754 9.5055 10.2353 10.2672 10.3143 10.4041 10.6156 10.7339 10.9407 11.0360 11.6612 11.7060 12.0303 12.0926 14.1530 14.1570 k = 0.5968 0.0093 0.3622 ( 4879 PWs) bands (ev): -67.3691 -67.3691 -37.1495 -37.1493 -35.9472 -35.9468 -35.9463 -35.9463 1.6693 1.6790 5.6686 5.7025 6.5659 6.5923 6.9101 6.9630 7.6462 7.7281 7.9728 8.0178 8.3434 8.4980 9.0982 9.4441 10.2176 10.2504 10.3025 10.3819 10.6011 10.7259 10.9358 11.0323 11.6400 11.6826 11.9659 12.0301 14.1219 14.1238 k = 0.6008-0.0023 0.3687 ( 4879 PWs) bands (ev): -67.3691 -67.3691 -37.1495 -37.1493 -35.9472 -35.9468 -35.9463 -35.9463 1.6734 1.6831 5.7282 5.7657 6.5597 6.5902 6.9220 6.9814 7.6389 7.7367 7.9621 8.0000 8.3420 8.5180 9.0261 9.3868 10.2012 10.2324 10.2897 10.3600 10.5859 10.7155 10.9311 11.0281 11.6218 11.6618 11.9051 11.9705 14.0888 14.0889 k = 0.6048-0.0140 0.3753 ( 4877 PWs) bands (ev): -67.3689 -67.3689 -37.1495 -37.1493 -35.9472 -35.9468 -35.9463 -35.9463 1.6768 1.6864 5.7870 5.8288 6.5524 6.5877 6.9342 6.9996 7.6314 7.7467 7.9514 7.9793 8.3415 8.5378 8.9615 9.3344 10.1867 10.2131 10.2759 10.3389 10.5718 10.7044 10.9289 11.0254 11.6076 11.6443 11.8487 11.9146 14.0548 14.0560 k = 0.6089-0.0256 0.3819 ( 4889 PWs) bands (ev): -67.3701 -67.3701 -37.1495 -37.1494 -35.9472 -35.9469 -35.9463 -35.9463 1.6792 1.6888 5.8440 5.8909 6.5438 6.5849 6.9469 7.0174 7.6236 7.7576 7.9410 7.9554 8.3406 8.5557 8.9042 9.2862 10.1704 10.1910 10.2595 10.3152 10.5575 10.6911 10.9241 11.0196 11.5925 11.6253 11.7959 11.8612 14.0164 14.0184 k = 0.6129-0.0372 0.3885 ( 4896 PWs) bands (ev): -67.3708 -67.3708 -37.1495 -37.1494 -35.9473 -35.9469 -35.9464 -35.9464 1.6808 1.6902 5.8982 5.9509 6.5346 6.5825 6.9607 7.0350 7.6166 7.7695 7.9298 7.9320 8.3405 8.5710 8.8576 9.2436 10.1550 10.1676 10.2429 10.2929 10.5454 10.6779 10.9230 11.0161 11.5815 11.6095 11.7494 11.8126 13.9789 13.9816 k = 0.6169-0.0489 0.3951 ( 4894 PWs) bands (ev): -67.3706 -67.3706 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9464 1.6812 1.6905 5.9482 6.0074 6.5257 6.5812 6.9760 7.0526 7.6111 7.7819 7.9036 7.9248 8.3412 8.5820 8.8241 9.2071 10.1403 10.1426 10.2267 10.2735 10.5366 10.6654 10.9265 11.0155 11.5765 11.5977 11.7112 11.7694 13.9427 13.9458 k = 0.6210-0.0605 0.4017 ( 4894 PWs) bands (ev): -67.3706 -67.3706 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9464 1.6805 1.6896 5.9922 6.0581 6.5185 6.5821 6.9931 7.0701 7.6075 7.7927 7.8791 7.9194 8.3418 8.5851 8.8051 9.1757 10.1152 10.1232 10.2109 10.2539 10.5293 10.6524 10.9315 11.0152 11.5744 11.5855 11.6817 11.7309 13.9052 13.9087 k = 0.6250-0.0722 0.4082 ( 4882 PWs) bands (ev): -67.3694 -67.3694 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6785 1.6874 6.0284 6.1004 6.5154 6.5863 7.0128 7.0882 7.6070 7.7968 7.8630 7.9161 8.3433 8.5804 8.8017 9.1499 10.0857 10.1039 10.1978 10.2375 10.5280 10.6430 10.9408 11.0182 11.5753 11.5778 11.6646 11.7002 13.8695 13.8732 k = 0.6250-0.0722 0.4082 ( 4882 PWs) bands (ev): -67.3694 -67.3694 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6785 1.6874 6.0284 6.1004 6.5154 6.5863 7.0128 7.0882 7.6070 7.7968 7.8630 7.9161 8.3433 8.5804 8.8017 9.1499 10.0857 10.1039 10.1978 10.2375 10.5280 10.6430 10.9408 11.0182 11.5753 11.5778 11.6646 11.7002 13.8695 13.8732 k = 0.6181-0.0682 0.4196 ( 4898 PWs) bands (ev): -67.3710 -67.3710 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9464 1.6786 1.6875 6.0295 6.1015 6.5150 6.5863 7.0110 7.0861 7.6073 7.7966 7.8606 7.9191 8.3436 8.5802 8.8012 9.1487 10.0447 10.1228 10.1794 10.2588 10.5242 10.6399 10.9372 11.0154 11.5600 11.5802 11.6574 11.7004 13.8751 13.8819 k = 0.6111-0.0642 0.4309 ( 4893 PWs) bands (ev): -67.3705 -67.3705 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6793 1.6883 6.0331 6.1054 6.5147 6.5872 7.0063 7.0802 7.6096 7.7973 7.8568 7.9274 8.3476 8.5822 8.8020 9.1481 9.9928 10.0928 10.1998 10.2927 10.5244 10.6400 10.9402 11.0192 11.5460 11.5823 11.6535 11.7089 13.9047 13.9164 k = 0.6042-0.0601 0.4423 ( 4889 PWs) bands (ev): -67.3701 -67.3701 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6805 1.6894 6.0391 6.1119 6.5142 6.5886 6.9984 7.0706 7.6133 7.7974 7.8537 7.9378 8.3537 8.5853 8.8027 9.1473 9.9369 10.0369 10.2348 10.3228 10.5236 10.6395 10.9442 11.0240 11.5326 11.5758 11.6532 11.7166 13.9521 13.9682 k = 0.5972-0.0561 0.4536 ( 4889 PWs) bands (ev): -67.3701 -67.3701 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6820 1.6910 6.0473 6.1209 6.5137 6.5905 6.9873 7.0575 7.6184 7.7963 7.8532 7.9485 8.3620 8.5893 8.8034 9.1456 9.8782 9.9721 10.2673 10.3481 10.5209 10.6368 10.9483 11.0290 11.5173 11.5607 11.6565 11.7232 14.0173 14.0372 k = 0.5903-0.0521 0.4649 ( 4888 PWs) bands (ev): -67.3700 -67.3700 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6840 1.6930 6.0578 6.1324 6.5129 6.5927 6.9732 7.0415 7.6253 7.7941 7.8558 7.9581 8.3733 8.5946 8.8042 9.1432 9.8179 9.9022 10.2972 10.3702 10.5184 10.6340 10.9536 11.0348 11.5021 11.5405 11.6610 11.7277 14.1001 14.1229 k = 0.5833-0.0481 0.4763 ( 4882 PWs) bands (ev): -67.3694 -67.3694 -37.1495 -37.1494 -35.9472 -35.9469 -35.9465 -35.9463 1.6863 1.6953 6.0706 6.1465 6.5122 6.5954 6.9560 7.0228 7.6339 7.7915 7.8607 7.9660 8.3876 8.6011 8.8044 9.1402 9.7575 9.8299 10.3248 10.3903 10.5162 10.6313 10.9631 11.0434 11.4906 11.5215 11.6648 11.7298 14.1971 14.2219 k = 0.5764-0.0441 0.4876 ( 4889 PWs) bands (ev): -67.3701 -67.3701 -37.1495 -37.1494 -35.9472 -35.9469 -35.9465 -35.9463 1.6889 1.6980 6.0852 6.1629 6.5110 6.5979 6.9358 7.0019 7.6439 7.7890 7.8662 7.9712 8.4044 8.6080 8.8042 9.1347 9.6977 9.7556 10.3463 10.4046 10.5114 10.6254 10.9685 11.0483 11.4746 11.4970 11.6648 11.7277 14.3078 14.3336 k = 0.5694-0.0401 0.4990 ( 4887 PWs) bands (ev): -67.3699 -67.3698 -37.1495 -37.1494 -35.9472 -35.9469 -35.9465 -35.9463 1.6918 1.7009 6.1019 6.1817 6.5099 6.6009 6.9130 6.9796 7.6557 7.7874 7.8721 7.9737 8.4243 8.6160 8.8035 9.1276 9.6399 9.6831 10.3668 10.4193 10.5082 10.6201 10.9760 11.0548 11.4599 11.4756 11.6682 11.7287 14.4313 14.4574 k = 0.5625-0.0361 0.5103 ( 4883 PWs) bands (ev): -67.3695 -67.3694 -37.1495 -37.1494 -35.9472 -35.9469 -35.9465 -35.9463 1.6948 1.7040 6.1203 6.2029 6.5086 6.6040 6.8876 6.9564 7.6692 7.7871 7.8774 7.9730 8.4470 8.6248 8.8018 9.1179 9.5829 9.6160 10.3841 10.4325 10.5066 10.6153 10.9833 11.0605 11.4442 11.4603 11.6707 11.7285 14.5643 14.5900 k = 0.5556-0.0321 0.5217 ( 4889 PWs) bands (ev): -67.3700 -67.3700 -37.1495 -37.1494 -35.9472 -35.9469 -35.9466 -35.9463 1.6980 1.7072 6.1402 6.2262 6.5068 6.6068 6.8597 6.9326 7.6839 7.7878 7.8812 7.9690 8.4715 8.6337 8.7985 9.1041 9.5240 9.5596 10.3972 10.4426 10.5014 10.6059 10.9885 11.0646 11.4239 11.4480 11.6690 11.7241 14.7048 14.7299 k = 0.5486-0.0281 0.5330 ( 4887 PWs) bands (ev): -67.3698 -67.3698 -37.1495 -37.1494 -35.9472 -35.9468 -35.9466 -35.9463 1.7012 1.7105 6.1614 6.2516 6.5045 6.6095 6.8298 6.9091 7.7002 7.7899 7.8835 7.9619 8.4978 8.6435 8.7938 9.0868 9.4662 9.5157 10.4094 10.4542 10.4981 10.5966 10.9970 11.0718 11.4061 11.4409 11.6678 11.7206 14.8511 14.8754 k = 0.5417-0.0241 0.5443 ( 4891 PWs) bands (ev): -67.3702 -67.3702 -37.1495 -37.1494 -35.9472 -35.9469 -35.9466 -35.9463 1.7043 1.7137 6.1834 6.2789 6.5014 6.6113 6.7985 6.8866 7.7176 7.7930 7.8840 7.9517 8.5251 8.6534 8.7875 9.0636 9.4143 9.4812 10.4168 10.4637 10.4963 10.5866 11.0007 11.0760 11.3868 11.4332 11.6653 11.7158 15.0017 15.0251 k = 0.5347-0.0200 0.5557 ( 4893 PWs) bands (ev): -67.3704 -67.3704 -37.1495 -37.1494 -35.9472 -35.9468 -35.9466 -35.9463 1.7073 1.7167 6.2059 6.3078 6.4972 6.6117 6.7665 6.8658 7.7361 7.7972 7.8825 7.9386 8.5524 8.6637 8.7805 9.0360 9.3718 9.4548 10.4210 10.4727 10.4968 10.5770 11.0050 11.0809 11.3710 11.4280 11.6614 11.7100 15.1542 15.1771 k = 0.5278-0.0160 0.5670 ( 4889 PWs) bands (ev): -67.3700 -67.3700 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7100 1.7195 6.2281 6.3381 6.4919 6.6096 6.7359 6.8477 7.7558 7.8024 7.8793 7.9231 8.5785 8.6745 8.7730 9.0051 9.3398 9.4355 10.4247 10.4822 10.5003 10.5687 11.0084 11.0858 11.3588 11.4254 11.6604 11.7072 15.3068 15.3295 k = 0.5208-0.0120 0.5784 ( 4898 PWs) bands (ev): -67.3709 -67.3708 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7123 1.7218 6.2490 6.3688 6.4857 6.6023 6.7092 6.8326 7.7755 7.8080 7.8738 7.9052 8.6004 8.6858 8.7649 8.9732 9.3171 9.4219 10.4241 10.4875 10.5034 10.5555 11.0076 11.0870 11.3461 11.4210 11.6554 11.7011 15.4532 15.4767 k = 0.5139-0.0080 0.5897 ( 4900 PWs) bands (ev): -67.3711 -67.3711 -37.1496 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7141 1.7237 6.2672 6.3985 6.4797 6.5876 6.6908 6.8216 7.7957 7.8141 7.8673 7.8862 8.6168 8.6989 8.7567 8.9455 9.3030 9.4134 10.4244 10.4924 10.5087 10.5454 11.0082 11.0891 11.3376 11.4184 11.6530 11.6978 15.5881 15.6138 k = 0.5069-0.0040 0.6010 ( 4898 PWs) bands (ev): -67.3709 -67.3709 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7153 1.7249 6.2803 6.4227 6.4761 6.5682 6.6818 6.8150 7.8149 7.8198 7.8610 7.8679 8.6260 8.7141 8.7468 8.9268 9.2956 9.4090 10.4242 10.4974 10.5137 10.5378 11.0094 11.0913 11.3337 11.4182 11.6519 11.6961 15.6966 15.7258 k = 0.5000 0.0000 0.6124 ( 4888 PWs) bands (ev): -67.3699 -67.3699 -37.1495 -37.1494 -35.9471 -35.9468 -35.9467 -35.9463 1.7157 1.7254 6.2853 6.4331 6.4758 6.5573 6.6797 6.8132 7.8227 7.8260 7.8576 7.8584 8.6291 8.7269 8.7371 8.9206 9.2936 9.4078 10.4273 10.5015 10.5167 10.5381 11.0115 11.0938 11.3347 11.4204 11.6541 11.6982 15.7430 15.7748 k = 0.5000 0.0000 0.6124 ( 4888 PWs) bands (ev): -67.3699 -67.3699 -37.1495 -37.1494 -35.9471 -35.9468 -35.9467 -35.9463 1.7157 1.7254 6.2853 6.4331 6.4758 6.5573 6.6797 6.8132 7.8227 7.8260 7.8576 7.8584 8.6291 8.7269 8.7371 8.9206 9.2936 9.4078 10.4273 10.5015 10.5167 10.5381 11.0115 11.0938 11.3347 11.4204 11.6541 11.6982 15.7430 15.7748 k = 0.5000 0.0080 0.6010 ( 4898 PWs) bands (ev): -67.3709 -67.3709 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7154 1.7250 6.2751 6.4123 6.4762 6.5766 6.6806 6.8157 7.8096 7.8194 7.8605 7.8747 8.6252 8.7205 8.7391 8.9319 9.2980 9.4107 10.4246 10.4968 10.5150 10.5392 11.0095 11.0911 11.3346 11.4180 11.6530 11.6975 15.7403 15.7721 k = 0.5000 0.0160 0.5897 ( 4902 PWs) bands (ev): -67.3713 -67.3713 -37.1496 -37.1494 -35.9472 -35.9468 -35.9468 -35.9463 1.7144 1.7241 6.2473 6.3640 6.4841 6.6104 6.6851 6.8234 7.7859 7.8106 7.8691 7.9013 8.6151 8.7000 8.7529 8.9617 9.3115 9.4197 10.4225 10.4913 10.5168 10.5466 11.0066 11.0857 11.3443 11.4208 11.6558 11.7015 15.7368 15.7689 k = 0.5000 0.0241 0.5784 ( 4898 PWs) bands (ev): -67.3709 -67.3708 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7129 1.7226 6.2073 6.3052 6.4955 6.6366 6.6986 6.8353 7.7631 7.8003 7.8801 7.9290 8.5996 8.6751 8.7764 9.0029 9.3338 9.4346 10.4238 10.4870 10.5219 10.5594 11.0051 11.0811 11.3607 11.4268 11.6634 11.7111 15.7315 15.7644 k = 0.5000 0.0321 0.5670 ( 4892 PWs) bands (ev): -67.3703 -67.3702 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7108 1.7205 6.1591 6.2418 6.5066 6.6488 6.7229 6.8495 7.7426 7.7896 7.8925 7.9562 8.5785 8.6511 8.8082 9.0510 9.3639 9.4551 10.4226 10.4851 10.5284 10.5728 11.0015 11.0746 11.3843 11.4376 11.6753 11.7249 15.7249 15.7597 k = 0.5000 0.0401 0.5557 ( 4892 PWs) bands (ev): -67.3703 -67.3702 -37.1495 -37.1494 -35.9472 -35.9468 -35.9467 -35.9463 1.7080 1.7177 6.1052 6.1757 6.5164 6.6529 6.7505 6.8645 7.7241 7.7785 7.9053 7.9812 8.5521 8.6302 8.8470 9.1039 9.4009 9.4806 10.4212 10.4827 10.5348 10.5858 10.9978 11.0686 11.4079 11.4470 11.6893 11.7408 15.7125 15.7516 k = 0.5000 0.0481 0.5443 ( 4884 PWs) bands (ev): -67.3695 -67.3695 -37.1495 -37.1494 -35.9471 -35.9468 -35.9466 -35.9463 1.7047 1.7145 6.0473 6.1082 6.5248 6.6542 6.7758 6.8791 7.7086 7.7679 7.9192 8.0043 8.5235 8.6120 8.8934 9.1616 9.4439 9.5114 10.4217 10.4840 10.5441 10.6010 10.9949 11.0646 11.4364 11.4611 11.7089 11.7617 15.6965 15.7438 k = 0.5000 0.0561 0.5330 ( 4884 PWs) bands (ev): -67.3695 -67.3695 -37.1495 -37.1494 -35.9471 -35.9468 -35.9466 -35.9463 1.7009 1.7107 5.9867 6.0398 6.5316 6.6543 6.7967 6.8921 7.6955 7.7574 7.9333 8.0244 8.4939 8.5949 8.9462 9.2228 9.4910 9.5471 10.4206 10.4851 10.5526 10.6149 10.9898 11.0590 11.4646 11.4752 11.7311 11.7843 15.6730 15.7337 k = 0.5000 0.0642 0.5217 ( 4888 PWs) bands (ev): -67.3700 -67.3699 -37.1495 -37.1494 -35.9472 -35.9468 -35.9466 -35.9463 1.6965 1.7064 5.9243 5.9711 6.5373 6.6536 6.8128 6.9026 7.6850 7.7476 7.9476 8.0414 8.4650 8.5784 9.0052 9.2873 9.5405 9.5880 10.4181 10.4869 10.5613 10.6291 10.9839 11.0532 11.4891 11.4957 11.7563 11.8080 15.6416 15.7222 k = 0.5000 0.0722 0.5103 ( 4892 PWs) bands (ev): -67.3704 -67.3703 -37.1495 -37.1494 -35.9472 -35.9468 -35.9466 -35.9463 1.6917 1.7016 5.8609 5.9026 6.5419 6.6527 6.8244 6.9106 7.6766 7.7385 7.9618 8.0554 8.4377 8.5620 9.0692 9.3547 9.5908 9.6352 10.4185 10.4905 10.5713 10.6427 10.9774 11.0474 11.5069 11.5251 11.7880 11.8371 15.6013 15.7081 k = 0.5000 0.0802 0.4990 ( 4888 PWs) bands (ev): -67.3700 -67.3700 -37.1495 -37.1493 -35.9472 -35.9468 -35.9465 -35.9462 1.6865 1.6964 5.7972 5.8347 6.5460 6.6514 6.8319 6.9155 7.6708 7.7305 7.9759 8.0667 8.4130 8.5459 9.1379 9.4253 9.6408 9.6891 10.4213 10.4967 10.5833 10.6576 10.9754 11.0463 11.5282 11.5576 11.8270 11.8722 15.5526 15.6898 k = 0.5000 0.0882 0.4876 ( 4890 PWs) bands (ev): -67.3702 -67.3702 -37.1495 -37.1493 -35.9472 -35.9468 -35.9465 -35.9462 1.6809 1.6908 5.7336 5.7676 6.5493 6.6497 6.8357 6.9173 7.6668 7.7233 7.9892 8.0750 8.3909 8.5299 9.2092 9.4973 9.6904 9.7479 10.4244 10.5028 10.5946 10.6710 10.9720 11.0438 11.5509 11.5901 11.8702 11.9108 15.4953 15.6585 k = 0.5000 0.0962 0.4763 ( 4892 PWs) bands (ev): -67.3704 -67.3704 -37.1495 -37.1493 -35.9472 -35.9468 -35.9464 -35.9462 1.6749 1.6848 5.6707 5.7017 6.5520 6.6474 6.8365 6.9161 7.6645 7.7173 8.0015 8.0805 8.3719 8.5140 9.2823 9.5698 9.7406 9.8096 10.4296 10.5104 10.6071 10.6844 10.9695 11.0421 11.5773 11.6246 11.9172 11.9533 15.4314 15.6077 k = 0.5000 0.1042 0.4649 ( 4882 PWs) bands (ev): -67.3694 -67.3694 -37.1495 -37.1493 -35.9472 -35.9468 -35.9464 -35.9462 1.6687 1.6786 5.6088 5.6373 6.5545 6.6448 6.8349 6.9124 7.6641 7.7126 8.0129 8.0840 8.3569 8.4988 9.3572 9.6433 9.7935 9.8744 10.4392 10.5215 10.6222 10.6991 10.9715 11.0448 11.6101 11.6640 11.9713 12.0043 15.3632 15.5424 k = 0.5000 0.1123 0.4536 ( 4892 PWs) bands (ev): -67.3704 -67.3704 -37.1495 -37.1493 -35.9472 -35.9469 -35.9464 -35.9462 1.6623 1.6720 5.5480 5.5744 6.5562 6.6413 6.8310 6.9057 7.6645 7.7084 8.0220 8.0845 8.3443 8.4834 9.4307 9.7137 9.8473 9.9376 10.4448 10.5283 10.6345 10.7103 10.9686 11.0423 11.6418 11.7012 12.0252 12.0576 15.2902 15.4694 k = 0.5000 0.1203 0.4423 ( 4886 PWs) bands (ev): -67.3698 -67.3698 -37.1495 -37.1493 -35.9472 -35.9469 -35.9463 -35.9462 1.6557 1.6654 5.4890 5.5134 6.5577 6.6376 6.8256 6.8971 7.6665 7.7059 8.0299 8.0831 8.3359 8.4692 9.5040 9.7820 9.9044 10.0002 10.4580 10.5403 10.6516 10.7240 10.9699 11.0441 11.6841 11.7469 12.0846 12.1193 15.2153 15.3942 k = 0.5000 0.1283 0.4309 ( 4886 PWs) bands (ev): -67.3698 -67.3698 -37.1494 -37.1493 -35.9472 -35.9469 -35.9463 -35.9461 1.6489 1.6585 5.4317 5.4544 6.5588 6.6332 6.8189 6.8867 7.6693 7.7041 8.0358 8.0798 8.3301 8.4554 9.5755 9.8461 9.9643 10.0609 10.4695 10.5503 10.6671 10.7357 10.9711 11.0455 11.7298 11.7946 12.1476 12.1873 15.1385 15.3178 k = 0.5000 0.1363 0.4196 ( 4892 PWs) bands (ev): -67.3704 -67.3704 -37.1494 -37.1493 -35.9472 -35.9469 -35.9463 -35.9461 1.6421 1.6515 5.3763 5.3975 6.5597 6.6282 6.8110 6.8745 7.6730 7.7032 8.0396 8.0744 8.3269 8.4422 9.6452 9.9062 10.0246 10.1147 10.4800 10.5596 10.6821 10.7469 10.9724 11.0468 11.7793 11.8446 12.2146 12.2604 15.0613 15.2415 k = 0.5000 0.1443 0.4082 ( 4902 PWs) bands (ev): -67.3714 -67.3714 -37.1495 -37.1493 -35.9473 -35.9469 -35.9462 -35.9461 1.6353 1.6445 5.3232 5.3429 6.5600 6.6227 6.8024 6.8613 7.6772 7.7031 8.0414 8.0681 8.3253 8.4297 9.7108 9.9606 10.0852 10.1657 10.4910 10.5685 10.6967 10.7563 10.9748 11.0494 11.8362 11.8994 12.2821 12.3351 14.9831 15.1654 k = 0.5000 0.1524 0.3969 ( 4896 PWs) bands (ev): -67.3709 -67.3708 -37.1494 -37.1493 -35.9472 -35.9469 -35.9462 -35.9461 1.6285 1.6374 5.2724 5.2907 6.5603 6.6170 6.7937 6.8475 7.6824 7.7043 8.0423 8.0617 8.3261 8.4189 9.7758 10.0132 10.1462 10.2140 10.5077 10.5818 10.7149 10.7696 10.9790 11.0535 11.9051 11.9641 12.3578 12.4177 14.9062 15.0909 k = 0.5000 0.1604 0.3856 ( 4892 PWs) bands (ev): -67.3705 -67.3704 -37.1494 -37.1493 -35.9472 -35.9469 -35.9461 -35.9461 1.6218 1.6305 5.2240 5.2411 6.5604 6.6110 6.7846 6.8332 7.6880 7.7063 8.0415 8.0546 8.3278 8.4089 9.8381 10.0629 10.2039 10.2570 10.5246 10.5949 10.7318 10.7816 10.9843 11.0587 11.9812 12.0336 12.4368 12.5033 14.8300 15.0179 k = 0.5000 0.1684 0.3742 ( 4894 PWs) bands (ev): -67.3707 -67.3706 -37.1494 -37.1493 -35.9472 -35.9470 -35.9461 -35.9460 1.6152 1.6236 5.1782 5.1941 6.5602 6.6048 6.7752 6.8186 7.6939 7.7088 8.0393 8.0471 8.3298 8.3999 9.8973 10.1099 10.2556 10.2938 10.5405 10.6070 10.7458 10.7924 10.9887 11.0630 12.0634 12.1071 12.5193 12.5919 14.7549 14.9463 k = 0.5000 0.1764 0.3629 ( 4892 PWs) bands (ev): -67.3705 -67.3705 -37.1494 -37.1493 -35.9472 -35.9470 -35.9461 -35.9460 1.6089 1.6169 5.1350 5.1497 6.5598 6.5985 6.7659 6.8040 7.7001 7.7123 8.0360 8.0398 8.3322 8.3922 9.9531 10.1535 10.3012 10.3271 10.5597 10.6217 10.7607 10.8037 10.9946 11.0688 12.1544 12.1872 12.6043 12.6825 14.6812 14.8767 k = 0.5000 0.1844 0.3515 ( 4888 PWs) bands (ev): -67.3701 -67.3701 -37.1494 -37.1493 -35.9472 -35.9470 -35.9460 -35.9460 1.6028 1.6104 5.0946 5.1082 6.5594 6.5924 6.7566 6.7897 7.7065 7.7165 8.0318 8.0325 8.3347 8.3856 10.0065 10.1951 10.3392 10.3570 10.5811 10.6376 10.7751 10.8144 11.0011 11.0750 12.2524 12.2732 12.6926 12.7755 14.6095 14.8093 k = 0.5000 0.1925 0.3402 ( 4882 PWs) bands (ev): -67.3695 -67.3695 -37.1494 -37.1493 -35.9472 -35.9470 -35.9460 -35.9459 1.5969 1.6041 5.0569 5.0695 6.5588 6.5864 6.7475 6.7758 7.7127 7.7213 8.0257 8.0271 8.3370 8.3802 10.0573 10.2342 10.3692 10.3857 10.6044 10.6552 10.7895 10.8248 11.0071 11.0805 12.3551 12.3668 12.7824 12.8694 14.5395 14.7438 k = 0.5000 0.2005 0.3289 ( 4880 PWs) bands (ev): -67.3693 -67.3693 -37.1494 -37.1493 -35.9472 -35.9470 -35.9459 -35.9459 1.5914 1.5982 5.0222 5.0336 6.5581 6.5805 6.7386 6.7623 7.7189 7.7268 8.0188 8.0215 8.3390 8.3758 10.1048 10.2701 10.3907 10.4097 10.6255 10.6722 10.8008 10.8342 11.0140 11.0862 12.4542 12.4722 12.8723 12.9626 14.4717 14.6803 k = 0.5000 0.2085 0.3175 ( 4882 PWs) bands (ev): -67.3695 -67.3695 -37.1493 -37.1493 -35.9472 -35.9470 -35.9459 -35.9459 1.5863 1.5925 4.9903 5.0007 6.5573 6.5750 6.7299 6.7497 7.7247 7.7325 8.0122 8.0154 8.3403 8.3720 10.1481 10.3011 10.4085 10.4295 10.6470 10.6887 10.8113 10.8413 11.0191 11.0895 12.5515 12.5850 12.9619 13.0546 14.4055 14.6181 k = 0.5000 0.2165 0.3062 ( 4876 PWs) bands (ev): -67.3690 -67.3689 -37.1493 -37.1493 -35.9472 -35.9470 -35.9459 -35.9459 1.5816 1.5873 4.9614 4.9708 6.5564 6.5700 6.7218 6.7381 7.7306 7.7385 8.0063 8.0096 8.3419 8.3694 10.1886 10.3282 10.4279 10.4490 10.6683 10.7058 10.8227 10.8474 11.0256 11.0939 12.6537 12.7048 13.0496 13.1438 14.3415 14.5571 k = 0.5000 0.2245 0.2948 ( 4880 PWs) bands (ev): -67.3694 -67.3694 -37.1493 -37.1493 -35.9472 -35.9470 -35.9459 -35.9459 1.5773 1.5824 4.9355 4.9438 6.5553 6.5654 6.7139 6.7274 7.7361 7.7443 8.0003 8.0032 8.3428 8.3670 10.2241 10.3492 10.4430 10.4627 10.6855 10.7200 10.8305 10.8512 11.0308 11.0958 12.7557 12.8257 13.1336 13.2278 14.2790 14.4962 k = 0.5000 0.2325 0.2835 ( 4882 PWs) bands (ev): -67.3696 -67.3696 -37.1493 -37.1493 -35.9472 -35.9470 -35.9459 -35.9458 1.5734 1.5780 4.9127 4.9199 6.5543 6.5614 6.7067 6.7177 7.7416 7.7498 7.9946 7.9970 8.3437 8.3650 10.2558 10.3651 10.4576 10.4740 10.7031 10.7341 10.8388 10.8554 11.0361 11.0966 12.8583 12.9481 13.2135 13.3062 14.2184 14.4347 k = 0.5000 0.2406 0.2722 ( 4878 PWs) bands (ev): -67.3692 -67.3692 -37.1493 -37.1493 -35.9471 -35.9470 -35.9458 -35.9458 1.5701 1.5741 4.8929 4.8991 6.5533 6.5580 6.7003 6.7093 7.7469 7.7549 7.9897 7.9916 8.3448 8.3634 10.2850 10.3776 10.4737 10.4860 10.7211 10.7473 10.8478 10.8591 11.0419 11.0971 12.9608 13.0714 13.2875 13.3778 14.1591 14.3712 k = 0.5000 0.2486 0.2608 ( 4886 PWs) bands (ev): -67.3700 -67.3700 -37.1493 -37.1493 -35.9472 -35.9471 -35.9458 -35.9458 1.5672 1.5706 4.8761 4.8813 6.5523 6.5551 6.6946 6.7020 7.7516 7.7591 7.9850 7.9861 8.3453 8.3611 10.3091 10.3848 10.4864 10.4943 10.7344 10.7549 10.8533 10.8587 11.0443 11.0929 13.0595 13.1914 13.3530 13.4406 14.1001 14.3037 k = 0.5000 0.2566 0.2495 ( 4892 PWs) bands (ev): -67.3706 -67.3706 -37.1493 -37.1493 -35.9472 -35.9471 -35.9458 -35.9458 1.5650 1.5677 4.8625 4.8667 6.5513 6.5528 6.6898 6.6957 7.7560 7.7626 7.9806 7.9813 8.3462 8.3591 10.3281 10.3872 10.4964 10.5009 10.7458 10.7630 10.8572 10.8611 11.0489 11.0894 13.1540 13.3049 13.4105 13.4960 14.0430 14.2323 k = 0.5000 0.2646 0.2381 ( 4888 PWs) bands (ev): -67.3702 -67.3702 -37.1493 -37.1493 -35.9472 -35.9471 -35.9458 -35.9458 1.5633 1.5653 4.8521 4.8552 6.5506 6.5512 6.6863 6.6908 7.7600 7.7653 7.9775 7.9778 8.3476 8.3575 10.3458 10.3891 10.5066 10.5086 10.7587 10.7707 10.8635 10.8640 11.0545 11.0862 13.2418 13.3966 13.4702 13.5458 13.9889 14.1563 k = 0.5000 0.2726 0.2268 ( 4894 PWs) bands (ev): -67.3708 -67.3708 -37.1493 -37.1493 -35.9472 -35.9471 -35.9458 -35.9458 1.5621 1.5635 4.8447 4.8468 6.5498 6.5500 6.6839 6.6869 7.7631 7.7668 7.9748 7.9749 8.3487 8.3554 10.3588 10.3870 10.5124 10.5128 10.7658 10.7735 10.8644 10.8654 11.0578 11.0797 13.3180 13.4367 13.5503 13.5904 13.9418 14.0761 k = 0.5000 0.2807 0.2155 ( 4894 PWs) bands (ev): -67.3708 -67.3708 -37.1493 -37.1493 -35.9472 -35.9471 -35.9458 -35.9458 1.5616 1.5623 4.8405 4.8415 6.5494 6.5494 6.6828 6.6843 7.7655 7.7674 7.9733 7.9733 8.3503 8.3537 10.3697 10.3836 10.5162 10.5163 10.7715 10.7753 10.8659 10.8667 11.0636 11.0748 13.3791 13.4410 13.6208 13.6284 13.9171 13.9983 k = 0.5000 0.2887 0.2041 ( 4910 PWs) bands (ev): -67.3724 -67.3724 -37.1493 -37.1493 -35.9472 -35.9472 -35.9459 -35.9459 1.5616 1.5616 4.8394 4.8394 6.5490 6.5490 6.6827 6.6827 7.7667 7.7667 7.9719 7.9719 8.3512 8.3512 10.3753 10.3753 10.5145 10.5145 10.7690 10.7690 10.8610 10.8610 11.0678 11.0678 13.4199 13.4199 13.6457 13.6457 13.9361 13.9361 k = 0.5000 0.2887 0.2041 ( 4910 PWs) bands (ev): -67.3724 -67.3724 -37.1493 -37.1493 -35.9472 -35.9472 -35.9459 -35.9459 1.5616 1.5616 4.8394 4.8394 6.5490 6.5490 6.6827 6.6827 7.7667 7.7667 7.9719 7.9719 8.3512 8.3512 10.3753 10.3753 10.5145 10.5145 10.7690 10.7690 10.8610 10.8610 11.0678 11.0678 13.4199 13.4199 13.6457 13.6457 13.9361 13.9361 k = 0.4960 0.2863 0.2173 ( 4898 PWs) bands (ev): -67.3712 -67.3712 -37.1493 -37.1493 -35.9472 -35.9472 -35.9458 -35.9458 1.5616 1.5623 4.8405 4.8415 6.5494 6.5494 6.6827 6.6843 7.7654 7.7674 7.9731 7.9731 8.3501 8.3535 10.3692 10.3832 10.5156 10.5157 10.7696 10.7734 10.8643 10.8647 11.0635 11.0746 13.3785 13.4407 13.6205 13.6278 13.9170 13.9985 k = 0.4919 0.2840 0.2305 ( 4888 PWs) bands (ev): -67.3702 -67.3702 -37.1493 -37.1493 -35.9472 -35.9471 -35.9458 -35.9458 1.5621 1.5635 4.8448 4.8469 6.5500 6.5500 6.6840 6.6870 7.7632 7.7669 7.9751 7.9753 8.3489 8.3557 10.3596 10.3881 10.5136 10.5142 10.7675 10.7759 10.8665 10.8669 11.0585 11.0803 13.3174 13.4362 13.5522 13.5886 13.9427 14.0770 k = 0.4879 0.2817 0.2436 ( 4887 PWs) bands (ev): -67.3701 -67.3701 -37.1493 -37.1493 -35.9472 -35.9471 -35.9458 -35.9458 1.5633 1.5653 4.8522 4.8553 6.5509 6.5509 6.6864 6.6908 7.7599 7.7652 7.9775 7.9783 8.3475 8.3574 10.3455 10.3891 10.5069 10.5087 10.7594 10.7727 10.8649 10.8657 11.0528 11.0845 13.2403 13.3896 13.4815 13.5396 13.9897 14.1559 k = 0.4839 0.2794 0.2568 ( 4882 PWs) bands (ev): -67.3696 -67.3696 -37.1493 -37.1493 -35.9471 -35.9471 -35.9458 -35.9458 1.5651 1.5678 4.8628 4.8670 6.5521 6.5522 6.6901 6.6959 7.7562 7.7627 7.9806 7.9824 8.3468 8.3597 10.3292 10.3886 10.4984 10.5021 10.7475 10.7664 10.8612 10.8624 11.0510 11.0917 13.1524 13.2929 13.4346 13.4844 14.0443 14.2297 k = 0.4798 0.2770 0.2700 ( 4886 PWs) bands (ev): -67.3700 -67.3700 -37.1493 -37.1493 -35.9472 -35.9471 -35.9458 -35.9458 1.5673 1.5707 4.8766 4.8818 6.5536 6.5538 6.6949 6.7018 7.7515 7.7590 7.9839 7.9872 8.3455 8.3611 10.3074 10.3836 10.4863 10.4930 10.7322 10.7569 10.8553 10.8575 11.0452 11.0938 13.0554 13.1749 13.3892 13.4233 14.0983 14.2938 k = 0.4758 0.2747 0.2831 ( 4882 PWs) bands (ev): -67.3696 -67.3696 -37.1493 -37.1493 -35.9472 -35.9470 -35.9458 -35.9458 1.5702 1.5742 4.8935 4.8997 6.5554 6.5559 6.7011 6.7089 7.7465 7.7547 7.9880 7.9933 8.3449 8.3626 10.2824 10.3759 10.4744 10.4848 10.7181 10.7484 10.8512 10.8550 11.0399 11.0953 12.9537 13.0508 13.3383 13.3582 14.1497 14.3473 k = 0.4718 0.2724 0.2963 ( 4882 PWs) bands (ev): -67.3696 -67.3696 -37.1493 -37.1493 -35.9472 -35.9470 -35.9458 -35.9458 1.5735 1.5782 4.9135 4.9208 6.5575 6.5582 6.7084 6.7168 7.7412 7.7497 7.9921 8.0000 8.3445 8.3639 10.2527 10.3632 10.4616 10.4750 10.6985 10.7371 10.8452 10.8493 11.0346 11.0955 12.8487 12.9246 13.2803 13.2883 14.1962 14.3887 k = 0.4677 0.2701 0.3095 ( 4876 PWs) bands (ev): -67.3690 -67.3690 -37.1493 -37.1493 -35.9472 -35.9470 -35.9458 -35.9458 1.5774 1.5826 4.9366 4.9450 6.5598 6.5609 6.7170 6.7257 7.7357 7.7445 7.9966 8.0074 8.3447 8.3651 10.2190 10.3452 10.4514 10.4666 10.6786 10.7260 10.8403 10.8445 11.0299 11.0951 12.7426 12.7988 13.2157 13.2172 14.2369 14.4184 k = 0.4637 0.2677 0.3226 ( 4881 PWs) bands (ev): -67.3695 -67.3694 -37.1493 -37.1493 -35.9472 -35.9470 -35.9459 -35.9459 1.5817 1.5875 4.9628 4.9722 6.5622 6.5637 6.7264 6.7351 7.7298 7.7388 8.0005 8.0147 8.3451 8.3657 10.1783 10.3186 10.4389 10.4542 10.6536 10.7112 10.8330 10.8360 11.0239 11.0927 12.6365 12.6746 13.1387 13.1481 14.2703 14.4364 k = 0.4597 0.2654 0.3358 ( 4889 PWs) bands (ev): -67.3702 -67.3702 -37.1494 -37.1493 -35.9472 -35.9470 -35.9459 -35.9459 1.5865 1.5928 4.9920 5.0024 6.5645 6.5666 6.7369 6.7451 7.7239 7.7330 8.0042 8.0220 8.3461 8.3659 10.1315 10.2849 10.4282 10.4419 10.6234 10.6943 10.8249 10.8256 11.0178 11.0889 12.5312 12.5531 13.0595 13.0754 14.2960 14.4436 k = 0.4556 0.2631 0.3490 ( 4887 PWs) bands (ev): -67.3700 -67.3700 -37.1494 -37.1493 -35.9472 -35.9470 -35.9459 -35.9459 1.5917 1.5984 5.0241 5.0357 6.5671 6.5699 6.7487 6.7561 7.7181 7.7274 8.0083 8.0303 8.3482 8.3664 10.0835 10.2493 10.4208 10.4322 10.5923 10.6762 10.8127 10.8177 11.0122 11.0854 12.4315 12.4390 12.9794 13.0007 14.3150 14.4429 k = 0.4516 0.2607 0.3622 ( 4892 PWs) bands (ev): -67.3705 -67.3705 -37.1494 -37.1493 -35.9472 -35.9470 -35.9460 -35.9460 1.5972 1.6044 5.0592 5.0719 6.5697 6.5731 6.7611 6.7672 7.7123 7.7220 8.0114 8.0377 8.3510 8.3661 10.0283 10.2062 10.4109 10.4193 10.5600 10.6571 10.7992 10.8099 11.0051 11.0800 12.3304 12.3355 12.8969 12.9230 14.3264 14.4349 k = 0.4476 0.2584 0.3753 ( 4889 PWs) bands (ev): -67.3702 -67.3702 -37.1494 -37.1493 -35.9472 -35.9470 -35.9460 -35.9460 1.6030 1.6107 5.0972 5.1110 6.5721 6.5765 6.7747 6.7789 7.7068 7.7172 8.0144 8.0450 8.3551 8.3656 9.9685 10.1582 10.4036 10.4087 10.5282 10.6386 10.7861 10.8037 10.9994 11.0754 12.2300 12.2462 12.8148 12.8450 14.3314 14.4217 k = 0.4435 0.2561 0.3885 ( 4887 PWs) bands (ev): -67.3700 -67.3700 -37.1494 -37.1493 -35.9472 -35.9470 -35.9460 -35.9460 1.6091 1.6171 5.1380 5.1530 6.5743 6.5798 6.7891 6.7909 7.7014 7.7129 8.0165 8.0514 8.3604 8.3646 9.9027 10.1045 10.3965 10.3982 10.4961 10.6189 10.7714 10.7972 10.9934 11.0707 12.1375 12.1631 12.7322 12.7663 14.3302 14.4041 k = 0.4395 0.2538 0.4017 ( 4893 PWs) bands (ev): -67.3706 -67.3706 -37.1494 -37.1493 -35.9472 -35.9470 -35.9461 -35.9461 1.6154 1.6238 5.1815 5.1977 6.5762 6.5828 6.8028 6.8041 7.6960 7.7092 8.0176 8.0565 8.3631 8.3669 9.8320 10.0462 10.3833 10.3844 10.4621 10.5957 10.7540 10.7895 10.9864 11.0651 12.0526 12.0855 12.6480 12.6858 14.3238 14.3832 k = 0.4355 0.2514 0.4148 ( 4898 PWs) bands (ev): -67.3711 -67.3711 -37.1494 -37.1493 -35.9473 -35.9470 -35.9461 -35.9461 1.6218 1.6305 5.2275 5.2450 6.5777 6.5856 6.8149 6.8199 7.6907 7.7065 8.0178 8.0603 8.3612 8.3750 9.7562 9.9829 10.3693 10.3725 10.4296 10.5718 10.7363 10.7826 10.9798 11.0599 11.9750 12.0138 12.5648 12.6061 14.3124 14.3595 k = 0.4315 0.2491 0.4280 ( 4898 PWs) bands (ev): -67.3711 -67.3711 -37.1494 -37.1493 -35.9473 -35.9469 -35.9461 -35.9461 1.6283 1.6373 5.2761 5.2950 6.5789 6.5883 6.8270 6.8363 7.6856 7.7049 8.0170 8.0628 8.3592 8.3849 9.6777 9.9173 10.3542 10.3581 10.4021 10.5484 10.7190 10.7761 10.9742 11.0562 11.9083 11.9513 12.4820 12.5267 14.2981 14.3349 k = 0.4274 0.2468 0.4412 ( 4894 PWs) bands (ev): -67.3707 -67.3707 -37.1494 -37.1493 -35.9472 -35.9469 -35.9462 -35.9461 1.6348 1.6440 5.3270 5.3474 6.5795 6.5906 6.8392 6.8535 7.6807 7.7044 8.0152 8.0637 8.3570 8.3968 9.5958 9.8488 10.3411 10.3415 10.3798 10.5247 10.7024 10.7709 10.9686 11.0526 11.8498 11.8956 12.4019 12.4499 14.2801 14.3081 k = 0.4234 0.2444 0.4543 ( 4889 PWs) bands (ev): -67.3702 -67.3702 -37.1494 -37.1493 -35.9472 -35.9469 -35.9462 -35.9462 1.6413 1.6506 5.3801 5.4021 6.5795 6.5924 6.8514 6.8711 7.6757 7.7052 8.0119 8.0624 8.3548 8.4103 9.5120 9.7790 10.3211 10.3285 10.3640 10.5004 10.6852 10.7650 10.9631 11.0493 11.7993 11.8466 12.3237 12.3749 14.2598 14.2807 k = 0.4194 0.2421 0.4675 ( 4887 PWs) bands (ev): -67.3700 -67.3699 -37.1494 -37.1493 -35.9472 -35.9469 -35.9462 -35.9462 1.6475 1.6571 5.4351 5.4589 6.5788 6.5937 6.8633 6.8891 7.6705 7.7070 8.0069 8.0589 8.3521 8.4251 9.4266 9.7087 10.2980 10.3134 10.3501 10.4757 10.6680 10.7584 10.9573 11.0459 11.7566 11.8043 12.2463 12.3005 14.2363 14.2514 k = 0.4153 0.2398 0.4807 ( 4883 PWs) bands (ev): -67.3696 -67.3695 -37.1494 -37.1493 -35.9472 -35.9469 -35.9462 -35.9462 1.6536 1.6632 5.4918 5.5176 6.5772 6.5944 6.8752 6.9075 7.6652 7.7103 8.0005 8.0531 8.3496 8.4416 9.3414 9.6394 10.2757 10.2991 10.3386 10.4515 10.6509 10.7513 10.9514 11.0423 11.7206 11.7678 12.1720 12.2291 14.2105 14.2210 k = 0.4113 0.2375 0.4938 ( 4881 PWs) bands (ev): -67.3693 -67.3693 -37.1495 -37.1493 -35.9472 -35.9468 -35.9462 -35.9462 1.6593 1.6690 5.5499 5.5781 6.5745 6.5944 6.8868 6.9258 7.6594 7.7149 7.9923 8.0441 8.3473 8.4596 9.2571 9.5710 10.2555 10.2829 10.3260 10.4283 10.6338 10.7438 10.9465 11.0398 11.6892 11.7355 12.0993 12.1592 14.1832 14.1901 k = 0.4073 0.2351 0.5070 ( 4883 PWs) bands (ev): -67.3695 -67.3695 -37.1495 -37.1493 -35.9472 -35.9468 -35.9463 -35.9462 1.6645 1.6743 5.6090 5.6398 6.5707 6.5936 6.8984 6.9444 7.6529 7.7208 7.9830 8.0324 8.3449 8.4782 9.1754 9.5055 10.2353 10.2672 10.3143 10.4041 10.6156 10.7339 10.9407 11.0360 11.6612 11.7060 12.0303 12.0926 14.1530 14.1570 k = 0.4032 0.2328 0.5202 ( 4879 PWs) bands (ev): -67.3691 -67.3691 -37.1495 -37.1493 -35.9472 -35.9468 -35.9463 -35.9463 1.6693 1.6790 5.6686 5.7025 6.5659 6.5923 6.9101 6.9630 7.6462 7.7281 7.9728 8.0178 8.3434 8.4980 9.0982 9.4441 10.2176 10.2504 10.3025 10.3819 10.6011 10.7259 10.9358 11.0323 11.6400 11.6826 11.9659 12.0301 14.1219 14.1238 k = 0.3992 0.2305 0.5334 ( 4879 PWs) bands (ev): -67.3691 -67.3691 -37.1495 -37.1493 -35.9472 -35.9468 -35.9463 -35.9463 1.6734 1.6831 5.7282 5.7657 6.5597 6.5902 6.9220 6.9814 7.6389 7.7367 7.9621 8.0000 8.3420 8.5180 9.0261 9.3868 10.2012 10.2324 10.2897 10.3600 10.5859 10.7155 10.9311 11.0281 11.6218 11.6618 11.9051 11.9705 14.0888 14.0889 k = 0.3952 0.2281 0.5465 ( 4877 PWs) bands (ev): -67.3689 -67.3689 -37.1495 -37.1493 -35.9472 -35.9468 -35.9463 -35.9463 1.6768 1.6864 5.7870 5.8288 6.5524 6.5877 6.9342 6.9996 7.6314 7.7467 7.9514 7.9793 8.3415 8.5378 8.9615 9.3344 10.1867 10.2131 10.2759 10.3389 10.5718 10.7044 10.9289 11.0254 11.6076 11.6443 11.8487 11.9146 14.0548 14.0560 k = 0.3911 0.2258 0.5597 ( 4889 PWs) bands (ev): -67.3701 -67.3701 -37.1495 -37.1494 -35.9472 -35.9469 -35.9463 -35.9463 1.6792 1.6888 5.8440 5.8909 6.5438 6.5849 6.9469 7.0174 7.6236 7.7576 7.9410 7.9554 8.3406 8.5557 8.9042 9.2862 10.1704 10.1910 10.2595 10.3152 10.5575 10.6911 10.9241 11.0196 11.5925 11.6253 11.7959 11.8612 14.0164 14.0184 k = 0.3871 0.2235 0.5729 ( 4896 PWs) bands (ev): -67.3708 -67.3708 -37.1495 -37.1494 -35.9473 -35.9469 -35.9464 -35.9464 1.6808 1.6902 5.8982 5.9509 6.5346 6.5825 6.9607 7.0350 7.6166 7.7695 7.9298 7.9320 8.3405 8.5710 8.8576 9.2436 10.1550 10.1676 10.2429 10.2929 10.5454 10.6779 10.9230 11.0161 11.5815 11.6095 11.7494 11.8126 13.9789 13.9816 k = 0.3831 0.2212 0.5860 ( 4894 PWs) bands (ev): -67.3706 -67.3706 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9464 1.6812 1.6905 5.9482 6.0074 6.5257 6.5812 6.9760 7.0526 7.6111 7.7819 7.9036 7.9248 8.3412 8.5820 8.8241 9.2071 10.1403 10.1426 10.2267 10.2735 10.5366 10.6654 10.9265 11.0155 11.5765 11.5977 11.7112 11.7694 13.9427 13.9458 k = 0.3790 0.2188 0.5992 ( 4894 PWs) bands (ev): -67.3706 -67.3706 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9464 1.6805 1.6896 5.9922 6.0581 6.5185 6.5821 6.9931 7.0701 7.6075 7.7927 7.8791 7.9194 8.3418 8.5851 8.8051 9.1757 10.1152 10.1232 10.2109 10.2539 10.5293 10.6524 10.9315 11.0152 11.5744 11.5855 11.6817 11.7309 13.9052 13.9087 k = 0.3750 0.2165 0.6124 ( 4882 PWs) bands (ev): -67.3694 -67.3694 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6785 1.6874 6.0284 6.1004 6.5154 6.5863 7.0128 7.0882 7.6070 7.7968 7.8630 7.9161 8.3433 8.5804 8.8017 9.1499 10.0857 10.1039 10.1978 10.2375 10.5280 10.6430 10.9408 11.0182 11.5753 11.5778 11.6646 11.7002 13.8695 13.8732 k = 0.6250-0.0722 0.4082 ( 4882 PWs) bands (ev): -67.3694 -67.3694 -37.1495 -37.1494 -35.9472 -35.9469 -35.9464 -35.9463 1.6785 1.6874 6.0284 6.1004 6.5154 6.5863 7.0128 7.0882 7.6070 7.7968 7.8630 7.9161 8.3433 8.5804 8.8017 9.1499 10.0857 10.1039 10.1978 10.2375 10.5280 10.6430 10.9408 11.0182 11.5753 11.5778 11.6646 11.7002 13.8695 13.8732 k = 0.6181-0.0842 0.4082 ( 4898 PWs) bands (ev): -67.3710 -67.3710 -37.1495 -37.1494 -35.9472 -35.9470 -35.9464 -35.9464 1.6730 1.6815 6.0801 6.1605 6.5181 6.6001 7.0495 7.1205 7.6079 7.7919 7.8475 7.9130 8.3444 8.5641 8.8070 9.1073 10.0247 10.0561 10.1728 10.2023 10.5222 10.6241 10.9500 11.0171 11.5433 11.5735 11.6402 11.6479 13.7999 13.8040 k = 0.6111-0.0962 0.4082 ( 4904 PWs) bands (ev): -67.3717 -67.3716 -37.1495 -37.1494 -35.9473 -35.9470 -35.9464 -35.9464 1.6666 1.6746 6.1252 6.2118 6.5306 6.6219 7.0878 7.1548 7.6092 7.7880 7.8336 7.9130 8.3464 8.5491 8.8133 9.0655 9.9596 9.9981 10.1517 10.1670 10.5224 10.6122 10.9653 11.0219 11.5102 11.5681 11.6057 11.6262 13.7285 13.7330 k = 0.6042-0.1083 0.4082 ( 4894 PWs) bands (ev): -67.3707 -67.3707 -37.1495 -37.1494 -35.9472 -35.9470 -35.9464 -35.9464 1.6594 1.6670 6.1622 6.2507 6.5557 6.6522 7.1280 7.1914 7.6111 7.7828 7.8240 7.9165 8.3498 8.5361 8.8217 9.0256 9.8903 9.9329 10.1339 10.1341 10.5282 10.6072 10.9860 11.0320 11.4794 11.5503 11.5879 11.6217 13.6599 13.6649 k = 0.5972-0.1203 0.4082 ( 4894 PWs) bands (ev): -67.3707 -67.3707 -37.1495 -37.1494 -35.9472 -35.9470 -35.9464 -35.9463 1.6516 1.6588 6.1905 6.2755 6.5928 6.6894 7.1705 7.2309 7.6128 7.7729 7.8215 7.9233 8.3534 8.5243 8.8304 8.9864 9.8161 9.8609 10.0984 10.1148 10.5328 10.6028 11.0055 11.0417 11.4477 11.5161 11.5851 11.6164 13.5886 13.5941 k = 0.5903-0.1323 0.4082 ( 4894 PWs) bands (ev): -67.3707 -67.3707 -37.1495 -37.1494 -35.9472 -35.9470 -35.9464 -35.9463 1.6435 1.6502 6.2110 6.2887 6.6382 6.7313 7.2159 7.2738 7.6146 7.7588 7.8265 7.9336 8.3576 8.5145 8.8395 8.9488 9.7389 9.7845 10.0618 10.0942 10.5385 10.6007 11.0261 11.0531 11.4182 11.4823 11.5850 11.6119 13.5171 13.5232 k = 0.5833-0.1443 0.4082 ( 4894 PWs) bands (ev): -67.3707 -67.3707 -37.1495 -37.1494 -35.9472 -35.9470 -35.9464 -35.9463 1.6353 1.6415 6.2251 6.2939 6.6867 6.7748 7.2647 7.3206 7.6167 7.7429 7.8370 7.9474 8.3625 8.5068 8.8488 8.9134 9.6596 9.7053 10.0240 10.0720 10.5458 10.6011 11.0466 11.0649 11.3909 11.4511 11.5855 11.6079 13.4467 13.4534 k = 0.5764-0.1564 0.4082 ( 4886 PWs) bands (ev): -67.3700 -67.3699 -37.1495 -37.1494 -35.9472 -35.9470 -35.9464 -35.9463 1.6271 1.6329 6.2344 6.2945 6.7343 6.8171 7.3175 7.3714 7.6200 7.7270 7.8521 7.9645 8.3682 8.5021 8.8580 8.8815 9.5796 9.6245 9.9863 10.0483 10.5558 10.6049 11.0703 11.0803 11.3671 11.4238 11.5873 11.6056 13.3798 13.3871 k = 0.5694-0.1684 0.4082 ( 4890 PWs) bands (ev): -67.3704 -67.3704 -37.1495 -37.1494 -35.9472 -35.9471 -35.9464 -35.9463 1.6192 1.6244 6.2404 6.2923 6.7775 6.8552 7.3736 7.4242 7.6254 7.7118 7.8709 7.9844 8.3741 8.5000 8.8521 8.8655 9.4991 9.5424 9.9466 10.0213 10.5603 10.6038 11.0925 11.0949 11.3436 11.3972 11.5845 11.5992 13.3122 13.3200 k = 0.5625-0.1804 0.4082 ( 4886 PWs) bands (ev): -67.3700 -67.3700 -37.1495 -37.1494 -35.9472 -35.9471 -35.9464 -35.9463 1.6116 1.6163 6.2441 6.2887 6.8158 6.8882 7.4322 7.4755 7.6364 7.6990 7.8929 8.0069 8.3802 8.5010 8.8274 8.8711 9.4202 9.4607 9.9074 9.9929 10.5683 10.6067 11.1109 11.1158 11.3234 11.3744 11.5839 11.5951 13.2505 13.2586 k = 0.5556-0.1925 0.4082 ( 4880 PWs) bands (ev): -67.3694 -67.3694 -37.1495 -37.1494 -35.9472 -35.9471 -35.9463 -35.9463 1.6045 1.6086 6.2463 6.2844 6.8483 6.9152 7.4898 7.5175 7.6595 7.6907 7.9181 8.0315 8.3861 8.5056 8.8075 8.8724 9.3448 9.3801 9.8683 9.9622 10.5773 10.6108 11.1277 11.1387 11.3094 11.3578 11.5805 11.5887 13.1918 13.2000 k = 0.5486-0.2045 0.4082 ( 4884 PWs) bands (ev): -67.3698 -67.3698 -37.1495 -37.1494 -35.9472 -35.9471 -35.9463 -35.9463 1.5979 1.6016 6.2474 6.2796 6.8755 6.9364 7.5400 7.5433 7.6913 7.6982 7.9450 8.0581 8.3896 8.5137 8.7929 8.8670 9.2743 9.3014 9.8300 9.9297 10.5840 10.6129 11.1412 11.1578 11.2936 11.3398 11.5741 11.5796 13.1369 13.1451 k = 0.5417-0.2165 0.4082 ( 4884 PWs) bands (ev): -67.3698 -67.3698 -37.1495 -37.1494 -35.9472 -35.9471 -35.9463 -35.9463 1.5921 1.5953 6.2482 6.2750 6.8983 6.9524 7.5557 7.5728 7.7096 7.7476 7.9742 8.0872 8.3911 8.5261 8.7849 8.8514 9.2123 9.2262 9.7946 9.8960 10.5905 10.6150 11.1561 11.1776 11.2803 11.3248 11.5694 11.5727 13.0880 13.0958 k = 0.5347-0.2285 0.4082 ( 4876 PWs) bands (ev): -67.3690 -67.3690 -37.1495 -37.1494 -35.9472 -35.9471 -35.9463 -35.9462 1.5871 1.5898 6.2488 6.2706 6.9173 6.9639 7.5616 7.5852 7.7466 7.7978 8.0056 8.1191 8.3909 8.5432 8.7825 8.8224 9.1565 9.1616 9.7639 9.8621 10.6002 10.6205 11.1717 11.1972 11.2711 11.3137 11.5655 11.5671 13.0484 13.0555 k = 0.5278-0.2406 0.4082 ( 4872 PWs) bands (ev): -67.3686 -67.3686 -37.1494 -37.1494 -35.9472 -35.9471 -35.9463 -35.9462 1.5830 1.5851 6.2493 6.2664 6.9329 6.9711 7.5641 7.5859 7.7902 7.8411 8.0386 8.1522 8.3913 8.5653 8.7787 8.7826 9.0957 9.1224 9.7391 9.8282 10.6101 10.6263 11.1867 11.2142 11.2654 11.3049 11.5585 11.5586 13.0114 13.0175 k = 0.5208-0.2526 0.4082 ( 4870 PWs) bands (ev): -67.3685 -67.3685 -37.1494 -37.1494 -35.9472 -35.9471 -35.9462 -35.9462 1.5798 1.5814 6.2499 6.2626 6.9458 6.9751 7.5657 7.5826 7.8312 7.8738 8.0731 8.1816 8.3973 8.5916 8.7230 8.7792 9.0486 9.0919 9.7217 9.7962 10.6176 10.6298 11.1963 11.2212 11.2628 11.2958 11.5524 11.5531 12.9867 12.9915 k = 0.5139-0.2646 0.4082 ( 4874 PWs) bands (ev): -67.3689 -67.3689 -37.1494 -37.1494 -35.9472 -35.9472 -35.9462 -35.9462 1.5775 1.5786 6.2509 6.2593 6.9562 6.9761 7.5669 7.5783 7.8638 7.8940 8.1085 8.1971 8.4193 8.6179 8.6644 8.7654 9.0214 9.0666 9.7131 9.7671 10.6202 10.6284 11.2021 11.2195 11.2668 11.2891 11.5473 11.5481 12.9666 12.9700 k = 0.5069-0.2766 0.4082 ( 4880 PWs) bands (ev): -67.3695 -67.3695 -37.1494 -37.1494 -35.9472 -35.9472 -35.9463 -35.9462 1.5762 1.5767 6.2523 6.2565 6.9643 6.9743 7.5684 7.5741 7.8863 7.9018 8.1426 8.1926 8.4622 8.5838 8.6671 8.7385 9.0158 9.0443 9.7140 9.7424 10.6217 10.6257 11.2075 11.2161 11.2730 11.2840 11.5425 11.5430 12.9509 12.9527 k = 0.5000-0.2887 0.4082 ( 4880 PWs) bands (ev): -67.3695 -67.3695 -37.1494 -37.1494 -35.9472 -35.9472 -35.9462 -35.9462 1.5760 1.5760 6.2542 6.2542 6.9704 6.9704 7.5709 7.5709 7.8992 7.8992 8.1723 8.1723 8.5201 8.5201 8.7032 8.7032 9.0259 9.0259 9.7243 9.7243 10.6241 10.6241 11.2122 11.2122 11.2790 11.2790 11.5417 11.5417 12.9476 12.9476 Writing output data file MnSbPt.save init_run : 0.87s CPU 0.52s WALL ( 1 calls) electrons : 234.56s CPU 143.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.13s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 234.56s CPU 143.79s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.23s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.35s CPU 0.46s WALL ( 337 calls) cegterg : 207.10s CPU 127.49s WALL ( 367 calls) Called by sum_band: Called by *egterg: h_psi : 146.88s CPU 85.10s WALL ( 5708 calls) s_psi : 5.69s CPU 3.31s WALL ( 5708 calls) g_psi : 0.39s CPU 0.22s WALL ( 5004 calls) cdiaghg : 53.83s CPU 36.58s WALL ( 5341 calls) cegterg:over : 8.55s CPU 5.35s WALL ( 5004 calls) cegterg:upda : 7.21s CPU 4.65s WALL ( 5004 calls) cegterg:last : 3.51s CPU 2.29s WALL ( 1157 calls) cdiaghg:chol : 3.19s CPU 2.09s WALL ( 5341 calls) cdiaghg:inve : 1.50s CPU 1.08s WALL ( 5341 calls) cdiaghg:para : 2.82s CPU 1.98s WALL ( 10682 calls) Called by h_psi: h_psi:vloc : 130.78s CPU 75.54s WALL ( 5708 calls) h_psi:vnl : 15.78s CPU 9.35s WALL ( 5708 calls) add_vuspsi : 9.26s CPU 5.41s WALL ( 5708 calls) General routines calbec : 6.48s CPU 3.92s WALL ( 5708 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 121.96s CPU 70.19s WALL ( 575292 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.45s CPU 0.80s WALL ( 674 calls) Parallel routines fft_scatter : 54.39s CPU 32.93s WALL ( 575315 calls) PWSCF : 4m 9.32s CPU 2m50.24s WALL This run was terminated on: 4:16:37 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=