Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:13:46 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 1700 1074 165 Max 58 43 13 1704 1091 168 Sum 2053 1519 433 61239 38949 5961 bravais-lattice index = 14 lattice parameter (alat) = 8.2847 a.u. unit-cell volume = 402.0792 (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)= 8.284676 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= 339 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0029499 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0029499 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0029499 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0029499 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0029499 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0029499 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0029499 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0029499 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0029499 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0029499 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0029499 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0029499 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0029499 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0029499 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0029499 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0029499 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0029499 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0029499 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0029499 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0029499 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0029499 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0029499 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0029499 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0029499 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0029499 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0029499 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0029499 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0029499 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0029499 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0029499 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0029499 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0029499 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0029499 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0029499 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0029499 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0029499 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0029499 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0029499 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0029499 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0029499 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0029499 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0029499 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0029499 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0029499 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0029499 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0029499 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0029499 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0029499 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0029499 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0029499 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0029499 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0029499 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0029499 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0029499 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0029499 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0029499 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0029499 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0029499 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0029499 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0029499 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0029499 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0029499 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0029499 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0029499 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0029499 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0029499 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0029499 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0029499 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0029499 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0029499 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0029499 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0029499 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0029499 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0029499 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0029499 k( 79) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 81) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029499 k( 82) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029499 k( 83) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029499 k( 84) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029499 k( 85) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029499 k( 86) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029499 k( 87) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029499 k( 88) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029499 k( 89) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029499 k( 90) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029499 k( 91) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029499 k( 92) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029499 k( 93) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029499 k( 94) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029499 k( 95) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029499 k( 96) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029499 k( 97) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029499 k( 98) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 100) = ( 0.3680556 0.2124970 0.6010322), wk = 0.0029499 k( 101) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0029499 k( 102) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0029499 k( 103) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0029499 k( 104) = ( 0.3402778 0.1964595 0.5556713), wk = 0.0029499 k( 105) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0029499 k( 106) = ( 0.3263889 0.1884407 0.5329908), wk = 0.0029499 k( 107) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0029499 k( 108) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0029499 k( 109) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0029499 k( 110) = ( 0.2986111 0.1724032 0.4876299), wk = 0.0029499 k( 111) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0029499 k( 112) = ( 0.2847222 0.1643845 0.4649494), wk = 0.0029499 k( 113) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0029499 k( 114) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0029499 k( 115) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0029499 k( 116) = ( 0.2569444 0.1483469 0.4195885), wk = 0.0029499 k( 117) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0029499 k( 118) = ( 0.2430556 0.1403282 0.3969081), wk = 0.0029499 k( 119) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0029499 k( 120) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0029499 k( 121) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0029499 k( 122) = ( 0.2152778 0.1242907 0.3515471), wk = 0.0029499 k( 123) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0029499 k( 124) = ( 0.2013889 0.1162719 0.3288667), wk = 0.0029499 k( 125) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0029499 k( 126) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0029499 k( 127) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0029499 k( 128) = ( 0.1736111 0.1002344 0.2835058), wk = 0.0029499 k( 129) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0029499 k( 130) = ( 0.1597222 0.0922157 0.2608253), wk = 0.0029499 k( 131) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0029499 k( 132) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0029499 k( 133) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0029499 k( 134) = ( 0.1319444 0.0761782 0.2154644), wk = 0.0029499 k( 135) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0029499 k( 136) = ( 0.1180556 0.0681594 0.1927839), wk = 0.0029499 k( 137) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0029499 k( 138) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0029499 k( 139) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0029499 k( 140) = ( 0.0902778 0.0521219 0.1474230), wk = 0.0029499 k( 141) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0029499 k( 142) = ( 0.0763889 0.0441031 0.1247425), wk = 0.0029499 k( 143) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0029499 k( 144) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0029499 k( 145) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0029499 k( 146) = ( 0.0486111 0.0280656 0.0793816), wk = 0.0029499 k( 147) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0029499 k( 148) = ( 0.0347222 0.0200469 0.0567011), wk = 0.0029499 k( 149) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0029499 k( 150) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0029499 k( 151) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0029499 k( 152) = ( 0.0069444 0.0040094 0.0113402), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 155) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029499 k( 156) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029499 k( 157) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029499 k( 158) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029499 k( 159) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029499 k( 160) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029499 k( 161) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029499 k( 162) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029499 k( 163) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029499 k( 164) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029499 k( 165) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029499 k( 166) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029499 k( 167) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029499 k( 168) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029499 k( 169) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029499 k( 170) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029499 k( 171) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029499 k( 172) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029499 k( 173) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029499 k( 174) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029499 k( 175) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029499 k( 176) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029499 k( 177) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029499 k( 178) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029499 k( 179) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029499 k( 180) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029499 k( 181) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029499 k( 182) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029499 k( 183) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029499 k( 184) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029499 k( 185) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029499 k( 186) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029499 k( 187) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029499 k( 188) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029499 k( 189) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029499 k( 190) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029499 k( 191) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029499 k( 192) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029499 k( 193) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029499 k( 194) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029499 k( 195) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029499 k( 196) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029499 k( 197) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029499 k( 198) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 199) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 200) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0029499 k( 201) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0029499 k( 202) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0029499 k( 203) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0029499 k( 204) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0029499 k( 205) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0029499 k( 206) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0029499 k( 207) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0029499 k( 208) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0029499 k( 209) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0029499 k( 210) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0029499 k( 211) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0029499 k( 212) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0029499 k( 213) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0029499 k( 214) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0029499 k( 215) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0029499 k( 216) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0029499 k( 217) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0029499 k( 218) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0029499 k( 219) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0029499 k( 220) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0029499 k( 221) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0029499 k( 222) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0029499 k( 223) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0029499 k( 224) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0029499 k( 225) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0029499 k( 226) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0029499 k( 227) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0029499 k( 228) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0029499 k( 229) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0029499 k( 230) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0029499 k( 231) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 232) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 233) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029499 k( 234) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029499 k( 235) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029499 k( 236) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029499 k( 237) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029499 k( 238) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029499 k( 239) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029499 k( 240) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029499 k( 241) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029499 k( 242) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029499 k( 243) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029499 k( 244) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029499 k( 245) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029499 k( 246) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029499 k( 247) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029499 k( 248) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029499 k( 249) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029499 k( 250) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 251) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 252) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029499 k( 253) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029499 k( 254) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029499 k( 255) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029499 k( 256) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029499 k( 257) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029499 k( 258) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029499 k( 259) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029499 k( 260) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029499 k( 261) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029499 k( 262) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029499 k( 263) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029499 k( 264) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029499 k( 265) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029499 k( 266) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029499 k( 267) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029499 k( 268) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029499 k( 269) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029499 k( 270) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029499 k( 271) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029499 k( 272) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029499 k( 273) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029499 k( 274) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029499 k( 275) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029499 k( 276) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029499 k( 277) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029499 k( 278) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029499 k( 279) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029499 k( 280) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029499 k( 281) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029499 k( 282) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029499 k( 283) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029499 k( 284) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029499 k( 285) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029499 k( 286) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029499 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 288) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 289) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0029499 k( 290) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0029499 k( 291) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0029499 k( 292) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0029499 k( 293) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0029499 k( 294) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0029499 k( 295) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0029499 k( 296) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0029499 k( 297) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0029499 k( 298) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0029499 k( 299) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0029499 k( 300) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0029499 k( 301) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0029499 k( 302) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0029499 k( 303) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0029499 k( 304) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0029499 k( 305) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0029499 k( 306) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0029499 k( 307) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0029499 k( 308) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0029499 k( 309) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0029499 k( 310) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0029499 k( 311) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0029499 k( 312) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0029499 k( 313) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0029499 k( 314) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0029499 k( 315) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0029499 k( 316) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0029499 k( 317) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0029499 k( 318) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0029499 k( 319) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0029499 k( 320) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 321) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 322) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029499 k( 323) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029499 k( 324) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029499 k( 325) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029499 k( 326) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029499 k( 327) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029499 k( 328) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029499 k( 329) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029499 k( 330) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029499 k( 331) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029499 k( 332) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029499 k( 333) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029499 k( 334) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029499 k( 335) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029499 k( 336) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029499 k( 337) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029499 k( 338) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029499 k( 339) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0098039 -0.0000000 0.0098039), wk = 0.0029499 k( 3) = ( 0.0196078 -0.0000000 0.0196078), wk = 0.0029499 k( 4) = ( 0.0294118 -0.0000000 0.0294118), wk = 0.0029499 k( 5) = ( 0.0392157 -0.0000000 0.0392157), wk = 0.0029499 k( 6) = ( 0.0490196 -0.0000000 0.0490196), wk = 0.0029499 k( 7) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0029499 k( 8) = ( 0.0686275 0.0000000 0.0686275), wk = 0.0029499 k( 9) = ( 0.0784314 -0.0000000 0.0784314), wk = 0.0029499 k( 10) = ( 0.0882353 0.0000000 0.0882353), wk = 0.0029499 k( 11) = ( 0.0980392 -0.0000000 0.0980392), wk = 0.0029499 k( 12) = ( 0.1078431 -0.0000000 0.1078431), wk = 0.0029499 k( 13) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0029499 k( 14) = ( 0.1274510 0.0000000 0.1274510), wk = 0.0029499 k( 15) = ( 0.1372549 0.0000000 0.1372549), wk = 0.0029499 k( 16) = ( 0.1470588 0.0000000 0.1470588), wk = 0.0029499 k( 17) = ( 0.1568627 -0.0000000 0.1568628), wk = 0.0029499 k( 18) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0029499 k( 19) = ( 0.1764706 0.0000000 0.1764706), wk = 0.0029499 k( 20) = ( 0.1862745 -0.0000000 0.1862745), wk = 0.0029499 k( 21) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0029499 k( 22) = ( 0.2058823 -0.0000000 0.2058823), wk = 0.0029499 k( 23) = ( 0.2156863 -0.0000000 0.2156863), wk = 0.0029499 k( 24) = ( 0.2254902 -0.0000000 0.2254902), wk = 0.0029499 k( 25) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0029499 k( 26) = ( 0.2450980 -0.0000000 0.2450980), wk = 0.0029499 k( 27) = ( 0.2549020 0.0000000 0.2549020), wk = 0.0029499 k( 28) = ( 0.2647059 0.0000000 0.2647059), wk = 0.0029499 k( 29) = ( 0.2745098 0.0000000 0.2745098), wk = 0.0029499 k( 30) = ( 0.2843137 0.0000000 0.2843137), wk = 0.0029499 k( 31) = ( 0.2941177 0.0000000 0.2941177), wk = 0.0029499 k( 32) = ( 0.3039216 0.0000000 0.3039216), wk = 0.0029499 k( 33) = ( 0.3137255 0.0000000 0.3137255), wk = 0.0029499 k( 34) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0029499 k( 35) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0029499 k( 36) = ( 0.3431373 -0.0000000 0.3431373), wk = 0.0029499 k( 37) = ( 0.3529412 0.0000000 0.3529412), wk = 0.0029499 k( 38) = ( 0.3627451 -0.0000000 0.3627451), wk = 0.0029499 k( 39) = ( 0.3725490 -0.0000000 0.3725490), wk = 0.0029499 k( 40) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0029499 k( 41) = ( 0.3921569 -0.0000000 0.3921569), wk = 0.0029499 k( 42) = ( 0.4019608 -0.0000000 0.4019608), wk = 0.0029499 k( 43) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0029499 k( 44) = ( 0.4215686 -0.0000000 0.4215686), wk = 0.0029499 k( 45) = ( 0.4313726 -0.0000000 0.4313726), wk = 0.0029499 k( 46) = ( 0.4411765 -0.0000000 0.4411765), wk = 0.0029499 k( 47) = ( 0.4509804 -0.0000000 0.4509804), wk = 0.0029499 k( 48) = ( 0.4607843 -0.0000000 0.4607843), wk = 0.0029499 k( 49) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0029499 k( 50) = ( 0.4803922 -0.0000000 0.4803922), wk = 0.0029499 k( 51) = ( 0.4901961 -0.0000000 0.4901961), wk = 0.0029499 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 k( 54) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0029499 k( 55) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0029499 k( 56) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0029499 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0029499 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0029499 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0029499 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0029499 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0029499 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0029499 k( 63) = ( 0.5000000 0.0961538 0.5961539), wk = 0.0029499 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0029499 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0029499 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0029499 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0029499 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0029499 k( 69) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0029499 k( 70) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0029499 k( 71) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0029499 k( 72) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0029499 k( 73) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0029499 k( 74) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0029499 k( 75) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0029499 k( 76) = ( 0.5000000 0.2211539 0.7211539), wk = 0.0029499 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0029499 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0029499 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 81) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029499 k( 82) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029499 k( 83) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029499 k( 84) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029499 k( 85) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029499 k( 86) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029499 k( 87) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029499 k( 88) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029499 k( 89) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029499 k( 90) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029499 k( 91) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029499 k( 92) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029499 k( 93) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029499 k( 94) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029499 k( 95) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029499 k( 96) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029499 k( 97) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029499 k( 98) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 100) = ( 0.3680556 0.3680556 0.7361111), wk = 0.0029499 k( 101) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0029499 k( 102) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0029499 k( 103) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0029499 k( 104) = ( 0.3402778 0.3402778 0.6805556), wk = 0.0029499 k( 105) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0029499 k( 106) = ( 0.3263889 0.3263889 0.6527778), wk = 0.0029499 k( 107) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0029499 k( 108) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0029499 k( 109) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0029499 k( 110) = ( 0.2986111 0.2986111 0.5972222), wk = 0.0029499 k( 111) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0029499 k( 112) = ( 0.2847222 0.2847222 0.5694444), wk = 0.0029499 k( 113) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0029499 k( 114) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0029499 k( 115) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0029499 k( 116) = ( 0.2569444 0.2569444 0.5138889), wk = 0.0029499 k( 117) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029499 k( 118) = ( 0.2430556 0.2430556 0.4861111), wk = 0.0029499 k( 119) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0029499 k( 120) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0029499 k( 121) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0029499 k( 122) = ( 0.2152778 0.2152778 0.4305556), wk = 0.0029499 k( 123) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0029499 k( 124) = ( 0.2013889 0.2013889 0.4027778), wk = 0.0029499 k( 125) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0029499 k( 126) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0029499 k( 127) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0029499 k( 128) = ( 0.1736111 0.1736111 0.3472222), wk = 0.0029499 k( 129) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029499 k( 130) = ( 0.1597222 0.1597222 0.3194444), wk = 0.0029499 k( 131) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0029499 k( 132) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0029499 k( 133) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0029499 k( 134) = ( 0.1319444 0.1319444 0.2638889), wk = 0.0029499 k( 135) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0029499 k( 136) = ( 0.1180556 0.1180556 0.2361111), wk = 0.0029499 k( 137) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0029499 k( 138) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0029499 k( 139) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0029499 k( 140) = ( 0.0902778 0.0902778 0.1805556), wk = 0.0029499 k( 141) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0029499 k( 142) = ( 0.0763889 0.0763889 0.1527778), wk = 0.0029499 k( 143) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0029499 k( 144) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0029499 k( 145) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0029499 k( 146) = ( 0.0486111 0.0486111 0.0972222), wk = 0.0029499 k( 147) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0029499 k( 148) = ( 0.0347222 0.0347222 0.0694444), wk = 0.0029499 k( 149) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0029499 k( 150) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0029499 k( 151) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0029499 k( 152) = ( 0.0069444 0.0069444 0.0138889), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 155) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029499 k( 156) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029499 k( 157) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029499 k( 158) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0029499 k( 159) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029499 k( 160) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029499 k( 161) = ( 0.0795455 0.0795455 0.0795455), wk = 0.0029499 k( 162) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029499 k( 163) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029499 k( 164) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029499 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029499 k( 166) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029499 k( 167) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029499 k( 168) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029499 k( 169) = ( 0.1704546 0.1704546 0.1704546), wk = 0.0029499 k( 170) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029499 k( 171) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029499 k( 172) = ( 0.2045454 0.2045455 0.2045454), wk = 0.0029499 k( 173) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029499 k( 174) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029499 k( 175) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029499 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 k( 177) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029499 k( 178) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029499 k( 179) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029499 k( 180) = ( 0.2954545 0.2954546 0.2954546), wk = 0.0029499 k( 181) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029499 k( 182) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029499 k( 183) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0029499 k( 184) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029499 k( 185) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029499 k( 186) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029499 k( 187) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029499 k( 188) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029499 k( 189) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029499 k( 190) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029499 k( 191) = ( 0.4204545 0.4204545 0.4204546), wk = 0.0029499 k( 192) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029499 k( 193) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029499 k( 194) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0029499 k( 195) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029499 k( 196) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029499 k( 197) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029499 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 200) = ( 0.5039062 0.4921875 0.5039063), wk = 0.0029499 k( 201) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0029499 k( 202) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0029499 k( 203) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0029499 k( 204) = ( 0.5195312 0.4609375 0.5195313), wk = 0.0029499 k( 205) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0029499 k( 206) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0029499 k( 207) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0029499 k( 208) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0029499 k( 209) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0029499 k( 210) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0029499 k( 211) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0029499 k( 212) = ( 0.5507812 0.3984375 0.5507813), wk = 0.0029499 k( 213) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0029499 k( 214) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0029499 k( 215) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0029499 k( 216) = ( 0.5664062 0.3671875 0.5664063), wk = 0.0029499 k( 217) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0029499 k( 218) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0029499 k( 219) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0029499 k( 220) = ( 0.5820312 0.3359375 0.5820313), wk = 0.0029499 k( 221) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0029499 k( 222) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0029499 k( 223) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0029499 k( 224) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0029499 k( 225) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0029499 k( 226) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0029499 k( 227) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0029499 k( 228) = ( 0.6132812 0.2734375 0.6132813), wk = 0.0029499 k( 229) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0029499 k( 230) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0029499 k( 231) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 232) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 233) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029499 k( 234) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029499 k( 235) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029499 k( 236) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029499 k( 237) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029499 k( 238) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029499 k( 239) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029499 k( 240) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029499 k( 241) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029499 k( 242) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029499 k( 243) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029499 k( 244) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029499 k( 245) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029499 k( 246) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029499 k( 247) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029499 k( 248) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029499 k( 249) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029499 k( 250) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 251) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 252) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029499 k( 253) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029499 k( 254) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029499 k( 255) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029499 k( 256) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029499 k( 257) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029499 k( 258) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029499 k( 259) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029499 k( 260) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029499 k( 261) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029499 k( 262) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029499 k( 263) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029499 k( 264) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029499 k( 265) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029499 k( 266) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029499 k( 267) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029499 k( 268) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029499 k( 269) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029499 k( 270) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029499 k( 271) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029499 k( 272) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029499 k( 273) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029499 k( 274) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029499 k( 275) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029499 k( 276) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029499 k( 277) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029499 k( 278) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029499 k( 279) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029499 k( 280) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029499 k( 281) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029499 k( 282) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029499 k( 283) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029499 k( 284) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029499 k( 285) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029499 k( 286) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029499 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 288) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 289) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0029499 k( 290) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0029499 k( 291) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0029499 k( 292) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0029499 k( 293) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0029499 k( 294) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0029499 k( 295) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0029499 k( 296) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0029499 k( 297) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0029499 k( 298) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0029499 k( 299) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0029499 k( 300) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0029499 k( 301) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0029499 k( 302) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0029499 k( 303) = ( 0.4414062 0.4414063 0.6171875), wk = 0.0029499 k( 304) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0029499 k( 305) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0029499 k( 306) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0029499 k( 307) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0029499 k( 308) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0029499 k( 309) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0029499 k( 310) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0029499 k( 311) = ( 0.4101562 0.4101563 0.6796875), wk = 0.0029499 k( 312) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0029499 k( 313) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0029499 k( 314) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0029499 k( 315) = ( 0.3945312 0.3945313 0.7109375), wk = 0.0029499 k( 316) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0029499 k( 317) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0029499 k( 318) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0029499 k( 319) = ( 0.3789062 0.3789063 0.7421875), wk = 0.0029499 k( 320) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 321) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 322) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029499 k( 323) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029499 k( 324) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029499 k( 325) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029499 k( 326) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029499 k( 327) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029499 k( 328) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029499 k( 329) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029499 k( 330) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029499 k( 331) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029499 k( 332) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029499 k( 333) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029499 k( 334) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029499 k( 335) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029499 k( 336) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029499 k( 337) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029499 k( 338) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029499 k( 339) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 Dense grid: 61239 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 38949 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 280, 38) NL pseudopotentials 0.22 Mb ( 140, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1701) G-vector shells 0.00 Mb ( 446) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 280, 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 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.7 secs Computing kpt #: 9 total cpu time spent up to now is 8.3 secs Computing kpt #: 10 total cpu time spent up to now is 8.8 secs Computing kpt #: 11 total cpu time spent up to now is 9.5 secs Computing kpt #: 12 total cpu time spent up to now is 10.0 secs Computing kpt #: 13 total cpu time spent up to now is 10.5 secs Computing kpt #: 14 total cpu time spent up to now is 11.1 secs Computing kpt #: 15 total cpu time spent up to now is 11.6 secs Computing kpt #: 16 total cpu time spent up to now is 12.2 secs Computing kpt #: 17 total cpu time spent up to now is 12.7 secs Computing kpt #: 18 total cpu time spent up to now is 13.2 secs Computing kpt #: 19 total cpu time spent up to now is 13.7 secs Computing kpt #: 20 total cpu time spent up to now is 14.2 secs Computing kpt #: 21 total cpu time spent up to now is 14.7 secs Computing kpt #: 22 total cpu time spent up to now is 15.2 secs Computing kpt #: 23 total cpu time spent up to now is 15.7 secs Computing kpt #: 24 total cpu time spent up to now is 16.2 secs Computing kpt #: 25 total cpu time spent up to now is 16.7 secs Computing kpt #: 26 total cpu time spent up to now is 17.2 secs Computing kpt #: 27 total cpu time spent up to now is 17.7 secs Computing kpt #: 28 total cpu time spent up to now is 18.1 secs Computing kpt #: 29 total cpu time spent up to now is 18.5 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.3 secs Computing kpt #: 32 total cpu time spent up to now is 19.7 secs Computing kpt #: 33 total cpu time spent up to now is 20.2 secs Computing kpt #: 34 total cpu time spent up to now is 20.6 secs Computing kpt #: 35 total cpu time spent up to now is 21.0 secs Computing kpt #: 36 total cpu time spent up to now is 21.7 secs Computing kpt #: 37 total cpu time spent up to now is 22.3 secs Computing kpt #: 38 total cpu time spent up to now is 22.8 secs Computing kpt #: 39 total cpu time spent up to now is 23.4 secs Computing kpt #: 40 total cpu time spent up to now is 23.8 secs Computing kpt #: 41 total cpu time spent up to now is 24.3 secs Computing kpt #: 42 total cpu time spent up to now is 24.7 secs Computing kpt #: 43 total cpu time spent up to now is 25.1 secs Computing kpt #: 44 total cpu time spent up to now is 25.5 secs Computing kpt #: 45 total cpu time spent up to now is 25.9 secs Computing kpt #: 46 total cpu time spent up to now is 26.3 secs Computing kpt #: 47 total cpu time spent up to now is 26.7 secs Computing kpt #: 48 total cpu time spent up to now is 27.1 secs Computing kpt #: 49 total cpu time spent up to now is 27.5 secs Computing kpt #: 50 total cpu time spent up to now is 27.9 secs Computing kpt #: 51 total cpu time spent up to now is 28.3 secs Computing kpt #: 52 total cpu time spent up to now is 28.7 secs Computing kpt #: 53 total cpu time spent up to now is 29.1 secs Computing kpt #: 54 total cpu time spent up to now is 29.5 secs Computing kpt #: 55 total cpu time spent up to now is 29.9 secs Computing kpt #: 56 total cpu time spent up to now is 30.3 secs Computing kpt #: 57 total cpu time spent up to now is 30.7 secs Computing kpt #: 58 total cpu time spent up to now is 31.1 secs Computing kpt #: 59 total cpu time spent up to now is 31.5 secs Computing kpt #: 60 total cpu time spent up to now is 31.9 secs Computing kpt #: 61 total cpu time spent up to now is 32.3 secs Computing kpt #: 62 total cpu time spent up to now is 32.7 secs Computing kpt #: 63 total cpu time spent up to now is 33.2 secs Computing kpt #: 64 total cpu time spent up to now is 33.6 secs Computing kpt #: 65 total cpu time spent up to now is 34.1 secs Computing kpt #: 66 total cpu time spent up to now is 34.5 secs Computing kpt #: 67 total cpu time spent up to now is 34.9 secs Computing kpt #: 68 total cpu time spent up to now is 35.3 secs Computing kpt #: 69 total cpu time spent up to now is 35.7 secs Computing kpt #: 70 total cpu time spent up to now is 36.1 secs Computing kpt #: 71 total cpu time spent up to now is 36.6 secs Computing kpt #: 72 total cpu time spent up to now is 37.0 secs Computing kpt #: 73 total cpu time spent up to now is 37.4 secs Computing kpt #: 74 total cpu time spent up to now is 37.9 secs Computing kpt #: 75 total cpu time spent up to now is 38.3 secs Computing kpt #: 76 total cpu time spent up to now is 38.7 secs Computing kpt #: 77 total cpu time spent up to now is 39.2 secs Computing kpt #: 78 total cpu time spent up to now is 39.7 secs Computing kpt #: 79 total cpu time spent up to now is 40.1 secs Computing kpt #: 80 total cpu time spent up to now is 40.9 secs Computing kpt #: 81 total cpu time spent up to now is 41.4 secs Computing kpt #: 82 total cpu time spent up to now is 41.9 secs Computing kpt #: 83 total cpu time spent up to now is 42.4 secs Computing kpt #: 84 total cpu time spent up to now is 42.8 secs Computing kpt #: 85 total cpu time spent up to now is 43.3 secs Computing kpt #: 86 total cpu time spent up to now is 43.7 secs Computing kpt #: 87 total cpu time spent up to now is 44.1 secs Computing kpt #: 88 total cpu time spent up to now is 44.6 secs Computing kpt #: 89 total cpu time spent up to now is 45.0 secs Computing kpt #: 90 total cpu time spent up to now is 45.5 secs Computing kpt #: 91 total cpu time spent up to now is 45.9 secs Computing kpt #: 92 total cpu time spent up to now is 46.3 secs Computing kpt #: 93 total cpu time spent up to now is 46.7 secs Computing kpt #: 94 total cpu time spent up to now is 47.1 secs Computing kpt #: 95 total cpu time spent up to now is 47.5 secs Computing kpt #: 96 total cpu time spent up to now is 48.0 secs Computing kpt #: 97 total cpu time spent up to now is 48.4 secs Computing kpt #: 98 total cpu time spent up to now is 48.8 secs Computing kpt #: 99 total cpu time spent up to now is 49.3 secs Computing kpt #: 100 total cpu time spent up to now is 49.7 secs Computing kpt #: 101 total cpu time spent up to now is 50.1 secs Computing kpt #: 102 total cpu time spent up to now is 50.5 secs Computing kpt #: 103 total cpu time spent up to now is 50.9 secs Computing kpt #: 104 total cpu time spent up to now is 51.3 secs Computing kpt #: 105 total cpu time spent up to now is 51.7 secs Computing kpt #: 106 total cpu time spent up to now is 52.2 secs Computing kpt #: 107 total cpu time spent up to now is 52.6 secs Computing kpt #: 108 total cpu time spent up to now is 53.0 secs Computing kpt #: 109 total cpu time spent up to now is 53.4 secs Computing kpt #: 110 total cpu time spent up to now is 53.8 secs Computing kpt #: 111 total cpu time spent up to now is 54.3 secs Computing kpt #: 112 total cpu time spent up to now is 54.7 secs Computing kpt #: 113 total cpu time spent up to now is 55.1 secs Computing kpt #: 114 total cpu time spent up to now is 55.5 secs Computing kpt #: 115 total cpu time spent up to now is 55.9 secs Computing kpt #: 116 total cpu time spent up to now is 56.4 secs Computing kpt #: 117 total cpu time spent up to now is 56.8 secs Computing kpt #: 118 total cpu time spent up to now is 57.3 secs Computing kpt #: 119 total cpu time spent up to now is 57.7 secs Computing kpt #: 120 total cpu time spent up to now is 58.1 secs Computing kpt #: 121 total cpu time spent up to now is 58.5 secs Computing kpt #: 122 total cpu time spent up to now is 59.0 secs Computing kpt #: 123 total cpu time spent up to now is 59.4 secs Computing kpt #: 124 total cpu time spent up to now is 59.8 secs Computing kpt #: 125 total cpu time spent up to now is 60.3 secs Computing kpt #: 126 total cpu time spent up to now is 60.7 secs Computing kpt #: 127 total cpu time spent up to now is 61.1 secs Computing kpt #: 128 total cpu time spent up to now is 61.5 secs Computing kpt #: 129 total cpu time spent up to now is 62.0 secs Computing kpt #: 130 total cpu time spent up to now is 62.4 secs Computing kpt #: 131 total cpu time spent up to now is 62.8 secs Computing kpt #: 132 total cpu time spent up to now is 63.2 secs Computing kpt #: 133 total cpu time spent up to now is 63.6 secs Computing kpt #: 134 total cpu time spent up to now is 64.1 secs Computing kpt #: 135 total cpu time spent up to now is 64.5 secs Computing kpt #: 136 total cpu time spent up to now is 65.0 secs Computing kpt #: 137 total cpu time spent up to now is 65.4 secs Computing kpt #: 138 total cpu time spent up to now is 65.9 secs Computing kpt #: 139 total cpu time spent up to now is 66.4 secs Computing kpt #: 140 total cpu time spent up to now is 66.9 secs Computing kpt #: 141 total cpu time spent up to now is 67.3 secs Computing kpt #: 142 total cpu time spent up to now is 67.8 secs Computing kpt #: 143 total cpu time spent up to now is 68.3 secs Computing kpt #: 144 total cpu time spent up to now is 68.8 secs Computing kpt #: 145 total cpu time spent up to now is 69.4 secs Computing kpt #: 146 total cpu time spent up to now is 69.9 secs Computing kpt #: 147 total cpu time spent up to now is 70.5 secs Computing kpt #: 148 total cpu time spent up to now is 71.0 secs Computing kpt #: 149 total cpu time spent up to now is 71.6 secs Computing kpt #: 150 total cpu time spent up to now is 72.2 secs Computing kpt #: 151 total cpu time spent up to now is 72.8 secs Computing kpt #: 152 total cpu time spent up to now is 73.3 secs Computing kpt #: 153 total cpu time spent up to now is 73.9 secs Computing kpt #: 154 total cpu time spent up to now is 74.4 secs Computing kpt #: 155 total cpu time spent up to now is 75.0 secs Computing kpt #: 156 total cpu time spent up to now is 75.6 secs Computing kpt #: 157 total cpu time spent up to now is 76.2 secs Computing kpt #: 158 total cpu time spent up to now is 76.8 secs Computing kpt #: 159 total cpu time spent up to now is 77.4 secs Computing kpt #: 160 total cpu time spent up to now is 77.8 secs Computing kpt #: 161 total cpu time spent up to now is 78.4 secs Computing kpt #: 162 total cpu time spent up to now is 79.0 secs Computing kpt #: 163 total cpu time spent up to now is 79.4 secs Computing kpt #: 164 total cpu time spent up to now is 79.9 secs Computing kpt #: 165 total cpu time spent up to now is 80.4 secs Computing kpt #: 166 total cpu time spent up to now is 80.8 secs Computing kpt #: 167 total cpu time spent up to now is 81.3 secs Computing kpt #: 168 total cpu time spent up to now is 81.8 secs Computing kpt #: 169 total cpu time spent up to now is 82.3 secs Computing kpt #: 170 total cpu time spent up to now is 82.7 secs Computing kpt #: 171 total cpu time spent up to now is 83.1 secs Computing kpt #: 172 total cpu time spent up to now is 83.5 secs Computing kpt #: 173 total cpu time spent up to now is 84.0 secs Computing kpt #: 174 total cpu time spent up to now is 84.4 secs Computing kpt #: 175 total cpu time spent up to now is 84.8 secs Computing kpt #: 176 total cpu time spent up to now is 85.3 secs Computing kpt #: 177 total cpu time spent up to now is 85.7 secs Computing kpt #: 178 total cpu time spent up to now is 86.1 secs Computing kpt #: 179 total cpu time spent up to now is 86.5 secs Computing kpt #: 180 total cpu time spent up to now is 86.9 secs Computing kpt #: 181 total cpu time spent up to now is 87.3 secs Computing kpt #: 182 total cpu time spent up to now is 87.7 secs Computing kpt #: 183 total cpu time spent up to now is 88.1 secs Computing kpt #: 184 total cpu time spent up to now is 88.5 secs Computing kpt #: 185 total cpu time spent up to now is 88.9 secs Computing kpt #: 186 total cpu time spent up to now is 89.3 secs Computing kpt #: 187 total cpu time spent up to now is 89.7 secs Computing kpt #: 188 total cpu time spent up to now is 90.1 secs Computing kpt #: 189 total cpu time spent up to now is 90.5 secs Computing kpt #: 190 total cpu time spent up to now is 90.9 secs Computing kpt #: 191 total cpu time spent up to now is 91.3 secs Computing kpt #: 192 total cpu time spent up to now is 91.7 secs Computing kpt #: 193 total cpu time spent up to now is 92.1 secs Computing kpt #: 194 total cpu time spent up to now is 92.5 secs Computing kpt #: 195 total cpu time spent up to now is 92.9 secs Computing kpt #: 196 total cpu time spent up to now is 93.3 secs Computing kpt #: 197 total cpu time spent up to now is 93.7 secs Computing kpt #: 198 total cpu time spent up to now is 94.0 secs Computing kpt #: 199 total cpu time spent up to now is 94.4 secs Computing kpt #: 200 total cpu time spent up to now is 94.9 secs Computing kpt #: 201 total cpu time spent up to now is 95.3 secs Computing kpt #: 202 total cpu time spent up to now is 95.7 secs Computing kpt #: 203 total cpu time spent up to now is 96.1 secs Computing kpt #: 204 total cpu time spent up to now is 96.5 secs Computing kpt #: 205 total cpu time spent up to now is 96.9 secs Computing kpt #: 206 total cpu time spent up to now is 97.3 secs Computing kpt #: 207 total cpu time spent up to now is 97.7 secs Computing kpt #: 208 total cpu time spent up to now is 98.1 secs Computing kpt #: 209 total cpu time spent up to now is 98.5 secs Computing kpt #: 210 total cpu time spent up to now is 98.9 secs Computing kpt #: 211 total cpu time spent up to now is 99.4 secs Computing kpt #: 212 total cpu time spent up to now is 99.8 secs Computing kpt #: 213 total cpu time spent up to now is 100.2 secs Computing kpt #: 214 total cpu time spent up to now is 100.6 secs Computing kpt #: 215 total cpu time spent up to now is 101.1 secs Computing kpt #: 216 total cpu time spent up to now is 101.5 secs Computing kpt #: 217 total cpu time spent up to now is 102.0 secs Computing kpt #: 218 total cpu time spent up to now is 102.4 secs Computing kpt #: 219 total cpu time spent up to now is 102.8 secs Computing kpt #: 220 total cpu time spent up to now is 103.3 secs Computing kpt #: 221 total cpu time spent up to now is 103.7 secs Computing kpt #: 222 total cpu time spent up to now is 104.1 secs Computing kpt #: 223 total cpu time spent up to now is 104.6 secs Computing kpt #: 224 total cpu time spent up to now is 105.0 secs Computing kpt #: 225 total cpu time spent up to now is 105.4 secs Computing kpt #: 226 total cpu time spent up to now is 105.8 secs Computing kpt #: 227 total cpu time spent up to now is 106.3 secs Computing kpt #: 228 total cpu time spent up to now is 106.7 secs Computing kpt #: 229 total cpu time spent up to now is 107.1 secs Computing kpt #: 230 total cpu time spent up to now is 107.5 secs Computing kpt #: 231 total cpu time spent up to now is 107.9 secs Computing kpt #: 232 total cpu time spent up to now is 108.3 secs Computing kpt #: 233 total cpu time spent up to now is 108.7 secs Computing kpt #: 234 total cpu time spent up to now is 109.1 secs Computing kpt #: 235 total cpu time spent up to now is 109.5 secs Computing kpt #: 236 total cpu time spent up to now is 110.0 secs Computing kpt #: 237 total cpu time spent up to now is 110.4 secs Computing kpt #: 238 total cpu time spent up to now is 110.9 secs Computing kpt #: 239 total cpu time spent up to now is 111.3 secs Computing kpt #: 240 total cpu time spent up to now is 111.7 secs Computing kpt #: 241 total cpu time spent up to now is 112.2 secs Computing kpt #: 242 total cpu time spent up to now is 112.6 secs Computing kpt #: 243 total cpu time spent up to now is 113.1 secs Computing kpt #: 244 total cpu time spent up to now is 113.5 secs Computing kpt #: 245 total cpu time spent up to now is 114.0 secs Computing kpt #: 246 total cpu time spent up to now is 114.4 secs Computing kpt #: 247 total cpu time spent up to now is 114.9 secs Computing kpt #: 248 total cpu time spent up to now is 115.4 secs Computing kpt #: 249 total cpu time spent up to now is 115.8 secs Computing kpt #: 250 total cpu time spent up to now is 116.3 secs Computing kpt #: 251 total cpu time spent up to now is 116.7 secs Computing kpt #: 252 total cpu time spent up to now is 117.2 secs Computing kpt #: 253 total cpu time spent up to now is 117.6 secs Computing kpt #: 254 total cpu time spent up to now is 118.1 secs Computing kpt #: 255 total cpu time spent up to now is 118.6 secs Computing kpt #: 256 total cpu time spent up to now is 119.0 secs Computing kpt #: 257 total cpu time spent up to now is 119.5 secs Computing kpt #: 258 total cpu time spent up to now is 120.0 secs Computing kpt #: 259 total cpu time spent up to now is 120.4 secs Computing kpt #: 260 total cpu time spent up to now is 120.9 secs Computing kpt #: 261 total cpu time spent up to now is 121.4 secs Computing kpt #: 262 total cpu time spent up to now is 121.9 secs Computing kpt #: 263 total cpu time spent up to now is 122.3 secs Computing kpt #: 264 total cpu time spent up to now is 122.8 secs Computing kpt #: 265 total cpu time spent up to now is 123.2 secs Computing kpt #: 266 total cpu time spent up to now is 123.6 secs Computing kpt #: 267 total cpu time spent up to now is 124.1 secs Computing kpt #: 268 total cpu time spent up to now is 124.5 secs Computing kpt #: 269 total cpu time spent up to now is 124.9 secs Computing kpt #: 270 total cpu time spent up to now is 125.4 secs Computing kpt #: 271 total cpu time spent up to now is 125.8 secs Computing kpt #: 272 total cpu time spent up to now is 126.2 secs Computing kpt #: 273 total cpu time spent up to now is 126.7 secs Computing kpt #: 274 total cpu time spent up to now is 127.1 secs Computing kpt #: 275 total cpu time spent up to now is 127.5 secs Computing kpt #: 276 total cpu time spent up to now is 128.0 secs Computing kpt #: 277 total cpu time spent up to now is 128.4 secs Computing kpt #: 278 total cpu time spent up to now is 128.8 secs Computing kpt #: 279 total cpu time spent up to now is 129.2 secs Computing kpt #: 280 total cpu time spent up to now is 129.6 secs Computing kpt #: 281 total cpu time spent up to now is 130.0 secs Computing kpt #: 282 total cpu time spent up to now is 130.4 secs Computing kpt #: 283 total cpu time spent up to now is 130.8 secs Computing kpt #: 284 total cpu time spent up to now is 131.2 secs Computing kpt #: 285 total cpu time spent up to now is 131.6 secs Computing kpt #: 286 total cpu time spent up to now is 132.0 secs Computing kpt #: 287 total cpu time spent up to now is 132.4 secs Computing kpt #: 288 total cpu time spent up to now is 132.8 secs Computing kpt #: 289 total cpu time spent up to now is 133.1 secs Computing kpt #: 290 total cpu time spent up to now is 133.5 secs Computing kpt #: 291 total cpu time spent up to now is 133.9 secs Computing kpt #: 292 total cpu time spent up to now is 134.3 secs Computing kpt #: 293 total cpu time spent up to now is 134.7 secs Computing kpt #: 294 total cpu time spent up to now is 135.2 secs Computing kpt #: 295 total cpu time spent up to now is 135.6 secs Computing kpt #: 296 total cpu time spent up to now is 136.0 secs Computing kpt #: 297 total cpu time spent up to now is 136.4 secs Computing kpt #: 298 total cpu time spent up to now is 136.8 secs Computing kpt #: 299 total cpu time spent up to now is 137.2 secs Computing kpt #: 300 total cpu time spent up to now is 137.7 secs Computing kpt #: 301 total cpu time spent up to now is 138.1 secs Computing kpt #: 302 total cpu time spent up to now is 138.6 secs Computing kpt #: 303 total cpu time spent up to now is 139.0 secs Computing kpt #: 304 total cpu time spent up to now is 139.4 secs Computing kpt #: 305 total cpu time spent up to now is 139.9 secs Computing kpt #: 306 total cpu time spent up to now is 140.3 secs Computing kpt #: 307 total cpu time spent up to now is 140.7 secs Computing kpt #: 308 total cpu time spent up to now is 141.2 secs Computing kpt #: 309 total cpu time spent up to now is 141.6 secs Computing kpt #: 310 total cpu time spent up to now is 142.0 secs Computing kpt #: 311 total cpu time spent up to now is 142.5 secs Computing kpt #: 312 total cpu time spent up to now is 142.9 secs Computing kpt #: 313 total cpu time spent up to now is 143.3 secs Computing kpt #: 314 total cpu time spent up to now is 143.7 secs Computing kpt #: 315 total cpu time spent up to now is 144.1 secs Computing kpt #: 316 total cpu time spent up to now is 144.5 secs Computing kpt #: 317 total cpu time spent up to now is 144.9 secs Computing kpt #: 318 total cpu time spent up to now is 145.4 secs Computing kpt #: 319 total cpu time spent up to now is 145.8 secs Computing kpt #: 320 total cpu time spent up to now is 146.2 secs Computing kpt #: 321 total cpu time spent up to now is 146.6 secs Computing kpt #: 322 total cpu time spent up to now is 147.1 secs Computing kpt #: 323 total cpu time spent up to now is 147.5 secs Computing kpt #: 324 total cpu time spent up to now is 148.0 secs Computing kpt #: 325 total cpu time spent up to now is 148.4 secs Computing kpt #: 326 total cpu time spent up to now is 148.9 secs Computing kpt #: 327 total cpu time spent up to now is 149.3 secs Computing kpt #: 328 total cpu time spent up to now is 149.8 secs Computing kpt #: 329 total cpu time spent up to now is 150.2 secs Computing kpt #: 330 total cpu time spent up to now is 150.6 secs Computing kpt #: 331 total cpu time spent up to now is 151.1 secs Computing kpt #: 332 total cpu time spent up to now is 151.5 secs Computing kpt #: 333 total cpu time spent up to now is 151.9 secs Computing kpt #: 334 total cpu time spent up to now is 152.3 secs Computing kpt #: 335 total cpu time spent up to now is 152.7 secs Computing kpt #: 336 total cpu time spent up to now is 153.1 secs Computing kpt #: 337 total cpu time spent up to now is 153.5 secs Computing kpt #: 338 total cpu time spent up to now is 153.9 secs Computing kpt #: 339 total cpu time spent up to now is 154.4 secs ethr = 3.33E-08, avg # of iterations = 15.9 total cpu time spent up to now is 154.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4909 PWs) bands (ev): -67.0619 -67.0619 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3891 -0.3891 6.1485 6.1485 6.1485 6.1485 6.3964 6.3964 7.6790 7.6790 7.6790 7.6790 10.6892 10.6892 10.6892 10.6892 10.9706 10.9706 11.6108 11.6108 11.6108 11.6108 12.9195 12.9195 14.3793 14.3793 14.7268 14.7268 15.0557 15.0557 k = 0.0098-0.0057 0.0080 ( 4909 PWs) bands (ev): -67.0619 -67.0619 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3879 -0.3879 6.1447 6.1447 6.1524 6.1524 6.3963 6.3963 7.6726 7.6726 7.6860 7.6860 10.6867 10.6867 10.6895 10.6895 10.9695 10.9695 11.6067 11.6067 11.6112 11.6112 12.9196 12.9196 14.3696 14.3696 14.7157 14.7157 15.0449 15.0449 k = 0.0196-0.0113 0.0160 ( 4909 PWs) bands (ev): -67.0618 -67.0618 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3844 -0.3844 6.1407 6.1407 6.1567 6.1567 6.3962 6.3962 7.6666 7.6666 7.6935 7.6935 10.6818 10.6818 10.6878 10.6878 10.9664 10.9664 11.5959 11.5959 11.6112 11.6112 12.9197 12.9197 14.3414 14.3414 14.6833 14.6833 15.0227 15.0227 k = 0.0294-0.0170 0.0240 ( 4909 PWs) bands (ev): -67.0618 -67.0618 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3785 -0.3785 6.1361 6.1361 6.1617 6.1617 6.3962 6.3962 7.6611 7.6611 7.7015 7.7015 10.6742 10.6742 10.6844 10.6844 10.9612 10.9612 11.5780 11.5780 11.6110 11.6110 12.9199 12.9199 14.2973 14.2973 14.6321 14.6321 14.9964 14.9964 k = 0.0392-0.0226 0.0320 ( 4901 PWs) bands (ev): -67.0610 -67.0610 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3703 -0.3703 6.1304 6.1304 6.1676 6.1676 6.3964 6.3964 7.6567 7.6567 7.7105 7.7105 10.6643 10.6643 10.6792 10.6792 10.9539 10.9539 11.5646 11.5646 11.6107 11.6107 12.9199 12.9199 14.2407 14.2407 14.5657 14.5657 14.9713 14.9713 k = 0.0490-0.0283 0.0400 ( 4909 PWs) bands (ev): -67.0618 -67.0618 -36.8500 -36.8500 -35.6496 -35.6496 -35.6495 -35.6495 -0.3597 -0.3597 6.1230 6.1230 6.1743 6.1743 6.3971 6.3971 7.6522 7.6522 7.7192 7.7192 10.6484 10.6484 10.6704 10.6704 10.9425 10.9425 11.5324 11.5324 11.6089 11.6089 12.9194 12.9194 14.1736 14.1736 14.4863 14.4863 14.9484 14.9484 k = 0.0588-0.0340 0.0480 ( 4897 PWs) bands (ev): -67.0606 -67.0606 -36.8500 -36.8500 -35.6496 -35.6496 -35.6495 -35.6495 -0.3468 -0.3468 6.1141 6.1141 6.1824 6.1824 6.3991 6.3991 7.6487 7.6487 7.7291 7.7291 10.6352 10.6353 10.6637 10.6637 10.9336 10.9336 11.5021 11.5021 11.6087 11.6087 12.9185 12.9185 14.1005 14.1005 14.4010 14.4010 14.9274 14.9274 k = 0.0686-0.0396 0.0560 ( 4881 PWs) bands (ev): -67.0590 -67.0590 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3316 -0.3316 6.1030 6.1030 6.1919 6.1919 6.4027 6.4027 7.6457 7.6457 7.7391 7.7391 10.6215 10.6215 10.6574 10.6574 10.9251 10.9251 11.4592 11.4592 11.6123 11.6123 12.9168 12.9168 14.0226 14.0226 14.3111 14.3111 14.9058 14.9058 k = 0.0784-0.0453 0.0640 ( 4889 PWs) bands (ev): -67.0598 -67.0598 -36.8500 -36.8500 -35.6496 -35.6496 -35.6495 -35.6495 -0.3142 -0.3142 6.0891 6.0891 6.2021 6.2021 6.4072 6.4072 7.6427 7.6427 7.7489 7.7489 10.5988 10.5988 10.6432 10.6432 10.9089 10.9089 11.4066 11.4067 11.6112 11.6112 12.9128 12.9128 13.9388 13.9388 14.2146 14.2146 14.8797 14.8797 k = 0.0882-0.0509 0.0720 ( 4889 PWs) bands (ev): -67.0598 -67.0598 -36.8500 -36.8500 -35.6496 -35.6496 -35.6495 -35.6495 -0.2946 -0.2946 6.0728 6.0728 6.2136 6.2136 6.4138 6.4138 7.6402 7.6402 7.7590 7.7590 10.5754 10.5754 10.6313 10.6313 10.8953 10.8953 11.3452 11.3452 11.6127 11.6127 12.9080 12.9080 13.8521 13.8521 14.1164 14.1164 14.8518 14.8518 k = 0.0980-0.0566 0.0800 ( 4885 PWs) bands (ev): -67.0594 -67.0594 -36.8500 -36.8500 -35.6496 -35.6496 -35.6495 -35.6495 -0.2727 -0.2727 6.0538 6.0538 6.2264 6.2264 6.4223 6.4223 7.6384 7.6384 7.7698 7.7698 10.5497 10.5497 10.6170 10.6170 10.8804 10.8804 11.2873 11.2873 11.6120 11.6120 12.9010 12.9010 13.7630 13.7630 14.0164 14.0164 14.8217 14.8217 k = 0.1078-0.0623 0.0881 ( 4885 PWs) bands (ev): -67.0595 -67.0595 -36.8500 -36.8500 -35.6496 -35.6496 -35.6496 -35.6496 -0.2487 -0.2487 6.0321 6.0321 6.2403 6.2403 6.4327 6.4327 7.6370 7.6370 7.7805 7.7805 10.5212 10.5212 10.6006 10.6006 10.8651 10.8651 11.2207 11.2208 11.6112 11.6112 12.8914 12.8914 13.6717 13.6717 13.9152 13.9152 14.7902 14.7902 k = 0.1176-0.0679 0.0961 ( 4881 PWs) bands (ev): -67.0590 -67.0590 -36.8500 -36.8500 -35.6496 -35.6496 -35.6496 -35.6496 -0.2226 -0.2226 6.0079 6.0079 6.2554 6.2554 6.4451 6.4451 7.6363 7.6363 7.7916 7.7916 10.4908 10.4908 10.5822 10.5822 10.8497 10.8497 11.1507 11.1507 11.6158 11.6158 12.8788 12.8788 13.5791 13.5791 13.8137 13.8137 14.7582 14.7582 k = 0.1275-0.0736 0.1041 ( 4877 PWs) bands (ev): -67.0586 -67.0586 -36.8500 -36.8500 -35.6496 -35.6496 -35.6496 -35.6496 -0.1943 -0.1943 5.9813 5.9813 6.2717 6.2717 6.4594 6.4594 7.6358 7.6358 7.8026 7.8026 10.4591 10.4591 10.5628 10.5628 10.8359 10.8359 11.0776 11.0776 11.6150 11.6150 12.8635 12.8635 13.4860 13.4860 13.7125 13.7125 14.7269 14.7269 k = 0.1373-0.0792 0.1121 ( 4869 PWs) bands (ev): -67.0578 -67.0578 -36.8501 -36.8501 -35.6497 -35.6497 -35.6496 -35.6496 -0.1641 -0.1641 5.9525 5.9525 6.2890 6.2890 6.4755 6.4755 7.6363 7.6363 7.8141 7.8141 10.4235 10.4235 10.5401 10.5401 10.8225 10.8225 11.0040 11.0040 11.6229 11.6229 12.8457 12.8457 13.3911 13.3911 13.6102 13.6102 14.6965 14.6965 k = 0.1471-0.0849 0.1201 ( 4869 PWs) bands (ev): -67.0578 -67.0578 -36.8501 -36.8501 -35.6497 -35.6497 -35.6496 -35.6496 -0.1319 -0.1319 5.9216 5.9216 6.3074 6.3074 6.4932 6.4932 7.6365 7.6365 7.8250 7.8250 10.3862 10.3862 10.5151 10.5151 10.8096 10.8096 10.9259 10.9259 11.6219 11.6219 12.8234 12.8234 13.2963 13.2963 13.5085 13.5085 14.6672 14.6672 k = 0.1569-0.0906 0.1281 ( 4857 PWs) bands (ev): -67.0566 -67.0566 -36.8501 -36.8501 -35.6497 -35.6497 -35.6496 -35.6496 -0.0978 -0.0978 5.8891 5.8891 6.3270 6.3270 6.5127 6.5127 7.6375 7.6375 7.8362 7.8362 10.3479 10.3479 10.4901 10.4901 10.8018 10.8018 10.8470 10.8470 11.6263 11.6263 12.8003 12.8003 13.2024 13.2024 13.4081 13.4081 14.6392 14.6392 k = 0.1667-0.0962 0.1361 ( 4857 PWs) bands (ev): -67.0566 -67.0566 -36.8501 -36.8501 -35.6498 -35.6498 -35.6496 -35.6496 -0.0618 -0.0618 5.8546 5.8546 6.3474 6.3474 6.5336 6.5336 7.6385 7.6385 7.8468 7.8468 10.3059 10.3059 10.4603 10.4603 10.7637 10.7638 10.7954 10.7954 11.6253 11.6253 12.7709 12.7709 13.1081 13.1081 13.3074 13.3074 14.6126 14.6126 k = 0.1765-0.1019 0.1441 ( 4857 PWs) bands (ev): -67.0566 -67.0566 -36.8501 -36.8501 -35.6498 -35.6498 -35.6496 -35.6496 -0.0241 -0.0241 5.8186 5.8186 6.3688 6.3688 6.5559 6.5559 7.6398 7.6398 7.8572 7.8572 10.2611 10.2611 10.4283 10.4283 10.6862 10.6862 10.7854 10.7854 11.6243 11.6243 12.7377 12.7377 13.0147 13.0147 13.2073 13.2073 14.5875 14.5875 k = 0.1863-0.1075 0.1521 ( 4861 PWs) bands (ev): -67.0570 -67.0570 -36.8502 -36.8502 -35.6499 -35.6499 -35.6496 -35.6496 0.0152 0.0152 5.7814 5.7814 6.3911 6.3911 6.5795 6.5795 7.6412 7.6412 7.8671 7.8671 10.2130 10.2130 10.3935 10.3935 10.6097 10.6097 10.7777 10.7777 11.6182 11.6182 12.7006 12.7006 12.9226 12.9226 13.1079 13.1079 14.5643 14.5643 k = 0.1961-0.1132 0.1601 ( 4857 PWs) bands (ev): -67.0565 -67.0565 -36.8502 -36.8502 -35.6499 -35.6499 -35.6496 -35.6496 0.0562 0.0562 5.7431 5.7431 6.4143 6.4143 6.6044 6.6044 7.6431 7.6431 7.8768 7.8768 10.1617 10.1617 10.3587 10.3587 10.5342 10.5342 10.7740 10.7740 11.6180 11.6180 12.6600 12.6600 12.8346 12.8346 13.0111 13.0111 14.5412 14.5412 k = 0.2059-0.1189 0.1681 ( 4857 PWs) bands (ev): -67.0565 -67.0565 -36.8502 -36.8502 -35.6500 -35.6500 -35.6497 -35.6497 0.0987 0.0987 5.7038 5.7038 6.4382 6.4382 6.6303 6.6303 7.6454 7.6454 7.8862 7.8862 10.1055 10.1055 10.3197 10.3197 10.4649 10.4649 10.7699 10.7699 11.6169 11.6169 12.6134 12.6134 12.7492 12.7492 12.9140 12.9140 14.5203 14.5203 k = 0.2157-0.1245 0.1761 ( 4857 PWs) bands (ev): -67.0565 -67.0565 -36.8503 -36.8503 -35.6500 -35.6500 -35.6497 -35.6497 0.1426 0.1426 5.6638 5.6638 6.4628 6.4628 6.6571 6.6571 7.6479 7.6479 7.8951 7.8951 10.0445 10.0445 10.2782 10.2782 10.4012 10.4012 10.7675 10.7675 11.6148 11.6148 12.5596 12.5596 12.6709 12.6709 12.8181 12.8181 14.5010 14.5010 k = 0.2255-0.1302 0.1841 ( 4857 PWs) bands (ev): -67.0564 -67.0564 -36.8503 -36.8503 -35.6501 -35.6501 -35.6497 -35.6497 0.1878 0.1878 5.6231 5.6231 6.4879 6.4879 6.6848 6.6848 7.6508 7.6508 7.9036 7.9036 9.9787 9.9787 10.2344 10.2344 10.3432 10.3432 10.7664 10.7664 11.6136 11.6136 12.4954 12.4954 12.6026 12.6027 12.7232 12.7232 14.4828 14.4828 k = 0.2353-0.1358 0.1921 ( 4857 PWs) bands (ev): -67.0564 -67.0564 -36.8503 -36.8503 -35.6501 -35.6501 -35.6497 -35.6497 0.2341 0.2341 5.5819 5.5819 6.5137 6.5137 6.7133 6.7133 7.6540 7.6540 7.9116 7.9116 9.9079 9.9079 10.1895 10.1895 10.2906 10.2906 10.7666 10.7666 11.6125 11.6125 12.4217 12.4217 12.5443 12.5443 12.6303 12.6303 14.4657 14.4657 k = 0.2451-0.1415 0.2001 ( 4849 PWs) bands (ev): -67.0555 -67.0555 -36.8503 -36.8503 -35.6501 -35.6501 -35.6497 -35.6497 0.2815 0.2815 5.5404 5.5404 6.5399 6.5399 6.7424 6.7424 7.6578 7.6578 7.9195 7.9195 9.8340 9.8340 10.1443 10.1443 10.2430 10.2430 10.7696 10.7696 11.6178 11.6178 12.3435 12.3435 12.4933 12.4933 12.5396 12.5397 14.4498 14.4498 k = 0.2549-0.1472 0.2081 ( 4841 PWs) bands (ev): -67.0547 -67.0547 -36.8503 -36.8503 -35.6502 -35.6502 -35.6497 -35.6497 0.3299 0.3299 5.4988 5.4988 6.5666 6.5666 6.7721 6.7721 7.6618 7.6618 7.9266 7.9266 9.7573 9.7573 10.1007 10.1007 10.1996 10.1996 10.7736 10.7736 11.6166 11.6166 12.2651 12.2651 12.4407 12.4407 12.4576 12.4576 14.4359 14.4359 k = 0.2647-0.1528 0.2161 ( 4841 PWs) bands (ev): -67.0547 -67.0547 -36.8504 -36.8504 -35.6502 -35.6502 -35.6498 -35.6498 0.3790 0.3790 5.4570 5.4570 6.5935 6.5935 6.8021 6.8021 7.6661 7.6661 7.9332 7.9332 9.6768 9.6768 10.0561 10.0561 10.1567 10.1567 10.7777 10.7777 11.6154 11.6154 12.1849 12.1849 12.3603 12.3603 12.4040 12.4040 14.4219 14.4219 k = 0.2745-0.1585 0.2241 ( 4841 PWs) bands (ev): -67.0546 -67.0546 -36.8504 -36.8504 -35.6503 -35.6503 -35.6498 -35.6498 0.4287 0.4287 5.4152 5.4152 6.6205 6.6205 6.8322 6.8322 7.6709 7.6709 7.9393 7.9393 9.5948 9.5948 10.0126 10.0126 10.1153 10.1153 10.7830 10.7830 11.6141 11.6141 12.1060 12.1060 12.2751 12.2751 12.3588 12.3588 14.4089 14.4089 k = 0.2843-0.1641 0.2321 ( 4845 PWs) bands (ev): -67.0550 -67.0550 -36.8504 -36.8504 -35.6503 -35.6503 -35.6498 -35.6498 0.4789 0.4789 5.3736 5.3736 6.6475 6.6475 6.8624 6.8624 7.6763 7.6763 7.9450 7.9450 9.5114 9.5114 9.9693 9.9693 10.0743 10.0743 10.7892 10.7892 11.6126 11.6126 12.0276 12.0276 12.1905 12.1905 12.3153 12.3153 14.3961 14.3961 k = 0.2941-0.1698 0.2401 ( 4845 PWs) bands (ev): -67.0549 -67.0549 -36.8505 -36.8505 -35.6504 -35.6504 -35.6499 -35.6499 0.5294 0.5294 5.3324 5.3324 6.6746 6.6746 6.8926 6.8926 7.6824 7.6824 7.9503 7.9503 9.4285 9.4285 9.9279 9.9279 10.0352 10.0352 10.7966 10.7966 11.6111 11.6111 11.9525 11.9525 12.1092 12.1092 12.2742 12.2742 14.3848 14.3848 k = 0.3039-0.1755 0.2482 ( 4869 PWs) bands (ev): -67.0572 -67.0572 -36.8505 -36.8505 -35.6505 -35.6505 -35.6499 -35.6499 0.5800 0.5800 5.2914 5.2914 6.7013 6.7013 6.9221 6.9221 7.6887 7.6887 7.9548 7.9548 9.3454 9.3454 9.8829 9.8829 9.9922 9.9922 10.8026 10.8026 11.6034 11.6034 11.8718 11.8718 12.0228 12.0228 12.2336 12.2336 14.3735 14.3735 k = 0.3137-0.1811 0.2562 ( 4869 PWs) bands (ev): -67.0572 -67.0572 -36.8506 -36.8506 -35.6505 -35.6505 -35.6500 -35.6500 0.6305 0.6305 5.2511 5.2511 6.7280 6.7280 6.9516 6.9516 7.6965 7.6965 7.9594 7.9594 9.2630 9.2630 9.8440 9.8440 9.9555 9.9555 10.8115 10.8115 11.6011 11.6011 11.8021 11.8021 11.9475 11.9475 12.1953 12.1953 14.3630 14.3630 k = 0.3235-0.1868 0.2642 ( 4865 PWs) bands (ev): -67.0568 -67.0568 -36.8506 -36.8506 -35.6506 -35.6506 -35.6500 -35.6500 0.6808 0.6808 5.2116 5.2116 6.7543 6.7543 6.9805 6.9805 7.7052 7.7052 7.9637 7.9637 9.1830 9.1830 9.8061 9.8061 9.9199 9.9199 10.8213 10.8213 11.5984 11.5984 11.7355 11.7355 11.8757 11.8757 12.1613 12.1613 14.3546 14.3546 k = 0.3333-0.1925 0.2722 ( 4877 PWs) bands (ev): -67.0580 -67.0580 -36.8506 -36.8506 -35.6507 -35.6507 -35.6500 -35.6500 0.7305 0.7305 5.1728 5.1728 6.7801 6.7801 7.0084 7.0084 7.7147 7.7147 7.9675 7.9675 9.1031 9.1031 9.7666 9.7666 9.8827 9.8827 10.8304 10.8304 11.5929 11.5929 11.6664 11.6664 11.8034 11.8034 12.1263 12.1263 14.3446 14.3446 k = 0.3431-0.1981 0.2802 ( 4868 PWs) bands (ev): -67.0571 -67.0571 -36.8507 -36.8507 -35.6507 -35.6507 -35.6500 -35.6500 0.7794 0.7794 5.1351 5.1351 6.8054 6.8054 7.0355 7.0355 7.7256 7.7256 7.9713 7.9713 9.0264 9.0264 9.7312 9.7312 9.8502 9.8502 10.8428 10.8428 11.5859 11.5859 11.6077 11.6077 11.7434 11.7434 12.0972 12.0972 14.3373 14.3373 k = 0.3529-0.2038 0.2882 ( 4868 PWs) bands (ev): -67.0571 -67.0571 -36.8507 -36.8507 -35.6507 -35.6507 -35.6500 -35.6500 0.8274 0.8274 5.0984 5.0984 6.8301 6.8301 7.0613 7.0613 7.7376 7.7376 7.9747 7.9747 8.9517 8.9517 9.6955 9.6955 9.8174 9.8174 10.8534 10.8534 11.5490 11.5490 11.5717 11.5717 11.6908 11.6908 12.0687 12.0687 14.3301 14.3301 k = 0.3627-0.2094 0.2962 ( 4864 PWs) bands (ev): -67.0567 -67.0567 -36.8507 -36.8507 -35.6507 -35.6507 -35.6500 -35.6500 0.8742 0.8742 5.0629 5.0629 6.8540 6.8540 7.0859 7.0859 7.7507 7.7507 7.9780 7.9780 8.8797 8.8797 9.6609 9.6609 9.7864 9.7864 10.8641 10.8641 11.4948 11.4948 11.5460 11.5460 11.6577 11.6577 12.0427 12.0427 14.3231 14.3231 k = 0.3725-0.2151 0.3042 ( 4856 PWs) bands (ev): -67.0559 -67.0559 -36.8507 -36.8507 -35.6507 -35.6507 -35.6500 -35.6500 0.9194 0.9194 5.0290 5.0290 6.8771 6.8771 7.1089 7.1089 7.7649 7.7649 7.9809 7.9809 8.8109 8.8109 9.6280 9.6280 9.7575 9.7575 10.8754 10.8754 11.4465 11.4465 11.5067 11.5068 11.6406 11.6406 12.0199 12.0199 14.3176 14.3176 k = 0.3824-0.2208 0.3122 ( 4848 PWs) bands (ev): -67.0551 -67.0551 -36.8507 -36.8507 -35.6507 -35.6507 -35.6500 -35.6500 0.9629 0.9629 4.9965 4.9965 6.8994 6.8994 7.1302 7.1302 7.7800 7.7800 7.9835 7.9835 8.7454 8.7454 9.5959 9.5959 9.7298 9.7298 10.8883 10.8883 11.4010 11.4010 11.4615 11.4615 11.6331 11.6331 11.9994 11.9994 14.3120 14.3120 k = 0.3922-0.2264 0.3202 ( 4848 PWs) bands (ev): -67.0551 -67.0551 -36.8507 -36.8507 -35.6508 -35.6508 -35.6500 -35.6500 1.0042 1.0042 4.9658 4.9658 6.9208 6.9208 7.1495 7.1495 7.7959 7.7959 7.9856 7.9856 8.6834 8.6834 9.5644 9.5644 9.7031 9.7031 10.8983 10.8983 11.3569 11.3569 11.4135 11.4135 11.6282 11.6282 11.9801 11.9801 14.3069 14.3069 k = 0.4020-0.2321 0.3282 ( 4848 PWs) bands (ev): -67.0550 -67.0550 -36.8507 -36.8507 -35.6508 -35.6508 -35.6500 -35.6500 1.0433 1.0433 4.9368 4.9368 6.9411 6.9411 7.1669 7.1669 7.8124 7.8124 7.9873 7.9873 8.6256 8.6256 9.5341 9.5341 9.6779 9.6779 10.9096 10.9096 11.3154 11.3154 11.3661 11.3661 11.6270 11.6270 11.9626 11.9626 14.3014 14.3014 k = 0.4118-0.2377 0.3362 ( 4848 PWs) bands (ev): -67.0550 -67.0550 -36.8508 -36.8508 -35.6508 -35.6508 -35.6501 -35.6501 1.0797 1.0797 4.9099 4.9099 6.9605 6.9605 7.1821 7.1821 7.8292 7.8292 7.9885 7.9885 8.5722 8.5722 9.5057 9.5057 9.6549 9.6549 10.9183 10.9183 11.2791 11.2791 11.3229 11.3229 11.6250 11.6250 11.9475 11.9475 14.2973 14.2973 k = 0.4216-0.2434 0.3442 ( 4852 PWs) bands (ev): -67.0554 -67.0554 -36.8508 -36.8508 -35.6509 -35.6509 -35.6501 -35.6501 1.1132 1.1132 4.8852 4.8852 6.9787 6.9787 7.1952 7.1952 7.8461 7.8461 7.9891 7.9891 8.5235 8.5235 9.4787 9.4787 9.6334 9.6334 10.9261 10.9261 11.2440 11.2440 11.2803 11.2803 11.6262 11.6262 11.9332 11.9332 14.2926 14.2926 k = 0.4314-0.2491 0.3522 ( 4852 PWs) bands (ev): -67.0554 -67.0554 -36.8508 -36.8508 -35.6509 -35.6509 -35.6501 -35.6501 1.1435 1.1435 4.8630 4.8630 6.9958 6.9958 7.2061 7.2061 7.8628 7.8628 7.9891 7.9891 8.4801 8.4801 9.4545 9.4545 9.6147 9.6147 10.9331 10.9331 11.2157 11.2157 11.2443 11.2443 11.6252 11.6252 11.9220 11.9220 14.2895 14.2895 k = 0.4412-0.2547 0.3602 ( 4840 PWs) bands (ev): -67.0542 -67.0542 -36.8508 -36.8508 -35.6509 -35.6509 -35.6501 -35.6501 1.1704 1.1704 4.8435 4.8435 7.0115 7.0115 7.2148 7.2148 7.8791 7.8791 7.9886 7.9886 8.4422 8.4422 9.4334 9.4334 9.5989 9.5989 10.9403 10.9403 11.1959 11.1960 11.2171 11.2171 11.6264 11.6264 11.9156 11.9156 14.2881 14.2881 k = 0.4510-0.2604 0.3682 ( 4840 PWs) bands (ev): -67.0543 -67.0543 -36.8508 -36.8508 -35.6509 -35.6509 -35.6501 -35.6501 1.1936 1.1936 4.8265 4.8265 7.0256 7.0256 7.2215 7.2215 7.8946 7.8946 7.9869 7.9869 8.4096 8.4096 9.4143 9.4143 9.5847 9.5847 10.9453 10.9453 11.1758 11.1758 11.1897 11.1897 11.6259 11.6259 11.9077 11.9077 14.2858 14.2858 k = 0.4608-0.2660 0.3762 ( 4840 PWs) bands (ev): -67.0543 -67.0543 -36.8508 -36.8508 -35.6509 -35.6509 -35.6501 -35.6501 1.2129 1.2129 4.8125 4.8125 7.0379 7.0379 7.2263 7.2263 7.9090 7.9090 7.9844 7.9844 8.3828 8.3828 9.3981 9.3981 9.5729 9.5729 10.9494 10.9494 11.1597 11.1597 11.1669 11.1669 11.6255 11.6255 11.9013 11.9013 14.2839 14.2839 k = 0.4706-0.2717 0.3842 ( 4844 PWs) bands (ev): -67.0547 -67.0547 -36.8508 -36.8508 -35.6509 -35.6509 -35.6501 -35.6501 1.2282 1.2282 4.8014 4.8014 7.0479 7.0479 7.2295 7.2295 7.9219 7.9219 7.9808 7.9808 8.3618 8.3618 9.3851 9.3851 9.5635 9.5635 10.9523 10.9523 11.1458 11.1458 11.1473 11.1473 11.6231 11.6231 11.8965 11.8965 14.2825 14.2825 k = 0.4804-0.2774 0.3922 ( 4852 PWs) bands (ev): -67.0554 -67.0554 -36.8508 -36.8508 -35.6509 -35.6509 -35.6501 -35.6501 1.2391 1.2391 4.7934 4.7934 7.0554 7.0554 7.2314 7.2314 7.9329 7.9329 7.9763 7.9763 8.3465 8.3465 9.3757 9.3757 9.5568 9.5568 10.9509 10.9509 11.1339 11.1339 11.1368 11.1368 11.6194 11.6194 11.8904 11.8904 14.2812 14.2812 k = 0.4902-0.2830 0.4002 ( 4860 PWs) bands (ev): -67.0562 -67.0562 -36.8508 -36.8508 -35.6510 -35.6510 -35.6501 -35.6501 1.2457 1.2457 4.7883 4.7883 7.0600 7.0600 7.2324 7.2324 7.9414 7.9414 7.9716 7.9716 8.3375 8.3375 9.3697 9.3697 9.5526 9.5526 10.9516 10.9516 11.1235 11.1235 11.1295 11.1295 11.6193 11.6193 11.8837 11.8837 14.2786 14.2786 k = 0.5000-0.2887 0.4082 ( 4880 PWs) bands (ev): -67.0582 -67.0582 -36.8509 -36.8509 -35.6511 -35.6511 -35.6502 -35.6502 1.2479 1.2479 4.7865 4.7865 7.0615 7.0615 7.2326 7.2326 7.9447 7.9447 7.9690 7.9690 8.3342 8.3342 9.3670 9.3670 9.5505 9.5505 10.9480 10.9480 11.1127 11.1127 11.1204 11.1204 11.6156 11.6156 11.8795 11.8795 14.2770 14.2770 k = 0.5000-0.2887 0.4082 ( 4880 PWs) bands (ev): -67.0582 -67.0582 -36.8509 -36.8509 -35.6511 -35.6511 -35.6502 -35.6502 1.2479 1.2479 4.7865 4.7865 7.0615 7.0615 7.2326 7.2326 7.9447 7.9447 7.9690 7.9690 8.3342 8.3342 9.3670 9.3670 9.5505 9.5505 10.9480 10.9480 11.1127 11.1127 11.1204 11.1204 11.6156 11.6156 11.8795 11.8795 14.2770 14.2770 k = 0.5000-0.2776 0.4161 ( 4860 PWs) bands (ev): -67.0562 -67.0562 -36.8509 -36.8508 -35.6510 -35.6510 -35.6501 -35.6501 1.2462 1.2498 4.7864 4.7900 7.0432 7.0780 7.2116 7.2537 7.8937 7.9540 7.9553 8.0235 8.3333 8.3370 9.3453 9.3861 9.5442 9.5595 10.9464 10.9603 11.1119 11.1142 11.1173 11.1379 11.6219 11.6248 11.8840 11.8849 14.2823 14.2839 k = 0.5000-0.2665 0.4240 ( 4856 PWs) bands (ev): -67.0558 -67.0558 -36.8509 -36.8508 -35.6510 -35.6510 -35.6501 -35.6501 1.2445 1.2516 4.7894 4.7966 7.0224 7.0928 7.1906 7.2741 7.8280 7.9533 7.9576 8.0804 8.3327 8.3402 9.3211 9.3996 9.5410 9.5688 10.9363 10.9626 11.1003 11.1103 11.1152 11.1493 11.6287 11.6346 11.8840 11.8859 14.2972 14.3002 k = 0.5000-0.2554 0.4318 ( 4854 PWs) bands (ev): -67.0556 -67.0556 -36.8509 -36.8508 -35.6510 -35.6509 -35.6501 -35.6501 1.2427 1.2534 4.7955 4.8064 6.9987 7.1062 7.1699 7.2940 7.7589 7.9525 7.9613 8.1343 8.3329 8.3442 9.2955 9.4061 9.5423 9.5780 10.9244 10.9602 11.0827 11.0987 11.1152 11.1609 11.6386 11.6482 11.8846 11.8872 14.3225 14.3266 k = 0.5000-0.2443 0.4397 ( 4854 PWs) bands (ev): -67.0556 -67.0556 -36.8509 -36.8508 -35.6511 -35.6509 -35.6501 -35.6501 1.2410 1.2553 4.8048 4.8193 6.9717 7.1182 7.1501 7.3129 7.6875 7.9522 7.9655 8.1847 8.3337 8.3488 9.2692 9.4051 9.5487 9.5866 10.9112 10.9535 11.0617 11.0825 11.1158 11.1710 11.6501 11.6641 11.8857 11.8889 14.3580 14.3631 k = 0.5000-0.2332 0.4475 ( 4856 PWs) bands (ev): -67.0558 -67.0558 -36.8509 -36.8508 -35.6511 -35.6509 -35.6501 -35.6501 1.2393 1.2570 4.8172 4.8356 6.9411 7.1290 7.1314 7.3305 7.6144 7.9523 7.9704 8.2312 8.3349 8.3541 9.2431 9.3979 9.5589 9.5945 10.8968 10.9425 11.0410 11.0657 11.1176 11.1796 11.6585 11.6779 11.8876 11.8906 14.4042 14.4099 k = 0.5000-0.2221 0.4554 ( 4860 PWs) bands (ev): -67.0562 -67.0562 -36.8509 -36.8508 -35.6511 -35.6509 -35.6502 -35.6502 1.2377 1.2588 4.8328 4.8550 6.9066 7.1140 7.1386 7.3454 7.5419 7.9525 7.9760 8.2739 8.3369 8.3600 9.2173 9.3861 9.5710 9.6013 10.8806 10.9275 11.0161 11.0435 11.1185 11.1856 11.6686 11.6940 11.8922 11.8949 14.4608 14.4666 k = 0.5000-0.2110 0.4632 ( 4864 PWs) bands (ev): -67.0566 -67.0566 -36.8510 -36.8508 -35.6511 -35.6509 -35.6502 -35.6502 1.2361 1.2606 4.8513 4.8774 6.8682 7.0981 7.1470 7.3517 7.4760 7.9527 7.9824 8.3127 8.3394 8.3667 9.1925 9.3715 9.5835 9.6070 10.8646 10.9107 10.9899 11.0192 11.1206 11.1912 11.6813 11.7128 11.8951 11.8973 14.5261 14.5315 k = 0.5000-0.1999 0.4711 ( 4866 PWs) bands (ev): -67.0568 -67.0568 -36.8510 -36.8507 -35.6511 -35.6509 -35.6502 -35.6502 1.2346 1.2623 4.8729 4.9031 6.8260 7.0836 7.1543 7.3283 7.4384 7.9529 7.9896 8.3424 8.3475 8.3741 9.1691 9.3553 9.5958 9.6117 10.8477 10.8910 10.9634 10.9940 11.1233 11.1956 11.6944 11.7324 11.9014 11.9029 14.6018 14.6063 k = 0.5000-0.1887 0.4789 ( 4862 PWs) bands (ev): -67.0564 -67.0564 -36.8510 -36.8507 -35.6511 -35.6508 -35.6502 -35.6502 1.2332 1.2639 4.8975 4.9318 6.7802 7.0704 7.1597 7.2670 7.4384 7.9530 7.9976 8.3460 8.3772 8.3832 9.1475 9.3383 9.6075 9.6155 10.8338 10.8731 10.9380 10.9696 11.1294 11.2024 11.7100 11.7542 11.9063 11.9072 14.6859 14.6888 k = 0.5000-0.1776 0.4868 ( 4858 PWs) bands (ev): -67.0559 -67.0559 -36.8510 -36.8507 -35.6511 -35.6508 -35.6502 -35.6502 1.2318 1.2656 4.9249 4.9636 6.7310 7.0585 7.1575 7.1978 7.4518 7.9528 8.0063 8.3497 8.3891 8.4058 9.1280 9.3211 9.6172 9.6183 10.8215 10.8554 10.9133 10.9456 11.1378 11.2104 11.7211 11.7724 11.9109 11.9116 14.7786 14.7795 k = 0.5000-0.1665 0.4946 ( 4858 PWs) bands (ev): -67.0559 -67.0559 -36.8510 -36.8507 -35.6511 -35.6508 -35.6502 -35.6502 1.2304 1.2672 4.9553 4.9985 6.6787 7.0476 7.0999 7.1782 7.4690 7.9522 8.0156 8.3536 8.3973 8.4283 9.1106 9.3035 9.6199 9.6252 10.8079 10.8365 10.8892 10.9219 11.1429 11.2152 11.7304 11.7885 11.9146 11.9168 14.8776 14.8795 k = 0.5000-0.1554 0.5025 ( 4858 PWs) bands (ev): -67.0559 -67.0559 -36.8510 -36.8507 -35.6511 -35.6508 -35.6502 -35.6502 1.2292 1.2687 4.9884 5.0363 6.6237 7.0180 7.0376 7.1801 7.4876 7.9513 8.0255 8.3574 8.4049 8.4472 9.0955 9.2861 9.6204 9.6311 10.7958 10.8185 10.8675 10.9005 11.1488 11.2204 11.7347 11.7999 11.9186 11.9228 14.9830 14.9883 k = 0.5000-0.1443 0.5103 ( 4866 PWs) bands (ev): -67.0567 -67.0566 -36.8510 -36.8507 -35.6511 -35.6508 -35.6503 -35.6502 1.2280 1.2701 5.0243 5.0772 6.5661 6.9332 7.0285 7.1830 7.5071 7.9497 8.0357 8.3611 8.4120 8.4627 9.0825 9.2691 9.6198 9.6352 10.7810 10.7977 10.8433 10.8767 11.1505 11.2212 11.7392 11.8107 11.9217 11.9273 15.0948 15.1041 k = 0.5000-0.1332 0.5182 ( 4866 PWs) bands (ev): -67.0566 -67.0566 -36.8510 -36.8507 -35.6511 -35.6507 -35.6503 -35.6503 1.2269 1.2715 5.0629 5.1210 6.5064 6.8474 7.0203 7.1856 7.5270 7.9477 8.0466 8.3648 8.4183 8.4755 9.0720 9.2531 9.6184 9.6377 10.7697 10.7805 10.8230 10.8567 11.1551 11.2246 11.7426 11.8202 11.9271 11.9342 15.2130 15.2270 k = 0.5000-0.1221 0.5260 ( 4862 PWs) bands (ev): -67.0562 -67.0562 -36.8511 -36.8507 -35.6511 -35.6507 -35.6503 -35.6502 1.2259 1.2727 5.1041 5.1676 6.4449 6.7613 7.0128 7.1880 7.5472 7.9450 8.0577 8.3684 8.4238 8.4862 9.0644 9.2380 9.6167 9.6408 10.7589 10.7642 10.8023 10.8366 11.1589 11.2273 11.7540 11.8359 11.9316 11.9393 15.3364 15.3559 k = 0.5000-0.1110 0.5339 ( 4860 PWs) bands (ev): -67.0560 -67.0560 -36.8511 -36.8507 -35.6511 -35.6507 -35.6503 -35.6503 1.2249 1.2739 5.1477 5.2171 6.3818 6.6750 7.0061 7.1898 7.5673 7.9417 8.0691 8.3716 8.4273 8.4952 9.0583 9.2239 9.6140 9.6411 10.7486 10.7487 10.7869 10.8219 11.1616 11.2290 11.7572 11.8439 11.9373 11.9461 15.4648 15.4907 k = 0.5000-0.0999 0.5417 ( 4852 PWs) bands (ev): -67.0551 -67.0551 -36.8511 -36.8506 -35.6511 -35.6506 -35.6503 -35.6502 1.2241 1.2751 5.1937 5.2694 6.3176 6.5890 7.0002 7.1914 7.5872 7.9379 8.0805 8.3746 8.4292 8.5031 9.0542 9.2112 9.6111 9.6411 10.7375 10.7423 10.7714 10.8073 11.1676 11.2341 11.7631 11.8536 11.9425 11.9519 15.5970 15.6303 k = 0.5000-0.0888 0.5496 ( 4852 PWs) bands (ev): -67.0551 -67.0551 -36.8511 -36.8506 -35.6511 -35.6506 -35.6503 -35.6502 1.2233 1.2761 5.2419 5.3243 6.2525 6.5034 6.9948 7.1927 7.6065 7.9333 8.0917 8.3770 8.4290 8.5103 9.0511 9.1997 9.6076 9.6394 10.7246 10.7337 10.7573 10.7941 11.1695 11.2352 11.7655 11.8594 11.9467 11.9565 15.7322 15.7741 k = 0.5000-0.0777 0.5574 ( 4858 PWs) bands (ev): -67.0557 -67.0557 -36.8511 -36.8506 -35.6512 -35.6506 -35.6503 -35.6503 1.2226 1.2770 5.2921 5.3817 6.1868 6.4184 6.9901 7.1936 7.6251 7.9280 8.1025 8.3791 8.4270 8.5170 9.0487 9.1895 9.6037 9.6364 10.7116 10.7244 10.7437 10.7815 11.1691 11.2341 11.7652 11.8622 11.9492 11.9593 15.8689 15.9210 k = 0.5000-0.0666 0.5653 ( 4858 PWs) bands (ev): -67.0557 -67.0557 -36.8511 -36.8506 -35.6512 -35.6506 -35.6503 -35.6503 1.2221 1.2778 5.3442 5.4418 6.1209 6.3343 6.9862 7.1944 7.6427 7.9225 8.1127 8.3808 8.4238 8.5233 9.0473 9.1807 9.6001 9.6334 10.7045 10.7207 10.7291 10.7680 11.1740 11.2383 11.7663 11.8657 11.9504 11.9604 16.0059 16.0702 k = 0.5000-0.0555 0.5731 ( 4866 PWs) bands (ev): -67.0564 -67.0564 -36.8511 -36.8506 -35.6512 -35.6506 -35.6503 -35.6503 1.2215 1.2784 5.3977 5.5041 6.0554 6.2513 6.9827 7.1949 7.6589 7.9166 8.1221 8.3821 8.4197 8.5289 9.0463 9.1733 9.5965 9.6299 10.6935 10.7126 10.7197 10.7596 11.1721 11.2358 11.7657 11.8674 11.9492 11.9596 16.1405 16.2196 k = 0.5000-0.0444 0.5810 ( 4864 PWs) bands (ev): -67.0562 -67.0562 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6503 1.2211 1.2790 5.4524 5.5688 5.9909 6.1698 6.9799 7.1953 7.6735 7.9109 8.1305 8.3831 8.4155 8.5338 9.0465 9.1675 9.5936 9.6280 10.6865 10.7079 10.7122 10.7530 11.1730 11.2362 11.7688 11.8719 11.9517 11.9621 16.2701 16.3677 k = 0.5000-0.0333 0.5888 ( 4872 PWs) bands (ev): -67.0570 -67.0570 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6503 1.2208 1.2794 5.5073 5.6355 5.9281 6.0898 6.9777 7.1955 7.6857 7.9055 8.1374 8.3837 8.4114 8.5378 9.0464 9.1630 9.5911 9.6255 10.6784 10.7018 10.7028 10.7442 11.1706 11.2334 11.7692 11.8736 11.9518 11.9622 16.3884 16.5089 k = 0.5000-0.0222 0.5967 ( 4878 PWs) bands (ev): -67.0576 -67.0576 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6503 1.2205 1.2797 5.5602 5.7036 5.8695 6.0120 6.9761 7.1957 7.6950 7.9012 8.1426 8.3841 8.4081 8.5407 9.0465 9.1597 9.5892 9.6238 10.6722 10.6968 10.6968 10.7387 11.1683 11.2308 11.7704 11.8756 11.9508 11.9612 16.4874 16.6347 k = 0.5000-0.0111 0.6045 ( 4888 PWs) bands (ev): -67.0586 -67.0586 -36.8512 -36.8507 -35.6513 -35.6506 -35.6505 -35.6504 1.2204 1.2798 5.6055 5.7712 5.8208 5.9387 6.9752 7.1957 7.7009 7.8982 8.1458 8.3843 8.4059 8.5426 9.0452 9.1578 9.5872 9.6198 10.6677 10.6932 10.6942 10.7365 11.1662 11.2285 11.7625 11.8690 11.9511 11.9615 16.5556 16.7286 k = 0.5000-0.0000 0.6124 ( 4888 PWs) bands (ev): -67.0586 -67.0586 -36.8512 -36.8507 -35.6513 -35.6506 -35.6505 -35.6504 1.2203 1.2799 5.6261 5.7990 5.8163 5.8917 6.9749 7.1957 7.7029 7.8972 8.1470 8.3844 8.4051 8.5432 9.0452 9.1572 9.5868 9.6194 10.6669 10.6927 10.6934 10.7358 11.1662 11.2284 11.7626 11.8692 11.9514 11.9618 16.5803 16.7650 k = 0.5000-0.0000 0.6124 ( 4888 PWs) bands (ev): -67.0586 -67.0586 -36.8512 -36.8507 -35.6513 -35.6506 -35.6505 -35.6504 1.2203 1.2799 5.6261 5.7990 5.8163 5.8917 6.9749 7.1957 7.7029 7.8972 8.1470 8.3844 8.4051 8.5432 9.0452 9.1572 9.5868 9.6194 10.6669 10.6927 10.6934 10.7358 11.1662 11.2284 11.7626 11.8692 11.9514 11.9618 16.5803 16.7650 k = 0.4931 0.0120 0.6124 ( 4888 PWs) bands (ev): -67.0586 -67.0586 -36.8512 -36.8507 -35.6513 -35.6506 -35.6505 -35.6504 1.2199 1.2794 5.6151 5.7890 5.8113 5.9204 6.9748 7.1958 7.7008 7.8921 8.1500 8.3688 8.4226 8.5442 9.0417 9.1617 9.5855 9.6221 10.6671 10.6894 10.6974 10.7367 11.1660 11.2282 11.7635 11.8702 11.9515 11.9626 16.5625 16.7371 k = 0.4861 0.0241 0.6124 ( 4875 PWs) bands (ev): -67.0573 -67.0573 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6503 1.2187 1.2780 5.5887 5.7437 5.8415 5.9703 6.9746 7.1960 7.6952 7.8764 8.1597 8.3486 8.4479 8.5480 9.0326 9.1745 9.5828 9.6306 10.6703 10.6874 10.7076 10.7428 11.1688 11.2307 11.7706 11.8770 11.9559 11.9687 16.5070 16.6517 k = 0.4792 0.0361 0.6124 ( 4865 PWs) bands (ev): -67.0563 -67.0563 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6503 1.2169 1.2759 5.5560 5.6975 5.8804 6.0238 6.9740 7.1962 7.6865 7.8507 8.1749 8.3307 8.4720 8.5561 9.0191 9.1931 9.5794 9.6415 10.6716 10.6863 10.7172 10.7514 11.1687 11.2302 11.7789 11.8850 11.9610 11.9758 16.4141 16.5228 k = 0.4722 0.0481 0.6124 ( 4867 PWs) bands (ev): -67.0565 -67.0565 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6503 1.2146 1.2731 5.5216 5.6528 5.9231 6.0783 6.9728 7.1964 7.6751 7.8169 8.1930 8.3156 8.4918 8.5705 9.0028 9.2153 9.5755 9.6524 10.6711 10.6830 10.7231 10.7559 11.1656 11.2265 11.7873 11.8929 11.9628 11.9796 16.2888 16.3729 k = 0.4653 0.0601 0.6124 ( 4866 PWs) bands (ev): -67.0564 -67.0564 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6503 1.2119 1.2698 5.4875 5.6104 5.9678 6.1331 6.9709 7.1965 7.6618 7.7773 8.2115 8.3042 8.5066 8.5914 8.9855 9.2400 9.5722 9.6639 10.6706 10.6820 10.7312 10.7648 11.1623 11.2225 11.7976 11.9016 11.9675 11.9852 16.1408 16.2172 k = 0.4583 0.0722 0.6124 ( 4856 PWs) bands (ev): -67.0555 -67.0555 -36.8511 -36.8506 -35.6512 -35.6505 -35.6504 -35.6502 1.2090 1.2663 5.4548 5.5707 6.0134 6.1876 6.9683 7.1968 7.6474 7.7338 8.2273 8.2984 8.5177 8.6169 8.9675 9.2666 9.5692 9.6748 10.6723 10.6835 10.7444 10.7778 11.1616 11.2208 11.8082 11.9094 11.9805 11.9984 15.9810 16.0608 k = 0.4514 0.0842 0.6124 ( 4862 PWs) bands (ev): -67.0561 -67.0561 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.2059 1.2624 5.4238 5.5337 6.0590 6.2413 6.9646 7.1970 7.6318 7.6874 8.2358 8.3003 8.5275 8.6439 8.9492 9.2940 9.5666 9.6843 10.6702 10.6825 10.7505 10.7844 11.1559 11.2143 11.8193 11.9153 11.9906 12.0073 15.8177 15.9043 k = 0.4444 0.0962 0.6124 ( 4860 PWs) bands (ev): -67.0559 -67.0559 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.2027 1.2586 5.3950 5.4997 6.1045 6.2938 6.9600 7.1972 7.6159 7.6395 8.2367 8.3101 8.5373 8.6705 8.9314 9.3224 9.5652 9.6935 10.6687 10.6829 10.7610 10.7956 11.1511 11.2086 11.8337 11.9212 12.0065 12.0221 15.6576 15.7501 k = 0.4375 0.1083 0.6124 ( 4862 PWs) bands (ev): -67.0561 -67.0561 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1995 1.2547 5.3685 5.4686 6.1493 6.3446 6.9546 7.1976 7.5896 7.6012 8.2334 8.3235 8.5478 8.6955 8.9139 9.3506 9.5646 9.7007 10.6659 10.6821 10.7715 10.8072 11.1442 11.2010 11.8463 11.9240 12.0235 12.0418 15.5037 15.6003 k = 0.4306 0.1203 0.6124 ( 4856 PWs) bands (ev): -67.0555 -67.0555 -36.8511 -36.8506 -35.6512 -35.6505 -35.6503 -35.6502 1.1965 1.2509 5.3447 5.4408 6.1932 6.3930 6.9487 7.1980 7.5408 7.5857 8.2288 8.3375 8.5594 8.7181 8.8976 9.3784 9.5656 9.7064 10.6668 10.6850 10.7822 10.8194 11.1405 11.1965 11.8609 11.9283 12.0429 12.0669 15.3594 15.4577 k = 0.4236 0.1323 0.6124 ( 4863 PWs) bands (ev): -67.0562 -67.0562 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1937 1.2474 5.3233 5.4159 6.2355 6.4381 6.9426 7.1986 7.4919 7.5715 8.2240 8.3500 8.5718 8.7371 8.8823 9.4043 9.5677 9.7094 10.6629 10.6832 10.7902 10.8287 11.1317 11.1875 11.8719 11.9286 12.0609 12.0922 15.2254 15.3230 k = 0.4167 0.1443 0.6124 ( 4864 PWs) bands (ev): -67.0564 -67.0563 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1911 1.2442 5.3046 5.3943 6.2760 6.4789 6.9373 7.1994 7.4441 7.5588 8.2197 8.3609 8.5852 8.7519 8.8693 9.4278 9.5723 9.7108 10.6610 10.6833 10.7976 10.8372 11.1253 11.1810 11.8840 11.9303 12.0819 12.1203 15.1048 15.1996 k = 0.4097 0.1564 0.6124 ( 4866 PWs) bands (ev): -67.0566 -67.0566 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1888 1.2413 5.2888 5.3760 6.3139 6.5139 6.9337 7.2004 7.3981 7.5476 8.2159 8.3697 8.5990 8.7612 8.8595 9.4476 9.5792 9.7092 10.6594 10.6833 10.8064 10.8475 11.1191 11.1749 11.8934 11.9300 12.1013 12.1457 14.9990 15.0890 k = 0.4028 0.1684 0.6124 ( 4866 PWs) bands (ev): -67.0566 -67.0566 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1869 1.2389 5.2758 5.3609 6.3483 6.5420 6.9327 7.2018 7.3550 7.5383 8.2129 8.3768 8.6129 8.7644 8.8539 9.4632 9.5886 9.7050 10.6595 10.6846 10.8142 10.8566 11.1139 11.1695 11.9000 11.9297 12.1223 12.1703 14.9100 14.9938 k = 0.3958 0.1804 0.6124 ( 4870 PWs) bands (ev): -67.0570 -67.0570 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6502 1.1854 1.2369 5.2656 5.3492 6.3783 6.5623 6.9349 7.2038 7.3162 7.5309 8.2104 8.3821 8.6258 8.7622 8.8520 9.4742 9.6001 9.6992 10.6576 10.6838 10.8190 10.8625 11.1077 11.1636 11.9053 11.9289 12.1407 12.1913 14.8392 14.9158 k = 0.3889 0.1925 0.6124 ( 4870 PWs) bands (ev): -67.0570 -67.0570 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6502 1.1843 1.2355 5.2583 5.3407 6.4020 6.5748 6.9394 7.2067 7.2836 7.5257 8.2088 8.3859 8.6371 8.7572 8.8524 9.4815 9.6123 9.6927 10.6571 10.6841 10.8227 10.8668 11.1045 11.1605 11.9095 11.9287 12.1567 12.2086 14.7880 14.8577 k = 0.3819 0.2045 0.6124 ( 4868 PWs) bands (ev): -67.0568 -67.0568 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6502 1.1836 1.2346 5.2539 5.3357 6.4176 6.5811 6.9439 7.2105 7.2601 7.5225 8.2078 8.3883 8.6450 8.7525 8.8534 9.4856 9.6225 9.6869 10.6569 10.6843 10.8262 10.8706 11.1026 11.1587 11.9127 11.9289 12.1678 12.2202 14.7573 14.8218 k = 0.3750 0.2165 0.6124 ( 4882 PWs) bands (ev): -67.0582 -67.0582 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6502 1.1833 1.2343 5.2524 5.3339 6.4229 6.5827 6.9458 7.2129 7.2506 7.5214 8.2073 8.3887 8.6476 8.7500 8.8537 9.4863 9.6257 9.6826 10.6538 10.6814 10.8225 10.8671 11.0984 11.1545 11.9097 11.9249 12.1675 12.2203 14.7462 14.8088 k = 0.3750 0.2165 0.6124 ( 4882 PWs) bands (ev): -67.0582 -67.0582 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6502 1.1833 1.2343 5.2524 5.3339 6.4229 6.5827 6.9458 7.2129 7.2506 7.5214 8.2073 8.3887 8.6476 8.7500 8.8537 9.4863 9.6257 9.6826 10.6538 10.6814 10.8225 10.8671 11.0984 11.1545 11.9097 11.9249 12.1675 12.2203 14.7462 14.8088 k = 0.3681 0.2125 0.6010 ( 4868 PWs) bands (ev): -67.0568 -67.0568 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1734 1.2255 5.3021 5.3904 6.3732 6.5164 6.9192 7.2174 7.2197 7.5260 8.2090 8.3965 8.6746 8.7341 8.8845 9.4762 9.6438 9.7047 10.6435 10.6737 10.8109 10.8579 11.1081 11.1617 11.9182 11.9357 12.2230 12.2797 14.7547 14.8188 k = 0.3611 0.2085 0.5897 ( 4872 PWs) bands (ev): -67.0571 -67.0571 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1621 1.2149 5.3529 5.4484 6.3238 6.4497 6.8946 7.1893 7.2230 7.5305 8.2126 8.4033 8.6982 8.7101 8.9226 9.4666 9.6623 9.7255 10.6305 10.6640 10.7935 10.8429 11.1155 11.1667 11.9223 11.9418 12.2750 12.3356 14.7608 14.8265 k = 0.3542 0.2045 0.5784 ( 4868 PWs) bands (ev): -67.0567 -67.0567 -36.8511 -36.8506 -35.6512 -35.6505 -35.6504 -35.6502 1.1493 1.2027 5.4047 5.5079 6.2754 6.3838 6.8717 7.1598 7.2298 7.5351 8.2185 8.4099 8.6833 8.7185 8.9633 9.4590 9.6831 9.7487 10.6216 10.6583 10.7790 10.8307 11.1279 11.1763 11.9271 11.9484 12.3309 12.3950 14.7662 14.8333 k = 0.3472 0.2005 0.5670 ( 4856 PWs) bands (ev): -67.0556 -67.0556 -36.8510 -36.8506 -35.6512 -35.6505 -35.6504 -35.6501 1.1351 1.1887 5.4568 5.5686 6.2289 6.3194 6.8501 7.1311 7.2380 7.5400 8.2268 8.4162 8.6553 8.7349 9.0051 9.4544 9.7054 9.7735 10.6173 10.6577 10.7659 10.8196 11.1464 11.1921 11.9340 11.9570 12.3889 12.4563 14.7713 14.8398 k = 0.3403 0.1965 0.5557 ( 4852 PWs) bands (ev): -67.0552 -67.0552 -36.8510 -36.8506 -35.6512 -35.6504 -35.6504 -35.6501 1.1191 1.1726 5.5088 5.6300 6.1848 6.2570 6.8296 7.1032 7.2477 7.5449 8.2373 8.4220 8.6263 8.7468 9.0473 9.4532 9.7287 9.7988 10.6102 10.6540 10.7535 10.8093 11.1624 11.2050 11.9402 11.9648 12.4475 12.5181 14.7749 14.8448 k = 0.3333 0.1925 0.5443 ( 4826 PWs) bands (ev): -67.0526 -67.0526 -36.8510 -36.8505 -35.6511 -35.6503 -35.6503 -35.6500 1.1014 1.1547 5.5598 5.6919 6.1443 6.1974 6.8102 7.0763 7.2591 7.5504 8.2506 8.4281 8.5971 8.7550 9.0900 9.4566 9.7558 9.8290 10.6094 10.6559 10.7460 10.8034 11.1887 11.2272 11.9531 11.9789 12.5125 12.5860 14.7793 14.8505 k = 0.3264 0.1884 0.5330 ( 4852 PWs) bands (ev): -67.0552 -67.0552 -36.8510 -36.8506 -35.6511 -35.6504 -35.6503 -35.6501 1.0817 1.1344 5.6082 5.7530 6.1083 6.1405 6.7915 7.0497 7.2720 7.5559 8.2654 8.4333 8.5659 8.7561 9.1320 9.4627 9.7794 9.8539 10.5942 10.6434 10.7287 10.7876 11.1999 11.2351 11.9512 11.9789 12.5690 12.6457 14.7797 14.8524 k = 0.3194 0.1844 0.5217 ( 4852 PWs) bands (ev): -67.0552 -67.0552 -36.8510 -36.8506 -35.6511 -35.6504 -35.6503 -35.6501 1.0603 1.1122 5.6529 5.8130 6.0788 6.0876 6.7739 7.0240 7.2870 7.5620 8.2829 8.4389 8.5354 8.7534 9.1742 9.4737 9.8057 9.8823 10.5895 10.6415 10.7170 10.7772 11.2222 11.2537 11.9581 11.9872 12.6305 12.7101 14.7812 14.8553 k = 0.3125 0.1804 0.5103 ( 4852 PWs) bands (ev): -67.0552 -67.0552 -36.8510 -36.8506 -35.6511 -35.6504 -35.6503 -35.6501 1.0369 1.0878 5.6913 5.8699 6.0401 6.0580 6.7572 6.9990 7.3041 7.5685 8.3022 8.4446 8.5056 8.7465 9.2162 9.4886 9.8332 9.9119 10.5862 10.6407 10.7064 10.7675 11.2471 11.2747 11.9655 11.9959 12.6932 12.7755 14.7820 14.8575 k = 0.3056 0.1764 0.4990 ( 4858 PWs) bands (ev): -67.0558 -67.0558 -36.8510 -36.8506 -35.6511 -35.6505 -35.6503 -35.6501 1.0116 1.0612 5.7206 5.9163 6.0049 6.0486 6.7415 6.9744 7.3233 7.5753 8.3215 8.4505 8.4782 8.7356 9.2579 9.5067 9.8602 9.9405 10.5849 10.6421 10.6946 10.7566 11.2718 11.2958 11.9725 12.0041 12.7548 12.8398 14.7820 14.8590 k = 0.2986 0.1724 0.4876 ( 4860 PWs) bands (ev): -67.0561 -67.0561 -36.8510 -36.8506 -35.6511 -35.6505 -35.6502 -35.6500 0.9843 1.0324 5.7386 5.9205 6.0132 6.0527 6.7269 6.9505 7.3447 7.5825 8.3368 8.4568 8.4582 8.7224 9.2993 9.5285 9.8909 9.9738 10.5807 10.6385 10.6876 10.7491 11.2995 11.3191 11.9811 12.0141 12.8211 12.9085 14.7815 14.8598 k = 0.2917 0.1684 0.4763 ( 4864 PWs) bands (ev): -67.0565 -67.0565 -36.8510 -36.8505 -35.6511 -35.6505 -35.6502 -35.6500 0.9551 1.0015 5.7454 5.8910 6.0558 6.0698 6.7136 6.9271 7.3683 7.5899 8.3378 8.4555 8.4633 8.7071 9.3405 9.5527 9.9206 10.0055 10.5817 10.6396 10.6798 10.7405 11.3312 11.3462 11.9891 12.0232 12.8855 12.9753 14.7805 14.8601 k = 0.2847 0.1644 0.4649 ( 4868 PWs) bands (ev): -67.0569 -67.0569 -36.8509 -36.8505 -35.6511 -35.6505 -35.6502 -35.6500 0.9239 0.9686 5.7439 5.8583 6.0969 6.1016 6.7016 6.9041 7.3941 7.5975 8.3205 8.4698 8.4750 8.6914 9.3814 9.5791 9.9513 10.0383 10.5838 10.6408 10.6747 10.7332 11.3640 11.3747 11.9986 12.0337 12.9510 13.0431 14.7786 14.8595 k = 0.2778 0.1604 0.4536 ( 4862 PWs) bands (ev): -67.0563 -67.0563 -36.8509 -36.8505 -35.6510 -35.6505 -35.6501 -35.6500 0.8910 0.9337 5.7377 5.8279 6.1301 6.1447 6.6913 6.8818 7.4219 7.6052 8.2928 8.4756 8.5096 8.6776 9.4224 9.6079 9.9837 10.0727 10.5909 10.6440 10.6756 10.7297 11.4046 11.4104 12.0096 12.0454 13.0183 13.1124 14.7765 14.8585 k = 0.2708 0.1564 0.4423 ( 4868 PWs) bands (ev): -67.0569 -67.0569 -36.8509 -36.8505 -35.6510 -35.6505 -35.6501 -35.6500 0.8563 0.8970 5.7296 5.8008 6.1659 6.1830 6.6825 6.8597 7.4514 7.6127 8.2600 8.4790 8.5531 8.6673 9.4627 9.6376 10.0147 10.1054 10.5979 10.6443 10.6775 10.7239 11.4424 11.4438 12.0193 12.0559 13.0838 13.1799 14.7729 14.8559 k = 0.2639 0.1524 0.4309 ( 4856 PWs) bands (ev): -67.0558 -67.0558 -36.8509 -36.8505 -35.6510 -35.6504 -35.6501 -35.6500 0.8199 0.8585 5.7216 5.7775 6.2024 6.2160 6.6756 6.8383 7.4820 7.6201 8.2255 8.4779 8.6037 8.6649 9.5038 9.6696 10.0525 10.1455 10.6101 10.6460 10.6873 10.7223 11.4850 11.4887 12.0323 12.0693 13.1542 13.2521 14.7686 14.8524 k = 0.2569 0.1483 0.4196 ( 4860 PWs) bands (ev): -67.0562 -67.0562 -36.8508 -36.8505 -35.6509 -35.6504 -35.6500 -35.6499 0.7819 0.8183 5.7149 5.7579 6.2378 6.2431 6.6702 6.8172 7.5131 7.6271 8.1898 8.4703 8.6602 8.6724 9.5440 9.7019 10.0867 10.1811 10.6197 10.6441 10.6961 10.7191 11.5233 11.5318 12.0444 12.0818 13.2213 13.3209 14.7625 14.8470 k = 0.2500 0.1443 0.4082 ( 4852 PWs) bands (ev): -67.0554 -67.0554 -36.8508 -36.8505 -35.6509 -35.6504 -35.6500 -35.6499 0.7426 0.7767 5.7101 5.7422 6.2644 6.2713 6.6664 6.7967 7.5441 7.6337 8.1539 8.4561 8.6919 8.7224 9.5849 9.7360 10.1257 10.2218 10.6333 10.6455 10.7097 10.7201 11.5670 11.5806 12.0588 12.0963 13.2914 13.3925 14.7553 14.8400 k = 0.2431 0.1403 0.3969 ( 4858 PWs) bands (ev): -67.0560 -67.0560 -36.8508 -36.8504 -35.6508 -35.6504 -35.6500 -35.6499 0.7018 0.7338 5.7075 5.7299 6.2800 6.3020 6.6636 6.7766 7.5740 7.6398 8.1177 8.4364 8.7220 8.7899 9.6253 9.7701 10.1604 10.2572 10.6447 10.6465 10.7198 10.7233 11.6099 11.6287 12.0716 12.1089 13.3579 13.4605 14.7460 14.8307 k = 0.2361 0.1363 0.3856 ( 4846 PWs) bands (ev): -67.0549 -67.0549 -36.8507 -36.8504 -35.6508 -35.6503 -35.6499 -35.6499 0.6600 0.6898 5.7075 5.7214 6.2906 6.3298 6.6617 6.7571 7.6023 7.6454 8.0821 8.4130 8.7629 8.8627 9.6670 9.8063 10.2014 10.2991 10.6483 10.6642 10.7261 10.7440 11.6593 11.6838 12.0882 12.1246 13.4275 13.5314 14.7351 14.8195 k = 0.2292 0.1323 0.3742 ( 4846 PWs) bands (ev): -67.0549 -67.0549 -36.8507 -36.8504 -35.6507 -35.6503 -35.6499 -35.6498 0.6172 0.6447 5.7099 5.7163 6.2967 6.3540 6.6599 6.7380 7.6282 7.6503 8.0468 8.3872 8.8127 8.9401 9.7083 9.8422 10.2405 10.3384 10.6501 10.6772 10.7346 10.7637 11.7059 11.7359 12.1053 12.1409 13.4948 13.6001 14.7217 14.8053 k = 0.2222 0.1283 0.3629 ( 4838 PWs) bands (ev): -67.0541 -67.0541 -36.8506 -36.8504 -35.6506 -35.6503 -35.6498 -35.6498 0.5735 0.5989 5.7145 5.7150 6.2990 6.3746 6.6579 6.7197 7.6513 7.6546 8.0125 8.3601 8.8713 9.0219 9.7506 9.8795 10.2846 10.3827 10.6545 10.6882 10.7498 10.7854 11.7559 11.7920 12.1252 12.1591 13.5636 13.6702 14.7060 14.7885 k = 0.2153 0.1243 0.3515 ( 4842 PWs) bands (ev): -67.0546 -67.0546 -36.8506 -36.8504 -35.6506 -35.6502 -35.6498 -35.6498 0.5292 0.5525 5.7157 5.7223 6.2983 6.3914 6.6550 6.7017 7.6582 7.6713 7.9787 8.3317 8.9369 9.1071 9.7926 9.9165 10.3257 10.4232 10.6570 10.6936 10.7703 10.8089 11.8040 11.8465 12.1438 12.1754 13.6292 13.7373 14.6873 14.7684 k = 0.2083 0.1203 0.3402 ( 4838 PWs) bands (ev): -67.0542 -67.0542 -36.8506 -36.8503 -35.6505 -35.6502 -35.6498 -35.6497 0.4844 0.5057 5.7199 5.7321 6.2953 6.4044 6.6512 6.6845 7.6612 7.6882 7.9466 8.3032 9.0104 9.1960 9.8355 9.9548 10.3715 10.4682 10.6634 10.7007 10.7918 10.8301 11.8542 11.9037 12.1689 12.1979 13.6965 13.8059 14.6662 14.7455 k = 0.2014 0.1163 0.3289 ( 4834 PWs) bands (ev): -67.0539 -67.0539 -36.8505 -36.8503 -35.6505 -35.6502 -35.6498 -35.6497 0.4393 0.4587 5.7267 5.7440 6.2903 6.4137 6.6460 6.6679 7.6637 7.7021 7.9157 8.2746 9.0896 9.2871 9.8790 9.9933 10.4200 10.5161 10.6702 10.7056 10.8187 10.8548 11.9033 11.9606 12.1962 12.2216 13.7625 13.8736 14.6422 14.7195 k = 0.1944 0.1123 0.3175 ( 4834 PWs) bands (ev): -67.0539 -67.0539 -36.8505 -36.8503 -35.6504 -35.6501 -35.6497 -35.6497 0.3940 0.4116 5.7361 5.7579 6.2840 6.4195 6.6393 6.6517 7.6655 7.7133 7.8861 8.2458 9.1738 9.3800 9.9232 10.0323 10.4653 10.5600 10.6773 10.7098 10.8495 10.8820 11.9531 12.0190 12.2265 12.2473 13.8255 13.9388 14.6155 14.6906 k = 0.1875 0.1083 0.3062 ( 4842 PWs) bands (ev): -67.0548 -67.0548 -36.8505 -36.8503 -35.6504 -35.6501 -35.6497 -35.6497 0.3488 0.3646 5.7476 5.7734 6.2767 6.4220 6.6312 6.6360 7.6667 7.7218 7.8579 8.2171 9.2614 9.4731 9.9672 10.0702 10.5087 10.6012 10.6850 10.7142 10.8827 10.9109 11.9991 12.0735 12.2589 12.2750 13.8859 14.0021 14.5858 14.6590 k = 0.1806 0.1042 0.2948 ( 4842 PWs) bands (ev): -67.0548 -67.0548 -36.8504 -36.8503 -35.6503 -35.6501 -35.6497 -35.6497 0.3038 0.3180 5.7614 5.7908 6.2686 6.4214 6.6206 6.6216 7.6676 7.7283 7.8316 8.1888 9.3521 9.5668 10.0135 10.1107 10.5554 10.6480 10.6937 10.7163 10.9187 10.9409 12.0481 12.1326 12.2987 12.3089 13.9441 14.0642 14.5540 14.6256 k = 0.1736 0.1002 0.2835 ( 4844 PWs) bands (ev): -67.0551 -67.0551 -36.8504 -36.8502 -35.6503 -35.6501 -35.6497 -35.6497 0.2592 0.2719 5.7769 5.8095 6.2600 6.4180 6.6055 6.6107 7.6680 7.7328 7.8070 8.1609 9.4446 9.6591 10.0598 10.1504 10.5986 10.6887 10.7080 10.7262 10.9566 10.9727 12.0951 12.1865 12.3430 12.3500 13.9998 14.1253 14.5199 14.5911 k = 0.1667 0.0962 0.2722 ( 4848 PWs) bands (ev): -67.0555 -67.0555 -36.8504 -36.8502 -35.6502 -35.6500 -35.6497 -35.6496 0.2151 0.2264 5.7940 5.8294 6.2512 6.4124 6.5906 6.5987 7.6680 7.7358 7.7843 8.1334 9.5376 9.7488 10.1066 10.1893 10.6367 10.7127 10.7283 10.7529 10.9973 11.0069 12.1407 12.2358 12.3918 12.3987 14.0510 14.1845 14.4841 14.5570 k = 0.1597 0.0922 0.2608 ( 4848 PWs) bands (ev): -67.0556 -67.0556 -36.8503 -36.8502 -35.6502 -35.6500 -35.6496 -35.6496 0.1717 0.1816 5.8126 5.8504 6.2422 6.4047 6.5757 6.5857 7.6676 7.7374 7.7634 8.1065 9.6305 9.8359 10.1551 10.2293 10.6670 10.7227 10.7587 10.7957 11.0405 11.0430 12.1880 12.2832 12.4471 12.4574 14.0963 14.2421 14.4475 14.5255 k = 0.1528 0.0882 0.2495 ( 4846 PWs) bands (ev): -67.0554 -67.0554 -36.8503 -36.8502 -35.6501 -35.6500 -35.6496 -35.6496 0.1292 0.1379 5.8323 5.8723 6.2332 6.3955 6.5608 6.5718 7.6671 7.7380 7.7447 8.0804 9.7229 9.9194 10.2043 10.2690 10.6894 10.7306 10.7999 10.8431 11.0784 11.0835 12.2377 12.3291 12.5081 12.5256 14.1330 14.2971 14.4112 14.5002 k = 0.1458 0.0842 0.2381 ( 4844 PWs) bands (ev): -67.0553 -67.0553 -36.8503 -36.8501 -35.6501 -35.6499 -35.6496 -35.6496 0.0876 0.0952 5.8530 5.8947 6.2243 6.3850 6.5459 6.5574 7.6662 7.7277 7.7378 8.0546 9.8124 9.9976 10.2548 10.3087 10.7068 10.7378 10.8460 10.8910 11.1181 11.1304 12.2875 12.3727 12.5736 12.6005 14.1565 14.3416 14.3834 14.4851 k = 0.1389 0.0802 0.2268 ( 4842 PWs) bands (ev): -67.0551 -67.0551 -36.8502 -36.8501 -35.6500 -35.6499 -35.6496 -35.6495 0.0471 0.0537 5.8744 5.9174 6.2156 6.3735 6.5309 6.5426 7.6650 7.7126 7.7369 8.0295 9.8989 10.0701 10.3056 10.3472 10.7222 10.7453 10.8952 10.9394 11.1598 11.1786 12.3390 12.4159 12.6433 12.6816 14.1639 14.3283 14.4123 14.4844 k = 0.1319 0.0762 0.2155 ( 4842 PWs) bands (ev): -67.0551 -67.0551 -36.8502 -36.8501 -35.6499 -35.6498 -35.6495 -35.6495 0.0079 0.0135 5.8961 5.9401 6.2072 6.3612 6.5160 6.5275 7.6635 7.6995 7.7354 8.0050 9.9815 10.1362 10.3558 10.3834 10.7367 10.7533 10.9454 10.9877 11.2024 11.2271 12.3922 12.4591 12.7163 12.7676 14.1556 14.2958 14.4602 14.4983 k = 0.1250 0.0722 0.2041 ( 4858 PWs) bands (ev): -67.0567 -67.0567 -36.8502 -36.8501 -35.6499 -35.6498 -35.6496 -35.6496 -0.0301 -0.0253 5.9180 5.9626 6.1988 6.3481 6.5010 6.5122 7.6610 7.6883 7.7330 7.9807 10.0582 10.1953 10.4020 10.4168 10.7479 10.7587 10.9937 11.0336 11.2359 11.2665 12.4462 12.5019 12.7924 12.8581 14.1356 14.2641 14.5060 14.5218 k = 0.1181 0.0682 0.1928 ( 4846 PWs) bands (ev): -67.0555 -67.0555 -36.8501 -36.8501 -35.6498 -35.6497 -35.6495 -35.6495 -0.0665 -0.0625 5.9401 5.9850 6.1912 6.3350 6.4868 6.4976 7.6585 7.6801 7.7310 7.9579 10.1322 10.2526 10.4492 10.4525 10.7663 10.7722 11.0482 11.0856 11.2802 11.3150 12.5053 12.5495 12.8764 12.9572 14.1108 14.2364 14.5534 14.5546 k = 0.1111 0.0642 0.1814 ( 4846 PWs) bands (ev): -67.0556 -67.0556 -36.8501 -36.8500 -35.6498 -35.6497 -35.6495 -35.6495 -0.1014 -0.0980 5.9618 6.0067 6.1838 6.3215 6.4729 6.4833 7.6545 7.6743 7.7284 7.9355 10.2007 10.3041 10.4841 10.4918 10.7821 10.7834 11.0997 11.1346 11.3195 11.3572 12.5641 12.5965 12.9635 13.0603 14.0841 14.2136 14.5890 14.5971 k = 0.1042 0.0601 0.1701 ( 4846 PWs) bands (ev): -67.0556 -67.0556 -36.8501 -36.8500 -35.6497 -35.6497 -35.6495 -35.6495 -0.1346 -0.1319 5.9830 6.0275 6.1769 6.3079 6.4597 6.4696 7.6500 7.6708 7.7257 7.9138 10.2642 10.3517 10.5132 10.5301 10.7961 10.7984 11.1509 11.1833 11.3574 11.3967 12.6224 12.6436 13.0556 13.1688 14.0593 14.1972 14.6244 14.6387 k = 0.0972 0.0561 0.1588 ( 4841 PWs) bands (ev): -67.0551 -67.0551 -36.8500 -36.8500 -35.6497 -35.6496 -35.6494 -35.6494 -0.1661 -0.1639 6.0035 6.0472 6.1705 6.2943 6.4475 6.4568 7.6456 7.6689 7.7229 7.8930 10.3235 10.3964 10.5406 10.5647 10.8115 10.8164 11.2035 11.2334 11.3944 11.4338 12.6788 12.6902 13.1532 13.2828 14.0391 14.1887 14.6602 14.6788 k = 0.0903 0.0521 0.1474 ( 4859 PWs) bands (ev): -67.0569 -67.0569 -36.8500 -36.8500 -35.6497 -35.6496 -35.6495 -35.6495 -0.1958 -0.1940 6.0227 6.0654 6.1644 6.2805 6.4361 6.4447 7.6410 7.6672 7.7194 7.8720 10.3743 10.4340 10.5615 10.5910 10.8237 10.8303 11.2468 11.2745 11.4245 11.4623 12.7288 12.7320 13.2531 13.3989 14.0245 14.1884 14.6926 14.7146 k = 0.0833 0.0481 0.1361 ( 4867 PWs) bands (ev): -67.0577 -67.0577 -36.8500 -36.8500 -35.6496 -35.6496 -35.6495 -35.6495 -0.2236 -0.2222 6.0409 6.0821 6.1590 6.2670 6.4261 6.4340 7.6376 7.6664 7.7161 7.8522 10.4215 10.4706 10.5820 10.6138 10.8394 10.8467 11.2941 11.3195 11.4515 11.4871 12.7723 12.7748 13.3590 13.5204 14.0183 14.1981 14.7248 14.7496 k = 0.0764 0.0441 0.1247 ( 4875 PWs) bands (ev): -67.0584 -67.0584 -36.8500 -36.8500 -35.6496 -35.6496 -35.6495 -35.6495 -0.2494 -0.2483 6.0577 6.0969 6.1543 6.2538 6.4176 6.4246 7.6354 7.6658 7.7127 7.8332 10.4642 10.5030 10.6002 10.6328 10.8570 10.8637 11.3374 11.3606 11.4771 11.5101 12.8082 12.8137 13.4691 13.6454 14.0217 14.2184 14.7564 14.7837 k = 0.0694 0.0401 0.1134 ( 4875 PWs) bands (ev): -67.0584 -67.0584 -36.8500 -36.8500 -35.6496 -35.6496 -35.6495 -35.6495 -0.2731 -0.2723 6.0731 6.1100 6.1503 6.2409 6.4106 6.4167 7.6346 7.6659 7.7096 7.8153 10.5044 10.5352 10.6168 10.6487 10.8745 10.8804 11.3822 11.4033 11.5025 11.5326 12.8400 12.8465 13.5833 13.7732 14.0365 14.2497 14.7856 14.8155 k = 0.0625 0.0361 0.1021 ( 4869 PWs) bands (ev): -67.0578 -67.0578 -36.8500 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.2948 -0.2942 6.0870 6.1213 6.1469 6.2286 6.4053 6.4103 7.6349 7.6665 7.7067 7.7983 10.5418 10.5667 10.6326 10.6624 10.8925 10.8979 11.4270 11.4460 11.5257 11.5527 12.8665 12.8725 13.6992 13.8997 14.0655 14.2915 14.8135 14.8462 k = 0.0556 0.0321 0.0907 ( 4873 PWs) bands (ev): -67.0582 -67.0582 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3143 -0.3139 6.0989 6.1303 6.1443 6.2167 6.4013 6.4053 7.6360 7.6670 7.7034 7.7817 10.5741 10.5926 10.6444 10.6722 10.9084 10.9121 11.4642 11.4810 11.5448 11.5682 12.8859 12.8909 13.8138 14.0137 14.1153 14.3416 14.8390 14.8750 k = 0.0486 0.0281 0.0794 ( 4877 PWs) bands (ev): -67.0586 -67.0586 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3317 -0.3314 6.1091 6.1374 6.1424 6.2054 6.3985 6.4015 7.6381 7.6679 7.7004 7.7660 10.6021 10.6154 10.6540 10.6792 10.9226 10.9247 11.4981 11.5128 11.5630 11.5828 12.9000 12.9036 13.9255 14.0942 14.2048 14.3985 14.8631 14.9027 k = 0.0417 0.0241 0.0680 ( 4889 PWs) bands (ev): -67.0598 -67.0598 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3468 -0.3466 6.1175 6.1413 6.1424 6.1947 6.3968 6.3988 7.6409 7.6687 7.6970 7.7508 10.6233 10.6322 10.6618 10.6840 10.9342 10.9347 11.5266 11.5393 11.5749 11.5912 12.9089 12.9113 14.0314 14.1518 14.3173 14.4588 14.8876 14.9308 k = 0.0347 0.0200 0.0567 ( 4905 PWs) bands (ev): -67.0614 -67.0614 -36.8500 -36.8500 -35.6496 -35.6495 -35.6495 -35.6495 -0.3597 -0.3596 6.1245 6.1409 6.1460 6.1847 6.3958 6.3971 7.6446 7.6694 7.6933 7.7364 10.6403 10.6471 10.6673 10.6854 10.9430 10.9435 11.5476 11.5582 11.5829 11.5967 12.9145 12.9160 14.1288 14.2054 14.4295 14.5208 14.9134 14.9588 k = 0.0278 0.0160 0.0454 ( 4909 PWs) bands (ev): -67.0618 -67.0618 -36.8500 -36.8500 -35.6495 -35.6495 -35.6495 -35.6495 -0.3703 -0.3702 6.1303 6.1416 6.1485 6.1757 6.3956 6.3963 7.6495 7.6707 7.6901 7.7230 10.6573 10.6621 10.6735 10.6879 10.9524 10.9526 11.5670 11.5755 11.5923 11.6032 12.9177 12.9185 14.2152 14.2574 14.5322 14.5825 14.9420 14.9869 k = 0.0208 0.0120 0.0340 ( 4913 PWs) bands (ev): -67.0622 -67.0622 -36.8500 -36.8500 -35.6495 -35.6495 -35.6495 -35.6495 -0.3785 -0.3785 6.1351 6.1430 6.1497 6.1675 6.3958 6.3961 7.6554 7.6722 7.6869 7.7106 10.6702 10.6740 10.6787 10.6890 10.9597 10.9601 11.5829 11.5893 11.5980 11.6062 12.9192 12.9195 14.2858 14.3049 14.6169 14.6389 14.9748 15.0139 k = 0.0139 0.0080 0.0227 ( 4909 PWs) bands (ev): -67.0618 -67.0618 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3844 -0.3844 6.1394 6.1450 6.1501 6.1604 6.3961 6.3962 7.6624 7.6744 7.6842 7.6992 10.6812 10.6834 10.6838 10.6907 10.9663 10.9664 11.5975 11.6019 11.6047 11.6100 12.9196 12.9197 14.3380 14.3439 14.6791 14.6853 15.0096 15.0378 k = 0.0069 0.0040 0.0113 ( 4909 PWs) bands (ev): -67.0619 -67.0619 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3879 -0.3879 6.1437 6.1469 6.1496 6.1540 6.3963 6.3963 7.6703 7.6766 7.6816 7.6887 10.6868 10.6872 10.6880 10.6905 10.9695 10.9695 11.6067 11.6088 11.6089 11.6114 12.9196 12.9196 14.3692 14.3699 14.7152 14.7159 15.0397 15.0536 k = 0.0000 0.0000 0.0000 ( 4909 PWs) bands (ev): -67.0619 -67.0619 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3891 -0.3891 6.1485 6.1485 6.1485 6.1485 6.3964 6.3964 7.6790 7.6790 7.6790 7.6790 10.6892 10.6892 10.6892 10.6892 10.9706 10.9706 11.6108 11.6108 11.6108 11.6108 12.9195 12.9195 14.3793 14.3793 14.7268 14.7268 15.0557 15.0557 k = 0.0000 0.0000 0.0000 ( 4909 PWs) bands (ev): -67.0619 -67.0619 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3891 -0.3891 6.1485 6.1485 6.1485 6.1485 6.3964 6.3964 7.6790 7.6790 7.6790 7.6790 10.6892 10.6892 10.6892 10.6892 10.9706 10.9706 11.6108 11.6108 11.6108 11.6108 12.9195 12.9195 14.3793 14.3793 14.7268 14.7268 15.0557 15.0557 k = 0.0114 0.0066 0.0046 ( 4909 PWs) bands (ev): -67.0619 -67.0619 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3879 -0.3879 6.1436 6.1482 6.1482 6.1542 6.3963 6.3963 7.6700 7.6791 7.6791 7.6891 10.6869 10.6874 10.6874 10.6906 10.9695 10.9695 11.6072 11.6088 11.6088 11.6111 12.9196 12.9196 14.3695 14.3695 14.7155 14.7155 15.0391 15.0535 k = 0.0227 0.0131 0.0093 ( 4909 PWs) bands (ev): -67.0618 -67.0618 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3844 -0.3844 6.1395 6.1473 6.1473 6.1608 6.3962 6.3962 7.6618 7.6792 7.6792 7.7000 10.6820 10.6820 10.6837 10.6912 10.9663 10.9663 11.6003 11.6028 11.6028 11.6081 12.9196 12.9196 14.3405 14.3405 14.6823 14.6823 15.0069 15.0335 k = 0.0341 0.0197 0.0139 ( 4915 PWs) bands (ev): -67.0624 -67.0624 -36.8500 -36.8500 -35.6496 -35.6496 -35.6495 -35.6495 -0.3785 -0.3785 6.1362 6.1455 6.1455 6.1681 6.3958 6.3958 7.6547 7.6792 7.6792 7.7119 10.6696 10.6696 10.6793 10.6905 10.9593 10.9593 11.5897 11.5921 11.5921 11.6015 12.9190 12.9190 14.2929 14.2929 14.6310 14.6310 14.9640 15.0001 k = 0.0455 0.0262 0.0186 ( 4909 PWs) bands (ev): -67.0618 -67.0618 -36.8500 -36.8500 -35.6496 -35.6496 -35.6495 -35.6495 -0.3702 -0.3702 6.1339 6.1432 6.1432 6.1762 6.3960 6.3960 7.6486 7.6798 7.6798 7.7248 10.6591 10.6591 10.6748 10.6900 10.9532 10.9532 11.5778 11.5801 11.5801 11.5933 12.9174 12.9174 14.2288 14.2288 14.5724 14.5724 14.9152 14.9586 k = 0.0568 0.0328 0.0232 ( 4903 PWs) bands (ev): -67.0612 -67.0612 -36.8500 -36.8500 -35.6495 -35.6495 -35.6495 -35.6495 -0.3595 -0.3595 6.1323 6.1398 6.1398 6.1851 6.3963 6.3963 7.6438 7.6805 7.6805 7.7387 10.6432 10.6432 10.6692 10.6885 10.9441 10.9441 11.5647 11.5663 11.5663 11.5839 12.9134 12.9134 14.1493 14.1493 14.5129 14.5129 14.8633 14.9122 k = 0.0682 0.0394 0.0278 ( 4888 PWs) bands (ev): -67.0597 -67.0597 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3466 -0.3466 6.1316 6.1354 6.1354 6.1946 6.3973 6.3973 7.6403 7.6818 7.6818 7.7539 10.6267 10.6267 10.6627 10.6864 10.9344 10.9344 11.5515 11.5523 11.5523 11.5742 12.9060 12.9060 14.0592 14.0592 14.4579 14.4579 14.8102 14.8637 k = 0.0795 0.0459 0.0325 ( 4870 PWs) bands (ev): -67.0579 -67.0579 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3313 -0.3313 6.1296 6.1296 6.1319 6.2049 6.3992 6.3992 7.6381 7.6832 7.6832 7.7701 10.6044 10.6044 10.6572 10.6856 10.9230 10.9230 11.5367 11.5367 11.5370 11.5631 12.8921 12.8921 13.9631 13.9631 14.4086 14.4086 14.7581 14.8152 k = 0.0909 0.0525 0.0371 ( 4873 PWs) bands (ev): -67.0582 -67.0582 -36.8499 -36.8499 -35.6495 -35.6495 -35.6495 -35.6495 -0.3139 -0.3139 6.1218 6.1218 6.1328 6.2155 6.4019 6.4019 7.6363 7.6838 7.6838 7.7865 10.5741 10.5741 10.6476 10.6807 10.9065 10.9065 11.5099 11.5099 11.5120 11.5415 12.8681 12.8681 13.8673 13.8673 14.3637 14.3637 14.7058 14.7661 k = 0.1023 0.0590 0.0418 ( 4873 PWs) bands (ev): -67.0582 -67.0582 -36.8500 -36.8500 -35.6495 -35.6495 -35.6495 -35.6495 -0.2942 -0.2942 6.1124 6.1124 6.1346 6.2268 6.4059 6.4059 7.6355 7.6844 7.6844 7.8036 10.5406 10.5406 10.6388 10.6769 10.8899 10.8899 11.4798 11.4798 11.4836 11.5161 12.8313 12.8313 13.7796 13.7796 14.3239 14.3239 14.6559 14.7186 k = 0.1136 0.0656 0.0464 ( 4852 PWs) bands (ev): -67.0561 -67.0561 -36.8499 -36.8499 -35.6495 -35.6495 -35.6494 -35.6494 -0.2724 -0.2724 6.1015 6.1015 6.1373 6.2387 6.4115 6.4115 7.6369 7.6859 7.6859 7.8226 10.5078 10.5078 10.6302 10.6737 10.8741 10.8741 11.4553 11.4553 11.4613 11.4968 12.7811 12.7811 13.7062 13.7062 14.2892 14.2892 14.6087 14.6734 k = 0.1250 0.0722 0.0510 ( 4858 PWs) bands (ev): -67.0568 -67.0568 -36.8500 -36.8500 -35.6496 -35.6496 -35.6495 -35.6494 -0.2485 -0.2485 6.0884 6.0884 6.1404 6.2505 6.4181 6.4181 7.6386 7.6868 7.6868 7.8414 10.4660 10.4660 10.6143 10.6636 10.8506 10.8506 11.4221 11.4221 11.4293 11.4673 12.7124 12.7125 13.6482 13.6482 14.2547 14.2547 14.5604 14.6269 k = 0.1364 0.0787 0.0557 ( 4864 PWs) bands (ev): -67.0574 -67.0574 -36.8500 -36.8500 -35.6496 -35.6496 -35.6495 -35.6495 -0.2225 -0.2225 6.0736 6.0736 6.1442 6.2627 6.4262 6.4262 7.6417 7.6877 7.6877 7.8611 10.4209 10.4209 10.5976 10.6529 10.8259 10.8260 11.3856 11.3856 11.3942 11.4344 12.6281 12.6281 13.6076 13.6076 14.2234 14.2234 14.5146 14.5826 k = 0.1477 0.0853 0.0603 ( 4864 PWs) bands (ev): -67.0574 -67.0574 -36.8500 -36.8500 -35.6497 -35.6497 -35.6495 -35.6495 -0.1946 -0.1946 6.0570 6.0570 6.1488 6.2753 6.4358 6.4358 7.6463 7.6889 7.6889 7.8819 10.3720 10.3720 10.5809 10.6428 10.8004 10.8004 11.3507 11.3507 11.3598 11.4017 12.5308 12.5308 13.5824 13.5824 14.1948 14.1948 14.4716 14.5406 k = 0.1591 0.0919 0.0649 ( 4858 PWs) bands (ev): -67.0568 -67.0568 -36.8500 -36.8500 -35.6497 -35.6497 -35.6495 -35.6495 -0.1648 -0.1648 6.0387 6.0387 6.1541 6.2880 6.4469 6.4469 7.6526 7.6904 7.6904 7.9038 10.3193 10.3193 10.5627 10.6320 10.7730 10.7730 11.3186 11.3186 11.3280 11.3709 12.4246 12.4246 13.5697 13.5697 14.1685 14.1685 14.4308 14.5006 k = 0.1705 0.0984 0.0696 ( 4858 PWs) bands (ev): -67.0568 -67.0568 -36.8501 -36.8501 -35.6497 -35.6497 -35.6495 -35.6495 -0.1332 -0.1332 6.0189 6.0189 6.1599 6.3007 6.4593 6.4593 7.6602 7.6918 7.6918 7.9264 10.2622 10.2622 10.5422 10.6193 10.7432 10.7432 11.2830 11.2830 11.2921 11.3356 12.3127 12.3127 13.5664 13.5664 14.1438 14.1438 14.3921 14.4623 k = 0.1818 0.1050 0.0742 ( 4846 PWs) bands (ev): -67.0556 -67.0556 -36.8501 -36.8501 -35.6498 -35.6498 -35.6495 -35.6495 -0.0998 -0.0998 5.9978 5.9978 6.1665 6.3135 6.4731 6.4731 7.6699 7.6935 7.6935 7.9503 10.2025 10.2025 10.5228 10.6083 10.7141 10.7141 11.2499 11.2499 11.2588 11.3024 12.1997 12.1997 13.5700 13.5700 14.1229 14.1229 14.3575 14.4276 k = 0.1932 0.1115 0.0789 ( 4846 PWs) bands (ev): -67.0555 -67.0555 -36.8501 -36.8501 -35.6498 -35.6498 -35.6495 -35.6495 -0.0649 -0.0649 5.9753 5.9753 6.1735 6.3260 6.4878 6.4878 7.6807 7.6949 7.6949 7.9746 10.1376 10.1376 10.4980 10.5927 10.6799 10.6799 11.2148 11.2148 11.2229 11.2657 12.0859 12.0859 13.5782 13.5782 14.1014 14.1014 14.3229 14.3928 k = 0.2045 0.1181 0.0835 ( 4837 PWs) bands (ev): -67.0546 -67.0546 -36.8501 -36.8501 -35.6498 -35.6498 -35.6495 -35.6495 -0.0284 -0.0284 5.9520 5.9520 6.1810 6.3384 6.5035 6.5035 7.6933 7.6965 7.6965 7.9999 10.0718 10.0718 10.4711 10.5757 10.6443 10.6443 11.1822 11.1822 11.1890 11.2302 11.9790 11.9790 13.5907 13.5907 14.0814 14.0814 14.2903 14.3599 k = 0.2159 0.1247 0.0881 ( 4843 PWs) bands (ev): -67.0552 -67.0552 -36.8501 -36.8501 -35.6499 -35.6499 -35.6495 -35.6495 0.0094 0.0094 5.9273 5.9273 6.1889 6.3503 6.5200 6.5200 7.6976 7.6976 7.7075 8.0257 9.9994 9.9994 10.4411 10.5557 10.6054 10.6054 11.1459 11.1459 11.1520 11.1912 11.8700 11.8700 13.6042 13.6042 14.0624 14.0624 14.2594 14.3283 k = 0.2273 0.1312 0.0928 ( 4852 PWs) bands (ev): -67.0560 -67.0560 -36.8502 -36.8502 -35.6500 -35.6500 -35.6496 -35.6495 0.0485 0.0485 5.9016 5.9016 6.1972 6.3617 6.5371 6.5371 7.6987 7.6987 7.7235 8.0524 9.9238 9.9238 10.4065 10.5315 10.5631 10.5631 11.1114 11.1114 11.1177 11.1545 11.7641 11.7641 13.6187 13.6187 14.0437 14.0437 14.2292 14.2973 k = 0.2386 0.1378 0.0974 ( 4852 PWs) bands (ev): -67.0560 -67.0560 -36.8502 -36.8502 -35.6500 -35.6500 -35.6496 -35.6496 0.0887 0.0887 5.8754 5.8754 6.2059 6.3728 6.5550 6.5550 7.6996 7.6996 7.7414 8.0800 9.8472 9.8472 10.3722 10.5083 10.5210 10.5210 11.0795 11.0795 11.0855 11.1189 11.6655 11.6655 13.6344 13.6344 14.0271 14.0271 14.2021 14.2691 k = 0.2500 0.1443 0.1021 ( 4837 PWs) bands (ev): -67.0545 -67.0545 -36.8502 -36.8502 -35.6500 -35.6500 -35.6495 -35.6495 0.1298 0.1298 5.8487 5.8487 6.2152 6.3835 6.5738 6.5738 7.7004 7.7004 7.7615 8.1086 9.7701 9.7702 10.3380 10.4799 10.4799 10.4857 11.0524 11.0524 11.0588 11.0884 11.5760 11.5760 13.6513 13.6513 14.0136 14.0136 14.1787 14.2442 k = 0.2614 0.1509 0.1067 ( 4849 PWs) bands (ev): -67.0556 -67.0556 -36.8503 -36.8503 -35.6501 -35.6501 -35.6496 -35.6496 0.1717 0.1717 5.8212 5.8212 6.2244 6.3933 6.5924 6.5924 7.7003 7.7003 7.7828 8.1372 9.6899 9.6899 10.2963 10.4326 10.4326 10.4549 11.0199 11.0199 11.0277 11.0535 11.4858 11.4858 13.6666 13.6666 13.9973 13.9973 14.1532 14.2172 k = 0.2727 0.1575 0.1113 ( 4852 PWs) bands (ev): -67.0559 -67.0559 -36.8503 -36.8503 -35.6502 -35.6502 -35.6496 -35.6496 0.2142 0.2142 5.7934 5.7934 6.2340 6.4025 6.6116 6.6116 7.6997 7.6997 7.8063 8.1666 9.6103 9.6103 10.2549 10.3864 10.3864 10.4244 10.9899 10.9899 10.9996 11.0213 11.4035 11.4035 13.6820 13.6820 13.9835 13.9835 14.1309 14.1932 k = 0.2841 0.1640 0.1160 ( 4852 PWs) bands (ev): -67.0559 -67.0559 -36.8503 -36.8503 -35.6502 -35.6502 -35.6496 -35.6496 0.2571 0.2571 5.7655 5.7655 6.2438 6.4110 6.6310 6.6310 7.6985 7.6985 7.8315 8.1965 9.5316 9.5316 10.2119 10.3395 10.3395 10.3918 10.9621 10.9621 10.9742 10.9919 11.3281 11.3281 13.6974 13.6974 13.9705 13.9705 14.1103 14.1706 k = 0.2955 0.1706 0.1206 ( 4849 PWs) bands (ev): -67.0555 -67.0555 -36.8503 -36.8503 -35.6503 -35.6503 -35.6496 -35.6496 0.3002 0.3002 5.7375 5.7375 6.2538 6.4186 6.6505 6.6505 7.6964 7.6964 7.8588 8.2269 9.4548 9.4548 10.1676 10.2928 10.2928 10.3570 10.9348 10.9348 10.9507 10.9649 11.2606 11.2606 13.7127 13.7127 13.9591 13.9591 14.0914 14.1496 k = 0.3068 0.1771 0.1253 ( 4849 PWs) bands (ev): -67.0555 -67.0555 -36.8504 -36.8504 -35.6503 -35.6503 -35.6496 -35.6496 0.3433 0.3433 5.7093 5.7093 6.2639 6.4255 6.6699 6.6699 7.6933 7.6933 7.8876 8.2574 9.3797 9.3797 10.1218 10.2452 10.2452 10.3200 10.9088 10.9088 10.9288 10.9395 11.1965 11.1965 13.7268 13.7268 13.9477 13.9477 14.0737 14.1295 k = 0.3182 0.1837 0.1299 ( 4855 PWs) bands (ev): -67.0560 -67.0560 -36.8504 -36.8504 -35.6504 -35.6504 -35.6497 -35.6497 0.3861 0.3861 5.6813 5.6813 6.2741 6.4315 6.6891 6.6891 7.6889 7.6889 7.9179 8.2877 9.3076 9.3076 10.0744 10.1969 10.1969 10.2802 10.8816 10.8816 10.9061 10.9136 11.1375 11.1375 13.7403 13.7403 13.9362 13.9362 14.0564 14.1099 k = 0.3295 0.1903 0.1345 ( 4867 PWs) bands (ev): -67.0571 -67.0571 -36.8505 -36.8505 -35.6505 -35.6505 -35.6497 -35.6497 0.4283 0.4283 5.6534 5.6534 6.2843 6.4366 6.7081 6.7081 7.6832 7.6832 7.9498 8.3179 9.2389 9.2389 10.0272 10.1494 10.1494 10.2393 10.8531 10.8531 10.8828 10.8876 11.0793 11.0793 13.7509 13.7509 13.9260 13.9260 14.0410 14.0919 k = 0.3409 0.1968 0.1392 ( 4867 PWs) bands (ev): -67.0571 -67.0571 -36.8505 -36.8505 -35.6506 -35.6506 -35.6497 -35.6497 0.4698 0.4698 5.6261 5.6261 6.2945 6.4409 6.7268 6.7268 7.6762 7.6762 7.9834 8.3479 9.1752 9.1752 9.9803 10.1032 10.1032 10.1972 10.8298 10.8298 10.8658 10.8683 11.0305 11.0305 13.7627 13.7627 13.9168 13.9168 14.0272 14.0753 k = 0.3523 0.2034 0.1438 ( 4849 PWs) bands (ev): -67.0552 -67.0552 -36.8505 -36.8505 -35.6505 -35.6505 -35.6497 -35.6497 0.5103 0.5103 5.5996 5.5996 6.3049 6.4445 6.7452 6.7452 7.6679 7.6679 8.0185 8.3773 9.1168 9.1168 9.9353 10.0592 10.0592 10.1554 10.8144 10.8144 10.8573 10.8579 10.9918 10.9918 13.7758 13.7758 13.9095 13.9095 14.0158 14.0609 k = 0.3636 0.2099 0.1485 ( 4849 PWs) bands (ev): -67.0552 -67.0552 -36.8505 -36.8505 -35.6506 -35.6506 -35.6497 -35.6497 0.5494 0.5494 5.5736 5.5736 6.3150 6.4470 6.7629 6.7629 7.6580 7.6580 8.0546 8.4054 9.0633 9.0633 9.8900 10.0154 10.0154 10.1113 10.7928 10.7928 10.8423 10.8431 10.9524 10.9524 13.7860 13.7860 13.9017 13.9017 14.0043 14.0465 k = 0.3750 0.2165 0.1531 ( 4850 PWs) bands (ev): -67.0553 -67.0553 -36.8505 -36.8505 -35.6506 -35.6506 -35.6497 -35.6497 0.5868 0.5868 5.5485 5.5485 6.3250 6.4487 6.7798 6.7798 7.6468 7.6468 8.0918 8.4322 9.0154 9.0154 9.8465 9.9734 9.9734 10.0668 10.7723 10.7723 10.8296 10.8314 10.9153 10.9153 13.7943 13.7943 13.8945 13.8945 13.9941 14.0331 k = 0.3864 0.2231 0.1577 ( 4865 PWs) bands (ev): -67.0567 -67.0567 -36.8506 -36.8506 -35.6507 -35.6507 -35.6498 -35.6498 0.6223 0.6223 5.5245 5.5245 6.3348 6.4495 6.7958 6.7958 7.6345 7.6345 8.1297 8.4568 8.9730 8.9730 9.8040 9.9322 9.9322 10.0207 10.7467 10.7467 10.8109 10.8134 10.8807 10.8807 13.8013 13.8013 13.8866 13.8866 13.9836 14.0194 k = 0.3977 0.2296 0.1624 ( 4883 PWs) bands (ev): -67.0585 -67.0585 -36.8506 -36.8506 -35.6508 -35.6508 -35.6498 -35.6498 0.6555 0.6555 5.5018 5.5018 6.3445 6.4495 6.8109 6.8109 7.6213 7.6213 8.1680 8.4789 8.9363 8.9363 9.7649 9.8933 9.8933 9.9754 10.7216 10.7216 10.7931 10.7961 10.8476 10.8476 13.8059 13.8059 13.8794 13.8794 13.9746 14.0071 k = 0.4091 0.2362 0.1670 ( 4871 PWs) bands (ev): -67.0573 -67.0573 -36.8506 -36.8506 -35.6508 -35.6508 -35.6498 -35.6498 0.6863 0.6863 5.4810 5.4810 6.3540 6.4488 6.8251 6.8251 7.6077 7.6077 8.2070 8.4982 8.9056 8.9056 9.7310 9.8590 9.8590 9.9321 10.7084 10.7084 10.7891 10.7922 10.8282 10.8282 13.8142 13.8142 13.8747 13.8747 13.9680 13.9971 k = 0.4205 0.2427 0.1716 ( 4859 PWs) bands (ev): -67.0561 -67.0561 -36.8506 -36.8506 -35.6508 -35.6508 -35.6498 -35.6497 0.7143 0.7143 5.4619 5.4619 6.3633 6.4474 6.8383 6.8383 7.5941 7.5941 8.2462 8.5137 8.8799 8.8799 9.7040 9.8295 9.8295 9.8922 10.6945 10.6945 10.7833 10.7865 10.8109 10.8109 13.8205 13.8205 13.8730 13.8730 13.9649 13.9904 k = 0.4318 0.2493 0.1763 ( 4859 PWs) bands (ev): -67.0561 -67.0561 -36.8506 -36.8506 -35.6508 -35.6508 -35.6497 -35.6497 0.7391 0.7391 5.4447 5.4447 6.3722 6.4451 6.8500 6.8500 7.5809 7.5809 8.2848 8.5249 8.8589 8.8589 9.6802 9.8018 9.8018 9.8518 10.6787 10.6787 10.7765 10.7794 10.7931 10.7931 13.8246 13.8246 13.8697 13.8697 13.9606 13.9826 k = 0.4432 0.2559 0.1809 ( 4859 PWs) bands (ev): -67.0561 -67.0561 -36.8506 -36.8506 -35.6509 -35.6509 -35.6498 -35.6497 0.7606 0.7606 5.4298 5.4298 6.3808 6.4422 6.8601 6.8601 7.5687 7.5687 8.3225 8.5310 8.8423 8.8423 9.6616 9.7771 9.7771 9.8128 10.6657 10.6657 10.7706 10.7732 10.7796 10.7796 13.8288 13.8288 13.8664 13.8664 13.9568 13.9752 k = 0.4545 0.2624 0.1856 ( 4865 PWs) bands (ev): -67.0567 -67.0567 -36.8507 -36.8507 -35.6509 -35.6509 -35.6498 -35.6498 0.7785 0.7785 5.4173 5.4173 6.3890 6.4385 6.8686 6.8686 7.5579 7.5579 8.3588 8.5318 8.8294 8.8294 9.6484 9.7554 9.7554 9.7753 10.6536 10.6536 10.7636 10.7659 10.7675 10.7675 13.8320 13.8320 13.8628 13.8628 13.9530 13.9678 k = 0.4659 0.2690 0.1902 ( 4871 PWs) bands (ev): -67.0573 -67.0573 -36.8507 -36.8507 -35.6509 -35.6509 -35.6498 -35.6498 0.7927 0.7927 5.4074 5.4074 6.3969 6.4342 6.8754 6.8754 7.5490 7.5490 8.3933 8.5269 8.8200 8.8200 9.6424 9.7383 9.7383 9.7413 10.6437 10.6437 10.7569 10.7575 10.7575 10.7587 13.8343 13.8343 13.8603 13.8603 13.9507 13.9619 k = 0.4773 0.2756 0.1948 ( 4874 PWs) bands (ev): -67.0576 -67.0576 -36.8507 -36.8507 -35.6509 -35.6509 -35.6498 -35.6498 0.8029 0.8029 5.4002 5.4002 6.4044 6.4293 6.8804 6.8804 7.5423 7.5423 8.4254 8.5165 8.8135 8.8135 9.6439 9.7117 9.7263 9.7263 10.6362 10.6362 10.7504 10.7504 10.7537 10.7549 13.8353 13.8353 13.8588 13.8588 13.9500 13.9575 k = 0.4886 0.2821 0.1995 ( 4856 PWs) bands (ev): -67.0558 -67.0558 -36.8507 -36.8507 -35.6509 -35.6509 -35.6498 -35.6498 0.8091 0.8091 5.3959 5.3959 6.4114 6.4239 6.8836 6.8836 7.5382 7.5382 8.4546 8.5007 8.8098 8.8098 9.6534 9.6879 9.7204 9.7204 10.6371 10.6371 10.7530 10.7530 10.7623 10.7629 13.8372 13.8372 13.8595 13.8595 13.9519 13.9556 k = 0.5000 0.2887 0.2041 ( 4850 PWs) bands (ev): -67.0552 -67.0552 -36.8506 -36.8506 -35.6509 -35.6509 -35.6498 -35.6498 0.8113 0.8113 5.3946 5.3946 6.4179 6.4179 6.8846 6.8846 7.5368 7.5368 8.4798 8.4798 8.8087 8.8087 9.6678 9.6678 9.7180 9.7180 10.6395 10.6395 10.7544 10.7544 10.7624 10.7624 13.8396 13.8396 13.8599 13.8599 13.9533 13.9533 k = 0.5000 0.2887 0.2041 ( 4850 PWs) bands (ev): -67.0552 -67.0552 -36.8506 -36.8506 -35.6509 -35.6509 -35.6498 -35.6498 0.8113 0.8113 5.3946 5.3946 6.4179 6.4179 6.8846 6.8846 7.5368 7.5368 8.4798 8.4798 8.8087 8.8087 9.6678 9.6678 9.7180 9.7180 10.6395 10.6395 10.7544 10.7544 10.7624 10.7624 13.8396 13.8396 13.8599 13.8599 13.9533 13.9533 k = 0.5039 0.2774 0.2105 ( 4852 PWs) bands (ev): -67.0554 -67.0554 -36.8507 -36.8506 -35.6509 -35.6508 -35.6498 -35.6498 0.8106 0.8133 5.3936 5.3971 6.4177 6.4177 6.8836 6.8843 7.5296 7.5434 8.4796 8.4796 8.8022 8.8126 9.6668 9.6670 9.7134 9.7225 10.6305 10.6481 10.7447 10.7586 10.7642 10.7679 13.7594 13.7772 13.8736 13.8912 13.9946 13.9954 k = 0.5078 0.2661 0.2169 ( 4862 PWs) bands (ev): -67.0564 -67.0564 -36.8507 -36.8506 -35.6509 -35.6509 -35.6498 -35.6498 0.8114 0.8166 5.3941 5.4010 6.4169 6.4171 6.8813 6.8829 7.5219 7.5496 8.4790 8.4790 8.7931 8.8141 9.6643 9.6653 9.7096 9.7275 10.6195 10.6552 10.7311 10.7567 10.7645 10.7746 13.6647 13.6853 13.8619 13.8843 14.0773 14.0780 k = 0.5117 0.2548 0.2233 ( 4863 PWs) bands (ev): -67.0565 -67.0565 -36.8507 -36.8506 -35.6509 -35.6509 -35.6498 -35.6498 0.8136 0.8214 5.3960 5.4066 6.4154 6.4161 6.8778 6.8809 7.5137 7.5553 8.4780 8.4782 8.7815 8.8133 9.6625 9.6643 9.7079 9.7344 10.6121 10.6632 10.7237 10.7547 10.7681 10.7883 13.5686 13.5925 13.8354 13.8645 14.1657 14.1696 k = 0.5156 0.2436 0.2296 ( 4861 PWs) bands (ev): -67.0563 -67.0563 -36.8507 -36.8506 -35.6509 -35.6508 -35.6498 -35.6498 0.8171 0.8275 5.3994 5.4136 6.4131 6.4147 6.8731 6.8783 7.5049 7.5605 8.4766 8.4770 8.7674 8.8105 9.6588 9.6644 9.7093 9.7414 10.6065 10.6703 10.7188 10.7537 10.7752 10.8043 13.4709 13.4983 13.8014 13.8377 14.2526 14.2607 k = 0.5195 0.2323 0.2360 ( 4864 PWs) bands (ev): -67.0566 -67.0566 -36.8507 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8219 0.8349 5.4042 5.4220 6.4097 6.4129 6.8670 6.8755 7.4956 7.5653 8.4749 8.4756 8.7510 8.8058 9.6528 9.6636 9.7114 9.7476 10.6000 10.6751 10.7132 10.7534 10.7833 10.8187 13.3726 13.4034 13.7586 13.8016 14.3366 14.3492 k = 0.5234 0.2210 0.2424 ( 4859 PWs) bands (ev): -67.0561 -67.0561 -36.8507 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8281 0.8436 5.4103 5.4319 6.4051 6.4105 6.8601 6.8729 7.4858 7.5698 8.4728 8.4740 8.7326 8.7996 9.6467 9.6637 9.7154 9.7547 10.5964 10.6794 10.7129 10.7573 10.7957 10.8353 13.2766 13.3107 13.7094 13.7589 14.4176 14.4352 k = 0.5273 0.2097 0.2488 ( 4861 PWs) bands (ev): -67.0563 -67.0563 -36.8508 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8355 0.8535 5.4175 5.4430 6.3991 6.4074 6.8523 6.8707 7.4755 7.5738 8.4705 8.4721 8.7122 8.7921 9.6397 9.6630 9.7191 9.7616 10.5908 10.6767 10.7139 10.7589 10.8084 10.8509 13.1811 13.2182 13.6531 13.7085 14.4926 14.5157 k = 0.5312 0.1985 0.2552 ( 4865 PWs) bands (ev): -67.0566 -67.0566 -36.8508 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8442 0.8647 5.4258 5.4554 6.3913 6.4034 6.8439 6.8694 7.4647 7.5774 8.4679 8.4701 8.6901 8.7836 9.6294 9.6610 9.7224 9.7662 10.5871 10.6741 10.7162 10.7608 10.8230 10.8677 13.0857 13.1257 13.5911 13.6518 14.5621 14.5911 k = 0.5352 0.1872 0.2615 ( 4865 PWs) bands (ev): -67.0566 -67.0566 -36.8508 -36.8506 -35.6510 -35.6508 -35.6499 -35.6498 0.8541 0.8770 5.4351 5.4688 6.3818 6.3985 6.8354 6.8695 7.4535 7.5807 8.4652 8.4679 8.6668 8.7746 9.6183 9.6597 9.7271 9.7706 10.5851 10.6717 10.7200 10.7641 10.8400 10.8858 12.9927 13.0353 13.5263 13.5917 14.6248 14.6598 k = 0.5391 0.1759 0.2679 ( 4863 PWs) bands (ev): -67.0564 -67.0564 -36.8508 -36.8506 -35.6510 -35.6508 -35.6499 -35.6499 0.8652 0.8904 5.4451 5.4832 6.3706 6.3923 6.8271 6.8711 7.4418 7.5836 8.4624 8.4655 8.6425 8.7654 9.6065 9.6582 9.7316 9.7749 10.5844 10.6695 10.7241 10.7676 10.8586 10.9048 12.9033 12.9480 13.4579 13.5274 14.6798 14.7212 k = 0.5430 0.1646 0.2743 ( 4858 PWs) bands (ev): -67.0559 -67.0559 -36.8508 -36.8506 -35.6510 -35.6507 -35.6499 -35.6499 0.8773 0.9049 5.4557 5.4984 6.3575 6.3848 6.8194 6.8744 7.4298 7.5861 8.4596 8.4630 8.6177 8.7562 9.5924 9.6566 9.7370 9.7780 10.5855 10.6690 10.7289 10.7725 10.8794 10.9254 12.8163 12.8627 13.3881 13.4610 14.7261 14.7741 k = 0.5469 0.1534 0.2807 ( 4863 PWs) bands (ev): -67.0564 -67.0564 -36.8509 -36.8506 -35.6511 -35.6507 -35.6499 -35.6499 0.8904 0.9203 5.4665 5.5141 6.3429 6.3759 6.8125 6.8797 7.4175 7.5882 8.4565 8.4602 8.5926 8.7471 9.5748 9.6528 9.7406 9.7785 10.5835 10.6651 10.7331 10.7768 10.8976 10.9433 12.7293 12.7772 13.3148 13.3906 14.7638 14.8179 k = 0.5508 0.1421 0.2870 ( 4859 PWs) bands (ev): -67.0560 -67.0560 -36.8509 -36.8506 -35.6511 -35.6507 -35.6499 -35.6499 0.9044 0.9365 5.4773 5.5299 6.3271 6.3657 6.8070 6.8870 7.4049 7.5898 8.4531 8.4573 8.5681 8.7386 9.5562 9.6501 9.7462 9.7792 10.5849 10.6640 10.7380 10.7821 10.9184 10.9634 12.6474 12.6960 13.2431 13.3212 14.7927 14.8525 k = 0.5547 0.1308 0.2934 ( 4862 PWs) bands (ev): -67.0563 -67.0563 -36.8509 -36.8506 -35.6511 -35.6507 -35.6500 -35.6499 0.9193 0.9535 5.4876 5.5455 6.3105 6.3544 6.8030 6.8964 7.3921 7.5910 8.4488 8.4541 8.5450 8.7309 9.5351 9.6455 9.7500 9.7782 10.5839 10.6602 10.7424 10.7869 10.9367 10.9808 12.5682 12.6171 13.1692 13.2491 14.8135 14.8783 k = 0.5586 0.1195 0.2998 ( 4865 PWs) bands (ev): -67.0565 -67.0565 -36.8509 -36.8506 -35.6511 -35.6507 -35.6500 -35.6500 0.9349 0.9712 5.4972 5.5605 6.2937 6.3424 6.8007 6.9075 7.3792 7.5915 8.4423 8.4507 8.5252 8.7240 9.5114 9.6390 9.7522 9.7754 10.5856 10.6593 10.7449 10.7900 10.9566 11.0000 12.4930 12.5417 13.0938 13.1751 14.8273 14.8961 k = 0.5625 0.1083 0.3062 ( 4858 PWs) bands (ev): -67.0558 -67.0558 -36.8509 -36.8506 -35.6511 -35.6507 -35.6500 -35.6499 0.9512 0.9894 5.5054 5.5743 6.2773 6.3303 6.8002 6.9208 7.3661 7.5916 8.4322 8.4471 8.5105 8.7185 9.4861 9.6335 9.7569 9.7732 10.5882 10.6592 10.7509 10.7968 10.9765 11.0193 12.4246 12.4724 13.0229 13.1049 14.8351 14.9071 k = 0.5664 0.0970 0.3126 ( 4863 PWs) bands (ev): -67.0563 -67.0563 -36.8509 -36.8506 -35.6511 -35.6507 -35.6500 -35.6500 0.9679 1.0081 5.5118 5.5863 6.2621 6.3188 6.8014 6.9355 7.3530 7.5909 8.4172 8.4432 8.5024 8.7139 9.4573 9.6247 9.7580 9.7683 10.5888 10.6567 10.7538 10.8004 10.9937 11.0360 12.3580 12.4047 12.9492 13.0316 14.8381 14.9122 k = 0.5703 0.0857 0.3189 ( 4871 PWs) bands (ev): -67.0571 -67.0571 -36.8510 -36.8506 -35.6512 -35.6507 -35.6501 -35.6500 0.9851 1.0270 5.5157 5.5957 6.2487 6.3087 6.8041 6.9519 7.3400 7.5896 8.3982 8.4391 8.5004 8.7103 9.4256 9.6141 9.7579 9.7618 10.5900 10.6550 10.7540 10.8015 11.0114 11.0534 12.2939 12.3392 12.8761 12.9584 14.8375 14.9129 k = 0.5742 0.0744 0.3253 ( 4864 PWs) bands (ev): -67.0564 -67.0564 -36.8510 -36.8506 -35.6511 -35.6506 -35.6501 -35.6500 1.0026 1.0462 5.5168 5.6020 6.2381 6.3012 6.8086 6.9698 7.3271 7.5876 8.3776 8.4350 8.5031 8.7082 9.3921 9.6036 9.7558 9.7592 10.5952 10.6572 10.7595 10.8077 11.0312 11.0730 12.2385 12.2818 12.8077 12.8895 14.8349 14.9109 k = 0.5781 0.0631 0.3317 ( 4868 PWs) bands (ev): -67.0568 -67.0568 -36.8510 -36.8506 -35.6512 -35.6506 -35.6502 -35.6501 1.0203 1.0654 5.5142 5.6041 6.2308 6.2972 6.8143 6.9888 7.3145 7.5849 8.3562 8.4308 8.5092 8.7067 9.3562 9.5911 9.7482 9.7582 10.5972 10.6562 10.7615 10.8104 11.0451 11.0871 12.1873 12.2285 12.7394 12.8203 14.8292 14.9051 k = 0.5820 0.0519 0.3381 ( 4865 PWs) bands (ev): -67.0565 -67.0565 -36.8510 -36.8506 -35.6512 -35.6506 -35.6502 -35.6501 1.0379 1.0844 5.5079 5.6016 6.2275 6.2976 6.8213 7.0091 7.3021 7.5814 8.3352 8.4267 8.5183 8.7062 9.3180 9.5782 9.7409 9.7582 10.6012 10.6569 10.7657 10.8152 11.0596 11.1018 12.1415 12.1802 12.6760 12.7555 14.8225 14.8979 k = 0.5859 0.0406 0.3445 ( 4859 PWs) bands (ev): -67.0559 -67.0559 -36.8510 -36.8506 -35.6512 -35.6506 -35.6502 -35.6501 1.0553 1.1031 5.4976 5.5942 6.2284 6.3029 6.8294 7.0304 7.2902 7.5772 8.3151 8.4227 8.5301 8.7061 9.2776 9.5646 9.7336 9.7585 10.6056 10.6583 10.7714 10.8212 11.0733 11.1161 12.0997 12.1359 12.6172 12.6949 14.8149 14.8895 k = 0.5898 0.0293 0.3508 ( 4857 PWs) bands (ev): -67.0557 -67.0557 -36.8510 -36.8506 -35.6511 -35.6506 -35.6502 -35.6501 1.0725 1.1214 5.4833 5.5818 6.2337 6.3135 6.8383 7.0524 7.2788 7.5724 8.2961 8.4188 8.5445 8.7061 9.2354 9.5500 9.7248 9.7561 10.6107 10.6604 10.7748 10.8250 11.0849 11.1284 12.0630 12.0966 12.5588 12.6346 14.8070 14.8805 k = 0.5938 0.0180 0.3572 ( 4851 PWs) bands (ev): -67.0551 -67.0551 -36.8510 -36.8506 -35.6511 -35.6505 -35.6502 -35.6501 1.0892 1.1391 5.4653 5.5647 6.2433 6.3293 6.8480 7.0751 7.2679 7.5670 8.2786 8.4152 8.5614 8.7059 9.1917 9.5357 9.7163 9.7539 10.6156 10.6622 10.7810 10.8312 11.0951 11.1395 12.0313 12.0624 12.5057 12.5791 14.7991 14.8714 k = 0.5977 0.0068 0.3636 ( 4857 PWs) bands (ev): -67.0557 -67.0557 -36.8510 -36.8506 -35.6512 -35.6506 -35.6503 -35.6501 1.1052 1.1559 5.4440 5.5432 6.2569 6.3501 6.8582 7.0979 7.2577 7.5610 8.2627 8.4117 8.5805 8.7046 9.1463 9.5210 9.7051 9.7478 10.6197 10.6635 10.7828 10.8329 11.1021 11.1478 12.0011 12.0297 12.4511 12.5223 14.7910 14.8620 k = 0.6016-0.0045 0.3700 ( 4857 PWs) bands (ev): -67.0557 -67.0557 -36.8510 -36.8506 -35.6512 -35.6505 -35.6503 -35.6501 1.1203 1.1717 5.4200 5.5182 6.2740 6.3754 6.8689 7.1212 7.2484 7.5547 8.2487 8.4084 8.6020 8.7025 9.1005 9.5081 9.6940 9.7413 10.6253 10.6660 10.7874 10.8374 11.1080 11.1548 11.9777 12.0039 12.4010 12.4696 14.7835 14.8531 k = 0.6055-0.0158 0.3764 ( 4859 PWs) bands (ev): -67.0559 -67.0559 -36.8510 -36.8506 -35.6512 -35.6505 -35.6503 -35.6501 1.1345 1.1863 5.3939 5.4904 6.2941 6.4045 6.8801 7.1444 7.2398 7.5481 8.2366 8.4052 8.6259 8.6988 9.0542 9.4971 9.6824 9.7335 10.6300 10.6681 10.7923 10.8419 11.1110 11.1593 11.9582 11.9821 12.3540 12.4199 14.7763 14.8446 k = 0.6094-0.0271 0.3827 ( 4865 PWs) bands (ev): -67.0565 -67.0565 -36.8511 -36.8506 -35.6512 -35.6506 -35.6503 -35.6502 1.1474 1.1994 5.3663 5.4605 6.3169 6.4368 6.8918 7.1674 7.2322 7.5416 8.2264 8.4022 8.6517 8.6932 9.0079 9.4885 9.6703 9.7246 10.6340 10.6695 10.7955 10.8444 11.1117 11.1616 11.9415 11.9635 12.3097 12.3730 14.7696 14.8365 k = 0.6133-0.0383 0.3891 ( 4869 PWs) bands (ev): -67.0569 -67.0569 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1589 1.2110 5.3378 5.4293 6.3416 6.4716 6.9040 7.1899 7.2256 7.5353 8.2184 8.3993 8.6793 8.6854 8.9623 9.4831 9.6586 9.7155 10.6366 10.6698 10.8022 10.8502 11.1087 11.1604 11.9306 11.9506 12.2701 12.3306 14.7631 14.8288 k = 0.6172-0.0496 0.3955 ( 4867 PWs) bands (ev): -67.0567 -67.0567 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1689 1.2208 5.3090 5.3975 6.3679 6.5081 6.9170 7.2117 7.2201 7.5296 8.2126 8.3963 8.6752 8.7077 8.9187 9.4810 9.6476 9.7061 10.6427 10.6738 10.8108 10.8578 11.1074 11.1607 11.9222 11.9405 12.2350 12.2927 14.7573 14.8219 k = 0.6211-0.0609 0.4019 ( 4868 PWs) bands (ev): -67.0568 -67.0568 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1771 1.2287 5.2804 5.3655 6.3952 6.5454 6.9308 7.2159 7.2321 7.5248 8.2089 8.3930 8.6627 8.7343 8.8796 9.4823 9.6364 9.6952 10.6495 10.6787 10.8177 10.8635 11.1051 11.1599 11.9171 11.9337 12.2013 12.2564 14.7521 14.8156 k = 0.6250-0.0722 0.4082 ( 4882 PWs) bands (ev): -67.0582 -67.0582 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6502 1.1833 1.2343 5.2524 5.3339 6.4229 6.5827 6.9458 7.2129 7.2506 7.5214 8.2073 8.3887 8.6476 8.7500 8.8537 9.4863 9.6257 9.6826 10.6538 10.6814 10.8225 10.8671 11.0984 11.1545 11.9097 11.9249 12.1675 12.2203 14.7462 14.8088 k = 0.6250-0.0722 0.4082 ( 4882 PWs) bands (ev): -67.0582 -67.0582 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6502 1.1833 1.2343 5.2524 5.3339 6.4229 6.5827 6.9458 7.2129 7.2506 7.5214 8.2073 8.3887 8.6476 8.7500 8.8537 9.4863 9.6257 9.6826 10.6538 10.6814 10.8225 10.8671 11.0984 11.1545 11.9097 11.9249 12.1675 12.2203 14.7462 14.8088 k = 0.6181-0.0682 0.4196 ( 4868 PWs) bands (ev): -67.0568 -67.0568 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6502 1.1836 1.2346 5.2539 5.3357 6.4176 6.5811 6.9439 7.2105 7.2601 7.5225 8.2078 8.3883 8.6450 8.7525 8.8534 9.4856 9.6225 9.6869 10.6568 10.6843 10.8262 10.8706 11.1026 11.1587 11.9127 11.9289 12.1678 12.2202 14.7573 14.8218 k = 0.6111-0.0642 0.4309 ( 4870 PWs) bands (ev): -67.0570 -67.0570 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6502 1.1843 1.2355 5.2583 5.3407 6.4020 6.5748 6.9394 7.2067 7.2836 7.5257 8.2088 8.3859 8.6371 8.7572 8.8524 9.4815 9.6123 9.6927 10.6571 10.6841 10.8227 10.8668 11.1045 11.1605 11.9095 11.9287 12.1567 12.2086 14.7880 14.8577 k = 0.6042-0.0601 0.4423 ( 4870 PWs) bands (ev): -67.0570 -67.0570 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6502 1.1854 1.2369 5.2656 5.3492 6.3783 6.5623 6.9349 7.2038 7.3162 7.5309 8.2104 8.3821 8.6258 8.7622 8.8520 9.4742 9.6001 9.6992 10.6576 10.6838 10.8190 10.8625 11.1077 11.1636 11.9053 11.9289 12.1407 12.1913 14.8392 14.9158 k = 0.5972-0.0561 0.4536 ( 4866 PWs) bands (ev): -67.0566 -67.0566 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1869 1.2389 5.2758 5.3609 6.3483 6.5420 6.9327 7.2018 7.3550 7.5383 8.2129 8.3768 8.6129 8.7644 8.8539 9.4632 9.5886 9.7050 10.6595 10.6846 10.8142 10.8566 11.1139 11.1695 11.9000 11.9297 12.1223 12.1703 14.9101 14.9938 k = 0.5903-0.0521 0.4649 ( 4866 PWs) bands (ev): -67.0566 -67.0566 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1888 1.2413 5.2888 5.3760 6.3139 6.5139 6.9337 7.2004 7.3981 7.5476 8.2159 8.3697 8.5990 8.7612 8.8595 9.4476 9.5792 9.7092 10.6594 10.6833 10.8065 10.8475 11.1191 11.1749 11.8934 11.9300 12.1013 12.1457 14.9991 15.0891 k = 0.5833-0.0481 0.4763 ( 4864 PWs) bands (ev): -67.0564 -67.0563 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1911 1.2442 5.3046 5.3943 6.2760 6.4789 6.9373 7.1994 7.4441 7.5588 8.2197 8.3609 8.5852 8.7519 8.8693 9.4278 9.5723 9.7108 10.6610 10.6833 10.7976 10.8372 11.1253 11.1810 11.8840 11.9303 12.0819 12.1203 15.1048 15.1996 k = 0.5764-0.0441 0.4876 ( 4863 PWs) bands (ev): -67.0562 -67.0562 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1937 1.2474 5.3233 5.4159 6.2355 6.4381 6.9426 7.1986 7.4919 7.5715 8.2240 8.3500 8.5718 8.7371 8.8823 9.4043 9.5677 9.7094 10.6629 10.6831 10.7902 10.8287 11.1317 11.1875 11.8719 11.9286 12.0609 12.0922 15.2254 15.3230 k = 0.5694-0.0401 0.4990 ( 4856 PWs) bands (ev): -67.0555 -67.0555 -36.8511 -36.8506 -35.6512 -35.6505 -35.6503 -35.6502 1.1965 1.2509 5.3447 5.4408 6.1932 6.3930 6.9487 7.1980 7.5408 7.5857 8.2288 8.3375 8.5594 8.7181 8.8976 9.3784 9.5656 9.7064 10.6668 10.6850 10.7822 10.8194 11.1405 11.1965 11.8609 11.9283 12.0429 12.0669 15.3594 15.4577 k = 0.5625-0.0361 0.5103 ( 4862 PWs) bands (ev): -67.0561 -67.0561 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1995 1.2547 5.3685 5.4686 6.1493 6.3446 6.9546 7.1976 7.5896 7.6012 8.2334 8.3235 8.5478 8.6955 8.9139 9.3506 9.5646 9.7007 10.6659 10.6821 10.7715 10.8072 11.1442 11.2010 11.8463 11.9240 12.0235 12.0418 15.5037 15.6003 k = 0.5556-0.0321 0.5217 ( 4860 PWs) bands (ev): -67.0559 -67.0559 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.2027 1.2586 5.3950 5.4997 6.1045 6.2938 6.9600 7.1972 7.6159 7.6395 8.2367 8.3101 8.5373 8.6705 8.9314 9.3224 9.5652 9.6935 10.6687 10.6829 10.7610 10.7957 11.1511 11.2086 11.8337 11.9212 12.0065 12.0221 15.6576 15.7501 k = 0.5486-0.0281 0.5330 ( 4862 PWs) bands (ev): -67.0561 -67.0561 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.2059 1.2624 5.4238 5.5337 6.0590 6.2413 6.9646 7.1970 7.6318 7.6874 8.2358 8.3003 8.5275 8.6439 8.9492 9.2940 9.5666 9.6843 10.6702 10.6825 10.7505 10.7844 11.1559 11.2143 11.8193 11.9153 11.9906 12.0073 15.8178 15.9043 k = 0.5417-0.0241 0.5443 ( 4856 PWs) bands (ev): -67.0555 -67.0555 -36.8511 -36.8506 -35.6512 -35.6505 -35.6504 -35.6502 1.2090 1.2663 5.4548 5.5707 6.0134 6.1876 6.9683 7.1968 7.6474 7.7338 8.2273 8.2984 8.5177 8.6169 8.9675 9.2666 9.5692 9.6748 10.6722 10.6835 10.7445 10.7778 11.1616 11.2208 11.8082 11.9094 11.9805 11.9984 15.9810 16.0608 k = 0.5347-0.0200 0.5557 ( 4866 PWs) bands (ev): -67.0564 -67.0564 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6503 1.2119 1.2698 5.4875 5.6104 5.9678 6.1331 6.9709 7.1965 7.6618 7.7773 8.2115 8.3042 8.5066 8.5914 8.9855 9.2400 9.5722 9.6639 10.6706 10.6820 10.7312 10.7648 11.1623 11.2225 11.7976 11.9016 11.9675 11.9852 16.1408 16.2172 k = 0.5278-0.0160 0.5670 ( 4867 PWs) bands (ev): -67.0565 -67.0565 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6503 1.2146 1.2731 5.5216 5.6528 5.9231 6.0783 6.9728 7.1964 7.6751 7.8169 8.1930 8.3156 8.4918 8.5705 9.0028 9.2153 9.5755 9.6524 10.6711 10.6830 10.7231 10.7559 11.1656 11.2265 11.7873 11.8929 11.9628 11.9796 16.2888 16.3729 k = 0.5208-0.0120 0.5784 ( 4865 PWs) bands (ev): -67.0563 -67.0563 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6503 1.2169 1.2759 5.5560 5.6975 5.8804 6.0238 6.9740 7.1962 7.6865 7.8507 8.1749 8.3307 8.4720 8.5561 9.0192 9.1931 9.5794 9.6415 10.6716 10.6863 10.7172 10.7514 11.1687 11.2302 11.7789 11.8850 11.9610 11.9758 16.4141 16.5228 k = 0.5139-0.0080 0.5897 ( 4875 PWs) bands (ev): -67.0573 -67.0573 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6503 1.2187 1.2780 5.5887 5.7437 5.8415 5.9703 6.9746 7.1960 7.6952 7.8764 8.1597 8.3486 8.4479 8.5480 9.0326 9.1745 9.5828 9.6306 10.6703 10.6874 10.7076 10.7428 11.1688 11.2307 11.7706 11.8770 11.9559 11.9687 16.5070 16.6517 k = 0.5069-0.0040 0.6010 ( 4888 PWs) bands (ev): -67.0586 -67.0586 -36.8512 -36.8507 -35.6513 -35.6506 -35.6505 -35.6504 1.2199 1.2794 5.6151 5.7890 5.8113 5.9204 6.9748 7.1958 7.7008 7.8921 8.1500 8.3688 8.4226 8.5442 9.0417 9.1617 9.5855 9.6221 10.6671 10.6894 10.6974 10.7367 11.1660 11.2282 11.7635 11.8702 11.9515 11.9626 16.5625 16.7371 k = 0.5000-0.0000 0.6124 ( 4888 PWs) bands (ev): -67.0586 -67.0586 -36.8512 -36.8507 -35.6513 -35.6506 -35.6505 -35.6504 1.2203 1.2799 5.6261 5.7990 5.8163 5.8917 6.9749 7.1957 7.7029 7.8972 8.1470 8.3844 8.4051 8.5432 9.0452 9.1572 9.5868 9.6194 10.6669 10.6927 10.6934 10.7358 11.1662 11.2284 11.7626 11.8692 11.9514 11.9618 16.5803 16.7650 k = 0.5000-0.0000 0.6124 ( 4888 PWs) bands (ev): -67.0586 -67.0586 -36.8512 -36.8507 -35.6513 -35.6506 -35.6505 -35.6504 1.2203 1.2799 5.6261 5.7990 5.8163 5.8917 6.9749 7.1957 7.7029 7.8972 8.1470 8.3844 8.4051 8.5432 9.0452 9.1572 9.5868 9.6194 10.6669 10.6927 10.6934 10.7358 11.1662 11.2284 11.7626 11.8692 11.9514 11.9618 16.5803 16.7650 k = 0.5000 0.0080 0.6010 ( 4888 PWs) bands (ev): -67.0586 -67.0586 -36.8512 -36.8507 -35.6513 -35.6506 -35.6505 -35.6504 1.2194 1.2789 5.6265 5.7997 5.8167 5.8924 6.9745 7.1959 7.7006 7.8871 8.1533 8.3598 8.4331 8.5456 9.0387 9.1651 9.5842 9.6240 10.6665 10.6877 10.6983 10.7368 11.1659 11.2279 11.7644 11.8713 11.9520 11.9637 16.5731 16.7540 k = 0.5000 0.0160 0.5897 ( 4872 PWs) bands (ev): -67.0570 -67.0570 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6503 1.2166 1.2760 5.6278 5.8020 5.8179 5.8950 6.9734 7.1965 7.6937 7.8609 8.1694 8.3311 8.4715 8.5529 9.0240 9.1849 9.5797 9.6356 10.6696 10.6877 10.7079 10.7450 11.1701 11.2313 11.7715 11.8789 11.9607 11.9751 16.5527 16.7228 k = 0.5000 0.0241 0.5784 ( 4872 PWs) bands (ev): -67.0570 -67.0570 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6503 1.2119 1.2711 5.6293 5.8058 5.8192 5.8997 6.9712 7.1973 7.6805 7.8262 8.1890 8.3063 8.5099 8.5658 9.0064 9.2105 9.5760 9.6493 10.6661 10.6815 10.7126 10.7490 11.1667 11.2268 11.7810 11.8893 11.9684 11.9859 16.5190 16.6729 k = 0.5000 0.0321 0.5670 ( 4864 PWs) bands (ev): -67.0562 -67.0562 -36.8511 -36.8506 -35.6512 -35.6505 -35.6504 -35.6503 1.2055 1.2643 5.6310 5.8100 5.8209 5.9075 6.9680 7.1986 7.6591 7.7907 8.2082 8.2864 8.5421 8.5875 8.9906 9.2389 9.5747 9.6643 10.6656 10.6789 10.7198 10.7553 11.1680 11.2264 11.7950 11.9041 11.9794 11.9997 16.4745 16.6090 k = 0.5000 0.0401 0.5557 ( 4856 PWs) bands (ev): -67.0554 -67.0554 -36.8511 -36.8506 -35.6512 -35.6505 -35.6504 -35.6502 1.1973 1.2557 5.6324 5.8110 5.8266 5.9188 6.9637 7.2003 7.6275 7.7599 8.2241 8.2727 8.5637 8.6186 8.9797 9.2687 9.5765 9.6804 10.6633 10.6773 10.7274 10.7642 11.1667 11.2233 11.8145 11.9232 11.9938 12.0153 16.4213 16.5348 k = 0.5000 0.0481 0.5443 ( 4862 PWs) bands (ev): -67.0561 -67.0561 -36.8511 -36.8506 -35.6512 -35.6505 -35.6504 -35.6502 1.1876 1.2454 5.6330 5.8074 5.8374 5.9337 6.9578 7.2025 7.5864 7.7352 8.2330 8.2685 8.5786 8.6506 8.9763 9.2986 9.5807 9.6949 10.6573 10.6735 10.7298 10.7678 11.1616 11.2159 11.8354 11.9414 12.0092 12.0291 16.3606 16.4530 k = 0.5000 0.0561 0.5330 ( 4858 PWs) bands (ev): -67.0557 -67.0557 -36.8511 -36.8506 -35.6512 -35.6505 -35.6504 -35.6502 1.1763 1.2335 5.6327 5.8010 5.8519 5.9521 6.9505 7.2051 7.5394 7.7156 8.2341 8.2753 8.5899 8.6763 8.9842 9.3288 9.5885 9.7101 10.6521 10.6716 10.7355 10.7757 11.1573 11.2095 11.8630 11.9624 12.0354 12.0506 16.2947 16.3668 k = 0.5000 0.0642 0.5217 ( 4868 PWs) bands (ev): -67.0567 -67.0567 -36.8511 -36.8506 -35.6512 -35.6505 -35.6504 -35.6502 1.1636 1.2201 5.6311 5.7923 5.8696 5.9734 6.9415 7.2079 7.4899 7.6989 8.2331 8.2869 8.5978 8.6924 9.0040 9.3582 9.5979 9.7227 10.6439 10.6673 10.7368 10.7784 11.1484 11.1980 11.8917 11.9799 12.0619 12.0761 16.2240 16.2772 k = 0.5000 0.0722 0.5103 ( 4870 PWs) bands (ev): -67.0569 -67.0569 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1497 1.2053 5.6282 5.7819 5.8903 5.9975 6.9310 7.2105 7.4407 7.6843 8.2343 8.2998 8.6025 8.7000 9.0350 9.3872 9.6101 9.7348 10.6374 10.6648 10.7406 10.7840 11.1405 11.1878 11.9261 12.0003 12.0897 12.1162 16.1505 16.1865 k = 0.5000 0.0802 0.4990 ( 4872 PWs) bands (ev): -67.0571 -67.0571 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1347 1.1893 5.6240 5.7698 5.9137 6.0237 6.9192 7.2118 7.3942 7.6712 8.2384 8.3131 8.6036 8.7018 9.0737 9.4154 9.6240 9.7456 10.6307 10.6624 10.7436 10.7882 11.1314 11.1766 11.9658 12.0235 12.1197 12.1656 16.0744 16.0958 k = 0.5000 0.0882 0.4876 ( 4868 PWs) bands (ev): -67.0567 -67.0567 -36.8511 -36.8506 -35.6512 -35.6506 -35.6503 -35.6502 1.1187 1.1723 5.6185 5.7564 5.9394 6.0517 6.9061 7.2096 7.3537 7.6594 8.2455 8.3267 8.6009 8.7009 9.1171 9.4432 9.6398 9.7565 10.6266 10.6623 10.7475 10.7938 11.1222 11.1653 12.0109 12.0497 12.1541 12.2248 15.9940 16.0077 k = 0.5000 0.0962 0.4763 ( 4864 PWs) bands (ev): -67.0563 -67.0563 -36.8510 -36.8506 -35.6512 -35.6506 -35.6503 -35.6501 1.1020 1.1544 5.6117 5.7417 5.9673 6.0810 6.8922 7.1994 7.3239 7.6490 8.2552 8.3407 8.5950 8.6996 9.1623 9.4691 9.6555 9.7639 10.6230 10.6634 10.7505 10.7974 11.1140 11.1552 12.0558 12.0820 12.1944 12.2890 15.9073 15.9259 k = 0.5000 0.1042 0.4649 ( 4866 PWs) bands (ev): -67.0566 -67.0565 -36.8510 -36.8506 -35.6512 -35.6506 -35.6502 -35.6501 1.0846 1.1357 5.6038 5.7260 5.9967 6.1113 6.8778 7.1780 7.3085 7.6398 8.2673 8.3551 8.5863 8.6984 9.2079 9.4937 9.6714 9.7699 10.6168 10.6612 10.7518 10.7997 11.1003 11.1400 12.0965 12.1225 12.2416 12.3595 15.8173 15.8464 k = 0.5000 0.1123 0.4536 ( 4866 PWs) bands (ev): -67.0566 -67.0566 -36.8510 -36.8506 -35.6512 -35.6506 -35.6502 -35.6501 1.0668 1.1165 5.5948 5.7092 6.0274 6.1420 6.8633 7.1477 7.3054 7.6318 8.2811 8.3701 8.5759 8.6981 9.2525 9.5166 9.6869 9.7748 10.6121 10.6607 10.7531 10.8018 11.0871 11.1257 12.1338 12.1713 12.2939 12.4358 15.7280 15.7679 k = 0.5000 0.1203 0.4423 ( 4860 PWs) bands (ev): -67.0560 -67.0560 -36.8510 -36.8506 -35.6511 -35.6506 -35.6502 -35.6501 1.0486 1.0969 5.5848 5.6916 6.0591 6.1728 6.8493 7.1137 7.3094 7.6250 8.2968 8.3859 8.5647 8.6988 9.2959 9.5382 9.7017 9.7780 10.6087 10.6617 10.7562 10.8049 11.0734 11.1112 12.1763 12.2262 12.3562 12.5175 15.6396 15.6898 k = 0.5000 0.1283 0.4309 ( 4866 PWs) bands (ev): -67.0566 -67.0566 -36.8510 -36.8506 -35.6511 -35.6506 -35.6502 -35.6501 1.0303 1.0770 5.5739 5.6733 6.0911 6.2030 6.8360 7.0794 7.3172 7.6191 8.3129 8.4025 8.5532 8.6999 9.3363 9.5567 9.7144 9.7790 10.6029 10.6601 10.7552 10.8041 11.0570 11.0945 12.2157 12.2787 12.4219 12.6021 15.5522 15.6119 k = 0.5000 0.1363 0.4196 ( 4874 PWs) bands (ev): -67.0574 -67.0574 -36.8510 -36.8506 -35.6512 -35.6507 -35.6501 -35.6501 1.0119 1.0569 5.5623 5.6545 6.1234 6.2323 6.8242 7.0465 7.3271 7.6140 8.3297 8.4201 8.5418 8.7019 9.3746 9.5739 9.7259 9.7797 10.5961 10.6572 10.7521 10.8011 11.0362 11.0737 12.2607 12.3343 12.4963 12.6913 15.4651 15.5338 k = 0.5000 0.1443 0.4082 ( 4882 PWs) bands (ev): -67.0582 -67.0582 -36.8510 -36.8506 -35.6512 -35.6507 -35.6501 -35.6501 0.9937 1.0369 5.5501 5.6353 6.1553 6.2602 6.8141 7.0158 7.3382 7.6096 8.3464 8.4390 8.5313 8.7049 9.4101 9.5883 9.7344 9.7778 10.5894 10.6547 10.7487 10.7972 11.0166 11.0547 12.3112 12.3925 12.5748 12.7813 15.3800 15.4566 k = 0.5000 0.1524 0.3969 ( 4870 PWs) bands (ev): -67.0570 -67.0570 -36.8510 -36.8506 -35.6511 -35.6507 -35.6501 -35.6500 0.9758 1.0171 5.5375 5.6160 6.1868 6.2863 6.8064 6.9879 7.3502 7.6059 8.3632 8.4592 8.5222 8.7095 9.4445 9.6035 9.7429 9.7790 10.5890 10.6578 10.7487 10.7971 11.0006 11.0392 12.3715 12.4584 12.6636 12.8784 15.2964 15.3801 k = 0.5000 0.1604 0.3856 ( 4868 PWs) bands (ev): -67.0568 -67.0568 -36.8509 -36.8506 -35.6511 -35.6507 -35.6500 -35.6500 0.9583 0.9976 5.5246 5.5966 6.2171 6.3100 6.8010 6.9629 7.3627 7.6026 8.3787 8.4798 8.5150 8.7146 9.4750 9.6155 9.7477 9.7793 10.5859 10.6581 10.7481 10.7964 10.9813 11.0208 12.4307 12.5228 12.7537 12.9754 15.2138 15.3036 k = 0.5000 0.1684 0.3742 ( 4874 PWs) bands (ev): -67.0574 -67.0574 -36.8509 -36.8506 -35.6511 -35.6507 -35.6500 -35.6500 0.9413 0.9786 5.5114 5.5773 6.2459 6.3310 6.7983 6.9409 7.3754 7.5995 8.3929 8.4947 8.5157 8.7205 9.5020 9.6250 9.7487 9.7791 10.5822 10.6575 10.7420 10.7903 10.9606 11.0012 12.4924 12.5885 12.8452 13.0715 15.1317 15.2268 k = 0.5000 0.1764 0.3629 ( 4864 PWs) bands (ev): -67.0564 -67.0564 -36.8509 -36.8506 -35.6511 -35.6507 -35.6500 -35.6499 0.9250 0.9601 5.4983 5.5583 6.2731 6.3492 6.7985 6.9221 7.3883 7.5967 8.4061 8.4941 8.5346 8.7278 9.5277 9.6345 9.7486 9.7806 10.5843 10.6622 10.7405 10.7887 10.9438 10.9853 12.5627 12.6610 12.9410 13.1692 15.0508 15.1500 k = 0.5000 0.1844 0.3515 ( 4864 PWs) bands (ev): -67.0564 -67.0564 -36.8509 -36.8506 -35.6511 -35.6507 -35.6499 -35.6499 0.9095 0.9424 5.4852 5.5397 6.2982 6.3645 6.8013 6.9065 7.4012 7.5939 8.4179 8.4898 8.5589 8.7357 9.5500 9.6416 9.7454 9.7809 10.5828 10.6634 10.7372 10.7851 10.9232 10.9658 12.6355 12.7351 13.0354 13.2635 14.9705 15.0725 k = 0.5000 0.1925 0.3402 ( 4870 PWs) bands (ev): -67.0571 -67.0571 -36.8509 -36.8506 -35.6511 -35.6508 -35.6499 -35.6499 0.8947 0.9254 5.4725 5.5217 6.3209 6.3770 6.8063 6.8938 7.4139 7.5910 8.4284 8.4856 8.5844 8.7442 9.5689 9.6464 9.7404 9.7795 10.5810 10.6640 10.7320 10.7797 10.9012 10.9447 12.7105 12.8102 13.1291 13.3544 14.8901 14.9936 k = 0.5000 0.2005 0.3289 ( 4856 PWs) bands (ev): -67.0557 -67.0557 -36.8508 -36.8506 -35.6510 -35.6507 -35.6499 -35.6499 0.8810 0.9093 5.4603 5.5045 6.3410 6.3870 6.8133 6.8844 7.4266 7.5882 8.4380 8.4824 8.6104 8.7536 9.5870 9.6521 9.7375 9.7787 10.5856 10.6707 10.7325 10.7802 10.8858 10.9302 12.7931 12.8914 13.2248 13.4445 14.8116 14.9149 k = 0.5000 0.2085 0.3175 ( 4852 PWs) bands (ev): -67.0553 -67.0553 -36.8508 -36.8506 -35.6510 -35.6507 -35.6499 -35.6498 0.8683 0.8942 5.4487 5.4881 6.3586 6.3949 6.8218 6.8779 7.4389 7.5852 8.4464 8.4799 8.6361 8.7632 9.6032 9.6571 9.7344 9.7771 10.5867 10.6734 10.7285 10.7763 10.8661 10.9110 12.8789 12.9743 13.3184 13.5297 14.7316 14.8331 k = 0.5000 0.2165 0.3062 ( 4856 PWs) bands (ev): -67.0557 -67.0557 -36.8508 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8567 0.8802 5.4379 5.4727 6.3733 6.4008 6.8309 6.8737 7.4508 7.5819 8.4536 8.4782 8.6612 8.7727 9.6162 9.6591 9.7287 9.7729 10.5866 10.6749 10.7236 10.7717 10.8460 10.8908 12.9668 13.0582 13.4054 13.6060 14.6513 14.7493 k = 0.5000 0.2245 0.2948 ( 4858 PWs) bands (ev): -67.0559 -67.0559 -36.8508 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8463 0.8673 5.4280 5.4584 6.3855 6.4053 6.8403 6.8719 7.4624 7.5784 8.4598 8.4771 8.6854 8.7820 9.6276 9.6603 9.7229 9.7679 10.5884 10.6770 10.7195 10.7679 10.8284 10.8723 13.0584 13.1445 13.4880 13.6749 14.5705 14.6631 k = 0.5000 0.2325 0.2835 ( 4858 PWs) bands (ev): -67.0560 -67.0560 -36.8508 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8371 0.8555 5.4191 5.4453 6.3952 6.4088 6.8496 6.8719 7.4736 7.5746 8.4650 8.4767 8.7083 8.7907 9.6375 9.6622 9.7190 9.7624 10.5914 10.6793 10.7155 10.7640 10.8122 10.8543 13.1531 13.2326 13.5671 13.7376 14.4889 14.5744 k = 0.5000 0.2406 0.2722 ( 4862 PWs) bands (ev): -67.0564 -67.0564 -36.8508 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8292 0.8451 5.4114 5.4336 6.4027 6.4114 6.8582 6.8733 7.4842 7.5705 8.4694 8.4768 8.7294 8.7985 9.6455 9.6628 9.7146 9.7557 10.5938 10.6782 10.7129 10.7609 10.7971 10.8357 13.2498 13.3214 13.6386 13.7901 14.4060 14.4825 k = 0.5000 0.2486 0.2608 ( 4858 PWs) bands (ev): -67.0560 -67.0560 -36.8507 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8227 0.8360 5.4050 5.4233 6.4084 6.4134 6.8658 6.8756 7.4944 7.5660 8.4729 8.4772 8.7487 8.8051 9.6525 9.6641 9.7122 9.7491 10.6000 10.6778 10.7143 10.7594 10.7867 10.8211 13.3497 13.4124 13.7044 13.8345 14.3229 14.3889 k = 0.5000 0.2566 0.2495 ( 4854 PWs) bands (ev): -67.0556 -67.0556 -36.8507 -36.8506 -35.6509 -35.6508 -35.6498 -35.6498 0.8175 0.8282 5.3999 5.4144 6.4124 6.4150 6.8724 6.8783 7.5040 7.5611 8.4756 8.4778 8.7658 8.8101 9.6592 9.6658 9.7109 9.7431 10.6068 10.6731 10.7190 10.7579 10.7779 10.8064 13.4523 13.5046 13.7621 13.8684 14.2387 14.2928 k = 0.5000 0.2646 0.2381 ( 4854 PWs) bands (ev): -67.0556 -67.0556 -36.8507 -36.8506 -35.6509 -35.6508 -35.6498 -35.6498 0.8138 0.8218 5.3963 5.4071 6.4151 6.4162 6.8776 6.8809 7.5130 7.5557 8.4776 8.4785 8.7805 8.8132 9.6636 9.6667 9.7103 9.7363 10.6134 10.6657 10.7250 10.7567 10.7704 10.7916 13.5550 13.5963 13.8101 13.8907 14.1536 14.1945 k = 0.5000 0.2726 0.2268 ( 4866 PWs) bands (ev): -67.0568 -67.0568 -36.8507 -36.8506 -35.6509 -35.6509 -35.6498 -35.6498 0.8115 0.8168 5.3941 5.4013 6.4167 6.4171 6.8811 6.8828 7.5215 7.5499 8.4788 8.4791 8.7925 8.8141 9.6636 9.6650 9.7094 9.7273 10.6180 10.6548 10.7291 10.7548 10.7628 10.7740 13.6552 13.6854 13.8458 13.8995 14.0674 14.0939 k = 0.5000 0.2807 0.2155 ( 4852 PWs) bands (ev): -67.0554 -67.0554 -36.8507 -36.8506 -35.6509 -35.6508 -35.6498 -35.6498 0.8106 0.8133 5.3936 5.3972 6.4177 6.4177 6.8836 6.8843 7.5294 7.5436 8.4796 8.4796 8.8020 8.8127 9.6669 9.6670 9.7132 9.7228 10.6303 10.6483 10.7444 10.7586 10.7642 10.7681 13.7564 13.7765 13.8687 13.8955 13.9914 14.0022 k = 0.5000 0.2887 0.2041 ( 4850 PWs) bands (ev): -67.0552 -67.0552 -36.8506 -36.8506 -35.6509 -35.6509 -35.6498 -35.6498 0.8113 0.8113 5.3946 5.3946 6.4179 6.4179 6.8846 6.8846 7.5368 7.5368 8.4798 8.4798 8.8087 8.8087 9.6678 9.6678 9.7180 9.7180 10.6395 10.6395 10.7544 10.7544 10.7624 10.7624 13.8396 13.8396 13.8599 13.8599 13.9533 13.9533 k = 0.5000 0.2887 0.2041 ( 4850 PWs) bands (ev): -67.0552 -67.0552 -36.8506 -36.8506 -35.6509 -35.6509 -35.6498 -35.6498 0.8113 0.8113 5.3946 5.3946 6.4179 6.4179 6.8846 6.8846 7.5368 7.5368 8.4798 8.4798 8.8087 8.8087 9.6678 9.6678 9.7180 9.7180 10.6395 10.6395 10.7544 10.7544 10.7624 10.7624 13.8396 13.8396 13.8599 13.8599 13.9533 13.9533 k = 0.4961 0.2864 0.2169 ( 4852 PWs) bands (ev): -67.0554 -67.0554 -36.8507 -36.8506 -35.6509 -35.6508 -35.6498 -35.6498 0.8106 0.8133 5.3936 5.3971 6.4177 6.4177 6.8836 6.8843 7.5296 7.5434 8.4796 8.4796 8.8022 8.8126 9.6668 9.6670 9.7134 9.7225 10.6305 10.6481 10.7447 10.7586 10.7642 10.7679 13.7594 13.7772 13.8736 13.8912 13.9946 13.9954 k = 0.4922 0.2842 0.2296 ( 4862 PWs) bands (ev): -67.0564 -67.0564 -36.8507 -36.8506 -35.6509 -35.6509 -35.6498 -35.6498 0.8114 0.8166 5.3941 5.4010 6.4169 6.4171 6.8813 6.8829 7.5219 7.5496 8.4790 8.4790 8.7931 8.8141 9.6643 9.6653 9.7096 9.7275 10.6195 10.6552 10.7311 10.7567 10.7645 10.7746 13.6647 13.6853 13.8619 13.8843 14.0773 14.0780 k = 0.4883 0.2819 0.2424 ( 4863 PWs) bands (ev): -67.0565 -67.0565 -36.8507 -36.8506 -35.6509 -35.6509 -35.6498 -35.6498 0.8136 0.8214 5.3960 5.4066 6.4154 6.4161 6.8778 6.8809 7.5137 7.5553 8.4780 8.4782 8.7815 8.8133 9.6625 9.6643 9.7079 9.7344 10.6121 10.6632 10.7237 10.7547 10.7681 10.7883 13.5686 13.5925 13.8354 13.8645 14.1657 14.1696 k = 0.4844 0.2797 0.2552 ( 4861 PWs) bands (ev): -67.0563 -67.0563 -36.8507 -36.8506 -35.6509 -35.6508 -35.6498 -35.6498 0.8171 0.8275 5.3994 5.4136 6.4131 6.4147 6.8731 6.8783 7.5049 7.5605 8.4766 8.4770 8.7674 8.8105 9.6588 9.6644 9.7093 9.7414 10.6065 10.6703 10.7188 10.7537 10.7752 10.8043 13.4709 13.4983 13.8014 13.8377 14.2526 14.2607 k = 0.4805 0.2774 0.2679 ( 4864 PWs) bands (ev): -67.0566 -67.0566 -36.8507 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8219 0.8349 5.4042 5.4220 6.4097 6.4129 6.8670 6.8755 7.4956 7.5653 8.4749 8.4756 8.7510 8.8058 9.6527 9.6636 9.7114 9.7476 10.6000 10.6751 10.7132 10.7534 10.7833 10.8188 13.3726 13.4034 13.7586 13.8016 14.3366 14.3492 k = 0.4766 0.2751 0.2807 ( 4859 PWs) bands (ev): -67.0561 -67.0561 -36.8507 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8281 0.8436 5.4103 5.4319 6.4051 6.4105 6.8601 6.8728 7.4858 7.5698 8.4728 8.4740 8.7326 8.7996 9.6467 9.6637 9.7154 9.7547 10.5964 10.6794 10.7129 10.7573 10.7957 10.8353 13.2766 13.3107 13.7094 13.7589 14.4176 14.4351 k = 0.4727 0.2729 0.2934 ( 4861 PWs) bands (ev): -67.0563 -67.0563 -36.8508 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8355 0.8535 5.4175 5.4430 6.3991 6.4074 6.8523 6.8707 7.4755 7.5738 8.4705 8.4721 8.7122 8.7921 9.6397 9.6630 9.7191 9.7616 10.5909 10.6767 10.7139 10.7589 10.8084 10.8509 13.1811 13.2182 13.6531 13.7085 14.4926 14.5157 k = 0.4688 0.2706 0.3062 ( 4865 PWs) bands (ev): -67.0566 -67.0566 -36.8508 -36.8506 -35.6510 -35.6508 -35.6498 -35.6498 0.8442 0.8647 5.4258 5.4554 6.3913 6.4034 6.8439 6.8694 7.4647 7.5774 8.4679 8.4701 8.6901 8.7837 9.6294 9.6610 9.7224 9.7662 10.5871 10.6741 10.7162 10.7608 10.8230 10.8677 13.0857 13.1257 13.5911 13.6518 14.5621 14.5910 k = 0.4648 0.2684 0.3189 ( 4865 PWs) bands (ev): -67.0566 -67.0566 -36.8508 -36.8506 -35.6510 -35.6508 -35.6499 -35.6499 0.8541 0.8770 5.4351 5.4688 6.3818 6.3985 6.8354 6.8695 7.4535 7.5807 8.4652 8.4679 8.6668 8.7746 9.6183 9.6597 9.7271 9.7706 10.5851 10.6717 10.7200 10.7641 10.8400 10.8858 12.9927 13.0353 13.5263 13.5917 14.6248 14.6598 k = 0.4609 0.2661 0.3317 ( 4863 PWs) bands (ev): -67.0564 -67.0564 -36.8508 -36.8506 -35.6510 -35.6508 -35.6499 -35.6499 0.8652 0.8904 5.4451 5.4832 6.3706 6.3923 6.8271 6.8711 7.4418 7.5836 8.4624 8.4655 8.6425 8.7654 9.6065 9.6582 9.7316 9.7749 10.5844 10.6695 10.7241 10.7676 10.8586 10.9048 12.9033 12.9480 13.4579 13.5274 14.6798 14.7212 k = 0.4570 0.2639 0.3445 ( 4858 PWs) bands (ev): -67.0559 -67.0559 -36.8508 -36.8506 -35.6510 -35.6507 -35.6499 -35.6499 0.8773 0.9049 5.4557 5.4984 6.3575 6.3848 6.8194 6.8744 7.4298 7.5861 8.4596 8.4630 8.6177 8.7562 9.5924 9.6566 9.7370 9.7780 10.5855 10.6690 10.7289 10.7725 10.8794 10.9254 12.8163 12.8627 13.3881 13.4610 14.7261 14.7740 k = 0.4531 0.2616 0.3572 ( 4863 PWs) bands (ev): -67.0564 -67.0564 -36.8509 -36.8506 -35.6511 -35.6507 -35.6499 -35.6499 0.8904 0.9203 5.4665 5.5141 6.3429 6.3759 6.8125 6.8797 7.4175 7.5882 8.4565 8.4602 8.5926 8.7471 9.5748 9.6528 9.7406 9.7785 10.5835 10.6651 10.7331 10.7768 10.8976 10.9433 12.7293 12.7772 13.3148 13.3906 14.7638 14.8179 k = 0.4492 0.2594 0.3700 ( 4859 PWs) bands (ev): -67.0560 -67.0560 -36.8509 -36.8506 -35.6511 -35.6507 -35.6499 -35.6499 0.9044 0.9365 5.4773 5.5299 6.3271 6.3657 6.8070 6.8870 7.4049 7.5898 8.4531 8.4573 8.5681 8.7386 9.5562 9.6501 9.7462 9.7792 10.5849 10.6640 10.7380 10.7820 10.9184 10.9634 12.6474 12.6960 13.2431 13.3212 14.7927 14.8525 k = 0.4453 0.2571 0.3827 ( 4862 PWs) bands (ev): -67.0563 -67.0563 -36.8509 -36.8506 -35.6511 -35.6507 -35.6500 -35.6499 0.9193 0.9535 5.4876 5.5455 6.3105 6.3544 6.8030 6.8963 7.3921 7.5910 8.4488 8.4541 8.5450 8.7309 9.5351 9.6455 9.7500 9.7782 10.5839 10.6602 10.7424 10.7869 10.9367 10.9808 12.5682 12.6171 13.1692 13.2491 14.8134 14.8782 k = 0.4414 0.2548 0.3955 ( 4865 PWs) bands (ev): -67.0565 -67.0565 -36.8509 -36.8506 -35.6511 -35.6507 -35.6500 -35.6500 0.9349 0.9712 5.4972 5.5605 6.2937 6.3424 6.8007 6.9075 7.3792 7.5915 8.4423 8.4507 8.5252 8.7240 9.5114 9.6390 9.7522 9.7754 10.5856 10.6593 10.7449 10.7900 10.9566 11.0000 12.4930 12.5417 13.0938 13.1751 14.8272 14.8961 k = 0.4375 0.2526 0.4082 ( 4858 PWs) bands (ev): -67.0558 -67.0558 -36.8509 -36.8506 -35.6511 -35.6507 -35.6500 -35.6499 0.9512 0.9894 5.5054 5.5743 6.2773 6.3303 6.8002 6.9208 7.3661 7.5916 8.4322 8.4471 8.5105 8.7185 9.4861 9.6335 9.7569 9.7732 10.5882 10.6592 10.7509 10.7968 10.9765 11.0193 12.4246 12.4725 13.0229 13.1049 14.8351 14.9070 k = 0.4336 0.2503 0.4210 ( 4863 PWs) bands (ev): -67.0563 -67.0563 -36.8509 -36.8506 -35.6511 -35.6507 -35.6500 -35.6500 0.9679 1.0081 5.5118 5.5863 6.2621 6.3188 6.8014 6.9355 7.3530 7.5909 8.4172 8.4432 8.5024 8.7139 9.4573 9.6247 9.7580 9.7683 10.5888 10.6567 10.7538 10.8004 10.9937 11.0360 12.3580 12.4047 12.9492 13.0316 14.8381 14.9122 k = 0.4297 0.2481 0.4338 ( 4871 PWs) bands (ev): -67.0571 -67.0571 -36.8510 -36.8506 -35.6511 -35.6507 -35.6501 -35.6500 0.9851 1.0270 5.5157 5.5957 6.2487 6.3087 6.8041 6.9519 7.3400 7.5896 8.3982 8.4391 8.5004 8.7103 9.4256 9.6141 9.7579 9.7618 10.5900 10.6550 10.7540 10.8014 11.0114 11.0534 12.2939 12.3392 12.8761 12.9584 14.8375 14.9129 k = 0.4258 0.2458 0.4465 ( 4864 PWs) bands (ev): -67.0564 -67.0564 -36.8510 -36.8506 -35.6511 -35.6506 -35.6501 -35.6500 1.0026 1.0462 5.5168 5.6020 6.2381 6.3012 6.8086 6.9698 7.3271 7.5876 8.3776 8.4350 8.5031 8.7082 9.3921 9.6036 9.7558 9.7592 10.5953 10.6572 10.7594 10.8077 11.0312 11.0730 12.2385 12.2818 12.8077 12.8895 14.8349 14.9108 k = 0.4219 0.2436 0.4593 ( 4868 PWs) bands (ev): -67.0568 -67.0568 -36.8510 -36.8506 -35.6511 -35.6506 -35.6502 -35.6501 1.0203 1.0654 5.5142 5.6041 6.2308 6.2972 6.8143 6.9888 7.3145 7.5849 8.3562 8.4308 8.5092 8.7067 9.3562 9.5911 9.7482 9.7582 10.5972 10.6562 10.7615 10.8104 11.0451 11.0871 12.1873 12.2285 12.7394 12.8203 14.8292 14.9051 k = 0.4180 0.2413 0.4720 ( 4865 PWs) bands (ev): -67.0565 -67.0565 -36.8510 -36.8506 -35.6511 -35.6506 -35.6502 -35.6501 1.0379 1.0844 5.5079 5.6016 6.2275 6.2975 6.8213 7.0091 7.3021 7.5814 8.3352 8.4267 8.5183 8.7062 9.3180 9.5782 9.7409 9.7582 10.6012 10.6569 10.7657 10.8151 11.0596 11.1018 12.1415 12.1802 12.6760 12.7555 14.8225 14.8979 k = 0.4141 0.2391 0.4848 ( 4859 PWs) bands (ev): -67.0559 -67.0559 -36.8510 -36.8506 -35.6511 -35.6506 -35.6502 -35.6501 1.0553 1.1031 5.4976 5.5942 6.2284 6.3029 6.8294 7.0304 7.2902 7.5772 8.3151 8.4227 8.5301 8.7061 9.2776 9.5646 9.7336 9.7585 10.6056 10.6583 10.7714 10.8212 11.0733 11.1161 12.0997 12.1359 12.6172 12.6949 14.8149 14.8895 k = 0.4102 0.2368 0.4976 ( 4857 PWs) bands (ev): -67.0557 -67.0557 -36.8510 -36.8506 -35.6511 -35.6506 -35.6502 -35.6501 1.0725 1.1214 5.4833 5.5818 6.2337 6.3135 6.8383 7.0524 7.2788 7.5724 8.2961 8.4188 8.5445 8.7061 9.2354 9.5500 9.7248 9.7561 10.6107 10.6604 10.7748 10.8250 11.0849 11.1284 12.0630 12.0966 12.5588 12.6346 14.8070 14.8805 k = 0.4062 0.2345 0.5103 ( 4851 PWs) bands (ev): -67.0551 -67.0551 -36.8510 -36.8506 -35.6511 -35.6505 -35.6502 -35.6501 1.0892 1.1391 5.4653 5.5647 6.2433 6.3293 6.8480 7.0751 7.2679 7.5670 8.2786 8.4152 8.5614 8.7059 9.1917 9.5357 9.7163 9.7539 10.6156 10.6622 10.7810 10.8312 11.0951 11.1396 12.0313 12.0624 12.5057 12.5791 14.7991 14.8714 k = 0.4023 0.2323 0.5231 ( 4857 PWs) bands (ev): -67.0557 -67.0557 -36.8510 -36.8506 -35.6512 -35.6506 -35.6502 -35.6501 1.1052 1.1559 5.4440 5.5432 6.2569 6.3501 6.8582 7.0979 7.2577 7.5610 8.2627 8.4117 8.5805 8.7046 9.1463 9.5210 9.7051 9.7478 10.6197 10.6635 10.7828 10.8329 11.1021 11.1478 12.0011 12.0297 12.4511 12.5223 14.7910 14.8620 k = 0.3984 0.2300 0.5358 ( 4857 PWs) bands (ev): -67.0557 -67.0557 -36.8510 -36.8506 -35.6512 -35.6506 -35.6503 -35.6501 1.1203 1.1717 5.4200 5.5182 6.2740 6.3754 6.8689 7.1212 7.2484 7.5547 8.2487 8.4084 8.6020 8.7025 9.1005 9.5081 9.6940 9.7413 10.6253 10.6661 10.7874 10.8373 11.1080 11.1548 11.9777 12.0039 12.4010 12.4696 14.7835 14.8531 k = 0.3945 0.2278 0.5486 ( 4859 PWs) bands (ev): -67.0559 -67.0559 -36.8510 -36.8506 -35.6512 -35.6506 -35.6503 -35.6501 1.1345 1.1863 5.3939 5.4904 6.2941 6.4045 6.8801 7.1444 7.2398 7.5481 8.2366 8.4052 8.6259 8.6988 9.0542 9.4971 9.6824 9.7335 10.6300 10.6681 10.7923 10.8418 11.1110 11.1593 11.9582 11.9821 12.3540 12.4199 14.7763 14.8446 k = 0.3906 0.2255 0.5613 ( 4865 PWs) bands (ev): -67.0565 -67.0565 -36.8511 -36.8506 -35.6512 -35.6506 -35.6503 -35.6502 1.1474 1.1994 5.3663 5.4605 6.3169 6.4368 6.8918 7.1674 7.2322 7.5416 8.2264 8.4022 8.6517 8.6932 9.0079 9.4885 9.6703 9.7246 10.6340 10.6695 10.7955 10.8443 11.1117 11.1616 11.9415 11.9635 12.3097 12.3730 14.7696 14.8365 k = 0.3867 0.2233 0.5741 ( 4869 PWs) bands (ev): -67.0569 -67.0569 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1589 1.2110 5.3378 5.4293 6.3416 6.4716 6.9040 7.1899 7.2256 7.5353 8.2184 8.3993 8.6793 8.6854 8.9623 9.4831 9.6586 9.7155 10.6366 10.6698 10.8022 10.8502 11.1087 11.1604 11.9306 11.9506 12.2701 12.3306 14.7631 14.8288 k = 0.3828 0.2210 0.5869 ( 4867 PWs) bands (ev): -67.0567 -67.0567 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1689 1.2208 5.3090 5.3975 6.3679 6.5081 6.9170 7.2117 7.2201 7.5296 8.2126 8.3963 8.6752 8.7077 8.9187 9.4810 9.6476 9.7061 10.6427 10.6738 10.8108 10.8578 11.1074 11.1607 11.9222 11.9405 12.2350 12.2927 14.7573 14.8219 k = 0.3789 0.2188 0.5996 ( 4868 PWs) bands (ev): -67.0568 -67.0568 -36.8511 -36.8506 -35.6512 -35.6506 -35.6504 -35.6502 1.1771 1.2287 5.2804 5.3655 6.3952 6.5454 6.9308 7.2159 7.2321 7.5248 8.2089 8.3930 8.6627 8.7343 8.8796 9.4823 9.6364 9.6952 10.6495 10.6787 10.8177 10.8635 11.1051 11.1599 11.9171 11.9337 12.2013 12.2564 14.7521 14.8156 k = 0.3750 0.2165 0.6124 ( 4882 PWs) bands (ev): -67.0582 -67.0582 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6502 1.1833 1.2343 5.2524 5.3339 6.4229 6.5827 6.9458 7.2129 7.2506 7.5214 8.2073 8.3887 8.6476 8.7500 8.8537 9.4863 9.6257 9.6826 10.6538 10.6814 10.8225 10.8671 11.0984 11.1545 11.9097 11.9249 12.1675 12.2203 14.7462 14.8088 k = 0.6250-0.0722 0.4082 ( 4882 PWs) bands (ev): -67.0582 -67.0582 -36.8511 -36.8507 -35.6512 -35.6506 -35.6504 -35.6502 1.1833 1.2343 5.2524 5.3339 6.4229 6.5827 6.9458 7.2129 7.2506 7.5214 8.2073 8.3887 8.6476 8.7500 8.8537 9.4863 9.6257 9.6826 10.6538 10.6814 10.8225 10.8671 11.0984 11.1545 11.9097 11.9249 12.1675 12.2203 14.7462 14.8088 k = 0.6181-0.0842 0.4082 ( 4872 PWs) bands (ev): -67.0572 -67.0572 -36.8511 -36.8507 -35.6512 -35.6506 -35.6503 -35.6502 1.1920 1.2417 5.2044 5.2797 6.4727 6.6479 6.9752 7.2096 7.2822 7.5171 8.2077 8.3809 8.6191 8.7472 8.8430 9.4971 9.6116 9.6648 10.6702 10.6956 10.8425 10.8845 11.0955 11.1537 11.9084 11.9209 12.1211 12.1692 14.7374 14.7982 k = 0.6111-0.0962 0.4082 ( 4878 PWs) bands (ev): -67.0578 -67.0578 -36.8511 -36.8507 -35.6512 -35.6507 -35.6504 -35.6502 1.1996 1.2477 5.1582 5.2276 6.5218 6.7104 7.0079 7.2075 7.3136 7.5131 8.2096 8.3719 8.5887 8.7211 8.8557 9.5059 9.5997 9.6463 10.6818 10.7060 10.8596 10.8991 11.0879 11.1487 11.9049 11.9141 12.0725 12.1153 14.7256 14.7844 k = 0.6042-0.1083 0.4082 ( 4886 PWs) bands (ev): -67.0586 -67.0586 -36.8511 -36.8507 -35.6512 -35.6507 -35.6504 -35.6503 1.2061 1.2525 5.1141 5.1778 6.5698 6.7686 7.0446 7.2069 7.3440 7.5101 8.2129 8.3619 8.5573 8.6847 8.8790 9.5109 9.5922 9.6290 10.6952 10.7188 10.8764 10.9134 11.0821 11.1451 11.8994 11.9040 12.0261 12.0624 14.7112 14.7677 k = 0.5972-0.1203 0.4082 ( 4890 PWs) bands (ev): -67.0590 -67.0590 -36.8511 -36.8507 -35.6512 -35.6508 -35.6504 -35.6503 1.2117 1.2560 5.0723 5.1306 6.6164 6.8215 7.0846 7.2093 7.3718 7.5100 8.2171 8.3510 8.5259 8.6456 8.9067 9.5114 9.5903 9.6141 10.7088 10.7328 10.8957 10.9303 11.0760 11.1412 11.8931 11.8950 11.9875 12.0150 14.6946 14.7482 k = 0.5903-0.1323 0.4082 ( 4874 PWs) bands (ev): -67.0575 -67.0575 -36.8510 -36.8507 -35.6512 -35.6507 -35.6503 -35.6502 1.2166 1.2587 5.0329 5.0862 6.6615 6.8684 7.1238 7.2191 7.3937 7.5157 8.2224 8.3390 8.4953 8.6056 8.9369 9.5081 9.5933 9.6015 10.7304 10.7556 10.9209 10.9530 11.0787 11.1457 11.8813 11.8932 11.9589 11.9741 14.6757 14.7258 k = 0.5833-0.1443 0.4082 ( 4870 PWs) bands (ev): -67.0571 -67.0571 -36.8510 -36.8507 -35.6512 -35.6508 -35.6503 -35.6502 1.2208 1.2604 4.9961 5.0445 6.7046 6.9092 7.1513 7.2461 7.4062 7.5300 8.2279 8.3241 8.4662 8.5653 8.9688 9.5010 9.5888 9.5982 10.7504 10.7780 10.9399 10.9698 11.0795 11.1484 11.8602 11.8884 11.9331 11.9362 14.6528 14.6986 k = 0.5764-0.1564 0.4082 ( 4866 PWs) bands (ev): -67.0567 -67.0567 -36.8510 -36.8507 -35.6511 -35.6508 -35.6502 -35.6502 1.2245 1.2614 4.9619 5.0056 6.7457 6.9451 7.1624 7.2936 7.4087 7.5536 8.2332 8.3062 8.4398 8.5253 9.0023 9.4925 9.5775 9.6035 10.7707 10.8016 10.9589 10.9868 11.0807 11.1511 11.8327 11.8727 11.9059 11.9230 14.6260 14.6665 k = 0.5694-0.1684 0.4082 ( 4870 PWs) bands (ev): -67.0571 -67.0571 -36.8510 -36.8507 -35.6512 -35.6508 -35.6502 -35.6502 1.2276 1.2617 4.9306 4.9698 6.7847 6.9772 7.1647 7.3522 7.4038 7.5836 8.2371 8.2843 8.4171 8.4860 9.0369 9.4833 9.5671 9.6076 10.7881 10.8234 10.9762 11.0022 11.0787 11.1507 11.8008 11.8387 11.8968 11.9140 14.5946 14.6291 k = 0.5625-0.1804 0.4082 ( 4878 PWs) bands (ev): -67.0580 -67.0579 -36.8510 -36.8508 -35.6512 -35.6509 -35.6503 -35.6502 1.2303 1.2615 4.9021 4.9369 6.8215 7.0064 7.1633 7.3943 7.4155 7.6171 8.2388 8.2582 8.3985 8.4480 9.0727 9.4740 9.5578 9.6098 10.8048 10.8449 10.9931 11.0178 11.0762 11.1492 11.7667 11.7998 11.8917 11.9063 14.5592 14.5870 k = 0.5556-0.1925 0.4082 ( 4870 PWs) bands (ev): -67.0572 -67.0572 -36.8510 -36.8508 -35.6511 -35.6509 -35.6502 -35.6502 1.2328 1.2608 4.8766 4.9073 6.8563 7.0336 7.1599 7.3819 7.4808 7.6528 8.2294 8.2371 8.3838 8.4133 9.1095 9.4652 9.5509 9.6103 10.8258 10.8706 11.0125 11.0365 11.0795 11.1518 11.7412 11.7695 11.8909 11.9031 14.5211 14.5417 k = 0.5486-0.2045 0.4082 ( 4870 PWs) bands (ev): -67.0572 -67.0572 -36.8510 -36.8508 -35.6511 -35.6509 -35.6502 -35.6502 1.2350 1.2598 4.8542 4.8808 6.8890 7.0588 7.1552 7.3672 7.5464 7.6892 8.1975 8.2294 8.3720 8.3829 9.1467 9.4562 9.5447 9.6083 10.8455 10.8944 11.0276 11.0517 11.0829 11.1526 11.7134 11.7372 11.8894 11.8993 14.4802 14.4939 k = 0.5417-0.2165 0.4082 ( 4856 PWs) bands (ev): -67.0558 -67.0558 -36.8509 -36.8508 -35.6511 -35.6509 -35.6502 -35.6501 1.2370 1.2585 4.8350 4.8576 6.9196 7.0821 7.1501 7.3511 7.6115 7.7263 8.1643 8.2132 8.3602 8.3629 9.1843 9.4476 9.5406 9.6046 10.8689 10.9187 11.0459 11.0701 11.0940 11.1578 11.6940 11.7137 11.8886 11.8966 14.4387 14.4463 k = 0.5347-0.2285 0.4082 ( 4846 PWs) bands (ev): -67.0548 -67.0548 -36.8509 -36.8507 -35.6510 -35.6509 -35.6501 -35.6501 1.2389 1.2570 4.8188 4.8375 6.9483 7.1010 7.1470 7.3337 7.6756 7.7635 8.1298 8.1873 8.3457 8.3556 9.2209 9.4383 9.5378 9.5985 10.8902 10.9392 11.0614 11.0847 11.1034 11.1604 11.6762 11.6919 11.8893 11.8953 14.3978 14.4006 k = 0.5278-0.2406 0.4082 ( 4850 PWs) bands (ev): -67.0552 -67.0552 -36.8509 -36.8508 -35.6510 -35.6509 -35.6501 -35.6501 1.2408 1.2553 4.8058 4.8207 6.9748 7.1089 7.1527 7.3150 7.7376 7.8005 8.0942 8.1524 8.3377 8.3494 9.2557 9.4280 9.5363 9.5899 10.9062 10.9517 11.0742 11.0961 11.1086 11.1571 11.6574 11.6695 11.8860 11.8906 14.3584 14.3590 k = 0.5208-0.2526 0.4082 ( 4854 PWs) bands (ev): -67.0556 -67.0556 -36.8509 -36.8508 -35.6510 -35.6509 -35.6501 -35.6501 1.2426 1.2535 4.7961 4.8072 6.9994 7.1039 7.1692 7.2954 7.7979 7.8375 8.0581 8.1116 8.3340 8.3443 9.2883 9.4164 9.5367 9.5801 10.9210 10.9593 11.0868 11.1045 11.1132 11.1522 11.6404 11.6492 11.8854 11.8887 14.3241 14.3263 k = 0.5139-0.2646 0.4082 ( 4854 PWs) bands (ev): -67.0556 -67.0556 -36.8509 -36.8508 -35.6510 -35.6509 -35.6501 -35.6501 1.2444 1.2517 4.7897 4.7970 7.0221 7.0927 7.1897 7.2751 7.8561 7.8743 8.0219 8.0665 8.3329 8.3403 9.3183 9.4031 9.5394 9.5700 10.9345 10.9618 11.1014 11.1125 11.1181 11.1464 11.6298 11.6355 11.8851 11.8872 14.2987 14.3010 k = 0.5069-0.2766 0.4082 ( 4854 PWs) bands (ev): -67.0556 -67.0556 -36.8508 -36.8508 -35.6510 -35.6510 -35.6501 -35.6501 1.2462 1.2498 4.7865 4.7902 7.0429 7.0783 7.2112 7.2542 7.9109 7.9117 7.9860 8.0184 8.3333 8.3371 9.3449 9.3871 9.5443 9.5601 10.9458 10.9600 11.1152 11.1180 11.1209 11.1384 11.6238 11.6266 11.8851 11.8861 14.2833 14.2847 k = 0.5000-0.2887 0.4082 ( 4880 PWs) bands (ev): -67.0582 -67.0582 -36.8509 -36.8509 -35.6511 -35.6511 -35.6502 -35.6502 1.2479 1.2479 4.7865 4.7865 7.0615 7.0615 7.2326 7.2326 7.9447 7.9447 7.9690 7.9690 8.3342 8.3342 9.3670 9.3670 9.5505 9.5505 10.9480 10.9480 11.1127 11.1127 11.1204 11.1204 11.6156 11.6156 11.8795 11.8795 14.2770 14.2770 Writing output data file MnSbPt.save init_run : 1.07s CPU 0.63s WALL ( 1 calls) electrons : 242.80s CPU 151.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.16s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 242.79s CPU 151.82s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.32s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.30s CPU 0.41s WALL ( 339 calls) cegterg : 215.42s CPU 135.21s WALL ( 388 calls) Called by sum_band: Called by *egterg: h_psi : 152.81s CPU 89.59s WALL ( 6117 calls) s_psi : 5.57s CPU 3.35s WALL ( 6117 calls) g_psi : 0.30s CPU 0.22s WALL ( 5390 calls) cdiaghg : 55.79s CPU 39.35s WALL ( 5729 calls) cegterg:over : 8.94s CPU 5.61s WALL ( 5390 calls) cegterg:upda : 7.48s CPU 4.88s WALL ( 5390 calls) cegterg:last : 3.46s CPU 2.27s WALL ( 1179 calls) cdiaghg:chol : 3.16s CPU 2.25s WALL ( 5729 calls) cdiaghg:inve : 1.56s CPU 1.16s WALL ( 5729 calls) cdiaghg:para : 2.89s CPU 2.15s WALL ( 11458 calls) Called by h_psi: h_psi:vloc : 136.46s CPU 79.74s WALL ( 6117 calls) h_psi:vnl : 16.02s CPU 9.64s WALL ( 6117 calls) add_vuspsi : 9.58s CPU 5.54s WALL ( 6117 calls) General routines calbec : 6.38s CPU 4.08s WALL ( 6117 calls) fft : 0.11s CPU 0.06s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 127.56s CPU 74.16s WALL ( 604856 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.41s CPU 0.78s WALL ( 678 calls) Parallel routines fft_scatter : 58.23s CPU 35.26s WALL ( 604879 calls) PWSCF : 4m17.76s CPU 2m57.65s WALL This run was terminated on: 4:16:44 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=