Program PWSCF v.5.4.0 starts on 12Feb2017 at 2:35:23 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: ./ZrCoBi.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 60 41 12 1833 1069 165 Max 61 42 13 1836 1085 168 Sum 2161 1507 433 66027 38781 5961 bravais-lattice index = 14 lattice parameter (alat) = 8.2736 a.u. unit-cell volume = 400.4665 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.273585 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Co read from file: /users/gautes/Pseudo/Co.rel-pbe-oncvpsp.UPF MD5 check sum: 638ceb3e57836b9ea4bada7149e48805 Pseudo is Norm-conserving, Zval = 17.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1388 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 atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Bi 15.00 208.98040 Bi( 1.00) Co 17.00 58.93320 Co( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 339 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0029499 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0029499 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0029499 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0029499 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0029499 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0029499 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0029499 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0029499 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0029499 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0029499 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0029499 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0029499 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0029499 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0029499 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0029499 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0029499 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0029499 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0029499 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0029499 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0029499 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0029499 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0029499 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0029499 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0029499 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0029499 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0029499 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0029499 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0029499 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0029499 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0029499 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0029499 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0029499 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0029499 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0029499 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0029499 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0029499 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0029499 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0029499 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0029499 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0029499 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0029499 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0029499 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0029499 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0029499 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0029499 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0029499 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0029499 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0029499 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0029499 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0029499 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0029499 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0029499 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0029499 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0029499 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0029499 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0029499 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0029499 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0029499 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0029499 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0029499 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0029499 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0029499 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0029499 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0029499 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0029499 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0029499 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0029499 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0029499 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0029499 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0029499 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0029499 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0029499 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0029499 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0029499 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0029499 k( 79) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 81) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029499 k( 82) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029499 k( 83) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029499 k( 84) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029499 k( 85) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029499 k( 86) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029499 k( 87) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029499 k( 88) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029499 k( 89) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029499 k( 90) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029499 k( 91) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029499 k( 92) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029499 k( 93) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029499 k( 94) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029499 k( 95) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029499 k( 96) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029499 k( 97) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029499 k( 98) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 100) = ( 0.3680556 0.2124970 0.6010322), wk = 0.0029499 k( 101) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0029499 k( 102) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0029499 k( 103) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0029499 k( 104) = ( 0.3402778 0.1964595 0.5556713), wk = 0.0029499 k( 105) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0029499 k( 106) = ( 0.3263889 0.1884407 0.5329908), wk = 0.0029499 k( 107) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0029499 k( 108) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0029499 k( 109) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0029499 k( 110) = ( 0.2986111 0.1724032 0.4876299), wk = 0.0029499 k( 111) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0029499 k( 112) = ( 0.2847222 0.1643845 0.4649494), wk = 0.0029499 k( 113) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0029499 k( 114) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0029499 k( 115) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0029499 k( 116) = ( 0.2569444 0.1483469 0.4195885), wk = 0.0029499 k( 117) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0029499 k( 118) = ( 0.2430556 0.1403282 0.3969081), wk = 0.0029499 k( 119) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0029499 k( 120) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0029499 k( 121) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0029499 k( 122) = ( 0.2152778 0.1242907 0.3515471), wk = 0.0029499 k( 123) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0029499 k( 124) = ( 0.2013889 0.1162719 0.3288667), wk = 0.0029499 k( 125) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0029499 k( 126) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0029499 k( 127) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0029499 k( 128) = ( 0.1736111 0.1002344 0.2835058), wk = 0.0029499 k( 129) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0029499 k( 130) = ( 0.1597222 0.0922157 0.2608253), wk = 0.0029499 k( 131) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0029499 k( 132) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0029499 k( 133) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0029499 k( 134) = ( 0.1319444 0.0761782 0.2154644), wk = 0.0029499 k( 135) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0029499 k( 136) = ( 0.1180556 0.0681594 0.1927839), wk = 0.0029499 k( 137) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0029499 k( 138) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0029499 k( 139) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0029499 k( 140) = ( 0.0902778 0.0521219 0.1474230), wk = 0.0029499 k( 141) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0029499 k( 142) = ( 0.0763889 0.0441031 0.1247425), wk = 0.0029499 k( 143) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0029499 k( 144) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0029499 k( 145) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0029499 k( 146) = ( 0.0486111 0.0280656 0.0793816), wk = 0.0029499 k( 147) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0029499 k( 148) = ( 0.0347222 0.0200469 0.0567011), wk = 0.0029499 k( 149) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0029499 k( 150) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0029499 k( 151) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0029499 k( 152) = ( 0.0069444 0.0040094 0.0113402), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 155) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029499 k( 156) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029499 k( 157) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029499 k( 158) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029499 k( 159) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029499 k( 160) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029499 k( 161) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029499 k( 162) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029499 k( 163) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029499 k( 164) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029499 k( 165) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029499 k( 166) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029499 k( 167) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029499 k( 168) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029499 k( 169) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029499 k( 170) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029499 k( 171) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029499 k( 172) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029499 k( 173) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029499 k( 174) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029499 k( 175) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029499 k( 176) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029499 k( 177) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029499 k( 178) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029499 k( 179) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029499 k( 180) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029499 k( 181) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029499 k( 182) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029499 k( 183) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029499 k( 184) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029499 k( 185) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029499 k( 186) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029499 k( 187) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029499 k( 188) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029499 k( 189) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029499 k( 190) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029499 k( 191) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029499 k( 192) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029499 k( 193) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029499 k( 194) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029499 k( 195) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029499 k( 196) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029499 k( 197) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029499 k( 198) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 199) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 200) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0029499 k( 201) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0029499 k( 202) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0029499 k( 203) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0029499 k( 204) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0029499 k( 205) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0029499 k( 206) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0029499 k( 207) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0029499 k( 208) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0029499 k( 209) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0029499 k( 210) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0029499 k( 211) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0029499 k( 212) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0029499 k( 213) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0029499 k( 214) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0029499 k( 215) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0029499 k( 216) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0029499 k( 217) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0029499 k( 218) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0029499 k( 219) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0029499 k( 220) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0029499 k( 221) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0029499 k( 222) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0029499 k( 223) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0029499 k( 224) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0029499 k( 225) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0029499 k( 226) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0029499 k( 227) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0029499 k( 228) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0029499 k( 229) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0029499 k( 230) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0029499 k( 231) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 232) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 233) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029499 k( 234) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029499 k( 235) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029499 k( 236) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029499 k( 237) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029499 k( 238) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029499 k( 239) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029499 k( 240) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029499 k( 241) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029499 k( 242) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029499 k( 243) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029499 k( 244) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029499 k( 245) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029499 k( 246) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029499 k( 247) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029499 k( 248) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029499 k( 249) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029499 k( 250) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 251) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029499 k( 252) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029499 k( 253) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029499 k( 254) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029499 k( 255) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029499 k( 256) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029499 k( 257) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029499 k( 258) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029499 k( 259) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029499 k( 260) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029499 k( 261) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029499 k( 262) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029499 k( 263) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029499 k( 264) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029499 k( 265) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029499 k( 266) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029499 k( 267) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029499 k( 268) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029499 k( 269) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029499 k( 270) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029499 k( 271) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029499 k( 272) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029499 k( 273) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029499 k( 274) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029499 k( 275) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029499 k( 276) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029499 k( 277) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029499 k( 278) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029499 k( 279) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029499 k( 280) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029499 k( 281) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029499 k( 282) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029499 k( 283) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029499 k( 284) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029499 k( 285) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029499 k( 286) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029499 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 288) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029499 k( 289) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0029499 k( 290) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0029499 k( 291) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0029499 k( 292) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0029499 k( 293) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0029499 k( 294) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0029499 k( 295) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0029499 k( 296) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0029499 k( 297) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0029499 k( 298) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0029499 k( 299) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0029499 k( 300) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0029499 k( 301) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0029499 k( 302) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0029499 k( 303) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0029499 k( 304) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0029499 k( 305) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0029499 k( 306) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0029499 k( 307) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0029499 k( 308) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0029499 k( 309) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0029499 k( 310) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0029499 k( 311) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0029499 k( 312) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0029499 k( 313) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0029499 k( 314) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0029499 k( 315) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0029499 k( 316) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0029499 k( 317) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0029499 k( 318) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0029499 k( 319) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0029499 k( 320) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029499 k( 321) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029499 k( 322) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029499 k( 323) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029499 k( 324) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029499 k( 325) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029499 k( 326) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029499 k( 327) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029499 k( 328) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029499 k( 329) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029499 k( 330) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029499 k( 331) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029499 k( 332) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029499 k( 333) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029499 k( 334) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029499 k( 335) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029499 k( 336) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029499 k( 337) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029499 k( 338) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029499 k( 339) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029499 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 2) = ( 0.0098039 -0.0000000 0.0098039), wk = 0.0029499 k( 3) = ( 0.0196078 -0.0000000 0.0196078), wk = 0.0029499 k( 4) = ( 0.0294118 -0.0000000 0.0294118), wk = 0.0029499 k( 5) = ( 0.0392157 -0.0000000 0.0392157), wk = 0.0029499 k( 6) = ( 0.0490196 -0.0000000 0.0490196), wk = 0.0029499 k( 7) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0029499 k( 8) = ( 0.0686275 0.0000000 0.0686275), wk = 0.0029499 k( 9) = ( 0.0784314 -0.0000000 0.0784314), wk = 0.0029499 k( 10) = ( 0.0882353 0.0000000 0.0882353), wk = 0.0029499 k( 11) = ( 0.0980392 -0.0000000 0.0980392), wk = 0.0029499 k( 12) = ( 0.1078431 -0.0000000 0.1078431), wk = 0.0029499 k( 13) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0029499 k( 14) = ( 0.1274510 0.0000000 0.1274510), wk = 0.0029499 k( 15) = ( 0.1372549 0.0000000 0.1372549), wk = 0.0029499 k( 16) = ( 0.1470588 -0.0000000 0.1470588), wk = 0.0029499 k( 17) = ( 0.1568627 -0.0000000 0.1568627), wk = 0.0029499 k( 18) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0029499 k( 19) = ( 0.1764706 -0.0000000 0.1764706), wk = 0.0029499 k( 20) = ( 0.1862745 -0.0000000 0.1862745), wk = 0.0029499 k( 21) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0029499 k( 22) = ( 0.2058823 -0.0000000 0.2058823), wk = 0.0029499 k( 23) = ( 0.2156863 -0.0000000 0.2156863), wk = 0.0029499 k( 24) = ( 0.2254902 -0.0000000 0.2254902), wk = 0.0029499 k( 25) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0029499 k( 26) = ( 0.2450980 -0.0000000 0.2450980), wk = 0.0029499 k( 27) = ( 0.2549020 0.0000000 0.2549020), wk = 0.0029499 k( 28) = ( 0.2647059 -0.0000000 0.2647059), wk = 0.0029499 k( 29) = ( 0.2745098 0.0000000 0.2745098), wk = 0.0029499 k( 30) = ( 0.2843137 -0.0000000 0.2843137), wk = 0.0029499 k( 31) = ( 0.2941177 0.0000000 0.2941177), wk = 0.0029499 k( 32) = ( 0.3039216 -0.0000000 0.3039216), wk = 0.0029499 k( 33) = ( 0.3137255 -0.0000000 0.3137255), wk = 0.0029499 k( 34) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0029499 k( 35) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0029499 k( 36) = ( 0.3431373 0.0000000 0.3431373), 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 0.4313725), wk = 0.0029499 k( 46) = ( 0.4411765 0.0000000 0.4411765), wk = 0.0029499 k( 47) = ( 0.4509804 -0.0000000 0.4509804), wk = 0.0029499 k( 48) = ( 0.4607843 -0.0000000 0.4607843), wk = 0.0029499 k( 49) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0029499 k( 50) = ( 0.4803922 -0.0000000 0.4803922), wk = 0.0029499 k( 51) = ( 0.4901961 -0.0000000 0.4901961), wk = 0.0029499 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 k( 54) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0029499 k( 55) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0029499 k( 56) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0029499 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0029499 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0029499 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0029499 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0029499 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0029499 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0029499 k( 63) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0029499 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0029499 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0029499 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0029499 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0029499 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0029499 k( 69) = ( 0.5000000 0.1538461 0.6538462), 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 0.2211538 0.7211538), wk = 0.0029499 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0029499 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0029499 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 81) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029499 k( 82) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029499 k( 83) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029499 k( 84) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029499 k( 85) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029499 k( 86) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029499 k( 87) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029499 k( 88) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029499 k( 89) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029499 k( 90) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029499 k( 91) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029499 k( 92) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029499 k( 93) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029499 k( 94) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029499 k( 95) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029499 k( 96) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029499 k( 97) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029499 k( 98) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 100) = ( 0.3680556 0.3680556 0.7361111), wk = 0.0029499 k( 101) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0029499 k( 102) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0029499 k( 103) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0029499 k( 104) = ( 0.3402778 0.3402778 0.6805556), wk = 0.0029499 k( 105) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0029499 k( 106) = ( 0.3263889 0.3263889 0.6527778), wk = 0.0029499 k( 107) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0029499 k( 108) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0029499 k( 109) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0029499 k( 110) = ( 0.2986111 0.2986111 0.5972222), wk = 0.0029499 k( 111) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0029499 k( 112) = ( 0.2847222 0.2847222 0.5694444), wk = 0.0029499 k( 113) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0029499 k( 114) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0029499 k( 115) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0029499 k( 116) = ( 0.2569444 0.2569444 0.5138889), wk = 0.0029499 k( 117) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029499 k( 118) = ( 0.2430556 0.2430556 0.4861111), wk = 0.0029499 k( 119) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0029499 k( 120) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0029499 k( 121) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0029499 k( 122) = ( 0.2152778 0.2152778 0.4305556), wk = 0.0029499 k( 123) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0029499 k( 124) = ( 0.2013889 0.2013889 0.4027778), wk = 0.0029499 k( 125) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0029499 k( 126) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0029499 k( 127) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0029499 k( 128) = ( 0.1736111 0.1736111 0.3472222), wk = 0.0029499 k( 129) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029499 k( 130) = ( 0.1597222 0.1597222 0.3194444), wk = 0.0029499 k( 131) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0029499 k( 132) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0029499 k( 133) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0029499 k( 134) = ( 0.1319444 0.1319444 0.2638889), wk = 0.0029499 k( 135) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0029499 k( 136) = ( 0.1180556 0.1180556 0.2361111), wk = 0.0029499 k( 137) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0029499 k( 138) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0029499 k( 139) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0029499 k( 140) = ( 0.0902778 0.0902778 0.1805556), wk = 0.0029499 k( 141) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0029499 k( 142) = ( 0.0763889 0.0763889 0.1527778), wk = 0.0029499 k( 143) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0029499 k( 144) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0029499 k( 145) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0029499 k( 146) = ( 0.0486111 0.0486111 0.0972222), wk = 0.0029499 k( 147) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0029499 k( 148) = ( 0.0347222 0.0347222 0.0694444), wk = 0.0029499 k( 149) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0029499 k( 150) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0029499 k( 151) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0029499 k( 152) = ( 0.0069444 0.0069444 0.0138889), wk = 0.0029499 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029499 k( 155) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029499 k( 156) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029499 k( 157) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029499 k( 158) = ( 0.0454546 0.0454546 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 0.1704545 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 0.2045454 0.2045454), wk = 0.0029499 k( 173) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029499 k( 174) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029499 k( 175) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029499 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029499 k( 177) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029499 k( 178) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029499 k( 179) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029499 k( 180) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029499 k( 181) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029499 k( 182) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029499 k( 183) = ( 0.3295455 0.3295454 0.3295455), wk = 0.0029499 k( 184) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029499 k( 185) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029499 k( 186) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029499 k( 187) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029499 k( 188) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029499 k( 189) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029499 k( 190) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029499 k( 191) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029499 k( 192) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029499 k( 193) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029499 k( 194) = ( 0.4545455 0.4545454 0.4545455), 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 0.5039062), wk = 0.0029499 k( 201) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0029499 k( 202) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0029499 k( 203) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0029499 k( 204) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0029499 k( 205) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0029499 k( 206) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0029499 k( 207) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0029499 k( 208) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0029499 k( 209) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0029499 k( 210) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0029499 k( 211) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0029499 k( 212) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0029499 k( 213) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0029499 k( 214) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0029499 k( 215) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0029499 k( 216) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0029499 k( 217) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0029499 k( 218) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0029499 k( 219) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0029499 k( 220) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0029499 k( 221) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0029499 k( 222) = ( 0.5898438 0.3203125 0.5898438), 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 0.6132812), wk = 0.0029499 k( 229) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0029499 k( 230) = ( 0.6210938 0.2578125 0.6210937), wk = 0.0029499 k( 231) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 232) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 233) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029499 k( 234) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029499 k( 235) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029499 k( 236) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029499 k( 237) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029499 k( 238) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029499 k( 239) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029499 k( 240) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029499 k( 241) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029499 k( 242) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029499 k( 243) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029499 k( 244) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029499 k( 245) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029499 k( 246) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029499 k( 247) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029499 k( 248) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029499 k( 249) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029499 k( 250) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 251) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029499 k( 252) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029499 k( 253) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029499 k( 254) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029499 k( 255) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029499 k( 256) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029499 k( 257) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029499 k( 258) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029499 k( 259) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029499 k( 260) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029499 k( 261) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029499 k( 262) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029499 k( 263) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029499 k( 264) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029499 k( 265) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029499 k( 266) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029499 k( 267) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029499 k( 268) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029499 k( 269) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029499 k( 270) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029499 k( 271) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029499 k( 272) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029499 k( 273) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029499 k( 274) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029499 k( 275) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029499 k( 276) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029499 k( 277) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029499 k( 278) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029499 k( 279) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029499 k( 280) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029499 k( 281) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029499 k( 282) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029499 k( 283) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029499 k( 284) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029499 k( 285) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029499 k( 286) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029499 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 288) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029499 k( 289) = ( 0.4960938 0.4960937 0.5078125), wk = 0.0029499 k( 290) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0029499 k( 291) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0029499 k( 292) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0029499 k( 293) = ( 0.4804688 0.4804687 0.5390625), wk = 0.0029499 k( 294) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0029499 k( 295) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0029499 k( 296) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0029499 k( 297) = ( 0.4648438 0.4648437 0.5703125), wk = 0.0029499 k( 298) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0029499 k( 299) = ( 0.4570312 0.4570312 0.5859375), wk = 0.0029499 k( 300) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0029499 k( 301) = ( 0.4492188 0.4492187 0.6015625), wk = 0.0029499 k( 302) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0029499 k( 303) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0029499 k( 304) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0029499 k( 305) = ( 0.4335938 0.4335937 0.6328125), wk = 0.0029499 k( 306) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0029499 k( 307) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0029499 k( 308) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0029499 k( 309) = ( 0.4179688 0.4179687 0.6640625), wk = 0.0029499 k( 310) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0029499 k( 311) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0029499 k( 312) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0029499 k( 313) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0029499 k( 314) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0029499 k( 315) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0029499 k( 316) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0029499 k( 317) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0029499 k( 318) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0029499 k( 319) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0029499 k( 320) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029499 k( 321) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029499 k( 322) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029499 k( 323) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029499 k( 324) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029499 k( 325) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029499 k( 326) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029499 k( 327) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029499 k( 328) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029499 k( 329) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029499 k( 330) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029499 k( 331) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029499 k( 332) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029499 k( 333) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029499 k( 334) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029499 k( 335) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029499 k( 336) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029499 k( 337) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029499 k( 338) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029499 k( 339) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029499 Dense grid: 66027 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 38781 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 280, 44) NL pseudopotentials 0.18 Mb ( 140, 84) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1835) G-vector shells 0.00 Mb ( 454) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 280, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.11 Mb ( 84, 2, 44) The potential is recalculated from file : ./ZrCoBi.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.6 secs Computing kpt #: 8 total cpu time spent up to now is 5.0 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 5.8 secs Computing kpt #: 11 total cpu time spent up to now is 6.3 secs Computing kpt #: 12 total cpu time spent up to now is 6.7 secs Computing kpt #: 13 total cpu time spent up to now is 7.1 secs Computing kpt #: 14 total cpu time spent up to now is 7.5 secs Computing kpt #: 15 total cpu time spent up to now is 7.9 secs Computing kpt #: 16 total cpu time spent up to now is 8.2 secs Computing kpt #: 17 total cpu time spent up to now is 8.6 secs Computing kpt #: 18 total cpu time spent up to now is 9.1 secs Computing kpt #: 19 total cpu time spent up to now is 9.5 secs Computing kpt #: 20 total cpu time spent up to now is 9.9 secs Computing kpt #: 21 total cpu time spent up to now is 10.3 secs Computing kpt #: 22 total cpu time spent up to now is 10.7 secs Computing kpt #: 23 total cpu time spent up to now is 11.1 secs Computing kpt #: 24 total cpu time spent up to now is 11.6 secs Computing kpt #: 25 total cpu time spent up to now is 12.0 secs Computing kpt #: 26 total cpu time spent up to now is 12.4 secs Computing kpt #: 27 total cpu time spent up to now is 12.9 secs Computing kpt #: 28 total cpu time spent up to now is 13.3 secs Computing kpt #: 29 total cpu time spent up to now is 13.8 secs Computing kpt #: 30 total cpu time spent up to now is 14.2 secs Computing kpt #: 31 total cpu time spent up to now is 14.7 secs Computing kpt #: 32 total cpu time spent up to now is 15.1 secs Computing kpt #: 33 total cpu time spent up to now is 15.6 secs Computing kpt #: 34 total cpu time spent up to now is 16.1 secs Computing kpt #: 35 total cpu time spent up to now is 16.5 secs Computing kpt #: 36 total cpu time spent up to now is 17.0 secs Computing kpt #: 37 total cpu time spent up to now is 17.5 secs Computing kpt #: 38 total cpu time spent up to now is 17.9 secs Computing kpt #: 39 total cpu time spent up to now is 18.4 secs Computing kpt #: 40 total cpu time spent up to now is 18.9 secs Computing kpt #: 41 total cpu time spent up to now is 19.5 secs Computing kpt #: 42 total cpu time spent up to now is 19.9 secs Computing kpt #: 43 total cpu time spent up to now is 20.4 secs Computing kpt #: 44 total cpu time spent up to now is 20.9 secs Computing kpt #: 45 total cpu time spent up to now is 21.4 secs Computing kpt #: 46 total cpu time spent up to now is 21.8 secs Computing kpt #: 47 total cpu time spent up to now is 22.3 secs Computing kpt #: 48 total cpu time spent up to now is 22.7 secs Computing kpt #: 49 total cpu time spent up to now is 23.1 secs Computing kpt #: 50 total cpu time spent up to now is 23.6 secs Computing kpt #: 51 total cpu time spent up to now is 24.0 secs Computing kpt #: 52 total cpu time spent up to now is 24.5 secs Computing kpt #: 53 total cpu time spent up to now is 24.9 secs Computing kpt #: 54 total cpu time spent up to now is 25.3 secs Computing kpt #: 55 total cpu time spent up to now is 25.7 secs Computing kpt #: 56 total cpu time spent up to now is 26.2 secs Computing kpt #: 57 total cpu time spent up to now is 26.6 secs Computing kpt #: 58 total cpu time spent up to now is 27.1 secs Computing kpt #: 59 total cpu time spent up to now is 27.5 secs Computing kpt #: 60 total cpu time spent up to now is 27.9 secs Computing kpt #: 61 total cpu time spent up to now is 28.4 secs Computing kpt #: 62 total cpu time spent up to now is 28.8 secs Computing kpt #: 63 total cpu time spent up to now is 29.3 secs Computing kpt #: 64 total cpu time spent up to now is 29.7 secs Computing kpt #: 65 total cpu time spent up to now is 30.2 secs Computing kpt #: 66 total cpu time spent up to now is 30.7 secs Computing kpt #: 67 total cpu time spent up to now is 31.1 secs Computing kpt #: 68 total cpu time spent up to now is 31.5 secs Computing kpt #: 69 total cpu time spent up to now is 32.0 secs Computing kpt #: 70 total cpu time spent up to now is 32.4 secs Computing kpt #: 71 total cpu time spent up to now is 32.9 secs Computing kpt #: 72 total cpu time spent up to now is 33.3 secs Computing kpt #: 73 total cpu time spent up to now is 34.1 secs Computing kpt #: 74 total cpu time spent up to now is 34.6 secs Computing kpt #: 75 total cpu time spent up to now is 35.0 secs Computing kpt #: 76 total cpu time spent up to now is 35.5 secs Computing kpt #: 77 total cpu time spent up to now is 36.9 secs Computing kpt #: 78 total cpu time spent up to now is 37.3 secs Computing kpt #: 79 total cpu time spent up to now is 37.8 secs Computing kpt #: 80 total cpu time spent up to now is 38.2 secs Computing kpt #: 81 total cpu time spent up to now is 38.6 secs Computing kpt #: 82 total cpu time spent up to now is 39.1 secs Computing kpt #: 83 total cpu time spent up to now is 39.5 secs Computing kpt #: 84 total cpu time spent up to now is 40.0 secs Computing kpt #: 85 total cpu time spent up to now is 40.5 secs Computing kpt #: 86 total cpu time spent up to now is 40.9 secs Computing kpt #: 87 total cpu time spent up to now is 41.4 secs Computing kpt #: 88 total cpu time spent up to now is 41.9 secs Computing kpt #: 89 total cpu time spent up to now is 42.3 secs Computing kpt #: 90 total cpu time spent up to now is 42.9 secs Computing kpt #: 91 total cpu time spent up to now is 43.3 secs Computing kpt #: 92 total cpu time spent up to now is 43.8 secs Computing kpt #: 93 total cpu time spent up to now is 44.3 secs Computing kpt #: 94 total cpu time spent up to now is 44.8 secs Computing kpt #: 95 total cpu time spent up to now is 45.3 secs Computing kpt #: 96 total cpu time spent up to now is 45.9 secs Computing kpt #: 97 total cpu time spent up to now is 46.4 secs Computing kpt #: 98 total cpu time spent up to now is 46.9 secs Computing kpt #: 99 total cpu time spent up to now is 47.4 secs Computing kpt #: 100 total cpu time spent up to now is 47.9 secs Computing kpt #: 101 total cpu time spent up to now is 48.4 secs Computing kpt #: 102 total cpu time spent up to now is 48.9 secs Computing kpt #: 103 total cpu time spent up to now is 49.3 secs Computing kpt #: 104 total cpu time spent up to now is 49.8 secs Computing kpt #: 105 total cpu time spent up to now is 50.3 secs Computing kpt #: 106 total cpu time spent up to now is 50.7 secs Computing kpt #: 107 total cpu time spent up to now is 51.2 secs Computing kpt #: 108 total cpu time spent up to now is 51.7 secs Computing kpt #: 109 total cpu time spent up to now is 52.1 secs Computing kpt #: 110 total cpu time spent up to now is 52.6 secs Computing kpt #: 111 total cpu time spent up to now is 53.0 secs Computing kpt #: 112 total cpu time spent up to now is 53.5 secs Computing kpt #: 113 total cpu time spent up to now is 53.9 secs Computing kpt #: 114 total cpu time spent up to now is 54.3 secs Computing kpt #: 115 total cpu time spent up to now is 54.8 secs Computing kpt #: 116 total cpu time spent up to now is 55.3 secs Computing kpt #: 117 total cpu time spent up to now is 55.7 secs Computing kpt #: 118 total cpu time spent up to now is 56.2 secs Computing kpt #: 119 total cpu time spent up to now is 56.6 secs Computing kpt #: 120 total cpu time spent up to now is 57.1 secs Computing kpt #: 121 total cpu time spent up to now is 57.5 secs Computing kpt #: 122 total cpu time spent up to now is 57.9 secs Computing kpt #: 123 total cpu time spent up to now is 58.3 secs Computing kpt #: 124 total cpu time spent up to now is 58.8 secs Computing kpt #: 125 total cpu time spent up to now is 59.2 secs Computing kpt #: 126 total cpu time spent up to now is 59.7 secs Computing kpt #: 127 total cpu time spent up to now is 60.1 secs Computing kpt #: 128 total cpu time spent up to now is 60.6 secs Computing kpt #: 129 total cpu time spent up to now is 61.0 secs Computing kpt #: 130 total cpu time spent up to now is 61.5 secs Computing kpt #: 131 total cpu time spent up to now is 61.9 secs Computing kpt #: 132 total cpu time spent up to now is 62.4 secs Computing kpt #: 133 total cpu time spent up to now is 62.8 secs Computing kpt #: 134 total cpu time spent up to now is 63.2 secs Computing kpt #: 135 total cpu time spent up to now is 63.7 secs Computing kpt #: 136 total cpu time spent up to now is 64.1 secs Computing kpt #: 137 total cpu time spent up to now is 64.5 secs Computing kpt #: 138 total cpu time spent up to now is 64.9 secs Computing kpt #: 139 total cpu time spent up to now is 65.3 secs Computing kpt #: 140 total cpu time spent up to now is 65.7 secs Computing kpt #: 141 total cpu time spent up to now is 66.2 secs Computing kpt #: 142 total cpu time spent up to now is 66.6 secs Computing kpt #: 143 total cpu time spent up to now is 67.0 secs Computing kpt #: 144 total cpu time spent up to now is 67.4 secs Computing kpt #: 145 total cpu time spent up to now is 67.9 secs Computing kpt #: 146 total cpu time spent up to now is 68.3 secs Computing kpt #: 147 total cpu time spent up to now is 68.7 secs Computing kpt #: 148 total cpu time spent up to now is 69.1 secs Computing kpt #: 149 total cpu time spent up to now is 69.6 secs Computing kpt #: 150 total cpu time spent up to now is 70.0 secs Computing kpt #: 151 total cpu time spent up to now is 70.4 secs Computing kpt #: 152 total cpu time spent up to now is 70.9 secs Computing kpt #: 153 total cpu time spent up to now is 71.3 secs Computing kpt #: 154 total cpu time spent up to now is 71.7 secs Computing kpt #: 155 total cpu time spent up to now is 72.1 secs Computing kpt #: 156 total cpu time spent up to now is 72.5 secs Computing kpt #: 157 total cpu time spent up to now is 72.9 secs Computing kpt #: 158 total cpu time spent up to now is 73.3 secs Computing kpt #: 159 total cpu time spent up to now is 73.7 secs Computing kpt #: 160 total cpu time spent up to now is 74.1 secs Computing kpt #: 161 total cpu time spent up to now is 74.5 secs Computing kpt #: 162 total cpu time spent up to now is 75.0 secs Computing kpt #: 163 total cpu time spent up to now is 75.4 secs Computing kpt #: 164 total cpu time spent up to now is 75.8 secs Computing kpt #: 165 total cpu time spent up to now is 76.3 secs Computing kpt #: 166 total cpu time spent up to now is 76.7 secs Computing kpt #: 167 total cpu time spent up to now is 77.2 secs Computing kpt #: 168 total cpu time spent up to now is 77.6 secs Computing kpt #: 169 total cpu time spent up to now is 78.1 secs Computing kpt #: 170 total cpu time spent up to now is 78.5 secs Computing kpt #: 171 total cpu time spent up to now is 78.9 secs Computing kpt #: 172 total cpu time spent up to now is 79.4 secs Computing kpt #: 173 total cpu time spent up to now is 79.9 secs Computing kpt #: 174 total cpu time spent up to now is 80.3 secs Computing kpt #: 175 total cpu time spent up to now is 80.7 secs Computing kpt #: 176 total cpu time spent up to now is 81.2 secs Computing kpt #: 177 total cpu time spent up to now is 81.7 secs Computing kpt #: 178 total cpu time spent up to now is 82.2 secs Computing kpt #: 179 total cpu time spent up to now is 82.6 secs Computing kpt #: 180 total cpu time spent up to now is 83.1 secs Computing kpt #: 181 total cpu time spent up to now is 83.6 secs Computing kpt #: 182 total cpu time spent up to now is 84.1 secs Computing kpt #: 183 total cpu time spent up to now is 84.7 secs Computing kpt #: 184 total cpu time spent up to now is 85.1 secs Computing kpt #: 185 total cpu time spent up to now is 85.7 secs Computing kpt #: 186 total cpu time spent up to now is 86.1 secs Computing kpt #: 187 total cpu time spent up to now is 86.6 secs Computing kpt #: 188 total cpu time spent up to now is 87.0 secs Computing kpt #: 189 total cpu time spent up to now is 87.5 secs Computing kpt #: 190 total cpu time spent up to now is 87.9 secs Computing kpt #: 191 total cpu time spent up to now is 88.3 secs Computing kpt #: 192 total cpu time spent up to now is 88.7 secs Computing kpt #: 193 total cpu time spent up to now is 89.1 secs Computing kpt #: 194 total cpu time spent up to now is 89.5 secs Computing kpt #: 195 total cpu time spent up to now is 90.0 secs Computing kpt #: 196 total cpu time spent up to now is 90.4 secs Computing kpt #: 197 total cpu time spent up to now is 90.8 secs Computing kpt #: 198 total cpu time spent up to now is 91.2 secs Computing kpt #: 199 total cpu time spent up to now is 91.6 secs Computing kpt #: 200 total cpu time spent up to now is 92.0 secs Computing kpt #: 201 total cpu time spent up to now is 92.5 secs Computing kpt #: 202 total cpu time spent up to now is 92.9 secs Computing kpt #: 203 total cpu time spent up to now is 93.3 secs Computing kpt #: 204 total cpu time spent up to now is 93.7 secs Computing kpt #: 205 total cpu time spent up to now is 94.1 secs Computing kpt #: 206 total cpu time spent up to now is 94.6 secs Computing kpt #: 207 total cpu time spent up to now is 95.1 secs Computing kpt #: 208 total cpu time spent up to now is 95.5 secs Computing kpt #: 209 total cpu time spent up to now is 96.0 secs Computing kpt #: 210 total cpu time spent up to now is 96.5 secs Computing kpt #: 211 total cpu time spent up to now is 96.9 secs Computing kpt #: 212 total cpu time spent up to now is 97.4 secs Computing kpt #: 213 total cpu time spent up to now is 97.9 secs Computing kpt #: 214 total cpu time spent up to now is 98.4 secs Computing kpt #: 215 total cpu time spent up to now is 98.8 secs Computing kpt #: 216 total cpu time spent up to now is 99.3 secs Computing kpt #: 217 total cpu time spent up to now is 99.7 secs Computing kpt #: 218 total cpu time spent up to now is 100.2 secs Computing kpt #: 219 total cpu time spent up to now is 100.7 secs Computing kpt #: 220 total cpu time spent up to now is 101.1 secs Computing kpt #: 221 total cpu time spent up to now is 101.6 secs Computing kpt #: 222 total cpu time spent up to now is 102.1 secs Computing kpt #: 223 total cpu time spent up to now is 102.5 secs Computing kpt #: 224 total cpu time spent up to now is 103.0 secs Computing kpt #: 225 total cpu time spent up to now is 103.5 secs Computing kpt #: 226 total cpu time spent up to now is 103.9 secs Computing kpt #: 227 total cpu time spent up to now is 104.5 secs Computing kpt #: 228 total cpu time spent up to now is 104.9 secs Computing kpt #: 229 total cpu time spent up to now is 105.5 secs Computing kpt #: 230 total cpu time spent up to now is 106.0 secs Computing kpt #: 231 total cpu time spent up to now is 106.5 secs Computing kpt #: 232 total cpu time spent up to now is 107.0 secs Computing kpt #: 233 total cpu time spent up to now is 107.6 secs Computing kpt #: 234 total cpu time spent up to now is 108.1 secs Computing kpt #: 235 total cpu time spent up to now is 108.6 secs Computing kpt #: 236 total cpu time spent up to now is 109.1 secs Computing kpt #: 237 total cpu time spent up to now is 109.6 secs Computing kpt #: 238 total cpu time spent up to now is 110.1 secs Computing kpt #: 239 total cpu time spent up to now is 110.6 secs Computing kpt #: 240 total cpu time spent up to now is 111.1 secs Computing kpt #: 241 total cpu time spent up to now is 111.5 secs Computing kpt #: 242 total cpu time spent up to now is 112.0 secs Computing kpt #: 243 total cpu time spent up to now is 112.5 secs Computing kpt #: 244 total cpu time spent up to now is 112.9 secs Computing kpt #: 245 total cpu time spent up to now is 113.4 secs Computing kpt #: 246 total cpu time spent up to now is 113.8 secs Computing kpt #: 247 total cpu time spent up to now is 114.3 secs Computing kpt #: 248 total cpu time spent up to now is 114.7 secs Computing kpt #: 249 total cpu time spent up to now is 115.1 secs Computing kpt #: 250 total cpu time spent up to now is 115.7 secs Computing kpt #: 251 total cpu time spent up to now is 116.1 secs Computing kpt #: 252 total cpu time spent up to now is 116.6 secs Computing kpt #: 253 total cpu time spent up to now is 117.1 secs Computing kpt #: 254 total cpu time spent up to now is 117.5 secs Computing kpt #: 255 total cpu time spent up to now is 118.0 secs Computing kpt #: 256 total cpu time spent up to now is 118.5 secs Computing kpt #: 257 total cpu time spent up to now is 118.9 secs Computing kpt #: 258 total cpu time spent up to now is 119.3 secs Computing kpt #: 259 total cpu time spent up to now is 119.9 secs Computing kpt #: 260 total cpu time spent up to now is 120.3 secs Computing kpt #: 261 total cpu time spent up to now is 120.9 secs Computing kpt #: 262 total cpu time spent up to now is 121.3 secs Computing kpt #: 263 total cpu time spent up to now is 121.9 secs Computing kpt #: 264 total cpu time spent up to now is 122.4 secs Computing kpt #: 265 total cpu time spent up to now is 122.9 secs Computing kpt #: 266 total cpu time spent up to now is 123.4 secs Computing kpt #: 267 total cpu time spent up to now is 123.9 secs Computing kpt #: 268 total cpu time spent up to now is 124.4 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 125.9 secs Computing kpt #: 272 total cpu time spent up to now is 126.4 secs Computing kpt #: 273 total cpu time spent up to now is 126.9 secs Computing kpt #: 274 total cpu time spent up to now is 127.4 secs Computing kpt #: 275 total cpu time spent up to now is 127.9 secs Computing kpt #: 276 total cpu time spent up to now is 128.4 secs Computing kpt #: 277 total cpu time spent up to now is 128.9 secs Computing kpt #: 278 total cpu time spent up to now is 129.3 secs Computing kpt #: 279 total cpu time spent up to now is 129.8 secs Computing kpt #: 280 total cpu time spent up to now is 130.2 secs Computing kpt #: 281 total cpu time spent up to now is 130.7 secs Computing kpt #: 282 total cpu time spent up to now is 131.1 secs Computing kpt #: 283 total cpu time spent up to now is 131.5 secs Computing kpt #: 284 total cpu time spent up to now is 131.9 secs Computing kpt #: 285 total cpu time spent up to now is 132.3 secs Computing kpt #: 286 total cpu time spent up to now is 132.7 secs Computing kpt #: 287 total cpu time spent up to now is 133.1 secs Computing kpt #: 288 total cpu time spent up to now is 133.5 secs Computing kpt #: 289 total cpu time spent up to now is 133.9 secs Computing kpt #: 290 total cpu time spent up to now is 134.3 secs Computing kpt #: 291 total cpu time spent up to now is 134.7 secs Computing kpt #: 292 total cpu time spent up to now is 135.1 secs Computing kpt #: 293 total cpu time spent up to now is 135.6 secs Computing kpt #: 294 total cpu time spent up to now is 136.1 secs Computing kpt #: 295 total cpu time spent up to now is 136.5 secs Computing kpt #: 296 total cpu time spent up to now is 136.9 secs Computing kpt #: 297 total cpu time spent up to now is 137.4 secs Computing kpt #: 298 total cpu time spent up to now is 137.9 secs Computing kpt #: 299 total cpu time spent up to now is 138.4 secs Computing kpt #: 300 total cpu time spent up to now is 138.9 secs Computing kpt #: 301 total cpu time spent up to now is 139.3 secs Computing kpt #: 302 total cpu time spent up to now is 139.8 secs Computing kpt #: 303 total cpu time spent up to now is 140.2 secs Computing kpt #: 304 total cpu time spent up to now is 140.7 secs Computing kpt #: 305 total cpu time spent up to now is 141.2 secs Computing kpt #: 306 total cpu time spent up to now is 141.6 secs Computing kpt #: 307 total cpu time spent up to now is 142.1 secs Computing kpt #: 308 total cpu time spent up to now is 142.6 secs Computing kpt #: 309 total cpu time spent up to now is 143.0 secs Computing kpt #: 310 total cpu time spent up to now is 143.5 secs Computing kpt #: 311 total cpu time spent up to now is 143.9 secs Computing kpt #: 312 total cpu time spent up to now is 144.5 secs Computing kpt #: 313 total cpu time spent up to now is 144.9 secs Computing kpt #: 314 total cpu time spent up to now is 145.4 secs Computing kpt #: 315 total cpu time spent up to now is 145.9 secs Computing kpt #: 316 total cpu time spent up to now is 146.5 secs Computing kpt #: 317 total cpu time spent up to now is 146.9 secs Computing kpt #: 318 total cpu time spent up to now is 147.4 secs Computing kpt #: 319 total cpu time spent up to now is 147.9 secs Computing kpt #: 320 total cpu time spent up to now is 148.4 secs Computing kpt #: 321 total cpu time spent up to now is 148.9 secs Computing kpt #: 322 total cpu time spent up to now is 149.4 secs Computing kpt #: 323 total cpu time spent up to now is 149.9 secs Computing kpt #: 324 total cpu time spent up to now is 150.4 secs Computing kpt #: 325 total cpu time spent up to now is 150.9 secs Computing kpt #: 326 total cpu time spent up to now is 151.3 secs Computing kpt #: 327 total cpu time spent up to now is 151.8 secs Computing kpt #: 328 total cpu time spent up to now is 152.3 secs Computing kpt #: 329 total cpu time spent up to now is 152.7 secs Computing kpt #: 330 total cpu time spent up to now is 153.2 secs Computing kpt #: 331 total cpu time spent up to now is 153.7 secs Computing kpt #: 332 total cpu time spent up to now is 154.2 secs Computing kpt #: 333 total cpu time spent up to now is 154.8 secs Computing kpt #: 334 total cpu time spent up to now is 155.4 secs Computing kpt #: 335 total cpu time spent up to now is 155.9 secs Computing kpt #: 336 total cpu time spent up to now is 156.3 secs Computing kpt #: 337 total cpu time spent up to now is 156.7 secs Computing kpt #: 338 total cpu time spent up to now is 157.2 secs Computing kpt #: 339 total cpu time spent up to now is 157.7 secs ethr = 2.78E-08, avg # of iterations = 15.1 total cpu time spent up to now is 157.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4909 PWs) bands (ev): -78.2122 -78.2122 -43.9123 -43.9123 -42.1808 -42.1808 -42.1808 -42.1808 -10.9390 -10.9390 -10.9390 -10.9390 -7.9865 -7.9865 -7.9865 -7.9865 -7.9691 -7.9691 0.8789 0.8789 10.0104 10.0104 10.9022 10.9022 10.9022 10.9022 11.3457 11.3457 11.3457 11.3457 12.6595 12.6595 12.8034 12.8034 12.8034 12.8034 14.5598 14.5598 14.9276 14.9276 15.1411 15.1411 15.1411 15.1411 k = 0.0098-0.0057 0.0080 ( 4909 PWs) bands (ev): -78.2122 -78.2122 -43.9123 -43.9123 -42.1808 -42.1808 -42.1808 -42.1808 -10.9390 -10.9390 -10.9389 -10.9389 -7.9866 -7.9866 -7.9865 -7.9865 -7.9691 -7.9691 0.8801 0.8801 10.0077 10.0077 10.8946 10.8946 10.9043 10.9043 11.3429 11.3429 11.3530 11.3530 12.6556 12.6556 12.7996 12.7996 12.8021 12.8021 14.5561 14.5561 14.9271 14.9271 15.1354 15.1354 15.1440 15.1440 k = 0.0196-0.0113 0.0160 ( 4909 PWs) bands (ev): -78.2122 -78.2122 -43.9123 -43.9123 -42.1808 -42.1808 -42.1808 -42.1808 -10.9390 -10.9390 -10.9389 -10.9389 -7.9865 -7.9865 -7.9864 -7.9864 -7.9690 -7.9690 0.8837 0.8837 9.9994 9.9994 10.8779 10.8779 10.9055 10.9055 11.3431 11.3431 11.3660 11.3660 12.6441 12.6441 12.7882 12.7882 12.7980 12.7980 14.5447 14.5447 14.9269 14.9269 15.1283 15.1283 15.1447 15.1447 k = 0.0294-0.0170 0.0240 ( 4893 PWs) bands (ev): -78.2118 -78.2118 -43.9122 -43.9122 -42.1807 -42.1807 -42.1806 -42.1806 -10.9390 -10.9390 -10.9388 -10.9388 -7.9865 -7.9865 -7.9862 -7.9862 -7.9689 -7.9689 0.8896 0.8896 9.9856 9.9856 10.8532 10.8532 10.9074 10.9074 11.3453 11.3453 11.3850 11.3850 12.6257 12.6257 12.7698 12.7698 12.7910 12.7910 14.5251 14.5251 14.9305 14.9305 15.1230 15.1230 15.1444 15.1444 k = 0.0392-0.0226 0.0320 ( 4893 PWs) bands (ev): -78.2118 -78.2118 -43.9122 -43.9122 -42.1807 -42.1807 -42.1806 -42.1806 -10.9390 -10.9390 -10.9386 -10.9386 -7.9865 -7.9865 -7.9860 -7.9860 -7.9688 -7.9688 0.8979 0.8979 9.9656 9.9656 10.8223 10.8223 10.9095 10.9095 11.3487 11.3487 11.4063 11.4063 12.6010 12.6010 12.7450 12.7450 12.7807 12.7807 14.4970 14.4970 14.9408 14.9408 15.1197 15.1197 15.1433 15.1433 k = 0.0490-0.0283 0.0400 ( 4865 PWs) bands (ev): -78.2111 -78.2111 -43.9120 -43.9120 -42.1807 -42.1807 -42.1804 -42.1804 -10.9389 -10.9389 -10.9385 -10.9385 -7.9864 -7.9864 -7.9857 -7.9857 -7.9687 -7.9687 0.9085 0.9085 9.9394 9.9394 10.7883 10.7883 10.9131 10.9131 11.3537 11.3537 11.4304 11.4304 12.5712 12.5712 12.7147 12.7147 12.7672 12.7672 14.4630 14.4630 14.9596 14.9596 15.1203 15.1203 15.1435 15.1435 k = 0.0588-0.0340 0.0480 ( 4873 PWs) bands (ev): -78.2113 -78.2113 -43.9121 -43.9121 -42.1807 -42.1807 -42.1805 -42.1805 -10.9389 -10.9389 -10.9383 -10.9383 -7.9863 -7.9863 -7.9853 -7.9853 -7.9685 -7.9685 0.9214 0.9214 9.9059 9.9059 10.7521 10.7521 10.9158 10.9158 11.3593 11.3593 11.4539 11.4539 12.5367 12.5367 12.6799 12.6799 12.7502 12.7502 14.4242 14.4242 14.9845 14.9845 15.1211 15.1211 15.1468 15.1468 k = 0.0686-0.0396 0.0560 ( 4873 PWs) bands (ev): -78.2113 -78.2113 -43.9121 -43.9121 -42.1807 -42.1807 -42.1805 -42.1805 -10.9388 -10.9388 -10.9380 -10.9380 -7.9862 -7.9862 -7.9849 -7.9849 -7.9684 -7.9684 0.9365 0.9365 9.8654 9.8654 10.7162 10.7162 10.9194 10.9194 11.3661 11.3661 11.4771 11.4771 12.4985 12.4985 12.6417 12.6417 12.7302 12.7302 14.3840 14.3840 15.0131 15.0131 15.1201 15.1201 15.1588 15.1588 k = 0.0784-0.0453 0.0640 ( 4873 PWs) bands (ev): -78.2113 -78.2113 -43.9121 -43.9121 -42.1807 -42.1807 -42.1805 -42.1805 -10.9388 -10.9388 -10.9378 -10.9378 -7.9861 -7.9861 -7.9845 -7.9845 -7.9681 -7.9681 0.9538 0.9538 9.8177 9.8177 10.6817 10.6817 10.9236 10.9236 11.3738 11.3738 11.4990 11.4990 12.4575 12.4575 12.6013 12.6013 12.7073 12.7073 14.3443 14.3443 15.0410 15.0410 15.1167 15.1167 15.1824 15.1824 k = 0.0882-0.0509 0.0720 ( 4845 PWs) bands (ev): -78.2107 -78.2107 -43.9119 -43.9119 -42.1805 -42.1805 -42.1804 -42.1804 -10.9387 -10.9387 -10.9375 -10.9375 -7.9860 -7.9860 -7.9840 -7.9840 -7.9679 -7.9679 0.9732 0.9732 9.7631 9.7631 10.6501 10.6501 10.9288 10.9288 11.3841 11.3841 11.5202 11.5202 12.4144 12.4144 12.5596 12.5596 12.6820 12.6820 14.3067 14.3067 15.0649 15.0649 15.1129 15.1129 15.2192 15.2192 k = 0.0980-0.0566 0.0800 ( 4853 PWs) bands (ev): -78.2109 -78.2109 -43.9119 -43.9119 -42.1805 -42.1805 -42.1805 -42.1805 -10.9387 -10.9387 -10.9371 -10.9371 -7.9858 -7.9858 -7.9834 -7.9834 -7.9676 -7.9676 0.9947 0.9947 9.7014 9.7014 10.6207 10.6207 10.9338 10.9338 11.3938 11.3938 11.5376 11.5376 12.3699 12.3699 12.5173 12.5173 12.6545 12.6545 14.2703 14.2703 15.0823 15.0823 15.1083 15.1083 15.2660 15.2660 k = 0.1078-0.0623 0.0881 ( 4853 PWs) bands (ev): -78.2109 -78.2109 -43.9119 -43.9119 -42.1805 -42.1805 -42.1805 -42.1805 -10.9386 -10.9386 -10.9368 -10.9368 -7.9857 -7.9857 -7.9829 -7.9829 -7.9673 -7.9673 1.0181 1.0181 9.6338 9.6338 10.5944 10.5944 10.9395 10.9395 11.4045 11.4045 11.5527 11.5527 12.3251 12.3251 12.4753 12.4753 12.6253 12.6253 14.2363 14.2363 15.0891 15.0891 15.1107 15.1107 15.3212 15.3212 k = 0.1176-0.0679 0.0961 ( 4857 PWs) bands (ev): -78.2110 -78.2110 -43.9119 -43.9119 -42.1805 -42.1805 -42.1805 -42.1805 -10.9385 -10.9385 -10.9364 -10.9364 -7.9856 -7.9856 -7.9823 -7.9823 -7.9669 -7.9669 1.0434 1.0434 9.5609 9.5609 10.5711 10.5711 10.9458 10.9458 11.4161 11.4161 11.5643 11.5643 12.2807 12.2807 12.4338 12.4338 12.5948 12.5948 14.2042 14.2042 15.0841 15.0841 15.1227 15.1227 15.3817 15.3817 k = 0.1275-0.0736 0.1041 ( 4841 PWs) bands (ev): -78.2106 -78.2106 -43.9118 -43.9118 -42.1805 -42.1805 -42.1804 -42.1804 -10.9385 -10.9385 -10.9361 -10.9361 -7.9854 -7.9854 -7.9817 -7.9817 -7.9665 -7.9665 1.0705 1.0705 9.4840 9.4840 10.5509 10.5509 10.9529 10.9529 11.4291 11.4291 11.5730 11.5730 12.2381 12.2381 12.3935 12.3935 12.5633 12.5633 14.1756 14.1756 15.0760 15.0760 15.1371 15.1371 15.4456 15.4456 k = 0.1373-0.0792 0.1121 ( 4845 PWs) bands (ev): -78.2107 -78.2107 -43.9119 -43.9119 -42.1805 -42.1805 -42.1804 -42.1804 -10.9384 -10.9384 -10.9357 -10.9357 -7.9853 -7.9853 -7.9811 -7.9811 -7.9661 -7.9661 1.0993 1.0993 9.4037 9.4037 10.5327 10.5327 10.9599 10.9599 11.4425 11.4425 11.5768 11.5768 12.1977 12.1977 12.3543 12.3543 12.5312 12.5312 14.1482 14.1482 15.0661 15.0661 15.1523 15.1523 15.5106 15.5106 k = 0.1471-0.0849 0.1201 ( 4845 PWs) bands (ev): -78.2107 -78.2107 -43.9118 -43.9118 -42.1805 -42.1805 -42.1804 -42.1804 -10.9383 -10.9383 -10.9353 -10.9353 -7.9852 -7.9852 -7.9805 -7.9805 -7.9657 -7.9657 1.1297 1.1297 9.3212 9.3212 10.5169 10.5169 10.9676 10.9676 11.4566 11.4566 11.5758 11.5758 12.1607 12.1607 12.3166 12.3166 12.4989 12.4989 14.1228 14.1228 15.0552 15.0552 15.1682 15.1682 15.5761 15.5761 k = 0.1569-0.0906 0.1281 ( 4845 PWs) bands (ev): -78.2107 -78.2107 -43.9118 -43.9118 -42.1805 -42.1805 -42.1804 -42.1804 -10.9382 -10.9382 -10.9349 -10.9349 -7.9850 -7.9850 -7.9799 -7.9799 -7.9653 -7.9652 1.1615 1.1615 9.2374 9.2374 10.5029 10.5029 10.9757 10.9757 11.4716 11.4716 11.5696 11.5696 12.1277 12.1277 12.2805 12.2805 12.4666 12.4666 14.0992 14.0992 15.0436 15.0436 15.1850 15.1850 15.6408 15.6408 k = 0.1667-0.0962 0.1361 ( 4833 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9118 -42.1804 -42.1804 -42.1804 -42.1804 -10.9381 -10.9381 -10.9345 -10.9345 -7.9849 -7.9849 -7.9793 -7.9793 -7.9648 -7.9648 1.1946 1.1946 9.1533 9.1533 10.4907 10.4907 10.9844 10.9844 11.4878 11.4878 11.5584 11.5584 12.0995 12.0995 12.2462 12.2462 12.4346 12.4346 14.0776 14.0776 15.0316 15.0316 15.2029 15.2029 15.7040 15.7040 k = 0.1765-0.1019 0.1441 ( 4837 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9118 -42.1805 -42.1805 -42.1804 -42.1804 -10.9380 -10.9380 -10.9341 -10.9341 -7.9848 -7.9848 -7.9787 -7.9787 -7.9643 -7.9643 1.2289 1.2289 9.0695 9.0696 10.4795 10.4795 10.9931 10.9931 11.5033 11.5033 11.5416 11.5416 12.0758 12.0758 12.2137 12.2137 12.4032 12.4032 14.0570 14.0570 15.0186 15.0186 15.2214 15.2214 15.7642 15.7642 k = 0.1863-0.1075 0.1521 ( 4837 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9118 -42.1805 -42.1805 -42.1803 -42.1803 -10.9379 -10.9379 -10.9337 -10.9337 -7.9846 -7.9846 -7.9781 -7.9781 -7.9637 -7.9637 1.2642 1.2642 8.9870 8.9870 10.4696 10.4696 11.0022 11.0022 11.5103 11.5103 11.5292 11.5292 12.0567 12.0567 12.1830 12.1830 12.3727 12.3727 14.0379 14.0379 15.0048 15.0048 15.2410 15.2410 15.8210 15.8210 k = 0.1961-0.1132 0.1601 ( 4837 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9118 -42.1805 -42.1805 -42.1803 -42.1803 -10.9378 -10.9378 -10.9333 -10.9333 -7.9845 -7.9845 -7.9776 -7.9776 -7.9632 -7.9632 1.3004 1.3004 8.9062 8.9062 10.4606 10.4606 11.0116 11.0116 11.4878 11.4878 11.5422 11.5422 12.0415 12.0415 12.1543 12.1543 12.3432 12.3432 14.0200 14.0200 14.9905 14.9905 15.2617 15.2617 15.8735 15.8735 k = 0.2059-0.1189 0.1681 ( 4845 PWs) bands (ev): -78.2106 -78.2106 -43.9118 -43.9118 -42.1805 -42.1805 -42.1804 -42.1804 -10.9377 -10.9377 -10.9330 -10.9330 -7.9844 -7.9844 -7.9771 -7.9771 -7.9626 -7.9626 1.3373 1.3373 8.8277 8.8277 10.4525 10.4525 11.0212 11.0212 11.4569 11.4569 11.5593 11.5593 12.0294 12.0294 12.1276 12.1276 12.3149 12.3149 14.0029 14.0029 14.9753 14.9753 15.2833 15.2833 15.9210 15.9210 k = 0.2157-0.1245 0.1761 ( 4841 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9118 -42.1805 -42.1805 -42.1804 -42.1804 -10.9376 -10.9376 -10.9326 -10.9326 -7.9843 -7.9843 -7.9766 -7.9766 -7.9620 -7.9620 1.3748 1.3748 8.7522 8.7522 10.4451 10.4451 11.0310 11.0310 11.4234 11.4234 11.5781 11.5781 12.0198 12.0198 12.1029 12.1029 12.2882 12.2882 13.9874 13.9874 14.9599 14.9599 15.3062 15.3062 15.9631 15.9631 k = 0.2255-0.1302 0.1841 ( 4845 PWs) bands (ev): -78.2106 -78.2106 -43.9118 -43.9118 -42.1805 -42.1805 -42.1804 -42.1804 -10.9375 -10.9375 -10.9323 -10.9323 -7.9842 -7.9842 -7.9762 -7.9762 -7.9614 -7.9614 1.4126 1.4126 8.6800 8.6800 10.4382 10.4382 11.0406 11.0406 11.3872 11.3872 11.5973 11.5973 12.0115 12.0115 12.0802 12.0802 12.2630 12.2630 13.9726 13.9726 14.9440 14.9440 15.3299 15.3299 15.9989 15.9989 k = 0.2353-0.1358 0.1921 ( 4841 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9118 -42.1805 -42.1805 -42.1803 -42.1803 -10.9374 -10.9374 -10.9319 -10.9319 -7.9841 -7.9841 -7.9758 -7.9758 -7.9608 -7.9608 1.4506 1.4506 8.6116 8.6116 10.4321 10.4321 11.0508 11.0508 11.3495 11.3495 11.6171 11.6171 12.0038 12.0038 12.0601 12.0601 12.2397 12.2397 13.9586 13.9586 14.9277 14.9277 15.3545 15.3545 16.0287 16.0287 k = 0.2451-0.1415 0.2001 ( 4833 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1804 -42.1804 -42.1803 -42.1803 -10.9373 -10.9373 -10.9316 -10.9316 -7.9840 -7.9840 -7.9754 -7.9754 -7.9602 -7.9602 1.4886 1.4886 8.5472 8.5472 10.4265 10.4265 11.0607 11.0607 11.3114 11.3114 11.6373 11.6373 11.9959 11.9959 12.0424 12.0424 12.2185 12.2185 13.9457 13.9457 14.9110 14.9110 15.3803 15.3803 16.0519 16.0519 k = 0.2549-0.1472 0.2081 ( 4833 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1805 -42.1805 -42.1803 -42.1803 -10.9372 -10.9372 -10.9313 -10.9313 -7.9840 -7.9840 -7.9751 -7.9751 -7.9596 -7.9596 1.5265 1.5265 8.4872 8.4872 10.4212 10.4212 11.0701 11.0701 11.2729 11.2729 11.6576 11.6576 11.9868 11.9868 12.0270 12.0270 12.1992 12.1992 13.9333 13.9333 14.8940 14.8940 15.4068 15.4068 16.0681 16.0681 k = 0.2647-0.1528 0.2161 ( 4833 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1805 -42.1805 -42.1803 -42.1803 -10.9371 -10.9371 -10.9311 -10.9311 -7.9839 -7.9839 -7.9749 -7.9749 -7.9590 -7.9590 1.5640 1.5640 8.4317 8.4317 10.4163 10.4163 11.0789 11.0789 11.2348 11.2348 11.6781 11.6781 11.9763 11.9763 12.0141 12.0141 12.1822 12.1822 13.9215 13.9215 14.8766 14.8766 15.4340 15.4340 16.0778 16.0778 k = 0.2745-0.1585 0.2241 ( 4837 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1805 -42.1805 -42.1803 -42.1803 -10.9370 -10.9370 -10.9309 -10.9309 -7.9838 -7.9838 -7.9747 -7.9747 -7.9584 -7.9584 1.6011 1.6011 8.3809 8.3809 10.4117 10.4117 11.0863 11.0863 11.1981 11.1981 11.6984 11.6984 11.9646 11.9646 12.0029 12.0029 12.1673 12.1673 13.9107 13.9107 14.8589 14.8589 15.4620 15.4620 16.0809 16.0809 k = 0.2843-0.1641 0.2321 ( 4837 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1805 -42.1805 -42.1803 -42.1803 -10.9369 -10.9369 -10.9306 -10.9306 -7.9838 -7.9838 -7.9746 -7.9746 -7.9578 -7.9578 1.6374 1.6374 8.3351 8.3351 10.4077 10.4077 11.0914 11.0914 11.1642 11.1642 11.7187 11.7187 11.9523 11.9523 11.9929 11.9929 12.1549 12.1549 13.9002 13.9002 14.8412 14.8412 15.4905 15.4905 16.0782 16.0782 k = 0.2941-0.1698 0.2401 ( 4837 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1805 -42.1805 -42.1803 -42.1803 -10.9368 -10.9368 -10.9305 -10.9305 -7.9837 -7.9837 -7.9745 -7.9745 -7.9572 -7.9572 1.6729 1.6729 8.2941 8.2941 10.4040 10.4040 11.0881 11.0881 11.1392 11.1392 11.7388 11.7388 11.9397 11.9397 11.9834 11.9834 12.1449 12.1449 13.8902 13.8902 14.8233 14.8233 15.5194 15.5194 16.0701 16.0701 k = 0.3039-0.1755 0.2482 ( 4837 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1805 -42.1805 -42.1803 -42.1803 -10.9367 -10.9367 -10.9303 -10.9303 -7.9837 -7.9837 -7.9744 -7.9744 -7.9566 -7.9566 1.7074 1.7074 8.2582 8.2582 10.4007 10.4007 11.0677 11.0677 11.1318 11.1318 11.7582 11.7582 11.9270 11.9270 11.9741 11.9741 12.1373 12.1373 13.8809 13.8809 14.8055 14.8055 15.5485 15.5485 16.0570 16.0570 k = 0.3137-0.1811 0.2562 ( 4841 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9117 -42.1805 -42.1805 -42.1803 -42.1803 -10.9366 -10.9366 -10.9302 -10.9302 -7.9837 -7.9837 -7.9744 -7.9744 -7.9560 -7.9560 1.7408 1.7408 8.2272 8.2272 10.3977 10.3977 11.0378 11.0378 11.1345 11.1345 11.7764 11.7764 11.9142 11.9142 11.9649 11.9649 12.1320 12.1320 13.8721 13.8721 14.7875 14.7875 15.5776 15.5776 16.0394 16.0394 k = 0.3235-0.1868 0.2642 ( 4861 PWs) bands (ev): -78.2108 -78.2108 -43.9118 -43.9118 -42.1806 -42.1806 -42.1803 -42.1803 -10.9365 -10.9365 -10.9300 -10.9300 -7.9836 -7.9836 -7.9744 -7.9744 -7.9554 -7.9554 1.7728 1.7728 8.2010 8.2010 10.3949 10.3949 11.0058 11.0058 11.1392 11.1392 11.7929 11.7929 11.9011 11.9011 11.9559 11.9559 12.1287 12.1287 13.8625 13.8625 14.7698 14.7698 15.6062 15.6062 16.0181 16.0181 k = 0.3333-0.1925 0.2722 ( 4852 PWs) bands (ev): -78.2106 -78.2106 -43.9117 -43.9117 -42.1806 -42.1806 -42.1803 -42.1803 -10.9364 -10.9364 -10.9299 -10.9299 -7.9836 -7.9836 -7.9745 -7.9745 -7.9549 -7.9549 1.8035 1.8035 8.1797 8.1797 10.3928 10.3928 10.9746 10.9746 11.1454 11.1454 11.8060 11.8060 11.8901 11.8901 11.9489 11.9489 12.1281 12.1281 13.8547 13.8547 14.7523 14.7523 15.6345 15.6345 15.9947 15.9947 k = 0.3431-0.1981 0.2802 ( 4864 PWs) bands (ev): -78.2109 -78.2109 -43.9118 -43.9118 -42.1807 -42.1807 -42.1803 -42.1803 -10.9364 -10.9364 -10.9299 -10.9299 -7.9836 -7.9836 -7.9746 -7.9746 -7.9543 -7.9543 1.8327 1.8327 8.1628 8.1628 10.3909 10.3909 10.9441 10.9441 11.1506 11.1506 11.8123 11.8123 11.8820 11.8820 11.9431 11.9431 12.1290 12.1290 13.8466 13.8466 14.7350 14.7350 15.6616 15.6616 15.9690 15.9690 k = 0.3529-0.2038 0.2882 ( 4848 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9117 -42.1806 -42.1806 -42.1803 -42.1803 -10.9363 -10.9363 -10.9298 -10.9298 -7.9835 -7.9835 -7.9748 -7.9748 -7.9538 -7.9538 1.8603 1.8603 8.1504 8.1504 10.3897 10.3897 10.9152 10.9152 11.1566 11.1566 11.8084 11.8084 11.8813 11.8813 11.9407 11.9407 12.1325 12.1325 13.8399 13.8399 14.7182 14.7182 15.6872 15.6872 15.9431 15.9431 k = 0.3627-0.2094 0.2962 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1806 -42.1806 -42.1802 -42.1802 -10.9362 -10.9362 -10.9298 -10.9298 -7.9835 -7.9835 -7.9749 -7.9749 -7.9533 -7.9533 1.8863 1.8863 8.1420 8.1420 10.3887 10.3887 10.8878 10.8878 11.1616 11.1616 11.7949 11.7949 11.8852 11.8852 11.9416 11.9416 12.1372 12.1372 13.8332 13.8332 14.7019 14.7019 15.7099 15.7099 15.9176 15.9176 k = 0.3725-0.2151 0.3042 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1806 -42.1806 -42.1802 -42.1802 -10.9361 -10.9361 -10.9297 -10.9297 -7.9835 -7.9835 -7.9751 -7.9751 -7.9529 -7.9529 1.9105 1.9105 8.1372 8.1372 10.3880 10.3880 10.8619 10.8619 11.1659 11.1659 11.7753 11.7753 11.8895 11.8895 11.9466 11.9466 12.1432 12.1432 13.8264 13.8264 14.6861 14.6861 15.7280 15.7280 15.8943 15.8943 k = 0.3824-0.2208 0.3122 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1806 -42.1806 -42.1802 -42.1802 -10.9361 -10.9361 -10.9297 -10.9297 -7.9835 -7.9835 -7.9753 -7.9753 -7.9525 -7.9525 1.9329 1.9329 8.1357 8.1357 10.3877 10.3877 10.8377 10.8377 11.1697 11.1697 11.7522 11.7522 11.8922 11.8922 11.9551 11.9551 12.1502 12.1502 13.8204 13.8204 14.6710 14.6710 15.7388 15.7388 15.8764 15.8764 k = 0.3922-0.2264 0.3202 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1806 -42.1806 -42.1802 -42.1802 -10.9360 -10.9360 -10.9297 -10.9297 -7.9835 -7.9835 -7.9755 -7.9755 -7.9521 -7.9521 1.9535 1.9535 8.1371 8.1371 10.3877 10.3877 10.8153 10.8153 11.1730 11.1730 11.7271 11.7271 11.8937 11.8937 11.9659 11.9659 12.1581 12.1581 13.8148 13.8148 14.6565 14.6565 15.7392 15.7392 15.8664 15.8664 k = 0.4020-0.2321 0.3282 ( 4828 PWs) bands (ev): -78.2100 -78.2100 -43.9115 -43.9115 -42.1806 -42.1806 -42.1801 -42.1801 -10.9359 -10.9359 -10.9297 -10.9297 -7.9834 -7.9834 -7.9757 -7.9757 -7.9517 -7.9517 1.9723 1.9723 8.1409 8.1409 10.3881 10.3881 10.7947 10.7947 11.1762 11.1762 11.7013 11.7013 11.8951 11.8951 11.9782 11.9782 12.1668 12.1668 13.8097 13.8097 14.6430 14.6430 15.7295 15.7295 15.8624 15.8624 k = 0.4118-0.2377 0.3362 ( 4828 PWs) bands (ev): -78.2100 -78.2100 -43.9115 -43.9115 -42.1806 -42.1806 -42.1801 -42.1801 -10.9359 -10.9359 -10.9297 -10.9297 -7.9834 -7.9834 -7.9759 -7.9759 -7.9513 -7.9513 1.9893 1.9893 8.1466 8.1466 10.3887 10.3887 10.7759 10.7759 11.1786 11.1786 11.6748 11.6748 11.8957 11.8957 11.9900 11.9900 12.1755 12.1755 13.8051 13.8051 14.6304 14.6304 15.7130 15.7130 15.8490 15.8490 k = 0.4216-0.2434 0.3442 ( 4828 PWs) bands (ev): -78.2100 -78.2100 -43.9115 -43.9115 -42.1806 -42.1806 -42.1801 -42.1801 -10.9358 -10.9358 -10.9297 -10.9297 -7.9834 -7.9834 -7.9761 -7.9761 -7.9510 -7.9510 2.0044 2.0044 8.1536 8.1536 10.3896 10.3896 10.7590 10.7590 11.1806 11.1806 11.6488 11.6488 11.8963 11.8963 12.0015 12.0015 12.1842 12.1842 13.8006 13.8006 14.6189 14.6189 15.6938 15.6938 15.8158 15.8158 k = 0.4314-0.2491 0.3522 ( 4828 PWs) bands (ev): -78.2100 -78.2100 -43.9115 -43.9115 -42.1806 -42.1806 -42.1801 -42.1801 -10.9358 -10.9358 -10.9298 -10.9298 -7.9834 -7.9834 -7.9763 -7.9763 -7.9508 -7.9508 2.0177 2.0177 8.1614 8.1614 10.3905 10.3905 10.7444 10.7444 11.1817 11.1817 11.6240 11.6240 11.8963 11.8963 12.0123 12.0123 12.1922 12.1922 13.7981 13.7981 14.6084 14.6084 15.6741 15.6741 15.7796 15.7796 k = 0.4412-0.2547 0.3602 ( 4828 PWs) bands (ev): -78.2100 -78.2100 -43.9115 -43.9115 -42.1806 -42.1806 -42.1801 -42.1801 -10.9357 -10.9357 -10.9298 -10.9298 -7.9834 -7.9834 -7.9765 -7.9765 -7.9505 -7.9505 2.0292 2.0292 8.1696 8.1696 10.3916 10.3916 10.7314 10.7314 11.1829 11.1829 11.6006 11.6006 11.8970 11.8970 12.0218 12.0218 12.2000 12.2000 13.7948 13.7948 14.5992 14.5992 15.6561 15.6561 15.7463 15.7463 k = 0.4510-0.2604 0.3682 ( 4832 PWs) bands (ev): -78.2101 -78.2101 -43.9116 -43.9116 -42.1806 -42.1806 -42.1801 -42.1801 -10.9357 -10.9357 -10.9298 -10.9298 -7.9834 -7.9834 -7.9766 -7.9766 -7.9503 -7.9503 2.0389 2.0389 8.1774 8.1774 10.3927 10.3927 10.7202 10.7202 11.1839 11.1839 11.5794 11.5794 11.8978 11.8978 12.0301 12.0301 12.2070 12.2070 13.7914 13.7914 14.5913 14.5913 15.6402 15.6402 15.7169 15.7169 k = 0.4608-0.2660 0.3762 ( 4832 PWs) bands (ev): -78.2101 -78.2101 -43.9116 -43.9116 -42.1806 -42.1806 -42.1801 -42.1801 -10.9357 -10.9357 -10.9298 -10.9298 -7.9834 -7.9834 -7.9767 -7.9767 -7.9502 -7.9502 2.0468 2.0468 8.1846 8.1846 10.3938 10.3938 10.7111 10.7111 11.1846 11.1846 11.5612 11.5612 11.8985 11.8985 12.0370 12.0370 12.2131 12.2131 13.7891 13.7891 14.5847 14.5847 15.6271 15.6271 15.6919 15.6919 k = 0.4706-0.2717 0.3842 ( 4832 PWs) bands (ev): -78.2101 -78.2101 -43.9116 -43.9116 -42.1806 -42.1806 -42.1801 -42.1801 -10.9357 -10.9357 -10.9298 -10.9298 -7.9834 -7.9834 -7.9768 -7.9768 -7.9500 -7.9500 2.0529 2.0529 8.1907 8.1907 10.3948 10.3948 10.7041 10.7041 11.1852 11.1852 11.5463 11.5463 11.8992 11.8992 12.0425 12.0425 12.2180 12.2180 13.7873 13.7873 14.5795 14.5795 15.6169 15.6169 15.6718 15.6718 k = 0.4804-0.2774 0.3922 ( 4828 PWs) bands (ev): -78.2100 -78.2100 -43.9115 -43.9115 -42.1806 -42.1806 -42.1800 -42.1800 -10.9357 -10.9357 -10.9298 -10.9298 -7.9834 -7.9834 -7.9769 -7.9769 -7.9499 -7.9499 2.0572 2.0572 8.1953 8.1953 10.3956 10.3956 10.6991 10.6991 11.1856 11.1856 11.5358 11.5358 11.8998 11.8998 12.0465 12.0465 12.2217 12.2217 13.7861 13.7861 14.5757 14.5757 15.6099 15.6099 15.6569 15.6569 k = 0.4902-0.2830 0.4002 ( 4816 PWs) bands (ev): -78.2097 -78.2097 -43.9114 -43.9114 -42.1805 -42.1805 -42.1800 -42.1800 -10.9356 -10.9356 -10.9299 -10.9299 -7.9834 -7.9834 -7.9770 -7.9770 -7.9499 -7.9499 2.0598 2.0598 8.1982 8.1982 10.3962 10.3962 10.6961 10.6961 11.1863 11.1863 11.5291 11.5291 11.9007 11.9007 12.0491 12.0491 12.2242 12.2242 13.7860 13.7860 14.5735 14.5735 15.6061 15.6061 15.6479 15.6479 k = 0.5000-0.2887 0.4082 ( 4824 PWs) bands (ev): -78.2099 -78.2099 -43.9115 -43.9115 -42.1806 -42.1806 -42.1800 -42.1800 -10.9356 -10.9356 -10.9299 -10.9299 -7.9834 -7.9834 -7.9770 -7.9770 -7.9499 -7.9499 2.0607 2.0607 8.1991 8.1991 10.3963 10.3963 10.6950 10.6950 11.1861 11.1861 11.5269 11.5269 11.9006 11.9006 12.0499 12.0499 12.2248 12.2248 13.7848 13.7848 14.5727 14.5727 15.6047 15.6047 15.6447 15.6447 k = 0.5000-0.2887 0.4082 ( 4824 PWs) bands (ev): -78.2099 -78.2099 -43.9115 -43.9115 -42.1806 -42.1806 -42.1800 -42.1800 -10.9356 -10.9356 -10.9299 -10.9299 -7.9834 -7.9834 -7.9770 -7.9770 -7.9499 -7.9499 2.0607 2.0607 8.1991 8.1991 10.3963 10.3963 10.6950 10.6950 11.1861 11.1861 11.5269 11.5269 11.9006 11.9006 12.0499 12.0499 12.2248 12.2248 13.7848 13.7848 14.5727 14.5727 15.6047 15.6047 15.6447 15.6447 k = 0.5000-0.2776 0.4161 ( 4826 PWs) bands (ev): -78.2100 -78.2100 -43.9115 -43.9115 -42.1806 -42.1806 -42.1800 -42.1800 -10.9357 -10.9356 -10.9299 -10.9298 -7.9833 -7.9833 -7.9771 -7.9769 -7.9499 -7.9498 2.0610 2.0612 8.1962 8.2031 10.3805 10.3863 10.6894 10.7118 11.1879 11.1883 11.5247 11.5289 11.8988 11.9023 12.0431 12.0554 12.2219 12.2264 13.7805 13.7914 14.5767 14.5776 15.6005 15.6072 15.6426 15.6457 k = 0.5000-0.2665 0.4240 ( 4834 PWs) bands (ev): -78.2102 -78.2102 -43.9116 -43.9115 -42.1807 -42.1806 -42.1801 -42.1801 -10.9357 -10.9355 -10.9300 -10.9298 -7.9833 -7.9833 -7.9771 -7.9768 -7.9500 -7.9498 2.0620 2.0626 8.1944 8.2082 10.3451 10.3518 10.6944 10.7326 11.1933 11.1951 11.5228 11.5312 11.8964 11.9033 12.0351 12.0597 12.2176 12.2264 13.7789 13.8008 14.5893 14.5911 15.5953 15.6069 15.6398 15.6452 k = 0.5000-0.2554 0.4318 ( 4834 PWs) bands (ev): -78.2102 -78.2102 -43.9116 -43.9115 -42.1806 -42.1806 -42.1801 -42.1801 -10.9356 -10.9354 -10.9300 -10.9297 -7.9831 -7.9831 -7.9772 -7.9767 -7.9501 -7.9498 2.0639 2.0647 8.1937 8.2145 10.2978 10.3003 10.7017 10.7482 11.2038 11.2090 11.5217 11.5339 11.8944 11.9045 12.0260 12.0628 12.2135 12.2258 13.7801 13.8131 14.6096 14.6121 15.5899 15.6032 15.6371 15.6433 k = 0.5000-0.2443 0.4397 ( 4834 PWs) bands (ev): -78.2102 -78.2102 -43.9116 -43.9115 -42.1807 -42.1806 -42.1801 -42.1801 -10.9356 -10.9353 -10.9301 -10.9297 -7.9829 -7.9829 -7.9772 -7.9766 -7.9502 -7.9498 2.0665 2.0677 8.1940 8.2219 10.2386 10.2433 10.7037 10.7524 11.2202 11.2311 11.5213 11.5370 11.8920 11.9052 12.0161 12.0646 12.2107 12.2252 13.7835 13.8278 14.6360 14.6393 15.5841 15.5958 15.6348 15.6399 k = 0.5000-0.2332 0.4475 ( 4834 PWs) bands (ev): -78.2102 -78.2102 -43.9116 -43.9115 -42.1807 -42.1805 -42.1801 -42.1801 -10.9355 -10.9352 -10.9301 -10.9296 -7.9827 -7.9827 -7.9772 -7.9765 -7.9503 -7.9498 2.0699 2.0713 8.1953 8.2304 10.1710 10.1847 10.6961 10.7425 11.2431 11.2614 11.5215 11.5401 11.8893 11.9053 12.0055 12.0644 12.2108 12.2253 13.7897 13.8453 14.6670 14.6709 15.5778 15.5847 15.6329 15.6351 k = 0.5000-0.2221 0.4554 ( 4842 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1807 -42.1806 -42.1802 -42.1801 -10.9354 -10.9350 -10.9302 -10.9296 -7.9824 -7.9824 -7.9771 -7.9764 -7.9505 -7.9499 2.0740 2.0756 8.1974 8.2401 10.1003 10.1239 10.6772 10.7190 11.2717 11.2976 11.5222 11.5431 11.8860 11.9047 11.9938 12.0610 12.2151 12.2263 13.7985 13.8655 14.7008 14.7053 15.5704 15.5704 15.6290 15.6311 k = 0.5000-0.2110 0.4632 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9116 -42.1808 -42.1806 -42.1802 -42.1802 -10.9353 -10.9349 -10.9302 -10.9296 -7.9822 -7.9820 -7.9771 -7.9762 -7.9506 -7.9499 2.0787 2.0806 8.2005 8.2509 10.0279 10.0622 10.6478 10.6838 11.3051 11.3375 11.5231 11.5459 11.8822 11.9033 11.9825 12.0556 12.2246 12.2291 13.8103 13.8885 14.7360 14.7411 15.5532 15.5616 15.6222 15.6294 k = 0.5000-0.1999 0.4711 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9116 -42.1808 -42.1806 -42.1802 -42.1801 -10.9352 -10.9347 -10.9303 -10.9295 -7.9818 -7.9817 -7.9770 -7.9761 -7.9508 -7.9500 2.0839 2.0861 8.2044 8.2628 9.9550 10.0004 10.6093 10.6397 11.3416 11.3786 11.5250 11.5488 11.8779 11.9014 11.9725 12.0492 12.2339 12.2394 13.8255 13.9146 14.7715 14.7771 15.5331 15.5508 15.6149 15.6277 k = 0.5000-0.1887 0.4789 ( 4846 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9115 -42.1808 -42.1805 -42.1802 -42.1801 -10.9350 -10.9345 -10.9304 -10.9295 -7.9815 -7.9813 -7.9768 -7.9759 -7.9510 -7.9501 2.0897 2.0922 8.2090 8.2759 9.8823 9.9393 10.5637 10.5888 11.3791 11.4182 11.5281 11.5520 11.8739 11.8996 11.9633 12.0415 12.2407 12.2591 13.8440 13.9435 14.8064 14.8127 15.5103 15.5376 15.6076 15.6262 k = 0.5000-0.1776 0.4868 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1805 -42.1802 -42.1802 -10.9348 -10.9343 -10.9304 -10.9295 -7.9813 -7.9809 -7.9766 -7.9757 -7.9512 -7.9502 2.0959 2.0986 8.2144 8.2899 9.8104 9.8793 10.5127 10.5329 11.4160 11.4536 11.5331 11.5549 11.8689 11.8968 11.9549 12.0331 12.2492 12.2827 13.8660 13.9752 14.8403 14.8472 15.4845 15.5215 15.6001 15.6245 k = 0.5000-0.1665 0.4946 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1805 -42.1802 -42.1802 -10.9347 -10.9340 -10.9305 -10.9295 -7.9810 -7.9804 -7.9764 -7.9755 -7.9514 -7.9503 2.1024 2.1054 8.2203 8.3050 9.7399 9.8211 10.4580 10.4739 11.4511 11.4816 11.5435 11.5589 11.8640 11.8940 11.9478 12.0246 12.2593 12.3096 13.8916 14.0097 14.8729 14.8806 15.4559 15.5025 15.5926 15.6226 k = 0.5000-0.1554 0.5025 ( 4846 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9115 -42.1808 -42.1805 -42.1802 -42.1801 -10.9345 -10.9338 -10.9305 -10.9295 -7.9808 -7.9800 -7.9761 -7.9752 -7.9516 -7.9505 2.1092 2.1124 8.2266 8.3211 9.6711 9.7650 10.4011 10.4131 11.4828 11.4988 11.5617 11.5645 11.8596 11.8912 11.9416 12.0163 12.2709 12.3390 13.9213 14.0472 14.9043 14.9128 15.4244 15.4807 15.5851 15.6205 k = 0.5000-0.1443 0.5103 ( 4840 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1807 -42.1804 -42.1802 -42.1801 -10.9343 -10.9335 -10.9306 -10.9295 -7.9806 -7.9796 -7.9757 -7.9750 -7.9519 -7.9506 2.1161 2.1195 8.2334 8.3380 9.6044 9.7115 10.3433 10.3517 11.5075 11.5089 11.5733 11.5855 11.8553 11.8885 11.9362 12.0083 12.2838 12.3699 13.9551 14.0873 14.9345 14.9438 15.3900 15.4559 15.5771 15.6180 k = 0.5000-0.1332 0.5182 ( 4836 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9114 -42.1807 -42.1804 -42.1801 -42.1801 -10.9341 -10.9333 -10.9307 -10.9295 -7.9804 -7.9792 -7.9752 -7.9747 -7.9521 -7.9508 2.1230 2.1267 8.2404 8.3557 9.5401 9.6609 10.2856 10.2909 11.5120 11.5269 11.5874 11.6103 11.8513 11.8855 11.9314 12.0006 12.2975 12.4014 13.9929 14.1301 14.9635 14.9738 15.3526 15.4284 15.5686 15.6150 k = 0.5000-0.1221 0.5260 ( 4836 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9114 -42.1807 -42.1804 -42.1801 -42.1801 -10.9339 -10.9330 -10.9307 -10.9295 -7.9803 -7.9789 -7.9747 -7.9744 -7.9524 -7.9510 2.1299 2.1338 8.2475 8.3741 9.4786 9.6135 10.2290 10.2315 11.5145 11.5370 11.6058 11.6337 11.8480 11.8826 11.9265 11.9928 12.3116 12.4326 14.0347 14.1751 14.9913 15.0027 15.3121 15.3983 15.5594 15.6114 k = 0.5000-0.1110 0.5339 ( 4840 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9337 -10.9328 -10.9308 -10.9295 -7.9802 -7.9786 -7.9742 -7.9740 -7.9526 -7.9511 2.1367 2.1407 8.2545 8.3929 9.4202 9.5696 10.1743 10.1745 11.5162 11.5425 11.6259 11.6552 11.8452 11.8796 11.9215 11.9849 12.3255 12.4625 14.0806 14.2223 15.0181 15.0308 15.2686 15.3655 15.5492 15.6071 k = 0.5000-0.0999 0.5417 ( 4840 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9335 -10.9325 -10.9309 -10.9296 -7.9801 -7.9783 -7.9737 -7.9737 -7.9529 -7.9513 2.1431 2.1473 8.2614 8.4120 9.3652 9.5296 10.1201 10.1228 11.5174 11.5458 11.6454 11.6749 11.8433 11.8770 11.9168 11.9776 12.3394 12.4910 14.1303 14.2712 15.0438 15.0581 15.2223 15.3306 15.5382 15.6020 k = 0.5000-0.0888 0.5496 ( 4836 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9114 -42.1808 -42.1803 -42.1801 -42.1801 -10.9333 -10.9323 -10.9310 -10.9296 -7.9801 -7.9781 -7.9733 -7.9732 -7.9532 -7.9515 2.1492 2.1536 8.2680 8.4312 9.3140 9.4935 10.0696 10.0747 11.5186 11.5482 11.6631 11.6927 11.8428 11.8748 11.9120 11.9705 12.3528 12.5173 14.1836 14.3215 15.0683 15.0845 15.1732 15.2937 15.5265 15.5963 k = 0.5000-0.0777 0.5574 ( 4840 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9331 -10.9320 -10.9310 -10.9297 -7.9801 -7.9779 -7.9729 -7.9727 -7.9534 -7.9517 2.1549 2.1594 8.2742 8.4501 9.2670 9.4616 10.0233 10.0306 11.5193 11.5497 11.6784 11.7084 11.8427 11.8724 11.9068 11.9635 12.3653 12.5410 14.2399 14.3723 15.0905 15.1098 15.1221 15.2552 15.5137 15.5897 k = 0.5000-0.0666 0.5653 ( 4836 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9113 -42.1808 -42.1803 -42.1801 -42.1801 -10.9329 -10.9318 -10.9311 -10.9297 -7.9800 -7.9777 -7.9725 -7.9722 -7.9537 -7.9519 2.1600 2.1646 8.2798 8.4683 9.2245 9.4341 9.9819 9.9913 11.5200 11.5509 11.6920 11.7228 11.8438 11.8704 11.9018 11.9572 12.3767 12.5619 14.2993 14.4235 15.0651 15.1147 15.1338 15.2159 15.5004 15.5824 k = 0.5000-0.0555 0.5731 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9328 -10.9316 -10.9312 -10.9298 -7.9800 -7.9776 -7.9722 -7.9718 -7.9539 -7.9520 2.1645 2.1692 8.2847 8.4854 9.1869 9.4108 9.9457 9.9570 11.5200 11.5512 11.7029 11.7351 11.8453 11.8679 11.8962 11.9511 12.3865 12.5796 14.3609 14.4734 15.0085 15.1339 15.1541 15.1783 15.4866 15.5746 k = 0.5000-0.0444 0.5810 ( 4838 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9113 -42.1808 -42.1803 -42.1801 -42.1801 -10.9326 -10.9314 -10.9313 -10.9299 -7.9800 -7.9775 -7.9719 -7.9714 -7.9541 -7.9522 2.1682 2.1731 8.2889 8.5007 9.1550 9.3920 9.9155 9.9284 11.5207 11.5521 11.7117 11.7456 11.8485 11.8664 11.8909 11.9462 12.3950 12.5944 14.4244 14.5211 14.9494 15.1342 15.1513 15.1800 15.4732 15.5671 k = 0.5000-0.0333 0.5888 ( 4842 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9325 -10.9314 -10.9312 -10.9300 -7.9800 -7.9774 -7.9717 -7.9711 -7.9542 -7.9523 2.1712 2.1761 8.2922 8.5137 9.1291 9.3775 9.8914 9.9057 11.5208 11.5524 11.7179 11.7537 11.8521 11.8647 11.8851 11.9419 12.4017 12.6058 14.4889 14.5644 14.8883 15.0985 15.1657 15.1972 15.4607 15.5601 k = 0.5000-0.0222 0.5967 ( 4842 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9323 -10.9315 -10.9311 -10.9301 -7.9800 -7.9773 -7.9715 -7.9709 -7.9544 -7.9523 2.1734 2.1783 8.2946 8.5237 9.1101 9.3671 9.8739 9.8893 11.5210 11.5526 11.7224 11.7600 11.8566 11.8634 11.8795 11.9387 12.4066 12.6140 14.5536 14.6002 14.8264 15.0678 15.1767 15.2114 15.4504 15.5544 k = 0.5000-0.0111 0.6045 ( 4854 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9114 -42.1809 -42.1803 -42.1802 -42.1802 -10.9323 -10.9315 -10.9310 -10.9301 -7.9800 -7.9773 -7.9714 -7.9708 -7.9544 -7.9524 2.1747 2.1797 8.2960 8.5299 9.0983 9.3608 9.8633 9.8794 11.5209 11.5526 11.7248 11.7637 11.8610 11.8623 11.8736 11.9362 12.4088 12.6181 14.6158 14.6242 14.7654 15.0464 15.1835 15.2206 15.4435 15.5507 k = 0.5000-0.0000 0.6124 ( 4888 PWs) bands (ev): -78.2113 -78.2113 -43.9121 -43.9117 -42.1810 -42.1805 -42.1804 -42.1804 -10.9322 -10.9315 -10.9309 -10.9302 -7.9800 -7.9773 -7.9714 -7.9707 -7.9545 -7.9524 2.1751 2.1801 8.2964 8.5320 9.0942 9.3586 9.8597 9.8760 11.5194 11.5511 11.7242 11.7636 11.8606 11.8627 11.8691 11.9345 12.4091 12.6190 14.6326 14.6556 14.7254 15.0383 15.1855 15.2234 15.4408 15.5492 k = 0.5000-0.0000 0.6124 ( 4888 PWs) bands (ev): -78.2113 -78.2113 -43.9121 -43.9117 -42.1810 -42.1805 -42.1804 -42.1804 -10.9322 -10.9315 -10.9309 -10.9302 -7.9800 -7.9773 -7.9714 -7.9707 -7.9545 -7.9524 2.1751 2.1801 8.2964 8.5320 9.0942 9.3586 9.8597 9.8760 11.5194 11.5511 11.7242 11.7636 11.8606 11.8627 11.8691 11.9345 12.4091 12.6190 14.6326 14.6556 14.7254 15.0383 15.1855 15.2234 15.4408 15.5492 k = 0.4931 0.0120 0.6124 ( 4855 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1809 -42.1803 -42.1803 -42.1802 -10.9322 -10.9315 -10.9309 -10.9301 -7.9800 -7.9773 -7.9714 -7.9707 -7.9544 -7.9524 2.1748 2.1798 8.2951 8.5304 9.0946 9.3589 9.8625 9.8797 11.5202 11.5521 11.7257 11.7650 11.8594 11.8649 11.8729 11.9365 12.4090 12.6183 14.6279 14.6315 14.7504 15.0413 15.1878 15.2246 15.4436 15.5511 k = 0.4861 0.0241 0.6124 ( 4843 PWs) bands (ev): -78.2102 -78.2102 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9323 -10.9315 -10.9310 -10.9301 -7.9800 -7.9773 -7.9714 -7.9708 -7.9544 -7.9524 2.1740 2.1790 8.2912 8.5259 9.0946 9.3587 9.8713 9.8905 11.5198 11.5526 11.7259 11.7644 11.8572 11.8669 11.8779 11.9388 12.4067 12.6141 14.5854 14.6156 14.7937 15.0488 15.1953 15.2288 15.4504 15.5558 k = 0.4792 0.0361 0.6124 ( 4847 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1802 -10.9323 -10.9315 -10.9311 -10.9300 -7.9799 -7.9773 -7.9715 -7.9709 -7.9544 -7.9524 2.1727 2.1777 8.2850 8.5193 9.0930 9.3575 9.8864 9.9079 11.5180 11.5523 11.7261 11.7633 11.8558 11.8677 11.8835 11.9416 12.4018 12.6060 14.5354 14.5937 14.8402 15.0606 15.2091 15.2374 15.4598 15.5622 k = 0.4722 0.0481 0.6124 ( 4845 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1802 -10.9324 -10.9314 -10.9311 -10.9300 -7.9799 -7.9773 -7.9716 -7.9710 -7.9543 -7.9523 2.1711 2.1760 8.2769 8.5114 9.0895 9.3552 9.9075 9.9313 11.5160 11.5521 11.7272 11.7623 11.8563 11.8686 11.8900 11.9457 12.3950 12.5943 14.4843 14.5650 14.8875 15.0764 15.2291 15.2516 15.4708 15.5699 k = 0.4653 0.0601 0.6124 ( 4838 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9325 -10.9314 -10.9312 -10.9299 -7.9798 -7.9773 -7.9717 -7.9711 -7.9542 -7.9523 2.1692 2.1741 8.2675 8.5028 9.0839 9.3516 9.9340 9.9599 11.5138 11.5518 11.7292 11.7617 11.8581 11.8695 11.8971 11.9512 12.3862 12.5792 14.4334 14.5316 14.9349 15.0956 15.2547 15.2716 15.4828 15.5782 k = 0.4583 0.0722 0.6124 ( 4832 PWs) bands (ev): -78.2100 -78.2100 -43.9117 -43.9113 -42.1808 -42.1802 -42.1801 -42.1801 -10.9325 -10.9314 -10.9312 -10.9299 -7.9798 -7.9773 -7.9719 -7.9713 -7.9541 -7.9523 2.1670 2.1719 8.2572 8.4938 9.0763 9.3469 9.9648 9.9925 11.5115 11.5511 11.7321 11.7621 11.8605 11.8704 11.9043 11.9573 12.3754 12.5603 14.3838 14.4951 14.9818 15.1178 15.2840 15.2974 15.4958 15.5868 k = 0.4514 0.0842 0.6124 ( 4839 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9326 -10.9314 -10.9312 -10.9298 -7.9797 -7.9772 -7.9720 -7.9715 -7.9540 -7.9522 2.1648 2.1697 8.2462 8.4848 9.0672 9.3413 9.9987 10.0280 11.5087 11.5495 11.7352 11.7633 11.8628 11.8710 11.9111 11.9637 12.3623 12.5375 14.3360 14.4571 15.0278 15.1422 15.3153 15.3285 15.5097 15.5958 k = 0.4444 0.0962 0.6124 ( 4841 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9327 -10.9315 -10.9312 -10.9297 -7.9796 -7.9772 -7.9722 -7.9717 -7.9539 -7.9522 2.1625 2.1674 8.2351 8.4761 9.0570 9.3351 10.0346 10.0652 11.5066 11.5476 11.7390 11.7665 11.8652 11.8721 11.9181 11.9707 12.3477 12.5112 14.2913 14.4192 15.0727 15.1685 15.3473 15.3631 15.5258 15.6057 k = 0.4375 0.1083 0.6124 ( 4848 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1802 -10.9327 -10.9316 -10.9311 -10.9297 -7.9795 -7.9771 -7.9724 -7.9719 -7.9538 -7.9521 2.1602 2.1650 8.2242 8.4678 9.0463 9.3286 10.0713 10.1026 11.5051 11.5454 11.7430 11.7714 11.8672 11.8739 11.9247 11.9775 12.3313 12.4814 14.2499 14.3824 15.1162 15.1959 15.3785 15.3984 15.5457 15.6176 k = 0.4306 0.1203 0.6124 ( 4851 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9328 -10.9317 -10.9311 -10.9296 -7.9794 -7.9771 -7.9726 -7.9721 -7.9537 -7.9521 2.1580 2.1628 8.2137 8.4601 9.0356 9.3221 10.1079 10.1392 11.5041 11.5427 11.7474 11.7787 11.8688 11.8766 11.9316 11.9846 12.3140 12.4488 14.2123 14.3476 15.1581 15.2240 15.4060 15.4309 15.5722 15.6330 k = 0.4236 0.1323 0.6124 ( 4843 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9329 -10.9317 -10.9310 -10.9296 -7.9793 -7.9770 -7.9728 -7.9724 -7.9536 -7.9520 2.1559 2.1607 8.2040 8.4532 9.0254 9.3160 10.1434 10.1738 11.5045 11.5404 11.7524 11.7878 11.8705 11.8812 11.9388 11.9918 12.2962 12.4139 14.1792 14.3157 15.1981 15.2519 15.4272 15.4574 15.6070 15.6543 k = 0.4167 0.1443 0.6124 ( 4839 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9329 -10.9318 -10.9310 -10.9296 -7.9792 -7.9770 -7.9730 -7.9726 -7.9535 -7.9520 2.1540 2.1588 8.1951 8.4470 9.0158 9.3102 10.1768 10.2054 11.5056 11.5379 11.7573 11.7973 11.8716 11.8873 11.9457 11.9985 12.2782 12.3772 14.1503 14.2870 15.2359 15.2791 15.4409 15.4759 15.6492 15.6826 k = 0.4097 0.1564 0.6124 ( 4843 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9329 -10.9318 -10.9310 -10.9295 -7.9791 -7.9769 -7.9732 -7.9728 -7.9535 -7.9519 2.1523 2.1571 8.1874 8.4416 9.0073 9.3051 10.2070 10.2330 11.5070 11.5351 11.7622 11.8064 11.8724 11.8952 11.9521 12.0039 12.2608 12.3397 14.1259 14.2620 15.2711 15.3046 15.4475 15.4865 15.6948 15.7177 k = 0.4028 0.1684 0.6124 ( 4851 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9330 -10.9319 -10.9310 -10.9295 -7.9790 -7.9769 -7.9733 -7.9730 -7.9534 -7.9519 2.1509 2.1557 8.1809 8.4372 8.9999 9.3007 10.2336 10.2558 11.5090 11.5323 11.7666 11.8142 11.8731 11.9049 11.9583 12.0084 12.2444 12.3025 14.1058 14.2409 15.3033 15.3281 15.4484 15.4906 15.7375 15.7590 k = 0.3958 0.1804 0.6124 ( 4851 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9330 -10.9319 -10.9309 -10.9295 -7.9789 -7.9768 -7.9734 -7.9731 -7.9533 -7.9518 2.1498 2.1545 8.1757 8.4337 8.9941 9.2972 10.2558 10.2734 11.5114 11.5297 11.7710 11.8204 11.8738 11.9157 11.9654 12.0123 12.2305 12.2682 14.0904 14.2244 15.3319 15.3493 15.4445 15.4903 15.7736 15.8025 k = 0.3889 0.1925 0.6124 ( 4855 PWs) bands (ev): -78.2106 -78.2106 -43.9118 -43.9115 -42.1808 -42.1804 -42.1803 -42.1802 -10.9330 -10.9319 -10.9309 -10.9295 -7.9789 -7.9768 -7.9735 -7.9732 -7.9533 -7.9518 2.1489 2.1537 8.1720 8.4312 8.9898 9.2946 10.2731 10.2852 11.5138 11.5270 11.7743 11.8243 11.8743 11.9251 11.9729 12.0150 12.2192 12.2394 14.0795 14.2125 15.3549 15.3689 15.4364 15.4876 15.8019 15.8408 k = 0.3819 0.2045 0.6124 ( 4846 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9330 -10.9320 -10.9309 -10.9295 -7.9788 -7.9768 -7.9736 -7.9733 -7.9533 -7.9518 2.1484 2.1532 8.1697 8.4297 8.9873 9.2931 10.2850 10.2913 11.5163 11.5250 11.7767 11.8269 11.8750 11.9317 11.9803 12.0172 12.2107 12.2215 14.0731 14.2054 15.3690 15.3889 15.4246 15.4848 15.8209 15.8668 k = 0.3750 0.2165 0.6124 ( 4854 PWs) bands (ev): -78.2106 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9330 -10.9320 -10.9309 -10.9295 -7.9788 -7.9768 -7.9736 -7.9733 -7.9533 -7.9518 2.1483 2.1530 8.1689 8.4292 8.9864 9.2926 10.2906 10.2914 11.5172 11.5238 11.7774 11.8275 11.8749 11.9334 11.9829 12.0173 12.2059 12.2161 14.0709 14.2029 15.3733 15.4037 15.4124 15.4836 15.8276 15.8752 k = 0.3750 0.2165 0.6124 ( 4854 PWs) bands (ev): -78.2106 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9330 -10.9320 -10.9309 -10.9295 -7.9788 -7.9768 -7.9736 -7.9733 -7.9533 -7.9518 2.1483 2.1530 8.1689 8.4292 8.9864 9.2926 10.2906 10.2914 11.5172 11.5238 11.7774 11.8275 11.8749 11.9334 11.9829 12.0173 12.2059 12.2161 14.0709 14.2029 15.3733 15.4037 15.4124 15.4836 15.8276 15.8752 k = 0.3681 0.2125 0.6010 ( 4846 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9328 -10.9317 -10.9310 -10.9295 -7.9787 -7.9765 -7.9731 -7.9727 -7.9536 -7.9521 2.1524 2.1573 8.1514 8.4352 8.9252 9.2591 10.2471 10.2510 11.5270 11.5328 11.7912 11.8187 11.8938 11.9468 12.0136 12.0184 12.2097 12.2198 14.1106 14.2463 15.3638 15.3895 15.3975 15.4700 15.8455 15.9127 k = 0.3611 0.2085 0.5897 ( 4850 PWs) bands (ev): -78.2105 -78.2104 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9326 -10.9315 -10.9310 -10.9295 -7.9786 -7.9763 -7.9726 -7.9720 -7.9539 -7.9523 2.1555 2.1605 8.1304 8.4321 8.8785 9.2342 10.2052 10.2119 11.5362 11.5412 11.7958 11.8091 11.9182 11.9514 12.0204 12.0502 12.2136 12.2239 14.1535 14.2926 15.3519 15.3735 15.3798 15.4557 15.8388 15.9084 k = 0.3542 0.2045 0.5784 ( 4846 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1802 -10.9324 -10.9314 -10.9308 -10.9295 -7.9786 -7.9761 -7.9721 -7.9714 -7.9542 -7.9526 2.1573 2.1625 8.1067 8.4176 8.8491 9.2178 10.1651 10.1745 11.5457 11.5497 11.7958 11.8000 11.9439 11.9536 12.0249 12.0871 12.2184 12.2291 14.1995 14.3418 15.3394 15.3560 15.3601 15.4412 15.8314 15.9000 k = 0.3472 0.2005 0.5670 ( 4826 PWs) bands (ev): -78.2099 -78.2099 -43.9116 -43.9113 -42.1807 -42.1803 -42.1801 -42.1801 -10.9323 -10.9314 -10.9307 -10.9296 -7.9785 -7.9760 -7.9716 -7.9707 -7.9545 -7.9529 2.1578 2.1630 8.0809 8.3915 8.8376 9.2096 10.1273 10.1393 11.5553 11.5582 11.7908 11.7933 11.9555 11.9668 12.0341 12.1230 12.2244 12.2359 14.2490 14.3942 15.3268 15.3382 15.3391 15.4267 15.8260 15.8921 k = 0.3403 0.1965 0.5557 ( 4826 PWs) bands (ev): -78.2099 -78.2099 -43.9117 -43.9113 -42.1807 -42.1803 -42.1801 -42.1801 -10.9321 -10.9315 -10.9304 -10.9296 -7.9785 -7.9759 -7.9711 -7.9701 -7.9548 -7.9532 2.1566 2.1620 8.0540 8.3564 8.8416 9.2090 10.0917 10.1060 11.5643 11.5657 11.7812 11.7894 11.9557 11.9816 12.0483 12.1553 12.2304 12.2430 14.3010 14.4489 15.3105 15.3165 15.3233 15.4123 15.8232 15.8853 k = 0.3333 0.1925 0.5443 ( 4826 PWs) bands (ev): -78.2099 -78.2099 -43.9117 -43.9113 -42.1807 -42.1803 -42.1801 -42.1801 -10.9320 -10.9316 -10.9302 -10.9296 -7.9785 -7.9759 -7.9706 -7.9695 -7.9551 -7.9536 2.1537 2.1591 8.0268 8.3164 8.8574 9.2152 10.0585 10.0751 11.5726 11.5729 11.7714 11.7849 11.9552 11.9894 12.0675 12.1843 12.2371 12.2514 14.3556 14.5060 15.2893 15.2926 15.3140 15.3987 15.8233 15.8801 k = 0.3264 0.1884 0.5330 ( 4826 PWs) bands (ev): -78.2099 -78.2099 -43.9117 -43.9113 -42.1807 -42.1803 -42.1801 -42.1801 -10.9320 -10.9317 -10.9300 -10.9296 -7.9784 -7.9759 -7.9701 -7.9690 -7.9554 -7.9539 2.1488 2.1542 8.0005 8.2751 8.8817 9.2277 10.0281 10.0468 11.5788 11.5813 11.7615 11.7802 11.9543 11.9930 12.0886 12.2095 12.2444 12.2615 14.4123 14.5651 15.2659 15.2676 15.3084 15.3863 15.8265 15.8767 k = 0.3194 0.1844 0.5217 ( 4840 PWs) bands (ev): -78.2102 -78.2102 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9319 -10.9318 -10.9298 -10.9296 -7.9784 -7.9759 -7.9697 -7.9685 -7.9556 -7.9542 2.1419 2.1473 7.9761 8.2352 8.9120 9.2454 10.0006 10.0212 11.5835 11.5888 11.7504 11.7744 11.9524 11.9938 12.1090 12.2302 12.2521 12.2730 14.4702 14.6253 15.2410 15.2414 15.3065 15.3759 15.8326 15.8749 k = 0.3125 0.1804 0.5103 ( 4840 PWs) bands (ev): -78.2103 -78.2102 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9319 -10.9319 -10.9296 -10.9296 -7.9784 -7.9760 -7.9694 -7.9680 -7.9559 -7.9545 2.1328 2.1382 7.9544 8.1983 8.9468 9.2678 9.9763 9.9986 11.5877 11.5961 11.7405 11.7700 11.9504 11.9935 12.1281 12.2476 12.2608 12.2861 14.5284 14.6860 15.2145 15.2151 15.3090 15.3683 15.8419 15.8752 k = 0.3056 0.1764 0.4990 ( 4836 PWs) bands (ev): -78.2102 -78.2101 -43.9117 -43.9114 -42.1807 -42.1803 -42.1802 -42.1801 -10.9320 -10.9319 -10.9295 -10.9295 -7.9785 -7.9761 -7.9691 -7.9676 -7.9562 -7.9549 2.1214 2.1268 7.9361 8.1659 8.9849 9.2941 9.9555 9.9792 11.5906 11.6027 11.7305 11.7659 11.9484 11.9928 12.1457 12.2625 12.2702 12.2996 14.5857 14.7456 15.1868 15.1886 15.3168 15.3648 15.8540 15.8772 k = 0.2986 0.1724 0.4876 ( 4836 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1807 -42.1803 -42.1802 -42.1801 -10.9321 -10.9320 -10.9295 -10.9293 -7.9785 -7.9762 -7.9688 -7.9673 -7.9564 -7.9552 2.1077 2.1129 7.9221 8.1386 9.0256 9.3236 9.9383 9.9631 11.5921 11.6085 11.7207 11.7623 11.9455 11.9909 12.1610 12.2759 12.2798 12.3119 14.6405 14.8024 15.1582 15.1611 15.3308 15.3666 15.8687 15.8810 k = 0.2917 0.1684 0.4763 ( 4852 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1803 -42.1802 -10.9322 -10.9321 -10.9295 -10.9292 -7.9786 -7.9763 -7.9687 -7.9670 -7.9567 -7.9555 2.0915 2.0966 7.9127 8.1171 9.0681 9.3555 9.9250 9.9505 11.5912 11.6125 11.7104 11.7587 11.9418 11.9880 12.1735 12.2884 12.2895 12.3217 14.6911 14.8541 15.1288 15.1329 15.3518 15.3751 15.8855 15.8861 k = 0.2847 0.1644 0.4649 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1803 -42.1802 -10.9323 -10.9322 -10.9295 -10.9292 -7.9786 -7.9764 -7.9686 -7.9668 -7.9569 -7.9559 2.0729 2.0779 7.9084 8.1017 9.1122 9.3893 9.9163 9.9417 11.5896 11.6156 11.7019 11.7566 11.9382 11.9850 12.1845 12.2999 12.3012 12.3302 14.7361 14.8988 15.0991 15.1045 15.3806 15.3920 15.8930 15.9046 k = 0.2778 0.1604 0.4536 ( 4852 PWs) bands (ev): -78.2106 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1803 -42.1802 -10.9325 -10.9324 -10.9295 -10.9291 -7.9787 -7.9766 -7.9685 -7.9667 -7.9572 -7.9562 2.0518 2.0566 7.9097 8.0927 9.1574 9.4241 9.9123 9.9369 11.5864 11.6167 11.6946 11.7552 11.9340 11.9813 12.1932 12.3107 12.3139 12.3363 14.7744 14.9346 15.0688 15.0757 15.4165 15.4174 15.9012 15.9251 k = 0.2708 0.1564 0.4423 ( 4844 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9326 -10.9325 -10.9296 -10.9291 -7.9788 -7.9768 -7.9686 -7.9666 -7.9574 -7.9565 2.0284 2.0330 7.9166 8.0902 9.2033 9.4591 9.9138 9.9363 11.5820 11.6153 11.6897 11.7550 11.9300 11.9776 12.1998 12.3224 12.3267 12.3409 14.8056 14.9610 15.0385 15.0473 15.4507 15.4585 15.9104 15.9465 k = 0.2639 0.1524 0.4309 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9328 -10.9327 -10.9296 -10.9291 -7.9789 -7.9770 -7.9687 -7.9666 -7.9576 -7.9568 2.0026 2.0069 7.9295 8.0944 9.2494 9.4937 9.9210 9.9402 11.5760 11.6110 11.6868 11.7552 11.9254 11.9733 12.2042 12.3345 12.3371 12.3460 14.8298 14.9781 15.0088 15.0192 15.4887 15.5032 15.9205 15.9679 k = 0.2569 0.1483 0.4196 ( 4848 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1807 -42.1804 -42.1803 -42.1802 -10.9329 -10.9329 -10.9297 -10.9291 -7.9790 -7.9772 -7.9688 -7.9667 -7.9578 -7.9571 1.9745 1.9786 7.9483 8.1051 9.2955 9.5271 9.9345 9.9486 11.5687 11.6040 11.6853 11.7554 11.9197 11.9680 12.2061 12.3393 12.3470 12.3570 14.8470 14.9727 14.9919 14.9943 15.5274 15.5469 15.9311 15.9881 k = 0.2500 0.1443 0.4082 ( 4836 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9115 -42.1806 -42.1804 -42.1802 -42.1802 -10.9331 -10.9331 -10.9298 -10.9292 -7.9791 -7.9775 -7.9691 -7.9669 -7.9580 -7.9574 1.9442 1.9481 7.9731 8.1223 9.3412 9.5587 9.9548 9.9622 11.5612 11.5957 11.6864 11.7570 11.9147 11.9630 12.2066 12.3381 12.3606 12.3709 14.8575 14.9437 14.9676 14.9989 15.5632 15.5859 15.9424 16.0064 k = 0.2431 0.1403 0.3969 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9333 -10.9332 -10.9299 -10.9293 -7.9793 -7.9777 -7.9694 -7.9671 -7.9583 -7.9577 1.9119 1.9156 8.0038 8.1460 9.3862 9.5883 9.9806 9.9815 11.5523 11.5854 11.6878 11.7583 11.9086 11.9570 12.2050 12.3346 12.3745 12.3853 14.8593 14.9128 14.9481 15.0016 15.5910 15.6147 15.9534 16.0217 k = 0.2361 0.1363 0.3856 ( 4832 PWs) bands (ev): -78.2102 -78.2101 -43.9117 -43.9115 -42.1806 -42.1804 -42.1802 -42.1802 -10.9335 -10.9334 -10.9300 -10.9294 -7.9794 -7.9780 -7.9697 -7.9674 -7.9585 -7.9581 1.8778 1.8812 8.0404 8.1759 9.4302 9.6161 10.0043 10.0146 11.5437 11.5750 11.6903 11.7603 11.9025 11.9509 12.2022 12.3302 12.3891 12.4003 14.8509 14.8823 14.9369 15.0022 15.6081 15.6305 15.9643 16.0344 k = 0.2292 0.1323 0.3742 ( 4834 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9115 -42.1806 -42.1804 -42.1802 -42.1802 -10.9337 -10.9336 -10.9302 -10.9296 -7.9796 -7.9783 -7.9701 -7.9678 -7.9588 -7.9584 1.8420 1.8452 8.0827 8.2117 9.4732 9.6423 10.0330 10.0533 11.5342 11.5636 11.6929 11.7622 11.8957 11.9440 12.1978 12.3245 12.4043 12.4155 14.8330 14.8518 14.9331 15.0012 15.6113 15.6307 15.9740 16.0450 k = 0.2222 0.1283 0.3629 ( 4826 PWs) bands (ev): -78.2100 -78.2100 -43.9117 -43.9115 -42.1805 -42.1804 -42.1802 -42.1802 -10.9339 -10.9338 -10.9304 -10.9298 -7.9798 -7.9786 -7.9705 -7.9682 -7.9591 -7.9587 1.8047 1.8076 8.1305 8.2534 9.5152 9.6677 10.0666 10.0967 11.5251 11.5525 11.6961 11.7644 11.8890 11.9371 12.1929 12.3185 12.4201 12.4312 14.8103 14.8221 14.9337 14.9993 15.6001 15.6155 15.9824 16.0549 k = 0.2153 0.1243 0.3515 ( 4822 PWs) bands (ev): -78.2100 -78.2100 -43.9117 -43.9115 -42.1805 -42.1803 -42.1802 -42.1802 -10.9342 -10.9340 -10.9306 -10.9300 -7.9800 -7.9789 -7.9710 -7.9687 -7.9594 -7.9591 1.7660 1.7687 8.1835 8.3005 9.5561 9.6929 10.1048 10.1439 11.5158 11.5413 11.6993 11.7667 11.8819 11.9297 12.1873 12.3122 12.4362 12.4470 14.7854 14.7931 14.9358 14.9965 15.5751 15.5864 15.9887 16.0643 k = 0.2083 0.1203 0.3402 ( 4814 PWs) bands (ev): -78.2098 -78.2098 -43.9116 -43.9114 -42.1805 -42.1803 -42.1802 -42.1801 -10.9344 -10.9342 -10.9309 -10.9302 -7.9802 -7.9793 -7.9715 -7.9692 -7.9597 -7.9595 1.7263 1.7288 8.2415 8.3527 9.5964 9.7183 10.1470 10.1939 11.5075 11.5311 11.7028 11.7694 11.8743 11.9217 12.1814 12.3060 12.4527 12.4630 14.7598 14.7649 14.9384 14.9930 15.5390 15.5464 15.9928 16.0734 k = 0.2014 0.1163 0.3289 ( 4822 PWs) bands (ev): -78.2100 -78.2100 -43.9117 -43.9115 -42.1805 -42.1803 -42.1802 -42.1802 -10.9346 -10.9344 -10.9311 -10.9305 -7.9804 -7.9796 -7.9720 -7.9697 -7.9601 -7.9599 1.6857 1.6879 8.3041 8.4096 9.6362 9.7446 10.1924 10.2456 11.4989 11.5206 11.7061 11.7717 11.8656 11.9126 12.1753 12.3000 12.4693 12.4789 14.7341 14.7372 14.9406 14.9885 15.4939 15.4976 15.9940 16.0811 k = 0.1944 0.1123 0.3175 ( 4826 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9115 -42.1805 -42.1804 -42.1802 -42.1802 -10.9349 -10.9346 -10.9314 -10.9307 -7.9806 -7.9799 -7.9726 -7.9703 -7.9604 -7.9603 1.6444 1.6464 8.3711 8.4709 9.6760 9.7722 10.2406 10.2984 11.4913 11.5110 11.7098 11.7744 11.8567 11.9031 12.1697 12.2948 12.4863 12.4950 14.7093 14.7110 14.9421 14.9830 15.4433 15.4434 15.9924 16.0868 k = 0.1875 0.1083 0.3062 ( 4820 PWs) bands (ev): -78.2100 -78.2100 -43.9117 -43.9115 -42.1805 -42.1803 -42.1802 -42.1802 -10.9351 -10.9348 -10.9317 -10.9310 -7.9809 -7.9803 -7.9732 -7.9710 -7.9608 -7.9607 1.6026 1.6044 8.4420 8.5362 9.7162 9.8015 10.2906 10.3514 11.4856 11.5032 11.7141 11.7778 11.8478 11.8933 12.1650 12.2910 12.5035 12.5112 14.6856 14.6863 14.9425 14.9758 15.3865 15.3904 15.9880 16.0901 k = 0.1806 0.1042 0.2948 ( 4826 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9116 -42.1805 -42.1804 -42.1802 -42.1802 -10.9354 -10.9350 -10.9320 -10.9314 -7.9811 -7.9806 -7.9738 -7.9716 -7.9612 -7.9611 1.5606 1.5622 8.5163 8.6049 9.7569 9.8326 10.3415 10.4039 11.4811 11.4965 11.7182 11.7808 11.8379 11.8824 12.1612 12.2885 12.5207 12.5274 14.6628 14.6629 14.9408 14.9661 15.3285 15.3369 15.9802 16.0898 k = 0.1736 0.1002 0.2835 ( 4822 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9116 -42.1805 -42.1804 -42.1802 -42.1802 -10.9356 -10.9352 -10.9323 -10.9317 -7.9814 -7.9810 -7.9744 -7.9723 -7.9617 -7.9615 1.5186 1.5200 8.5937 8.6766 9.7988 9.8658 10.3927 10.4550 11.4787 11.4915 11.7231 11.7849 11.8281 11.8711 12.1591 12.2882 12.5381 12.5435 14.6413 14.6419 14.9364 14.9529 15.2727 15.2863 15.9691 16.0858 k = 0.1667 0.0962 0.2722 ( 4820 PWs) bands (ev): -78.2100 -78.2100 -43.9117 -43.9116 -42.1805 -42.1804 -42.1802 -42.1802 -10.9359 -10.9354 -10.9327 -10.9321 -7.9817 -7.9814 -7.9751 -7.9730 -7.9621 -7.9620 1.4766 1.4779 8.6737 8.7509 9.8419 9.9012 10.4431 10.5041 11.4782 11.4880 11.7283 11.7899 11.8182 11.8590 12.1588 12.2903 12.5554 12.5594 14.6215 14.6225 14.9277 14.9348 15.2213 15.2408 15.9545 16.0775 k = 0.1597 0.0922 0.2608 ( 4826 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9116 -42.1805 -42.1804 -42.1803 -42.1802 -10.9361 -10.9356 -10.9330 -10.9324 -7.9819 -7.9817 -7.9757 -7.9737 -7.9625 -7.9624 1.4351 1.4362 8.7557 8.8270 9.8863 9.9389 10.4917 10.5504 11.4795 11.4855 11.7333 11.7958 11.8089 11.8459 12.1607 12.2949 12.5725 12.5751 14.6037 14.6048 14.9103 14.9125 15.1769 15.2023 15.9362 16.0644 k = 0.1528 0.0882 0.2495 ( 4826 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9116 -42.1805 -42.1804 -42.1803 -42.1803 -10.9363 -10.9358 -10.9334 -10.9328 -7.9822 -7.9821 -7.9764 -7.9745 -7.9630 -7.9629 1.3940 1.3950 8.8392 8.9045 9.9325 9.9789 10.5381 10.5936 11.4828 11.4846 11.7374 11.8022 11.8037 11.8323 12.1651 12.3027 12.5894 12.5906 14.5881 14.5890 14.8793 14.8896 15.1424 15.1723 15.9146 16.0470 k = 0.1458 0.0842 0.2381 ( 4830 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9117 -42.1805 -42.1804 -42.1803 -42.1803 -10.9366 -10.9360 -10.9338 -10.9332 -7.9825 -7.9824 -7.9771 -7.9752 -7.9634 -7.9634 1.3536 1.3545 8.9236 8.9828 9.9802 10.0212 10.5811 10.6329 11.4837 11.4870 11.7374 11.8014 11.8102 11.8223 12.1726 12.3139 12.6057 12.6061 14.5747 14.5753 14.8429 14.8588 15.1179 15.1501 15.8892 16.0243 k = 0.1389 0.0802 0.2268 ( 4830 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9117 -42.1805 -42.1804 -42.1803 -42.1803 -10.9368 -10.9362 -10.9342 -10.9336 -7.9828 -7.9828 -7.9778 -7.9760 -7.9639 -7.9638 1.3141 1.3148 9.0083 9.0614 10.0296 10.0658 10.6204 10.6683 11.4841 11.4929 11.7310 11.7984 11.8094 11.8332 12.1832 12.3289 12.6204 12.6224 14.5635 14.5635 14.8030 14.8224 15.1027 15.1350 15.8605 15.9969 k = 0.1319 0.0762 0.2155 ( 4826 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9117 -42.1805 -42.1804 -42.1803 -42.1803 -10.9370 -10.9364 -10.9345 -10.9340 -7.9831 -7.9830 -7.9785 -7.9767 -7.9643 -7.9643 1.2756 1.2762 9.0927 9.1397 10.0808 10.1129 10.6556 10.6995 11.4837 11.4983 11.7196 11.7821 11.8263 11.8536 12.1970 12.3475 12.6347 12.6384 14.5541 14.5549 14.7619 14.7833 15.0941 15.1249 15.8284 15.9647 k = 0.1250 0.0722 0.2041 ( 4830 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9117 -42.1805 -42.1804 -42.1803 -42.1803 -10.9372 -10.9366 -10.9349 -10.9344 -7.9835 -7.9833 -7.9792 -7.9775 -7.9647 -7.9647 1.2383 1.2388 9.1760 9.2170 10.1334 10.1620 10.6863 10.7267 11.4821 11.5024 11.7043 11.7639 11.8502 11.8808 12.2139 12.3696 12.6485 12.6538 14.5462 14.5480 14.7220 14.7445 15.0896 15.1182 15.7930 15.9273 k = 0.1181 0.0682 0.1928 ( 4826 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9117 -42.1805 -42.1804 -42.1803 -42.1803 -10.9374 -10.9368 -10.9353 -10.9348 -7.9838 -7.9836 -7.9798 -7.9783 -7.9652 -7.9651 1.2022 1.2027 9.2578 9.2929 10.1875 10.2132 10.7129 10.7501 11.4793 11.5047 11.6871 11.7448 11.8806 11.9154 12.2342 12.3952 12.6618 12.6687 14.5396 14.5422 14.6861 14.7091 15.0881 15.1140 15.7548 15.8855 k = 0.1111 0.0642 0.1814 ( 4827 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1805 -42.1804 -42.1803 -42.1803 -10.9376 -10.9370 -10.9357 -10.9352 -7.9841 -7.9839 -7.9805 -7.9790 -7.9656 -7.9655 1.1676 1.1680 9.3372 9.3667 10.2426 10.2661 10.7353 10.7700 11.4748 11.5043 11.6679 11.7243 11.9168 11.9575 12.2575 12.4239 12.6745 12.6829 14.5328 14.5354 14.6571 14.6794 15.0883 15.1115 15.7138 15.8390 k = 0.1042 0.0601 0.1701 ( 4829 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9117 -42.1805 -42.1804 -42.1803 -42.1803 -10.9378 -10.9372 -10.9360 -10.9356 -7.9844 -7.9841 -7.9812 -7.9798 -7.9660 -7.9659 1.1346 1.1349 9.4139 9.4382 10.2983 10.3204 10.7544 10.7870 11.4687 11.5014 11.6470 11.7023 11.9584 12.0067 12.2838 12.4554 12.6864 12.6964 14.5244 14.5249 14.6389 14.6583 15.0897 15.1102 15.6704 15.7883 k = 0.0972 0.0561 0.1588 ( 4833 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9118 -42.1805 -42.1804 -42.1804 -42.1803 -10.9380 -10.9374 -10.9364 -10.9359 -7.9847 -7.9844 -7.9818 -7.9805 -7.9663 -7.9663 1.1031 1.1034 9.4873 9.5067 10.3543 10.3755 10.7705 10.8017 11.4608 11.4957 11.6249 11.6792 12.0049 12.0624 12.3128 12.4889 12.6977 12.7091 14.5097 14.5135 14.6331 14.6475 15.0917 15.1096 15.6250 15.7337 k = 0.0903 0.0521 0.1474 ( 4833 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9118 -42.1805 -42.1804 -42.1804 -42.1803 -10.9381 -10.9376 -10.9367 -10.9363 -7.9849 -7.9847 -7.9824 -7.9812 -7.9667 -7.9667 1.0735 1.0737 9.5569 9.5720 10.4103 10.4311 10.7843 10.8145 11.4517 11.4881 11.6017 11.6551 12.0560 12.1235 12.3443 12.5239 12.7083 12.7211 14.4921 14.5009 14.6386 14.6471 15.0943 15.1097 15.5781 15.6756 k = 0.0833 0.0481 0.1361 ( 4843 PWs) bands (ev): -78.2106 -78.2106 -43.9119 -43.9118 -42.1805 -42.1805 -42.1804 -42.1804 -10.9383 -10.9378 -10.9370 -10.9367 -7.9852 -7.9849 -7.9830 -7.9819 -7.9670 -7.9670 1.0456 1.0458 9.6222 9.6336 10.4653 10.4864 10.7962 10.8259 11.4412 11.4784 11.5771 11.6294 12.1110 12.1886 12.3778 12.5594 12.7183 12.7321 14.4751 14.4884 14.6519 14.6550 15.0970 15.1099 15.5299 15.6146 k = 0.0764 0.0441 0.1247 ( 4837 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9118 -42.1805 -42.1805 -42.1804 -42.1804 -10.9384 -10.9379 -10.9373 -10.9370 -7.9854 -7.9851 -7.9836 -7.9825 -7.9673 -7.9673 1.0198 1.0199 9.6832 9.6915 10.5197 10.5413 10.8073 10.8365 11.4302 11.4676 11.5524 11.6036 12.1694 12.2564 12.4132 12.5946 12.7276 12.7424 14.4618 14.4791 14.6702 14.6722 15.1002 15.1105 15.4815 15.5517 k = 0.0694 0.0401 0.1134 ( 4845 PWs) bands (ev): -78.2107 -78.2107 -43.9119 -43.9119 -42.1805 -42.1805 -42.1804 -42.1804 -10.9385 -10.9381 -10.9376 -10.9373 -7.9856 -7.9853 -7.9841 -7.9831 -7.9676 -7.9676 0.9959 0.9960 9.7393 9.7450 10.5720 10.5945 10.8174 10.8463 11.4181 11.4552 11.5264 11.5763 12.2302 12.3249 12.4502 12.6286 12.7363 12.7518 14.4527 14.4731 14.6907 14.6972 15.1031 15.1108 15.4329 15.4874 k = 0.0625 0.0361 0.1021 ( 4847 PWs) bands (ev): -78.2107 -78.2107 -43.9119 -43.9119 -42.1805 -42.1805 -42.1804 -42.1804 -10.9386 -10.9382 -10.9379 -10.9376 -7.9858 -7.9855 -7.9846 -7.9837 -7.9679 -7.9679 0.9741 0.9741 9.7904 9.7942 10.6224 10.6457 10.8272 10.8558 11.4061 11.4424 11.5005 11.5487 12.2928 12.3918 12.4890 12.6604 12.7445 12.7604 14.4490 14.4716 14.7161 14.7267 15.1063 15.1112 15.3852 15.4231 k = 0.0556 0.0321 0.0907 ( 4861 PWs) bands (ev): -78.2110 -78.2110 -43.9120 -43.9120 -42.1806 -42.1806 -42.1805 -42.1805 -10.9387 -10.9384 -10.9381 -10.9378 -7.9860 -7.9857 -7.9850 -7.9842 -7.9682 -7.9681 0.9544 0.9544 9.8364 9.8387 10.6701 10.6941 10.8367 10.8647 11.3933 11.4284 11.4742 11.5205 12.3558 12.4535 12.5309 12.6894 12.7524 12.7682 14.4509 14.4745 14.7452 14.7596 15.1091 15.1107 15.3388 15.3601 k = 0.0486 0.0281 0.0794 ( 4861 PWs) bands (ev): -78.2110 -78.2110 -43.9120 -43.9120 -42.1806 -42.1806 -42.1805 -42.1805 -10.9388 -10.9385 -10.9383 -10.9381 -7.9861 -7.9859 -7.9854 -7.9847 -7.9684 -7.9684 0.9369 0.9369 9.8772 9.8785 10.7150 10.7394 10.8466 10.8738 11.3816 11.4149 11.4489 11.4927 12.4180 12.5059 12.5778 12.7147 12.7603 12.7753 14.4588 14.4820 14.7778 14.7954 15.1103 15.1125 15.2953 15.3007 k = 0.0417 0.0241 0.0680 ( 4869 PWs) bands (ev): -78.2112 -78.2112 -43.9120 -43.9120 -42.1806 -42.1806 -42.1805 -42.1805 -10.9389 -10.9386 -10.9385 -10.9383 -7.9862 -7.9860 -7.9857 -7.9851 -7.9686 -7.9686 0.9216 0.9216 9.9125 9.9132 10.7564 10.7805 10.8566 10.8823 11.3705 11.4014 11.4242 11.4649 12.4773 12.5475 12.6287 12.7358 12.7686 12.7817 14.4717 14.4926 14.8121 14.8321 15.1090 15.1160 15.2473 15.2552 k = 0.0347 0.0200 0.0567 ( 4869 PWs) bands (ev): -78.2112 -78.2112 -43.9120 -43.9120 -42.1806 -42.1806 -42.1805 -42.1805 -10.9389 -10.9387 -10.9387 -10.9385 -7.9864 -7.9862 -7.9860 -7.9855 -7.9687 -7.9687 0.9087 0.9087 9.9426 9.9429 10.7942 10.8174 10.8668 10.8903 11.3608 11.3886 11.4013 11.4380 12.5318 12.5809 12.6785 12.7528 12.7774 12.7873 14.4894 14.5063 14.8467 14.8675 15.1068 15.1200 15.2032 15.2199 k = 0.0278 0.0160 0.0454 ( 4881 PWs) bands (ev): -78.2115 -78.2115 -43.9121 -43.9121 -42.1807 -42.1807 -42.1805 -42.1805 -10.9390 -10.9388 -10.9388 -10.9386 -7.9864 -7.9863 -7.9862 -7.9858 -7.9688 -7.9688 0.8980 0.8980 9.9670 9.9671 10.8273 10.8484 10.8764 10.8970 11.3523 11.3762 11.3807 11.4125 12.5788 12.6079 12.7226 12.7665 12.7863 12.7923 14.5089 14.5207 14.8785 14.8973 15.1045 15.1247 15.1719 15.1902 k = 0.0208 0.0120 0.0340 ( 4893 PWs) bands (ev): -78.2118 -78.2118 -43.9122 -43.9122 -42.1807 -42.1807 -42.1806 -42.1806 -10.9390 -10.9389 -10.9389 -10.9388 -7.9865 -7.9864 -7.9864 -7.9861 -7.9689 -7.9689 0.8897 0.8897 9.9860 9.9860 10.8555 10.8733 10.8851 10.9017 11.3459 11.3641 11.3652 11.3894 12.6158 12.6294 12.7583 12.7789 12.7939 12.7966 14.5285 14.5350 14.9038 14.9170 15.1067 15.1307 15.1535 15.1677 k = 0.0139 0.0080 0.0227 ( 4909 PWs) bands (ev): -78.2122 -78.2122 -43.9123 -43.9123 -42.1808 -42.1808 -42.1808 -42.1808 -10.9390 -10.9389 -10.9389 -10.9389 -7.9865 -7.9865 -7.9865 -7.9863 -7.9690 -7.9690 0.8837 0.8837 9.9995 9.9995 10.8778 10.8907 10.8925 10.9044 11.3420 11.3519 11.3559 11.3695 12.6413 12.6455 12.7839 12.7905 12.7994 12.8001 14.5449 14.5473 14.9196 14.9253 15.1168 15.1374 15.1444 15.1526 k = 0.0069 0.0040 0.0113 ( 4909 PWs) bands (ev): -78.2122 -78.2122 -43.9123 -43.9123 -42.1808 -42.1808 -42.1808 -42.1808 -10.9390 -10.9390 -10.9390 -10.9389 -7.9866 -7.9865 -7.9865 -7.9865 -7.9691 -7.9691 0.8801 0.8801 10.0077 10.0077 10.8936 10.8987 10.9003 10.9050 11.3417 11.3462 11.3492 11.3549 12.6553 12.6558 12.7988 12.7996 12.8024 12.8025 14.5560 14.5564 14.9263 14.9272 15.1311 15.1410 15.1425 15.1445 k = 0.0000 0.0000 0.0000 ( 4909 PWs) bands (ev): -78.2122 -78.2122 -43.9123 -43.9123 -42.1808 -42.1808 -42.1808 -42.1808 -10.9390 -10.9390 -10.9390 -10.9390 -7.9865 -7.9865 -7.9865 -7.9865 -7.9691 -7.9691 0.8789 0.8789 10.0104 10.0104 10.9022 10.9022 10.9022 10.9022 11.3457 11.3457 11.3457 11.3457 12.6595 12.6595 12.8034 12.8034 12.8034 12.8034 14.5598 14.5598 14.9276 14.9276 15.1411 15.1411 15.1411 15.1411 k = 0.0000 0.0000 0.0000 ( 4909 PWs) bands (ev): -78.2122 -78.2122 -43.9123 -43.9123 -42.1808 -42.1808 -42.1808 -42.1808 -10.9390 -10.9390 -10.9390 -10.9390 -7.9865 -7.9865 -7.9865 -7.9865 -7.9691 -7.9691 0.8789 0.8789 10.0104 10.0104 10.9022 10.9022 10.9022 10.9022 11.3457 11.3457 11.3457 11.3457 12.6595 12.6595 12.8034 12.8034 12.8034 12.8034 14.5598 14.5598 14.9276 14.9276 15.1411 15.1411 15.1411 15.1411 k = 0.0114 0.0066 0.0046 ( 4909 PWs) bands (ev): -78.2122 -78.2122 -43.9123 -43.9123 -42.1808 -42.1808 -42.1808 -42.1808 -10.9390 -10.9390 -10.9390 -10.9389 -7.9866 -7.9865 -7.9865 -7.9865 -7.9691 -7.9691 0.8801 0.8801 10.0077 10.0077 10.8939 10.8996 10.8996 10.9045 11.3417 11.3476 11.3476 11.3551 12.6555 12.6555 12.7991 12.7991 12.8025 12.8027 14.5562 14.5562 14.9267 14.9267 15.1301 15.1422 15.1435 15.1435 k = 0.0227 0.0131 0.0093 ( 4909 PWs) bands (ev): -78.2122 -78.2122 -43.9123 -43.9123 -42.1808 -42.1808 -42.1808 -42.1808 -10.9390 -10.9389 -10.9389 -10.9389 -7.9865 -7.9865 -7.9865 -7.9863 -7.9690 -7.9690 0.8837 0.8837 9.9995 9.9995 10.8804 10.8919 10.8919 10.9008 11.3434 11.3534 11.3534 11.3693 12.6430 12.6430 12.7870 12.7870 12.7999 12.8004 14.5465 14.5465 14.9214 14.9214 15.1105 15.1335 15.1541 15.1541 k = 0.0341 0.0197 0.0139 ( 4897 PWs) bands (ev): -78.2119 -78.2119 -43.9122 -43.9122 -42.1807 -42.1807 -42.1807 -42.1807 -10.9390 -10.9389 -10.9389 -10.9388 -7.9864 -7.9864 -7.9864 -7.9861 -7.9689 -7.9689 0.8897 0.8897 9.9861 9.9861 10.8626 10.8796 10.8796 10.8912 11.3511 11.3633 11.3633 11.3879 12.6207 12.6207 12.7694 12.7694 12.7958 12.7966 14.5334 14.5334 14.9077 14.9077 15.0845 15.1169 15.1790 15.1790 k = 0.0455 0.0262 0.0186 ( 4879 PWs) bands (ev): -78.2114 -78.2114 -43.9121 -43.9121 -42.1807 -42.1807 -42.1806 -42.1806 -10.9390 -10.9388 -10.9388 -10.9387 -7.9863 -7.9863 -7.9863 -7.9858 -7.9688 -7.9688 0.8981 0.8981 9.9675 9.9675 10.8416 10.8625 10.8625 10.8767 11.3635 11.3764 11.3764 11.4096 12.5871 12.5871 12.7493 12.7493 12.7901 12.7915 14.5192 14.5192 14.8857 14.8857 15.0541 15.0940 15.2196 15.2196 k = 0.0568 0.0328 0.0232 ( 4870 PWs) bands (ev): -78.2112 -78.2112 -43.9120 -43.9120 -42.1806 -42.1806 -42.1805 -42.1805 -10.9389 -10.9386 -10.9386 -10.9386 -7.9862 -7.9862 -7.9861 -7.9855 -7.9687 -7.9687 0.9088 0.9088 9.9435 9.9435 10.8176 10.8400 10.8400 10.8576 11.3798 11.3922 11.3922 11.4335 12.5419 12.5419 12.7289 12.7289 12.7830 12.7850 14.5050 14.5050 14.8586 14.8586 15.0213 15.0670 15.2736 15.2736 k = 0.0682 0.0394 0.0278 ( 4864 PWs) bands (ev): -78.2111 -78.2111 -43.9120 -43.9120 -42.1806 -42.1806 -42.1805 -42.1805 -10.9388 -10.9385 -10.9385 -10.9384 -7.9861 -7.9861 -7.9858 -7.9851 -7.9686 -7.9686 0.9219 0.9219 9.9146 9.9146 10.7915 10.8130 10.8130 10.8351 11.3985 11.4098 11.4098 11.4585 12.4866 12.4866 12.7091 12.7091 12.7746 12.7773 14.4930 14.4930 14.8300 14.8300 14.9874 15.0374 15.3378 15.3378 k = 0.0795 0.0459 0.0325 ( 4846 PWs) bands (ev): -78.2107 -78.2107 -43.9119 -43.9119 -42.1805 -42.1805 -42.1804 -42.1804 -10.9388 -10.9383 -10.9383 -10.9383 -7.9860 -7.9860 -7.9854 -7.9847 -7.9684 -7.9684 0.9372 0.9372 9.8810 9.8810 10.7643 10.7815 10.7815 10.8102 11.4196 11.4294 11.4294 11.4848 12.4237 12.4237 12.6899 12.6899 12.7650 12.7688 14.4838 14.4838 14.8027 14.8027 14.9543 15.0075 15.4102 15.4102 k = 0.0909 0.0525 0.0371 ( 4846 PWs) bands (ev): -78.2107 -78.2107 -43.9119 -43.9119 -42.1805 -42.1805 -42.1804 -42.1804 -10.9386 -10.9381 -10.9381 -10.9381 -7.9858 -7.9858 -7.9851 -7.9842 -7.9682 -7.9682 0.9548 0.9548 9.8423 9.8423 10.7353 10.7452 10.7452 10.7826 11.4415 11.4498 11.4498 11.5108 12.3557 12.3557 12.6711 12.6711 12.7544 12.7594 14.4770 14.4770 14.7774 14.7774 14.9220 14.9776 15.4887 15.4887 k = 0.1023 0.0590 0.0418 ( 4846 PWs) bands (ev): -78.2107 -78.2107 -43.9119 -43.9119 -42.1805 -42.1805 -42.1804 -42.1804 -10.9385 -10.9379 -10.9379 -10.9379 -7.9856 -7.9856 -7.9846 -7.9837 -7.9679 -7.9679 0.9747 0.9747 9.7991 9.7991 10.7044 10.7044 10.7055 10.7536 11.4638 11.4708 11.4708 11.5368 12.2852 12.2852 12.6527 12.6527 12.7430 12.7495 14.4732 14.4732 14.7553 14.7553 14.8917 14.9488 15.5724 15.5724 k = 0.1136 0.0656 0.0464 ( 4852 PWs) bands (ev): -78.2109 -78.2109 -43.9119 -43.9119 -42.1805 -42.1805 -42.1805 -42.1805 -10.9384 -10.9378 -10.9377 -10.9377 -7.9854 -7.9854 -7.9841 -7.9831 -7.9677 -7.9677 0.9967 0.9967 9.7510 9.7510 10.6591 10.6591 10.6751 10.7235 11.4861 11.4918 11.4918 11.5622 12.2143 12.2143 12.6346 12.6346 12.7312 12.7393 14.4719 14.4719 14.7364 14.7364 14.8637 14.9219 15.6604 15.6604 k = 0.1250 0.0722 0.0510 ( 4852 PWs) bands (ev): -78.2109 -78.2109 -43.9119 -43.9119 -42.1805 -42.1805 -42.1805 -42.1805 -10.9382 -10.9375 -10.9374 -10.9374 -7.9851 -7.9851 -7.9836 -7.9825 -7.9674 -7.9674 1.0208 1.0208 9.6984 9.6984 10.6099 10.6099 10.6443 10.6927 11.5083 11.5130 11.5130 11.5869 12.1450 12.1450 12.6171 12.6171 12.7191 12.7291 14.4735 14.4735 14.7212 14.7212 14.8387 14.8973 15.7522 15.7522 k = 0.1364 0.0787 0.0557 ( 4834 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9118 -42.1804 -42.1804 -42.1804 -42.1804 -10.9381 -10.9373 -10.9371 -10.9371 -7.9849 -7.9849 -7.9830 -7.9818 -7.9671 -7.9671 1.0470 1.0470 9.6412 9.6412 10.5573 10.5573 10.6139 10.6617 11.5306 11.5344 11.5344 11.6114 12.0789 12.0789 12.6006 12.6006 12.7072 12.7191 14.4777 14.4777 14.7099 14.7099 14.8173 14.8760 15.8476 15.8476 k = 0.1477 0.0853 0.0603 ( 4834 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9118 -42.1804 -42.1804 -42.1804 -42.1804 -10.9379 -10.9371 -10.9368 -10.9368 -7.9846 -7.9846 -7.9824 -7.9811 -7.9667 -7.9667 1.0752 1.0752 9.5791 9.5791 10.5013 10.5013 10.5828 10.6300 11.5512 11.5542 11.5542 11.6338 12.0167 12.0167 12.5851 12.5851 12.6956 12.7097 14.4837 14.4837 14.7014 14.7014 14.7984 14.8569 15.9453 15.9453 k = 0.1591 0.0919 0.0649 ( 4840 PWs) bands (ev): -78.2106 -78.2106 -43.9118 -43.9118 -42.1805 -42.1805 -42.1804 -42.1804 -10.9377 -10.9369 -10.9365 -10.9365 -7.9844 -7.9844 -7.9817 -7.9804 -7.9664 -7.9664 1.1052 1.1052 9.5121 9.5121 10.4428 10.4428 10.5518 10.5980 11.5702 11.5723 11.5723 11.6542 11.9593 11.9593 12.5710 12.5710 12.6848 12.7009 14.4915 14.4915 14.6959 14.6959 14.7825 14.8405 16.0454 16.0454 k = 0.1705 0.0984 0.0696 ( 4840 PWs) bands (ev): -78.2106 -78.2106 -43.9118 -43.9118 -42.1805 -42.1805 -42.1804 -42.1804 -10.9375 -10.9366 -10.9361 -10.9361 -7.9841 -7.9841 -7.9810 -7.9796 -7.9660 -7.9660 1.1371 1.1371 9.4402 9.4402 10.3827 10.3827 10.5210 10.5661 11.5879 11.5892 11.5892 11.6730 11.9073 11.9073 12.5586 12.5586 12.6749 12.6932 14.5011 14.5011 14.6934 14.6934 14.7702 14.8273 16.1474 16.1474 k = 0.1818 0.1050 0.0742 ( 4837 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9118 -42.1805 -42.1805 -42.1804 -42.1804 -10.9372 -10.9364 -10.9358 -10.9358 -7.9838 -7.9838 -7.9802 -7.9788 -7.9656 -7.9656 1.1708 1.1708 9.3636 9.3636 10.3218 10.3218 10.4905 10.5344 11.6040 11.6041 11.6041 11.6898 11.8610 11.8610 12.5483 12.5483 12.6664 12.6867 14.5124 14.5124 14.6937 14.6937 14.7610 14.8172 16.2510 16.2510 k = 0.1932 0.1115 0.0789 ( 4831 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9118 -42.1804 -42.1804 -42.1804 -42.1804 -10.9370 -10.9361 -10.9354 -10.9354 -7.9835 -7.9835 -7.9795 -7.9780 -7.9652 -7.9652 1.2061 1.2061 9.2823 9.2823 10.2611 10.2611 10.4603 10.5030 11.6166 11.6166 11.6181 11.7042 11.8206 11.8206 12.5403 12.5403 12.6596 12.6816 14.5254 14.5254 14.6967 14.6967 14.7550 14.8100 16.3556 16.3556 k = 0.2045 0.1181 0.0835 ( 4831 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1804 -42.1804 -42.1804 -42.1804 -10.9368 -10.9358 -10.9351 -10.9351 -7.9832 -7.9832 -7.9787 -7.9772 -7.9648 -7.9648 1.2429 1.2429 9.1966 9.1966 10.2009 10.2009 10.4306 10.4718 11.6261 11.6261 11.6302 11.7160 11.7857 11.7857 12.5346 12.5346 12.6545 12.6782 14.5393 14.5393 14.7019 14.7019 14.7521 14.8058 16.4607 16.4607 k = 0.2159 0.1247 0.0881 ( 4831 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1804 -42.1804 -42.1804 -42.1804 -10.9365 -10.9356 -10.9347 -10.9347 -7.9828 -7.9828 -7.9779 -7.9764 -7.9644 -7.9644 1.2811 1.2811 9.1067 9.1067 10.1421 10.1421 10.4013 10.4411 11.6324 11.6324 11.6402 11.7253 11.7567 11.7567 12.5314 12.5314 12.6513 12.6764 14.5543 14.5543 14.7094 14.7094 14.7523 14.8044 16.5658 16.5658 k = 0.2273 0.1312 0.0928 ( 4822 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9117 -42.1804 -42.1804 -42.1803 -42.1803 -10.9363 -10.9353 -10.9343 -10.9343 -7.9825 -7.9825 -7.9770 -7.9755 -7.9640 -7.9640 1.3205 1.3205 9.0134 9.0134 10.0853 10.0853 10.3729 10.4112 11.6351 11.6351 11.6483 11.7323 11.7338 11.7338 12.5310 12.5310 12.6504 12.6764 14.5705 14.5705 14.7193 14.7193 14.7558 14.8063 16.6702 16.6702 k = 0.2386 0.1378 0.0974 ( 4822 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9117 -42.1804 -42.1804 -42.1803 -42.1803 -10.9360 -10.9350 -10.9339 -10.9339 -7.9822 -7.9822 -7.9762 -7.9747 -7.9636 -7.9636 1.3611 1.3611 8.9171 8.9171 10.0305 10.0305 10.3449 10.3816 11.6335 11.6335 11.6540 11.7169 11.7169 11.7363 12.5328 12.5328 12.6515 12.6781 14.5878 14.5878 14.7309 14.7309 14.7617 14.8106 16.7725 16.7725 k = 0.2500 0.1443 0.1021 ( 4822 PWs) bands (ev): -78.2101 -78.2101 -43.9116 -43.9116 -42.1804 -42.1804 -42.1803 -42.1803 -10.9357 -10.9348 -10.9335 -10.9335 -7.9818 -7.9818 -7.9753 -7.9738 -7.9632 -7.9632 1.4027 1.4027 8.8185 8.8185 9.9781 9.9781 10.3175 10.3527 11.6281 11.6281 11.6578 11.7052 11.7052 11.7379 12.5369 12.5369 12.6545 12.6814 14.6061 14.6061 14.7444 14.7444 14.7705 14.8176 16.8712 16.8712 k = 0.2614 0.1509 0.1067 ( 4822 PWs) bands (ev): -78.2101 -78.2101 -43.9116 -43.9116 -42.1804 -42.1804 -42.1803 -42.1803 -10.9355 -10.9345 -10.9331 -10.9331 -7.9815 -7.9815 -7.9745 -7.9730 -7.9627 -7.9627 1.4450 1.4450 8.7184 8.7184 9.9283 9.9283 10.2910 10.3245 11.6206 11.6206 11.6596 11.6974 11.6974 11.7372 12.5432 12.5432 12.6594 12.6863 14.6254 14.6254 14.7598 14.7598 14.7818 14.8271 16.9634 16.9634 k = 0.2727 0.1575 0.1113 ( 4834 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1805 -42.1805 -42.1803 -42.1803 -10.9352 -10.9342 -10.9328 -10.9328 -7.9812 -7.9812 -7.9736 -7.9721 -7.9623 -7.9623 1.4880 1.4880 8.6173 8.6173 9.8809 9.8809 10.2650 10.2969 11.6120 11.6120 11.6592 11.6913 11.6913 11.7339 12.5511 12.5511 12.6659 12.6924 14.6455 14.6455 14.7766 14.7766 14.7952 14.8387 17.0433 17.0433 k = 0.2841 0.1640 0.1160 ( 4834 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1805 -42.1805 -42.1803 -42.1803 -10.9349 -10.9340 -10.9324 -10.9324 -7.9809 -7.9809 -7.9728 -7.9713 -7.9619 -7.9619 1.5314 1.5314 8.5161 8.5161 9.8362 9.8362 10.2402 10.2704 11.6041 11.6041 11.6577 11.6865 11.6865 11.7292 12.5608 12.5608 12.6740 12.6999 14.6668 14.6668 14.7953 14.7953 14.8113 14.8529 17.0999 17.0999 k = 0.2955 0.1706 0.1206 ( 4831 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9117 -42.1805 -42.1805 -42.1803 -42.1803 -10.9347 -10.9337 -10.9320 -10.9320 -7.9805 -7.9805 -7.9719 -7.9705 -7.9614 -7.9614 1.5751 1.5751 8.4155 8.4155 9.7941 9.7941 10.2164 10.2449 11.5971 11.5971 11.6550 11.6821 11.6821 11.7230 12.5721 12.5721 12.6834 12.7085 14.6888 14.6888 14.8156 14.8156 14.8296 14.8693 17.1157 17.1157 k = 0.3068 0.1771 0.1253 ( 4834 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1805 -42.1805 -42.1803 -42.1803 -10.9344 -10.9335 -10.9316 -10.9316 -7.9802 -7.9802 -7.9711 -7.9697 -7.9610 -7.9610 1.6187 1.6187 8.3160 8.3160 9.7544 9.7544 10.1934 10.2204 11.5909 11.5909 11.6510 11.6780 11.6780 11.7153 12.5841 12.5841 12.6937 12.7177 14.7118 14.7118 14.8373 14.8373 14.8497 14.8874 17.0804 17.0804 k = 0.3182 0.1837 0.1299 ( 4834 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9117 -42.1805 -42.1805 -42.1803 -42.1803 -10.9341 -10.9333 -10.9313 -10.9313 -7.9799 -7.9799 -7.9703 -7.9689 -7.9606 -7.9606 1.6621 1.6621 8.2184 8.2184 9.7172 9.7172 10.1716 10.1969 11.5857 11.5857 11.6462 11.6743 11.6743 11.7068 12.5968 12.5968 12.7046 12.7275 14.7358 14.7358 14.8602 14.8602 14.8716 14.9073 17.0059 17.0059 k = 0.3295 0.1903 0.1345 ( 4813 PWs) bands (ev): -78.2097 -78.2097 -43.9115 -43.9115 -42.1803 -42.1803 -42.1802 -42.1802 -10.9339 -10.9330 -10.9309 -10.9309 -7.9796 -7.9796 -7.9695 -7.9682 -7.9602 -7.9602 1.7051 1.7051 8.1233 8.1233 9.6826 9.6826 10.1510 10.1746 11.5819 11.5819 11.6418 11.6721 11.6721 11.6985 12.6102 12.6102 12.7164 12.7379 14.7614 14.7614 14.8848 14.8848 14.8953 14.9290 16.9103 16.9103 k = 0.3409 0.1968 0.1392 ( 4828 PWs) bands (ev): -78.2101 -78.2101 -43.9116 -43.9116 -42.1804 -42.1804 -42.1802 -42.1802 -10.9336 -10.9328 -10.9306 -10.9306 -7.9794 -7.9794 -7.9687 -7.9674 -7.9598 -7.9598 1.7472 1.7472 8.0312 8.0312 9.6501 9.6501 10.1313 10.1533 11.5771 11.5771 11.6353 11.6692 11.6692 11.6881 12.6233 12.6233 12.7278 12.7479 14.7869 14.7869 14.9096 14.9096 14.9195 14.9512 16.8045 16.8045 k = 0.3523 0.2034 0.1438 ( 4834 PWs) bands (ev): -78.2102 -78.2102 -43.9116 -43.9116 -42.1805 -42.1805 -42.1802 -42.1802 -10.9334 -10.9326 -10.9302 -10.9302 -7.9791 -7.9791 -7.9680 -7.9668 -7.9595 -7.9595 1.7884 1.7884 7.9426 7.9426 9.6200 9.6200 10.1128 10.1331 11.5729 11.5729 11.6290 11.6678 11.6678 11.6778 12.6362 12.6362 12.7391 12.7579 14.8140 14.8140 14.9354 14.9354 14.9447 14.9744 16.6947 16.6947 k = 0.3636 0.2099 0.1485 ( 4828 PWs) bands (ev): -78.2101 -78.2101 -43.9116 -43.9116 -42.1804 -42.1804 -42.1802 -42.1802 -10.9332 -10.9325 -10.9299 -10.9299 -7.9788 -7.9788 -7.9673 -7.9661 -7.9591 -7.9591 1.8282 1.8282 7.8582 7.8582 9.5922 9.5922 10.0956 10.1144 11.5692 11.5692 11.6230 11.6678 11.6680 11.6680 12.6491 12.6491 12.7505 12.7679 14.8425 14.8425 14.9620 14.9620 14.9707 14.9984 16.5841 16.5841 k = 0.3750 0.2165 0.1531 ( 4837 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1805 -42.1805 -42.1803 -42.1803 -10.9330 -10.9323 -10.9297 -10.9297 -7.9786 -7.9786 -7.9666 -7.9655 -7.9588 -7.9588 1.8664 1.8664 7.7783 7.7783 9.5666 9.5666 10.0796 10.0967 11.5648 11.5648 11.6166 11.6576 11.6687 11.6687 12.6611 12.6611 12.7612 12.7771 14.8718 14.8718 14.9888 14.9888 14.9967 15.0223 16.4744 16.4744 k = 0.3864 0.2231 0.1577 ( 4832 PWs) bands (ev): -78.2101 -78.2101 -43.9116 -43.9116 -42.1805 -42.1805 -42.1802 -42.1802 -10.9327 -10.9321 -10.9294 -10.9294 -7.9784 -7.9784 -7.9660 -7.9650 -7.9585 -7.9585 1.9027 1.9027 7.7035 7.7035 9.5434 9.5434 10.0651 10.0806 11.5608 11.5608 11.6114 11.6484 11.6704 11.6704 12.6730 12.6730 12.7719 12.7863 14.9019 14.9019 15.0161 15.0161 15.0229 15.0464 16.3667 16.3667 k = 0.3977 0.2296 0.1624 ( 4838 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1805 -42.1805 -42.1802 -42.1802 -10.9326 -10.9320 -10.9291 -10.9291 -7.9782 -7.9782 -7.9654 -7.9645 -7.9582 -7.9582 1.9367 1.9367 7.6342 7.6342 9.5224 9.5224 10.0518 10.0657 11.5562 11.5562 11.6055 11.6386 11.6729 11.6729 12.6840 12.6840 12.7817 12.7946 14.9331 14.9331 15.0435 15.0435 15.0482 15.0696 16.2622 16.2622 k = 0.4091 0.2362 0.1670 ( 4844 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9117 -42.1806 -42.1806 -42.1802 -42.1802 -10.9324 -10.9319 -10.9289 -10.9289 -7.9780 -7.9780 -7.9649 -7.9641 -7.9580 -7.9580 1.9682 1.9682 7.5709 7.5709 9.5036 9.5036 10.0400 10.0523 11.5516 11.5516 11.6002 11.6296 11.6755 11.6755 12.6943 12.6943 12.7910 12.8025 14.9643 14.9643 15.0712 15.0712 15.0726 15.0918 16.1611 16.1611 k = 0.4205 0.2427 0.1716 ( 4850 PWs) bands (ev): -78.2106 -78.2106 -43.9117 -43.9117 -42.1806 -42.1806 -42.1802 -42.1802 -10.9322 -10.9318 -10.9287 -10.9287 -7.9778 -7.9778 -7.9644 -7.9637 -7.9578 -7.9578 1.9969 1.9969 7.5139 7.5139 9.4870 9.4870 10.0295 10.0402 11.5475 11.5475 11.5956 11.6211 11.6790 11.6790 12.7030 12.7030 12.7989 12.8089 14.9956 14.9956 15.0956 15.0998 15.0998 15.1125 16.0645 16.0645 k = 0.4318 0.2493 0.1763 ( 4850 PWs) bands (ev): -78.2106 -78.2106 -43.9117 -43.9117 -42.1806 -42.1806 -42.1802 -42.1802 -10.9321 -10.9317 -10.9285 -10.9285 -7.9777 -7.9777 -7.9640 -7.9633 -7.9576 -7.9576 2.0224 2.0224 7.4637 7.4637 9.4726 9.4726 10.0205 10.0297 11.5438 11.5438 11.5918 11.6136 11.6827 11.6827 12.7110 12.7110 12.8063 12.8149 15.0253 15.0253 15.1168 15.1300 15.1300 15.1315 15.9728 15.9728 k = 0.4432 0.2559 0.1809 ( 4853 PWs) bands (ev): -78.2106 -78.2106 -43.9117 -43.9117 -42.1806 -42.1806 -42.1803 -42.1803 -10.9319 -10.9316 -10.9284 -10.9284 -7.9775 -7.9775 -7.9636 -7.9630 -7.9574 -7.9574 2.0445 2.0445 7.4206 7.4206 9.4605 9.4605 10.0129 10.0205 11.5404 11.5404 11.5886 11.6068 11.6861 11.6861 12.7178 12.7178 12.8127 12.8198 15.0520 15.0520 15.1358 15.1480 15.1626 15.1626 15.8867 15.8867 k = 0.4545 0.2624 0.1856 ( 4859 PWs) bands (ev): -78.2108 -78.2108 -43.9118 -43.9118 -42.1807 -42.1807 -42.1803 -42.1803 -10.9318 -10.9315 -10.9283 -10.9283 -7.9774 -7.9774 -7.9633 -7.9628 -7.9572 -7.9572 2.0630 2.0630 7.3849 7.3849 9.4505 9.4505 10.0068 10.0129 11.5373 11.5373 11.5861 11.6005 11.6890 11.6890 12.7234 12.7234 12.8181 12.8238 15.0743 15.0743 15.1521 15.1619 15.1978 15.1978 15.8070 15.8070 k = 0.4659 0.2690 0.1902 ( 4859 PWs) bands (ev): -78.2108 -78.2108 -43.9118 -43.9118 -42.1807 -42.1807 -42.1803 -42.1803 -10.9317 -10.9315 -10.9282 -10.9282 -7.9774 -7.9774 -7.9630 -7.9627 -7.9571 -7.9571 2.0776 2.0776 7.3569 7.3569 9.4428 9.4428 10.0023 10.0068 11.5350 11.5350 11.5847 11.5955 11.6917 11.6917 12.7279 12.7279 12.8226 12.8268 15.0917 15.0917 15.1655 15.1729 15.2348 15.2348 15.7356 15.7356 k = 0.4773 0.2756 0.1948 ( 4841 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1805 -42.1805 -42.1802 -42.1802 -10.9316 -10.9315 -10.9281 -10.9281 -7.9773 -7.9773 -7.9628 -7.9626 -7.9570 -7.9570 2.0882 2.0882 7.3367 7.3367 9.4373 9.4373 9.9992 10.0023 11.5344 11.5344 11.5851 11.5923 11.6946 11.6946 12.7313 12.7313 12.8261 12.8290 15.1043 15.1043 15.1759 15.1809 15.2708 15.2708 15.6760 15.6760 k = 0.4886 0.2821 0.1995 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9117 -42.1806 -42.1806 -42.1803 -42.1803 -10.9316 -10.9315 -10.9280 -10.9280 -7.9773 -7.9773 -7.9626 -7.9625 -7.9570 -7.9570 2.0945 2.0945 7.3245 7.3245 9.4340 9.4340 9.9977 9.9992 11.5329 11.5329 11.5850 11.5886 11.6956 11.6956 12.7330 12.7330 12.8282 12.8296 15.1115 15.1115 15.1825 15.1850 15.2987 15.2987 15.6333 15.6333 k = 0.5000 0.2887 0.2041 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9117 -42.1806 -42.1806 -42.1803 -42.1803 -10.9315 -10.9315 -10.9280 -10.9280 -7.9773 -7.9773 -7.9626 -7.9626 -7.9570 -7.9570 2.0967 2.0967 7.3205 7.3205 9.4329 9.4329 9.9977 9.9977 11.5326 11.5326 11.5864 11.5864 11.6960 11.6960 12.7336 12.7336 12.8295 12.8295 15.1139 15.1139 15.1856 15.1856 15.3099 15.3099 15.6173 15.6173 k = 0.5000 0.2887 0.2041 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9117 -42.1806 -42.1806 -42.1803 -42.1803 -10.9315 -10.9315 -10.9280 -10.9280 -7.9773 -7.9773 -7.9626 -7.9626 -7.9570 -7.9570 2.0967 2.0967 7.3205 7.3205 9.4329 9.4329 9.9977 9.9977 11.5326 11.5326 11.5864 11.5864 11.6960 11.6960 12.7336 12.7336 12.8295 12.8295 15.1139 15.1139 15.1856 15.1856 15.3099 15.3099 15.6173 15.6173 k = 0.5039 0.2774 0.2105 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9117 -42.1806 -42.1806 -42.1803 -42.1803 -10.9315 -10.9315 -10.9280 -10.9280 -7.9773 -7.9772 -7.9626 -7.9626 -7.9570 -7.9570 2.0966 2.0970 7.3190 7.3251 9.4279 9.4373 9.9973 9.9974 11.5325 11.5335 11.5868 11.5868 11.6957 11.6962 12.7298 12.7347 12.8280 12.8280 15.1056 15.1160 15.1822 15.1827 15.3084 15.3089 15.6268 15.6280 k = 0.5078 0.2661 0.2169 ( 4839 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9315 -10.9315 -10.9281 -10.9280 -7.9773 -7.9772 -7.9626 -7.9626 -7.9570 -7.9569 2.0969 2.0976 7.3206 7.3328 9.4224 9.4413 9.9965 9.9966 11.5338 11.5358 11.5887 11.5887 11.6957 11.6968 12.7236 12.7336 12.8239 12.8241 15.0896 15.1124 15.1738 15.1770 15.3049 15.3061 15.6549 15.6568 k = 0.5117 0.2548 0.2233 ( 4838 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9315 -10.9315 -10.9281 -10.9281 -7.9773 -7.9772 -7.9627 -7.9627 -7.9570 -7.9569 2.0974 2.0984 7.3253 7.3437 9.4163 9.4448 9.9950 9.9953 11.5355 11.5385 11.5911 11.5912 11.6956 11.6972 12.7140 12.7293 12.8165 12.8171 15.0651 15.1011 15.1644 15.1717 15.3001 15.3020 15.6976 15.6998 k = 0.5156 0.2436 0.2296 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9315 -10.9315 -10.9281 -10.9281 -7.9773 -7.9771 -7.9628 -7.9628 -7.9570 -7.9568 2.0982 2.0995 7.3330 7.3576 9.4093 9.4476 9.9929 9.9936 11.5380 11.5420 11.5943 11.5945 11.6954 11.6975 12.7015 12.7223 12.8062 12.8074 15.0339 15.0819 15.1579 15.1684 15.2945 15.2972 15.7505 15.7530 k = 0.5195 0.2323 0.2360 ( 4844 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9315 -10.9315 -10.9282 -10.9281 -7.9773 -7.9771 -7.9630 -7.9630 -7.9570 -7.9568 2.0992 2.1009 7.3437 7.3746 9.4015 9.4498 9.9904 9.9918 11.5411 11.5461 11.5981 11.5985 11.6953 11.6979 12.6862 12.7127 12.7932 12.7955 14.9987 15.0572 15.1544 15.1667 15.2884 15.2917 15.8105 15.8133 k = 0.5234 0.2210 0.2424 ( 4841 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9282 -10.9282 -7.9774 -7.9771 -7.9632 -7.9631 -7.9570 -7.9567 2.1006 2.1026 7.3574 7.3947 9.3926 9.4512 9.9876 9.9899 11.5455 11.5513 11.6033 11.6039 11.6955 11.6985 12.6681 12.7006 12.7781 12.7817 14.9616 15.0298 15.1529 15.1663 15.2820 15.2860 15.8750 15.8786 k = 0.5273 0.2097 0.2488 ( 4845 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9116 -42.1807 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9283 -10.9282 -7.9774 -7.9770 -7.9634 -7.9634 -7.9570 -7.9566 2.1021 2.1044 7.3740 7.4178 9.3826 9.4518 9.9846 9.9882 11.5502 11.5570 11.6091 11.6100 11.6957 11.6990 12.6468 12.6857 12.7606 12.7659 14.9237 15.0014 15.1524 15.1667 15.2755 15.2800 15.9419 15.9468 k = 0.5312 0.1985 0.2552 ( 4845 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9116 -42.1807 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9283 -10.9283 -7.9774 -7.9770 -7.9636 -7.9636 -7.9570 -7.9565 2.1039 2.1065 7.3934 7.4439 9.3713 9.4513 9.9819 9.9869 11.5557 11.5634 11.6157 11.6171 11.6962 11.6999 12.6233 12.6684 12.7415 12.7485 14.8859 14.9731 15.1525 15.1676 15.2693 15.2741 16.0094 16.0162 k = 0.5352 0.1872 0.2615 ( 4841 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1806 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9284 -10.9283 -7.9774 -7.9769 -7.9639 -7.9639 -7.9569 -7.9564 2.1060 2.1089 7.4155 7.4729 9.3585 9.4496 9.9796 9.9863 11.5619 11.5704 11.6230 11.6252 11.6973 11.7010 12.5975 12.6487 12.7212 12.7299 14.8482 14.9446 15.1532 15.1690 15.2637 15.2686 16.0760 16.0851 k = 0.5391 0.1759 0.2679 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1806 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9285 -10.9284 -7.9774 -7.9769 -7.9642 -7.9642 -7.9569 -7.9563 2.1082 2.1114 7.4403 7.5048 9.3441 9.4465 9.9779 9.9864 11.5683 11.5776 11.6309 11.6341 11.6988 11.7023 12.5694 12.6265 12.6995 12.7098 14.8108 14.9162 15.1544 15.1708 15.2591 15.2637 16.1395 16.1516 k = 0.5430 0.1646 0.2743 ( 4839 PWs) bands (ev): -78.2103 -78.2102 -43.9117 -43.9115 -42.1806 -42.1805 -42.1802 -42.1801 -10.9316 -10.9316 -10.9286 -10.9285 -7.9775 -7.9768 -7.9645 -7.9645 -7.9568 -7.9561 2.1107 2.1141 7.4676 7.5395 9.3280 9.4418 9.9772 9.9876 11.5750 11.5848 11.6390 11.6436 11.7014 11.7041 12.5395 12.6020 12.6769 12.6884 14.7737 14.8875 15.1561 15.1729 15.2556 15.2597 16.1979 16.2134 k = 0.5469 0.1534 0.2807 ( 4837 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9115 -42.1806 -42.1804 -42.1802 -42.1801 -10.9317 -10.9316 -10.9287 -10.9285 -7.9775 -7.9768 -7.9648 -7.9648 -7.9567 -7.9560 2.1133 2.1169 7.4972 7.5768 9.3101 9.4355 9.9776 9.9899 11.5816 11.5919 11.6472 11.6536 11.7054 11.7066 12.5080 12.5754 12.6537 12.6661 14.7367 14.8583 15.1586 15.1753 15.2537 15.2570 16.2489 16.2679 k = 0.5508 0.1421 0.2870 ( 4837 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9115 -42.1806 -42.1804 -42.1802 -42.1801 -10.9317 -10.9316 -10.9288 -10.9286 -7.9775 -7.9767 -7.9652 -7.9652 -7.9567 -7.9558 2.1161 2.1199 7.5292 7.6168 9.2904 9.4275 9.9794 9.9934 11.5881 11.5985 11.6554 11.6640 11.7102 11.7111 12.4751 12.5471 12.6294 12.6423 14.6999 14.8284 15.1620 15.1781 15.2533 15.2555 16.2899 16.3123 k = 0.5547 0.1308 0.2934 ( 4842 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9317 -10.9316 -10.9289 -10.9287 -7.9776 -7.9767 -7.9656 -7.9656 -7.9565 -7.9556 2.1190 2.1230 7.5632 7.6592 9.2690 9.4176 9.9828 9.9983 11.5938 11.6038 11.6631 11.6740 11.7153 11.7189 12.4407 12.5168 12.6045 12.6177 14.6628 14.7973 15.1667 15.1815 15.2546 15.2555 16.3184 16.3433 k = 0.5586 0.1195 0.2998 ( 4845 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1807 -42.1805 -42.1802 -42.1802 -10.9317 -10.9316 -10.9290 -10.9288 -7.9776 -7.9766 -7.9660 -7.9660 -7.9564 -7.9555 2.1220 2.1262 7.5991 7.7040 9.2459 9.4062 9.9879 10.0047 11.5984 11.6078 11.6706 11.6836 11.7223 11.7288 12.4060 12.4858 12.5792 12.5925 14.6258 14.7653 15.1726 15.1855 15.2569 15.2575 16.3325 16.3588 k = 0.5625 0.1083 0.3062 ( 4854 PWs) bands (ev): -78.2106 -78.2106 -43.9118 -43.9116 -42.1808 -42.1805 -42.1802 -42.1802 -10.9318 -10.9316 -10.9291 -10.9289 -7.9777 -7.9766 -7.9665 -7.9664 -7.9563 -7.9553 2.1250 2.1295 7.6368 7.7510 9.2211 9.3931 9.9947 10.0124 11.6019 11.6102 11.6782 11.6923 11.7318 11.7408 12.3701 12.4533 12.5530 12.5662 14.5885 14.7320 15.1801 15.1903 15.2597 15.2619 16.3315 16.3581 k = 0.5664 0.0970 0.3126 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9318 -10.9316 -10.9293 -10.9289 -7.9777 -7.9765 -7.9669 -7.9668 -7.9562 -7.9551 2.1281 2.1327 7.6759 7.8001 9.1950 9.3787 10.0035 10.0217 11.6048 11.6116 11.6870 11.7011 11.7443 11.7551 12.3347 12.4211 12.5270 12.5398 14.5514 14.6981 15.1895 15.1963 15.2641 15.2682 16.3164 16.3423 k = 0.5703 0.0857 0.3189 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9318 -10.9316 -10.9294 -10.9290 -7.9778 -7.9765 -7.9674 -7.9673 -7.9560 -7.9548 2.1312 2.1360 7.7162 7.8510 9.1676 9.3633 10.0140 10.0324 11.6056 11.6109 11.6957 11.7091 11.7584 11.7707 12.2991 12.3883 12.5005 12.5128 14.5141 14.6630 15.2004 15.2035 15.2695 15.2759 16.2894 16.3143 k = 0.5742 0.0744 0.3253 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9319 -10.9316 -10.9295 -10.9291 -7.9779 -7.9765 -7.9679 -7.9677 -7.9558 -7.9546 2.1343 2.1392 7.7573 7.9035 9.1393 9.3471 10.0261 10.0445 11.6049 11.6088 11.7048 11.7173 11.7739 11.7874 12.2633 12.3550 12.4739 12.4856 14.4768 14.6271 15.2119 15.2129 15.2761 15.2850 16.2533 16.2777 k = 0.5781 0.0631 0.3317 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9319 -10.9316 -10.9297 -10.9291 -7.9779 -7.9764 -7.9683 -7.9682 -7.9557 -7.9544 2.1373 2.1422 7.7991 7.9573 9.1102 9.3305 10.0399 10.0579 11.6026 11.6054 11.7143 11.7258 11.7903 11.8050 12.2278 12.3218 12.4473 12.4582 14.4398 14.5907 15.2217 15.2268 15.2836 15.2958 16.2112 16.2358 k = 0.5820 0.0519 0.3381 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1801 -10.9320 -10.9316 -10.9298 -10.9292 -7.9780 -7.9764 -7.9688 -7.9686 -7.9555 -7.9541 2.1402 2.1452 7.8409 8.0122 9.0807 9.3141 10.0552 10.0724 11.5988 11.6008 11.7241 11.7349 11.8077 11.8234 12.1927 12.2886 12.4206 12.4306 14.4031 14.5541 15.2328 15.2419 15.2920 15.3081 16.1659 16.1916 k = 0.5859 0.0406 0.3445 ( 4845 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1801 -10.9321 -10.9316 -10.9300 -10.9293 -7.9781 -7.9764 -7.9693 -7.9691 -7.9553 -7.9539 2.1429 2.1480 7.8826 8.0677 9.0514 9.2983 10.0719 10.0882 11.5937 11.5951 11.7337 11.7438 11.8254 11.8423 12.1584 12.2558 12.3945 12.4033 14.3668 14.5174 15.2451 15.2580 15.3011 15.3221 16.1194 16.1474 k = 0.5898 0.0293 0.3508 ( 4845 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1801 -10.9321 -10.9316 -10.9301 -10.9293 -7.9782 -7.9764 -7.9698 -7.9695 -7.9551 -7.9537 2.1454 2.1505 7.9234 8.1232 9.0226 9.2836 10.0899 10.1051 11.5875 11.5888 11.7432 11.7530 11.8434 11.8612 12.1250 12.2234 12.3688 12.3764 14.3314 14.4810 15.2586 15.2746 15.3108 15.3377 16.0735 16.1047 k = 0.5938 0.0180 0.3572 ( 4839 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1807 -42.1804 -42.1802 -42.1801 -10.9322 -10.9316 -10.9303 -10.9294 -7.9783 -7.9763 -7.9703 -7.9700 -7.9549 -7.9534 2.1476 2.1527 7.9630 8.1782 8.9952 9.2706 10.1090 10.1229 11.5805 11.5820 11.7528 11.7627 11.8617 11.8802 12.0933 12.1917 12.3438 12.3499 14.2969 14.4453 15.2731 15.2917 15.3210 15.3548 16.0295 16.0650 k = 0.5977 0.0068 0.3636 ( 4837 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1807 -42.1804 -42.1802 -42.1801 -10.9323 -10.9316 -10.9304 -10.9294 -7.9783 -7.9763 -7.9708 -7.9704 -7.9546 -7.9532 2.1495 2.1546 8.0008 8.2316 8.9699 9.2598 10.1291 10.1417 11.5727 11.5745 11.7616 11.7721 11.8794 11.8981 12.0635 12.1607 12.3198 12.3242 14.2635 14.4103 15.2883 15.3088 15.3314 15.3732 15.9887 16.0291 k = 0.6016-0.0045 0.3700 ( 4843 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9324 -10.9316 -10.9305 -10.9294 -7.9784 -7.9763 -7.9713 -7.9709 -7.9544 -7.9530 2.1510 2.1561 8.0361 8.2823 8.9480 9.2519 10.1501 10.1611 11.5641 11.5665 11.7696 11.7811 11.8961 11.9136 12.0364 12.1299 12.2969 12.2993 14.2311 14.3761 15.3037 15.3258 15.3419 15.3922 15.9518 15.9979 k = 0.6055-0.0158 0.3764 ( 4845 PWs) bands (ev): -78.2104 -78.2103 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9325 -10.9316 -10.9307 -10.9295 -7.9785 -7.9764 -7.9717 -7.9713 -7.9542 -7.9527 2.1521 2.1571 8.0684 8.3286 8.9312 9.2475 10.1720 10.1814 11.5554 11.5586 11.7768 11.7900 11.9116 11.9241 12.0152 12.1003 12.2758 12.2760 14.2002 14.3432 15.3192 15.3427 15.3525 15.4116 15.9198 15.9718 k = 0.6094-0.0271 0.3827 ( 4843 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9326 -10.9316 -10.9308 -10.9295 -7.9786 -7.9764 -7.9722 -7.9718 -7.9540 -7.9525 2.1526 2.1576 8.0971 8.3685 8.9214 9.2471 10.1946 10.2024 11.5468 11.5507 11.7828 11.7987 11.9251 11.9252 12.0046 12.0721 12.2547 12.2570 14.1711 14.3119 15.3340 15.3593 15.3633 15.4303 15.8934 15.9511 k = 0.6133-0.0383 0.3891 ( 4841 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9327 -10.9316 -10.9309 -10.9295 -7.9786 -7.9764 -7.9726 -7.9722 -7.9538 -7.9523 2.1525 2.1575 8.1218 8.3997 8.9208 9.2512 10.2179 10.2240 11.5385 11.5432 11.7871 11.8073 11.9152 11.9358 12.0050 12.0451 12.2361 12.2411 14.1435 14.2821 15.3474 15.3741 15.3752 15.4476 15.8732 15.9357 k = 0.6172-0.0496 0.3955 ( 4851 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9328 -10.9317 -10.9309 -10.9295 -7.9787 -7.9765 -7.9730 -7.9726 -7.9536 -7.9521 2.1519 2.1568 8.1421 8.4204 8.9312 9.2600 10.2416 10.2460 11.5304 11.5358 11.7882 11.8146 11.8996 11.9418 12.0104 12.0199 12.2209 12.2284 14.1174 14.2538 15.3587 15.3848 15.3899 15.4625 15.8589 15.9239 k = 0.6211-0.0609 0.4019 ( 4847 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1801 -10.9329 -10.9318 -10.9309 -10.9295 -7.9788 -7.9766 -7.9733 -7.9730 -7.9534 -7.9520 2.1505 2.1553 8.1578 8.4300 8.9534 9.2738 10.2660 10.2686 11.5234 11.5294 11.7856 11.8218 11.8855 11.9417 11.9990 12.0156 12.2108 12.2202 14.0934 14.2276 15.3675 15.3951 15.4029 15.4746 15.8480 15.9091 k = 0.6250-0.0722 0.4082 ( 4854 PWs) bands (ev): -78.2106 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9330 -10.9320 -10.9309 -10.9295 -7.9788 -7.9768 -7.9736 -7.9733 -7.9533 -7.9518 2.1483 2.1530 8.1689 8.4292 8.9864 9.2926 10.2906 10.2914 11.5172 11.5238 11.7774 11.8275 11.8749 11.9334 11.9829 12.0173 12.2059 12.2161 14.0709 14.2029 15.3733 15.4037 15.4124 15.4836 15.8276 15.8752 k = 0.6250-0.0722 0.4082 ( 4854 PWs) bands (ev): -78.2106 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9330 -10.9320 -10.9309 -10.9295 -7.9788 -7.9768 -7.9736 -7.9733 -7.9533 -7.9518 2.1483 2.1530 8.1689 8.4292 8.9864 9.2926 10.2906 10.2914 11.5172 11.5238 11.7774 11.8275 11.8749 11.9334 11.9829 12.0173 12.2059 12.2161 14.0709 14.2029 15.3733 15.4037 15.4124 15.4836 15.8276 15.8752 k = 0.6181-0.0682 0.4196 ( 4846 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9330 -10.9320 -10.9309 -10.9295 -7.9788 -7.9768 -7.9736 -7.9733 -7.9533 -7.9518 2.1484 2.1532 8.1697 8.4297 8.9873 9.2931 10.2850 10.2913 11.5163 11.5250 11.7767 11.8269 11.8750 11.9317 11.9803 12.0172 12.2107 12.2215 14.0731 14.2054 15.3690 15.3889 15.4246 15.4848 15.8209 15.8668 k = 0.6111-0.0642 0.4309 ( 4855 PWs) bands (ev): -78.2106 -78.2106 -43.9118 -43.9115 -42.1808 -42.1804 -42.1803 -42.1802 -10.9330 -10.9319 -10.9309 -10.9295 -7.9789 -7.9768 -7.9735 -7.9732 -7.9533 -7.9518 2.1489 2.1537 8.1720 8.4312 8.9898 9.2946 10.2731 10.2852 11.5138 11.5270 11.7743 11.8243 11.8743 11.9251 11.9729 12.0150 12.2192 12.2394 14.0795 14.2125 15.3549 15.3689 15.4364 15.4876 15.8019 15.8408 k = 0.6042-0.0601 0.4423 ( 4851 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9330 -10.9319 -10.9309 -10.9295 -7.9789 -7.9768 -7.9734 -7.9731 -7.9533 -7.9518 2.1498 2.1545 8.1757 8.4337 8.9941 9.2972 10.2558 10.2734 11.5114 11.5297 11.7710 11.8204 11.8738 11.9157 11.9654 12.0123 12.2305 12.2682 14.0904 14.2244 15.3319 15.3493 15.4445 15.4903 15.7736 15.8025 k = 0.5972-0.0561 0.4536 ( 4851 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9330 -10.9319 -10.9310 -10.9295 -7.9790 -7.9769 -7.9733 -7.9730 -7.9534 -7.9519 2.1509 2.1557 8.1809 8.4372 8.9999 9.3007 10.2336 10.2558 11.5090 11.5323 11.7666 11.8142 11.8731 11.9049 11.9583 12.0084 12.2444 12.3025 14.1058 14.2409 15.3033 15.3281 15.4484 15.4906 15.7375 15.7590 k = 0.5903-0.0521 0.4649 ( 4843 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9329 -10.9318 -10.9310 -10.9295 -7.9791 -7.9769 -7.9732 -7.9728 -7.9535 -7.9519 2.1523 2.1571 8.1874 8.4416 9.0073 9.3051 10.2070 10.2330 11.5070 11.5351 11.7622 11.8064 11.8724 11.8952 11.9521 12.0039 12.2608 12.3397 14.1259 14.2620 15.2711 15.3046 15.4475 15.4865 15.6948 15.7177 k = 0.5833-0.0481 0.4763 ( 4839 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9329 -10.9318 -10.9310 -10.9296 -7.9792 -7.9770 -7.9730 -7.9726 -7.9535 -7.9520 2.1540 2.1588 8.1951 8.4470 9.0158 9.3102 10.1768 10.2054 11.5056 11.5379 11.7573 11.7973 11.8716 11.8873 11.9457 11.9985 12.2782 12.3772 14.1503 14.2870 15.2359 15.2791 15.4409 15.4759 15.6492 15.6826 k = 0.5764-0.0441 0.4876 ( 4843 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9329 -10.9317 -10.9310 -10.9296 -7.9793 -7.9770 -7.9728 -7.9724 -7.9536 -7.9520 2.1559 2.1607 8.2040 8.4532 9.0254 9.3160 10.1434 10.1738 11.5045 11.5404 11.7524 11.7878 11.8705 11.8812 11.9388 11.9918 12.2962 12.4139 14.1792 14.3157 15.1981 15.2519 15.4272 15.4574 15.6070 15.6543 k = 0.5694-0.0401 0.4990 ( 4851 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9328 -10.9317 -10.9311 -10.9296 -7.9794 -7.9771 -7.9726 -7.9721 -7.9537 -7.9521 2.1580 2.1628 8.2137 8.4601 9.0356 9.3221 10.1079 10.1392 11.5041 11.5427 11.7474 11.7787 11.8688 11.8766 11.9316 11.9846 12.3140 12.4488 14.2123 14.3476 15.1581 15.2240 15.4060 15.4309 15.5722 15.6330 k = 0.5625-0.0361 0.5103 ( 4848 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1802 -10.9327 -10.9316 -10.9311 -10.9297 -7.9795 -7.9771 -7.9724 -7.9719 -7.9538 -7.9521 2.1602 2.1650 8.2242 8.4678 9.0463 9.3286 10.0713 10.1026 11.5051 11.5454 11.7430 11.7714 11.8672 11.8739 11.9247 11.9775 12.3313 12.4814 14.2499 14.3824 15.1162 15.1959 15.3785 15.3984 15.5457 15.6176 k = 0.5556-0.0321 0.5217 ( 4841 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9327 -10.9315 -10.9312 -10.9297 -7.9796 -7.9772 -7.9722 -7.9717 -7.9539 -7.9522 2.1625 2.1674 8.2351 8.4761 9.0570 9.3351 10.0346 10.0652 11.5066 11.5476 11.7390 11.7665 11.8652 11.8721 11.9181 11.9707 12.3477 12.5112 14.2913 14.4192 15.0727 15.1685 15.3473 15.3631 15.5258 15.6057 k = 0.5486-0.0281 0.5330 ( 4839 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9326 -10.9314 -10.9312 -10.9298 -7.9797 -7.9772 -7.9720 -7.9715 -7.9540 -7.9522 2.1648 2.1697 8.2462 8.4848 9.0672 9.3413 9.9987 10.0280 11.5087 11.5495 11.7352 11.7633 11.8628 11.8710 11.9111 11.9637 12.3623 12.5375 14.3360 14.4571 15.0278 15.1422 15.3153 15.3285 15.5097 15.5958 k = 0.5417-0.0241 0.5443 ( 4832 PWs) bands (ev): -78.2100 -78.2100 -43.9117 -43.9113 -42.1808 -42.1802 -42.1801 -42.1801 -10.9325 -10.9314 -10.9312 -10.9299 -7.9798 -7.9773 -7.9719 -7.9713 -7.9541 -7.9523 2.1670 2.1719 8.2572 8.4938 9.0763 9.3469 9.9648 9.9925 11.5115 11.5511 11.7321 11.7621 11.8605 11.8704 11.9043 11.9573 12.3754 12.5603 14.3838 14.4951 14.9818 15.1178 15.2840 15.2974 15.4958 15.5868 k = 0.5347-0.0200 0.5557 ( 4838 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9325 -10.9314 -10.9312 -10.9299 -7.9798 -7.9773 -7.9717 -7.9711 -7.9542 -7.9523 2.1692 2.1741 8.2675 8.5028 9.0839 9.3516 9.9340 9.9599 11.5138 11.5518 11.7292 11.7617 11.8581 11.8695 11.8971 11.9512 12.3862 12.5792 14.4334 14.5316 14.9349 15.0956 15.2547 15.2716 15.4828 15.5782 k = 0.5278-0.0160 0.5670 ( 4845 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1802 -10.9324 -10.9314 -10.9311 -10.9300 -7.9799 -7.9773 -7.9716 -7.9710 -7.9543 -7.9523 2.1711 2.1760 8.2769 8.5114 9.0895 9.3552 9.9075 9.9313 11.5160 11.5521 11.7272 11.7623 11.8563 11.8686 11.8900 11.9457 12.3950 12.5943 14.4843 14.5650 14.8875 15.0764 15.2291 15.2516 15.4708 15.5699 k = 0.5208-0.0120 0.5784 ( 4847 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1802 -10.9323 -10.9315 -10.9311 -10.9300 -7.9799 -7.9773 -7.9715 -7.9709 -7.9544 -7.9524 2.1727 2.1777 8.2850 8.5193 9.0930 9.3575 9.8864 9.9079 11.5180 11.5523 11.7261 11.7633 11.8558 11.8677 11.8835 11.9416 12.4018 12.6060 14.5354 14.5937 14.8402 15.0606 15.2091 15.2374 15.4598 15.5622 k = 0.5139-0.0080 0.5897 ( 4843 PWs) bands (ev): -78.2102 -78.2102 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9323 -10.9315 -10.9310 -10.9301 -7.9800 -7.9773 -7.9714 -7.9708 -7.9544 -7.9524 2.1740 2.1790 8.2912 8.5259 9.0946 9.3587 9.8713 9.8905 11.5198 11.5526 11.7259 11.7644 11.8572 11.8669 11.8779 11.9388 12.4067 12.6141 14.5854 14.6156 14.7937 15.0488 15.1953 15.2288 15.4504 15.5558 k = 0.5069-0.0040 0.6010 ( 4855 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1809 -42.1803 -42.1803 -42.1802 -10.9322 -10.9315 -10.9309 -10.9301 -7.9800 -7.9773 -7.9714 -7.9707 -7.9544 -7.9524 2.1748 2.1798 8.2951 8.5304 9.0946 9.3589 9.8625 9.8797 11.5202 11.5521 11.7257 11.7650 11.8594 11.8649 11.8729 11.9365 12.4090 12.6183 14.6279 14.6315 14.7504 15.0413 15.1878 15.2246 15.4436 15.5511 k = 0.5000-0.0000 0.6124 ( 4888 PWs) bands (ev): -78.2113 -78.2113 -43.9121 -43.9117 -42.1810 -42.1805 -42.1804 -42.1804 -10.9322 -10.9315 -10.9309 -10.9302 -7.9800 -7.9773 -7.9714 -7.9707 -7.9545 -7.9524 2.1751 2.1801 8.2964 8.5320 9.0942 9.3586 9.8597 9.8760 11.5194 11.5511 11.7242 11.7636 11.8606 11.8627 11.8691 11.9345 12.4091 12.6190 14.6326 14.6556 14.7254 15.0383 15.1855 15.2234 15.4408 15.5492 k = 0.5000-0.0000 0.6124 ( 4888 PWs) bands (ev): -78.2113 -78.2113 -43.9121 -43.9117 -42.1810 -42.1805 -42.1804 -42.1804 -10.9322 -10.9315 -10.9309 -10.9302 -7.9800 -7.9773 -7.9714 -7.9707 -7.9545 -7.9524 2.1751 2.1801 8.2964 8.5320 9.0942 9.3586 9.8597 9.8760 11.5194 11.5511 11.7242 11.7636 11.8606 11.8627 11.8691 11.9345 12.4091 12.6190 14.6326 14.6556 14.7254 15.0383 15.1855 15.2234 15.4408 15.5492 k = 0.5000 0.0080 0.6010 ( 4852 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1802 -10.9322 -10.9315 -10.9309 -10.9302 -7.9800 -7.9773 -7.9714 -7.9707 -7.9545 -7.9524 2.1750 2.1800 8.2942 8.5307 9.0913 9.3572 9.8612 9.8800 11.5204 11.5526 11.7257 11.7653 11.8589 11.8678 11.8714 11.9365 12.4098 12.6192 14.6337 14.6560 14.7251 15.0355 15.1916 15.2283 15.4443 15.5519 k = 0.5000 0.0160 0.5897 ( 4848 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1802 -10.9322 -10.9315 -10.9309 -10.9301 -7.9799 -7.9773 -7.9713 -7.9706 -7.9545 -7.9525 2.1745 2.1795 8.2872 8.5262 9.0826 9.3523 9.8661 9.8907 11.5194 11.5530 11.7276 11.7680 11.8560 11.8732 11.8743 11.9387 12.4077 12.6154 14.6348 14.6552 14.7237 15.0272 15.2078 15.2413 15.4543 15.5592 k = 0.5000 0.0241 0.5784 ( 4848 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1802 -10.9322 -10.9315 -10.9309 -10.9301 -7.9799 -7.9772 -7.9713 -7.9706 -7.9545 -7.9525 2.1737 2.1787 8.2757 8.5181 9.0698 9.3449 9.8743 9.9064 11.5184 11.5535 11.7300 11.7717 11.8544 11.8772 11.8803 11.9421 12.4043 12.6091 14.6365 14.6542 14.7214 15.0155 15.2322 15.2615 15.4714 15.5710 k = 0.5000 0.0321 0.5670 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9322 -10.9316 -10.9308 -10.9301 -7.9798 -7.9772 -7.9712 -7.9705 -7.9546 -7.9526 2.1725 2.1776 8.2597 8.5056 9.0551 9.3360 9.8853 9.9254 11.5177 11.5543 11.7322 11.7753 11.8546 11.8815 11.8889 11.9481 12.4002 12.6010 14.6391 14.6539 14.7186 15.0020 15.2625 15.2870 15.4960 15.5869 k = 0.5000 0.0401 0.5557 ( 4840 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9322 -10.9316 -10.9308 -10.9301 -7.9797 -7.9771 -7.9712 -7.9704 -7.9546 -7.9527 2.1711 2.1762 8.2395 8.4878 9.0407 9.3267 9.8978 9.9460 11.5182 11.5557 11.7337 11.7777 11.8571 11.8852 11.8999 11.9562 12.3957 12.5913 14.6422 14.6550 14.7158 14.9876 15.2965 15.3155 15.5289 15.6069 k = 0.5000 0.0481 0.5443 ( 4836 PWs) bands (ev): -78.2101 -78.2101 -43.9117 -43.9113 -42.1808 -42.1803 -42.1801 -42.1801 -10.9322 -10.9316 -10.9307 -10.9300 -7.9796 -7.9770 -7.9711 -7.9702 -7.9547 -7.9528 2.1694 2.1745 8.2151 8.4641 9.0288 9.3180 9.9108 9.9668 11.5199 11.5575 11.7345 11.7787 11.8606 11.8886 11.9133 11.9675 12.3912 12.5804 14.6455 14.6582 14.7138 14.9731 15.3316 15.3444 15.5706 15.6316 k = 0.5000 0.0561 0.5330 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9322 -10.9316 -10.9306 -10.9300 -7.9795 -7.9769 -7.9709 -7.9700 -7.9548 -7.9529 2.1674 2.1725 8.1870 8.4339 9.0207 9.3107 9.9233 9.9865 11.5231 11.5598 11.7336 11.7773 11.8641 11.8904 11.9287 11.9816 12.3873 12.5690 14.6483 14.6635 14.7132 14.9587 15.3646 15.3716 15.6210 15.6626 k = 0.5000 0.0642 0.5217 ( 4840 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9321 -10.9316 -10.9305 -10.9299 -7.9794 -7.9769 -7.9708 -7.9699 -7.9549 -7.9530 2.1651 2.1703 8.1553 8.3976 9.0174 9.3054 9.9350 10.0043 11.5281 11.5631 11.7318 11.7743 11.8667 11.8913 11.9478 12.0004 12.3852 12.5583 14.6510 14.6713 14.7152 14.9450 15.3923 15.3961 15.6790 15.7025 k = 0.5000 0.0722 0.5103 ( 4838 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9321 -10.9316 -10.9304 -10.9298 -7.9792 -7.9768 -7.9706 -7.9696 -7.9550 -7.9532 2.1626 2.1678 8.1205 8.3557 9.0191 9.3025 9.9450 10.0195 11.5345 11.5670 11.7291 11.7701 11.8666 11.8906 11.9701 12.0229 12.3849 12.5486 14.6530 14.6812 14.7205 14.9323 15.4132 15.4163 15.7402 15.7556 k = 0.5000 0.0802 0.4990 ( 4840 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9321 -10.9316 -10.9303 -10.9298 -7.9791 -7.9767 -7.9703 -7.9694 -7.9551 -7.9533 2.1599 2.1651 8.0830 8.3091 9.0255 9.3021 9.9533 10.0318 11.5417 11.5712 11.7252 11.7647 11.8633 11.8881 11.9958 12.0490 12.3867 12.5403 14.6543 14.6930 14.7295 14.9207 15.4274 15.4310 15.8011 15.8235 k = 0.5000 0.0882 0.4876 ( 4840 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9321 -10.9316 -10.9302 -10.9297 -7.9789 -7.9766 -7.9701 -7.9692 -7.9552 -7.9535 2.1570 2.1622 8.0432 8.2587 9.0360 9.3043 9.9596 10.0408 11.5499 11.5760 11.7210 11.7591 11.8571 11.8837 12.0242 12.0776 12.3911 12.5343 14.6549 14.7071 14.7417 14.9107 15.4343 15.4418 15.8663 15.8973 k = 0.5000 0.0962 0.4763 ( 4838 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1803 -42.1802 -42.1801 -10.9320 -10.9316 -10.9301 -10.9296 -7.9788 -7.9766 -7.9698 -7.9689 -7.9554 -7.9537 2.1540 2.1591 8.0015 8.2057 9.0501 9.3091 9.9641 10.0468 11.5584 11.5810 11.7160 11.7527 11.8481 11.8772 12.0556 12.1090 12.3983 12.5314 14.6557 14.7235 14.7564 14.9027 15.4353 15.4486 15.9354 15.9710 k = 0.5000 0.1042 0.4649 ( 4838 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1807 -42.1803 -42.1802 -42.1801 -10.9320 -10.9316 -10.9300 -10.9295 -7.9786 -7.9765 -7.9695 -7.9686 -7.9555 -7.9539 2.1508 2.1559 7.9585 8.1509 9.0670 9.3160 9.9669 10.0499 11.5668 11.5859 11.7107 11.7460 11.8366 11.8683 12.0894 12.1425 12.4081 12.5314 14.6569 14.7420 14.7727 14.8971 15.4318 15.4515 16.0057 16.0397 k = 0.5000 0.1123 0.4536 ( 4842 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1803 -42.1802 -42.1802 -10.9320 -10.9316 -10.9299 -10.9295 -7.9785 -7.9765 -7.9691 -7.9683 -7.9556 -7.9541 2.1475 2.1525 7.9145 8.0951 9.0863 9.3248 9.9681 10.0504 11.5745 11.5904 11.7051 11.7390 11.8231 11.8574 12.1248 12.1777 12.4199 12.5346 14.6589 14.7624 14.7895 14.8945 15.4250 15.4509 16.0736 16.1013 k = 0.5000 0.1203 0.4423 ( 4846 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9319 -10.9316 -10.9298 -10.9294 -7.9783 -7.9765 -7.9687 -7.9680 -7.9557 -7.9543 2.1441 2.1491 7.8701 8.0390 9.1072 9.3352 9.9681 10.0486 11.5814 11.5946 11.6993 11.7320 11.8080 11.8446 12.1617 12.2147 12.4337 12.5410 14.6623 14.7847 14.8054 14.8962 15.4158 15.4473 16.1358 16.1576 k = 0.5000 0.1283 0.4309 ( 4848 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9319 -10.9316 -10.9296 -10.9293 -7.9782 -7.9765 -7.9683 -7.9677 -7.9559 -7.9545 2.1406 2.1456 7.8256 7.9831 9.1295 9.3468 9.9673 10.0450 11.5867 11.5985 11.6936 11.7253 11.7916 11.8303 12.1998 12.2537 12.4492 12.5506 14.6671 14.8087 14.8191 14.9033 15.4047 15.4411 16.1901 16.2102 k = 0.5000 0.1363 0.4196 ( 4842 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1807 -42.1804 -42.1802 -42.1802 -10.9319 -10.9316 -10.9295 -10.9292 -7.9781 -7.9765 -7.9679 -7.9673 -7.9560 -7.9547 2.1371 2.1420 7.7814 7.9280 9.1526 9.3592 9.9660 10.0401 11.5907 11.6025 11.6881 11.7189 11.7752 11.8152 12.2383 12.2940 12.4665 12.5634 14.6738 14.8298 14.8343 14.9167 15.3923 15.4328 16.2366 16.2581 k = 0.5000 0.1443 0.4082 ( 4840 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1807 -42.1804 -42.1802 -42.1802 -10.9318 -10.9316 -10.9294 -10.9291 -7.9780 -7.9765 -7.9675 -7.9670 -7.9561 -7.9549 2.1337 2.1384 7.7380 7.8740 9.1760 9.3719 9.9643 10.0341 11.5925 11.6058 11.6825 11.7130 11.7584 11.7994 12.2768 12.3355 12.4845 12.5784 14.6823 14.8382 14.8607 14.9350 15.3789 15.4228 16.2751 16.2984 k = 0.5000 0.1524 0.3969 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9318 -10.9316 -10.9293 -10.9290 -7.9779 -7.9765 -7.9671 -7.9666 -7.9563 -7.9551 2.1302 2.1348 7.6955 7.8214 9.1995 9.3846 9.9627 10.0275 11.5924 11.6083 11.6765 11.7076 11.7415 11.7832 12.3147 12.3774 12.5030 12.5950 14.6927 14.8456 14.8878 14.9568 15.3650 15.4115 16.3044 16.3289 k = 0.5000 0.1604 0.3856 ( 4842 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9318 -10.9316 -10.9291 -10.9289 -7.9778 -7.9766 -7.9667 -7.9662 -7.9564 -7.9553 2.1268 2.1313 7.6543 7.7706 9.2227 9.3968 9.9615 10.0209 11.5909 11.6096 11.6702 11.7029 11.7255 11.7674 12.3525 12.4200 12.5225 12.6134 14.7054 14.8533 14.9155 14.9807 15.3508 15.3992 16.3224 16.3474 k = 0.5000 0.1684 0.3742 ( 4842 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9317 -10.9316 -10.9290 -10.9288 -7.9777 -7.9766 -7.9662 -7.9659 -7.9565 -7.9555 2.1235 2.1278 7.6147 7.7217 9.2453 9.4083 9.9608 10.0144 11.5881 11.6095 11.6633 11.6986 11.7110 11.7526 12.3894 12.4624 12.5421 12.6325 14.7202 14.8621 14.9433 15.0055 15.3367 15.3863 16.3273 16.3518 k = 0.5000 0.1764 0.3629 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9317 -10.9316 -10.9289 -10.9287 -7.9776 -7.9767 -7.9658 -7.9655 -7.9566 -7.9556 2.1203 2.1244 7.5768 7.6750 9.2670 9.4186 9.9609 10.0083 11.5844 11.6078 11.6557 11.6913 11.7013 11.7392 12.4255 12.5038 12.5617 12.6518 14.7374 14.8724 14.9709 15.0306 15.3230 15.3731 16.3178 16.3410 k = 0.5000 0.1844 0.3515 ( 4842 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9317 -10.9316 -10.9288 -10.9287 -7.9776 -7.9767 -7.9654 -7.9652 -7.9567 -7.9558 2.1172 2.1211 7.5410 7.6307 9.2875 9.4277 9.9618 10.0029 11.5801 11.6043 11.6481 11.6798 11.6979 11.7279 12.4606 12.5443 12.5814 12.6714 14.7571 14.8847 14.9979 15.0552 15.3100 15.3599 16.2941 16.3152 k = 0.5000 0.1925 0.3402 ( 4828 PWs) bands (ev): -78.2100 -78.2100 -43.9116 -43.9114 -42.1806 -42.1804 -42.1801 -42.1801 -10.9317 -10.9316 -10.9287 -10.9286 -7.9775 -7.9768 -7.9650 -7.9648 -7.9567 -7.9560 2.1142 2.1180 7.5074 7.5890 9.3069 9.4355 9.9638 9.9985 11.5756 11.5995 11.6405 11.6678 11.6970 11.7192 12.4954 12.5837 12.6016 12.6911 14.7794 14.8991 15.0241 15.0791 15.2983 15.3472 16.2573 16.2756 k = 0.5000 0.2005 0.3289 ( 4836 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9115 -42.1806 -42.1804 -42.1802 -42.1801 -10.9316 -10.9316 -10.9286 -10.9285 -7.9775 -7.9768 -7.9646 -7.9645 -7.9568 -7.9561 2.1115 2.1149 7.4761 7.5499 9.3247 9.4416 9.9663 9.9949 11.5701 11.5923 11.6324 11.6556 11.6960 11.7120 12.5280 12.6177 12.6232 12.7095 14.8039 14.9155 15.0485 15.1011 15.2879 15.3350 16.2091 16.2242 k = 0.5000 0.2085 0.3175 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1807 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9285 -10.9284 -7.9774 -7.9769 -7.9643 -7.9642 -7.9569 -7.9562 2.1089 2.1121 7.4473 7.5136 9.3410 9.4462 9.9695 9.9923 11.5647 11.5843 11.6251 11.6440 11.6956 11.7071 12.5592 12.6377 12.6561 12.7270 14.8309 14.9341 15.0711 15.1208 15.2797 15.3239 16.1524 16.1643 k = 0.5000 0.2165 0.3062 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1806 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9284 -10.9283 -7.9774 -7.9769 -7.9640 -7.9639 -7.9569 -7.9564 2.1065 2.1095 7.4212 7.4802 9.3557 9.4494 9.9733 9.9908 11.5595 11.5759 11.6186 11.6333 11.6954 11.7037 12.5889 12.6554 12.6882 12.7437 14.8604 14.9551 15.0913 15.1375 15.2744 15.3144 16.0894 16.0984 k = 0.5000 0.2245 0.2948 ( 4838 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9115 -42.1806 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9283 -10.9283 -7.9774 -7.9770 -7.9637 -7.9636 -7.9570 -7.9565 2.1044 2.1070 7.3979 7.4498 9.3690 9.4513 9.9773 9.9902 11.5545 11.5678 11.6125 11.6236 11.6953 11.7015 12.6167 12.6721 12.7177 12.7594 14.8921 14.9783 15.1086 15.1507 15.2723 15.3068 16.0225 16.0291 k = 0.5000 0.2325 0.2835 ( 4844 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9116 -42.1807 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9283 -10.9282 -7.9774 -7.9770 -7.9634 -7.9634 -7.9570 -7.9566 2.1025 2.1048 7.3774 7.4224 9.3807 9.4519 9.9814 9.9904 11.5495 11.5599 11.6067 11.6146 11.6951 11.6998 12.6417 12.6870 12.7438 12.7735 14.9257 15.0032 15.1226 15.1597 15.2737 15.3016 15.9537 15.9585 k = 0.5000 0.2406 0.2722 ( 4838 PWs) bands (ev): -78.2103 -78.2102 -43.9117 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9316 -10.9315 -10.9282 -10.9282 -7.9774 -7.9771 -7.9632 -7.9632 -7.9570 -7.9567 2.1008 2.1028 7.3599 7.3982 9.3912 9.4515 9.9854 9.9913 11.5453 11.5532 11.6019 11.6071 11.6953 11.6989 12.6645 12.7008 12.7672 12.7868 14.9609 15.0296 15.1338 15.1655 15.2782 15.2990 15.8852 15.8886 k = 0.5000 0.2486 0.2608 ( 4846 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9315 -10.9315 -10.9282 -10.9281 -7.9773 -7.9771 -7.9630 -7.9630 -7.9570 -7.9567 2.0994 2.1011 7.3454 7.3771 9.4003 9.4500 9.9889 9.9924 11.5412 11.5472 11.5974 11.6005 11.6952 11.6980 12.6834 12.7120 12.7863 12.7982 14.9965 15.0560 15.1426 15.1686 15.2845 15.2987 15.8187 15.8214 k = 0.5000 0.2566 0.2495 ( 4848 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9315 -10.9315 -10.9281 -10.9281 -7.9773 -7.9771 -7.9628 -7.9628 -7.9570 -7.9568 2.0983 2.0997 7.3340 7.3592 9.4085 9.4478 9.9920 9.9938 11.5378 11.5422 11.5936 11.5952 11.6953 11.6974 12.6996 12.7214 12.8021 12.8085 15.0313 15.0807 15.1508 15.1707 15.2916 15.3003 15.7565 15.7589 k = 0.5000 0.2646 0.2381 ( 4846 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9116 -42.1806 -42.1806 -42.1802 -42.1802 -10.9315 -10.9315 -10.9281 -10.9281 -7.9773 -7.9772 -7.9627 -7.9627 -7.9570 -7.9569 2.0975 2.0985 7.3258 7.3446 9.4157 9.4450 9.9945 9.9953 11.5354 11.5385 11.5907 11.5914 11.6953 11.6970 12.7129 12.7286 12.8144 12.8172 15.0630 15.1003 15.1605 15.1733 15.2985 15.3031 15.7014 15.7036 k = 0.5000 0.2726 0.2268 ( 4838 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9315 -10.9315 -10.9281 -10.9280 -7.9773 -7.9772 -7.9626 -7.9626 -7.9570 -7.9569 2.0969 2.0976 7.3208 7.3333 9.4221 9.4415 9.9964 9.9967 11.5338 11.5359 11.5887 11.5889 11.6958 11.6969 12.7232 12.7335 12.8233 12.8241 15.0886 15.1121 15.1723 15.1775 15.3044 15.3063 15.6568 15.6588 k = 0.5000 0.2807 0.2155 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9117 -42.1806 -42.1806 -42.1803 -42.1803 -10.9315 -10.9315 -10.9280 -10.9280 -7.9773 -7.9772 -7.9626 -7.9626 -7.9570 -7.9570 2.0966 2.0970 7.3190 7.3252 9.4278 9.4374 9.9973 9.9974 11.5325 11.5336 11.5869 11.5869 11.6957 11.6963 12.7297 12.7347 12.8278 12.8280 15.1053 15.1160 15.1819 15.1827 15.3083 15.3089 15.6273 15.6285 k = 0.5000 0.2887 0.2041 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9117 -42.1806 -42.1806 -42.1803 -42.1803 -10.9315 -10.9315 -10.9280 -10.9280 -7.9773 -7.9773 -7.9626 -7.9626 -7.9570 -7.9570 2.0967 2.0967 7.3205 7.3205 9.4329 9.4329 9.9977 9.9977 11.5326 11.5326 11.5864 11.5864 11.6960 11.6960 12.7336 12.7336 12.8295 12.8295 15.1139 15.1139 15.1856 15.1856 15.3099 15.3099 15.6173 15.6173 k = 0.5000 0.2887 0.2041 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9117 -42.1806 -42.1806 -42.1803 -42.1803 -10.9315 -10.9315 -10.9280 -10.9280 -7.9773 -7.9773 -7.9626 -7.9626 -7.9570 -7.9570 2.0967 2.0967 7.3205 7.3205 9.4329 9.4329 9.9977 9.9977 11.5326 11.5326 11.5864 11.5864 11.6960 11.6960 12.7336 12.7336 12.8295 12.8295 15.1139 15.1139 15.1856 15.1856 15.3099 15.3099 15.6173 15.6173 k = 0.4961 0.2864 0.2169 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9117 -42.1806 -42.1806 -42.1803 -42.1803 -10.9315 -10.9315 -10.9280 -10.9280 -7.9773 -7.9772 -7.9626 -7.9626 -7.9570 -7.9570 2.0966 2.0970 7.3190 7.3251 9.4279 9.4373 9.9973 9.9974 11.5325 11.5335 11.5868 11.5868 11.6957 11.6962 12.7298 12.7347 12.8280 12.8280 15.1056 15.1160 15.1822 15.1827 15.3084 15.3089 15.6268 15.6280 k = 0.4922 0.2842 0.2296 ( 4839 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9315 -10.9315 -10.9281 -10.9280 -7.9773 -7.9772 -7.9626 -7.9626 -7.9570 -7.9569 2.0969 2.0976 7.3206 7.3328 9.4224 9.4413 9.9965 9.9966 11.5338 11.5358 11.5887 11.5887 11.6957 11.6968 12.7236 12.7336 12.8239 12.8241 15.0896 15.1124 15.1738 15.1770 15.3049 15.3061 15.6549 15.6568 k = 0.4883 0.2819 0.2424 ( 4838 PWs) bands (ev): -78.2103 -78.2103 -43.9116 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9315 -10.9315 -10.9281 -10.9281 -7.9773 -7.9772 -7.9627 -7.9627 -7.9570 -7.9569 2.0974 2.0984 7.3253 7.3437 9.4163 9.4448 9.9950 9.9953 11.5355 11.5385 11.5911 11.5912 11.6956 11.6972 12.7140 12.7293 12.8165 12.8171 15.0651 15.1011 15.1644 15.1717 15.3001 15.3020 15.6976 15.6998 k = 0.4844 0.2797 0.2552 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9315 -10.9315 -10.9281 -10.9281 -7.9773 -7.9771 -7.9628 -7.9628 -7.9570 -7.9568 2.0982 2.0995 7.3330 7.3576 9.4093 9.4476 9.9929 9.9936 11.5380 11.5420 11.5943 11.5945 11.6954 11.6975 12.7015 12.7223 12.8062 12.8074 15.0339 15.0819 15.1579 15.1684 15.2945 15.2972 15.7505 15.7530 k = 0.4805 0.2774 0.2679 ( 4844 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9315 -10.9315 -10.9282 -10.9281 -7.9773 -7.9771 -7.9630 -7.9630 -7.9570 -7.9568 2.0992 2.1009 7.3437 7.3746 9.4015 9.4498 9.9904 9.9918 11.5411 11.5461 11.5981 11.5985 11.6953 11.6979 12.6862 12.7127 12.7932 12.7955 14.9987 15.0572 15.1544 15.1667 15.2884 15.2917 15.8105 15.8133 k = 0.4766 0.2751 0.2807 ( 4841 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9282 -10.9282 -7.9774 -7.9771 -7.9632 -7.9631 -7.9570 -7.9567 2.1006 2.1026 7.3574 7.3947 9.3926 9.4512 9.9876 9.9899 11.5455 11.5513 11.6033 11.6039 11.6955 11.6985 12.6681 12.7006 12.7781 12.7817 14.9616 15.0298 15.1529 15.1663 15.2820 15.2860 15.8750 15.8786 k = 0.4727 0.2729 0.2934 ( 4845 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9116 -42.1806 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9283 -10.9282 -7.9774 -7.9770 -7.9634 -7.9634 -7.9570 -7.9566 2.1021 2.1044 7.3740 7.4178 9.3826 9.4518 9.9846 9.9882 11.5502 11.5570 11.6091 11.6100 11.6957 11.6990 12.6468 12.6857 12.7606 12.7659 14.9237 15.0014 15.1524 15.1667 15.2755 15.2800 15.9419 15.9468 k = 0.4688 0.2706 0.3062 ( 4845 PWs) bands (ev): -78.2104 -78.2104 -43.9117 -43.9116 -42.1807 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9283 -10.9283 -7.9774 -7.9770 -7.9636 -7.9636 -7.9570 -7.9565 2.1039 2.1065 7.3934 7.4439 9.3713 9.4513 9.9819 9.9869 11.5557 11.5634 11.6157 11.6171 11.6962 11.6999 12.6233 12.6684 12.7415 12.7485 14.8859 14.9731 15.1525 15.1676 15.2693 15.2741 16.0094 16.0162 k = 0.4648 0.2684 0.3189 ( 4841 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1806 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9284 -10.9283 -7.9774 -7.9769 -7.9639 -7.9639 -7.9569 -7.9564 2.1060 2.1089 7.4155 7.4729 9.3585 9.4496 9.9796 9.9863 11.5619 11.5704 11.6230 11.6252 11.6973 11.7010 12.5975 12.6487 12.7212 12.7299 14.8482 14.9446 15.1532 15.1690 15.2637 15.2686 16.0760 16.0851 k = 0.4609 0.2661 0.3317 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1806 -42.1805 -42.1802 -42.1802 -10.9316 -10.9316 -10.9285 -10.9284 -7.9774 -7.9769 -7.9642 -7.9642 -7.9569 -7.9563 2.1082 2.1114 7.4403 7.5048 9.3441 9.4465 9.9779 9.9864 11.5683 11.5776 11.6309 11.6341 11.6988 11.7023 12.5694 12.6265 12.6995 12.7098 14.8108 14.9162 15.1544 15.1708 15.2591 15.2637 16.1395 16.1516 k = 0.4570 0.2639 0.3445 ( 4839 PWs) bands (ev): -78.2103 -78.2102 -43.9117 -43.9115 -42.1806 -42.1805 -42.1802 -42.1801 -10.9316 -10.9316 -10.9286 -10.9285 -7.9775 -7.9768 -7.9645 -7.9645 -7.9568 -7.9561 2.1107 2.1141 7.4676 7.5395 9.3280 9.4418 9.9772 9.9876 11.5750 11.5848 11.6390 11.6436 11.7014 11.7041 12.5395 12.6020 12.6769 12.6884 14.7737 14.8875 15.1561 15.1729 15.2556 15.2597 16.1979 16.2134 k = 0.4531 0.2616 0.3572 ( 4837 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9115 -42.1806 -42.1804 -42.1802 -42.1801 -10.9317 -10.9316 -10.9287 -10.9285 -7.9775 -7.9768 -7.9648 -7.9648 -7.9567 -7.9560 2.1133 2.1169 7.4972 7.5768 9.3101 9.4355 9.9776 9.9899 11.5816 11.5919 11.6472 11.6536 11.7054 11.7066 12.5080 12.5754 12.6537 12.6661 14.7367 14.8583 15.1586 15.1753 15.2537 15.2570 16.2489 16.2679 k = 0.4492 0.2594 0.3700 ( 4837 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9115 -42.1806 -42.1804 -42.1802 -42.1801 -10.9317 -10.9316 -10.9288 -10.9286 -7.9775 -7.9767 -7.9652 -7.9652 -7.9567 -7.9558 2.1161 2.1199 7.5292 7.6168 9.2904 9.4275 9.9794 9.9934 11.5881 11.5985 11.6554 11.6640 11.7102 11.7111 12.4751 12.5471 12.6294 12.6423 14.6999 14.8284 15.1620 15.1781 15.2533 15.2555 16.2899 16.3123 k = 0.4453 0.2571 0.3827 ( 4842 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9317 -10.9316 -10.9289 -10.9287 -7.9776 -7.9767 -7.9656 -7.9656 -7.9565 -7.9556 2.1190 2.1230 7.5632 7.6592 9.2690 9.4176 9.9828 9.9983 11.5938 11.6038 11.6631 11.6740 11.7153 11.7189 12.4407 12.5168 12.6045 12.6177 14.6628 14.7973 15.1667 15.1815 15.2546 15.2555 16.3184 16.3433 k = 0.4414 0.2548 0.3955 ( 4845 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1807 -42.1805 -42.1802 -42.1802 -10.9317 -10.9316 -10.9290 -10.9288 -7.9776 -7.9766 -7.9660 -7.9660 -7.9564 -7.9555 2.1220 2.1262 7.5991 7.7040 9.2459 9.4062 9.9879 10.0047 11.5984 11.6078 11.6706 11.6836 11.7223 11.7288 12.4060 12.4858 12.5792 12.5925 14.6258 14.7653 15.1726 15.1855 15.2569 15.2575 16.3325 16.3588 k = 0.4375 0.2526 0.4082 ( 4854 PWs) bands (ev): -78.2106 -78.2106 -43.9118 -43.9116 -42.1808 -42.1805 -42.1802 -42.1802 -10.9318 -10.9316 -10.9291 -10.9289 -7.9777 -7.9766 -7.9665 -7.9664 -7.9563 -7.9553 2.1250 2.1295 7.6368 7.7510 9.2211 9.3931 9.9947 10.0124 11.6019 11.6102 11.6782 11.6923 11.7318 11.7408 12.3701 12.4533 12.5530 12.5662 14.5885 14.7320 15.1801 15.1903 15.2597 15.2619 16.3315 16.3581 k = 0.4336 0.2503 0.4210 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9318 -10.9316 -10.9293 -10.9289 -7.9777 -7.9765 -7.9669 -7.9668 -7.9562 -7.9551 2.1281 2.1327 7.6759 7.8001 9.1950 9.3787 10.0035 10.0217 11.6048 11.6116 11.6870 11.7011 11.7443 11.7551 12.3347 12.4211 12.5270 12.5398 14.5514 14.6981 15.1895 15.1963 15.2641 15.2682 16.3164 16.3423 k = 0.4297 0.2481 0.4338 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9318 -10.9316 -10.9294 -10.9290 -7.9778 -7.9765 -7.9674 -7.9673 -7.9560 -7.9548 2.1312 2.1360 7.7162 7.8510 9.1676 9.3633 10.0140 10.0324 11.6056 11.6109 11.6957 11.7091 11.7584 11.7707 12.2991 12.3883 12.5005 12.5128 14.5141 14.6630 15.2004 15.2035 15.2695 15.2759 16.2894 16.3143 k = 0.4258 0.2458 0.4465 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1807 -42.1804 -42.1802 -42.1802 -10.9319 -10.9316 -10.9295 -10.9291 -7.9779 -7.9765 -7.9679 -7.9677 -7.9558 -7.9546 2.1343 2.1392 7.7573 7.9035 9.1393 9.3471 10.0261 10.0445 11.6049 11.6088 11.7048 11.7173 11.7739 11.7874 12.2633 12.3550 12.4739 12.4856 14.4768 14.6271 15.2119 15.2129 15.2761 15.2850 16.2533 16.2777 k = 0.4219 0.2436 0.4593 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9319 -10.9316 -10.9297 -10.9291 -7.9779 -7.9764 -7.9683 -7.9682 -7.9557 -7.9544 2.1373 2.1422 7.7991 7.9573 9.1102 9.3305 10.0399 10.0579 11.6026 11.6054 11.7143 11.7258 11.7903 11.8050 12.2278 12.3218 12.4473 12.4582 14.4398 14.5907 15.2217 15.2268 15.2836 15.2958 16.2112 16.2358 k = 0.4180 0.2413 0.4720 ( 4844 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1801 -10.9320 -10.9316 -10.9298 -10.9292 -7.9780 -7.9764 -7.9688 -7.9686 -7.9555 -7.9541 2.1402 2.1452 7.8409 8.0122 9.0807 9.3141 10.0552 10.0724 11.5988 11.6008 11.7241 11.7349 11.8077 11.8234 12.1927 12.2886 12.4206 12.4306 14.4031 14.5541 15.2328 15.2419 15.2920 15.3081 16.1659 16.1916 k = 0.4141 0.2391 0.4848 ( 4845 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1801 -10.9321 -10.9316 -10.9300 -10.9293 -7.9781 -7.9764 -7.9693 -7.9691 -7.9553 -7.9539 2.1429 2.1480 7.8826 8.0677 9.0514 9.2983 10.0719 10.0882 11.5937 11.5951 11.7337 11.7438 11.8254 11.8423 12.1584 12.2558 12.3945 12.4033 14.3668 14.5174 15.2451 15.2580 15.3011 15.3221 16.1194 16.1474 k = 0.4102 0.2368 0.4976 ( 4845 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1801 -10.9321 -10.9316 -10.9301 -10.9293 -7.9782 -7.9764 -7.9698 -7.9695 -7.9551 -7.9537 2.1454 2.1505 7.9234 8.1232 9.0226 9.2836 10.0899 10.1051 11.5875 11.5888 11.7432 11.7530 11.8434 11.8612 12.1250 12.2234 12.3688 12.3764 14.3314 14.4810 15.2586 15.2746 15.3108 15.3377 16.0735 16.1047 k = 0.4062 0.2345 0.5103 ( 4839 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1807 -42.1804 -42.1802 -42.1801 -10.9322 -10.9316 -10.9303 -10.9294 -7.9783 -7.9763 -7.9703 -7.9700 -7.9549 -7.9534 2.1476 2.1527 7.9630 8.1782 8.9952 9.2706 10.1090 10.1229 11.5805 11.5820 11.7528 11.7627 11.8617 11.8802 12.0933 12.1917 12.3438 12.3499 14.2969 14.4453 15.2731 15.2917 15.3210 15.3548 16.0295 16.0650 k = 0.4023 0.2323 0.5231 ( 4837 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1807 -42.1804 -42.1802 -42.1801 -10.9323 -10.9316 -10.9304 -10.9294 -7.9783 -7.9763 -7.9708 -7.9704 -7.9546 -7.9532 2.1495 2.1546 8.0008 8.2316 8.9699 9.2598 10.1291 10.1417 11.5727 11.5745 11.7616 11.7721 11.8794 11.8981 12.0635 12.1607 12.3198 12.3242 14.2635 14.4103 15.2883 15.3088 15.3314 15.3732 15.9887 16.0291 k = 0.3984 0.2300 0.5358 ( 4843 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9324 -10.9316 -10.9305 -10.9294 -7.9784 -7.9763 -7.9713 -7.9709 -7.9544 -7.9530 2.1510 2.1561 8.0361 8.2823 8.9480 9.2519 10.1501 10.1611 11.5641 11.5665 11.7696 11.7811 11.8961 11.9136 12.0364 12.1299 12.2969 12.2993 14.2311 14.3761 15.3037 15.3258 15.3419 15.3922 15.9518 15.9979 k = 0.3945 0.2278 0.5486 ( 4845 PWs) bands (ev): -78.2104 -78.2103 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9325 -10.9316 -10.9307 -10.9295 -7.9785 -7.9764 -7.9717 -7.9713 -7.9542 -7.9527 2.1521 2.1571 8.0684 8.3286 8.9312 9.2475 10.1720 10.1814 11.5554 11.5586 11.7768 11.7900 11.9116 11.9241 12.0152 12.1003 12.2758 12.2760 14.2002 14.3432 15.3192 15.3427 15.3525 15.4116 15.9198 15.9718 k = 0.3906 0.2255 0.5613 ( 4843 PWs) bands (ev): -78.2103 -78.2103 -43.9118 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9326 -10.9316 -10.9308 -10.9295 -7.9786 -7.9764 -7.9722 -7.9718 -7.9540 -7.9525 2.1526 2.1576 8.0971 8.3685 8.9214 9.2471 10.1946 10.2024 11.5468 11.5507 11.7828 11.7987 11.9251 11.9252 12.0046 12.0721 12.2547 12.2570 14.1711 14.3119 15.3340 15.3593 15.3633 15.4303 15.8934 15.9511 k = 0.3867 0.2233 0.5741 ( 4841 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9114 -42.1808 -42.1804 -42.1802 -42.1801 -10.9327 -10.9316 -10.9309 -10.9295 -7.9786 -7.9764 -7.9726 -7.9722 -7.9538 -7.9523 2.1525 2.1575 8.1218 8.3997 8.9208 9.2512 10.2179 10.2240 11.5385 11.5432 11.7871 11.8073 11.9152 11.9358 12.0050 12.0451 12.2361 12.2411 14.1435 14.2821 15.3474 15.3741 15.3752 15.4476 15.8732 15.9357 k = 0.3828 0.2210 0.5869 ( 4851 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9328 -10.9317 -10.9309 -10.9295 -7.9787 -7.9765 -7.9730 -7.9726 -7.9536 -7.9521 2.1519 2.1568 8.1421 8.4204 8.9312 9.2600 10.2416 10.2460 11.5304 11.5358 11.7882 11.8146 11.8996 11.9418 12.0104 12.0199 12.2209 12.2284 14.1174 14.2538 15.3587 15.3848 15.3899 15.4625 15.8589 15.9239 k = 0.3789 0.2188 0.5996 ( 4847 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1801 -10.9329 -10.9318 -10.9309 -10.9295 -7.9788 -7.9766 -7.9733 -7.9730 -7.9534 -7.9520 2.1505 2.1553 8.1578 8.4300 8.9534 9.2738 10.2660 10.2686 11.5234 11.5294 11.7856 11.8218 11.8855 11.9417 11.9990 12.0156 12.2108 12.2202 14.0934 14.2276 15.3675 15.3951 15.4029 15.4746 15.8480 15.9091 k = 0.3750 0.2165 0.6124 ( 4854 PWs) bands (ev): -78.2106 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9330 -10.9320 -10.9309 -10.9295 -7.9788 -7.9768 -7.9736 -7.9733 -7.9533 -7.9518 2.1483 2.1530 8.1689 8.4292 8.9864 9.2926 10.2906 10.2914 11.5172 11.5238 11.7774 11.8275 11.8749 11.9334 11.9829 12.0173 12.2059 12.2161 14.0709 14.2029 15.3733 15.4037 15.4124 15.4836 15.8276 15.8752 k = 0.6250-0.0722 0.4082 ( 4854 PWs) bands (ev): -78.2106 -78.2105 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1802 -10.9330 -10.9320 -10.9309 -10.9295 -7.9788 -7.9768 -7.9736 -7.9733 -7.9533 -7.9518 2.1483 2.1530 8.1689 8.4292 8.9864 9.2926 10.2906 10.2914 11.5172 11.5238 11.7774 11.8275 11.8749 11.9334 11.9829 12.0173 12.2059 12.2161 14.0709 14.2029 15.3733 15.4037 15.4124 15.4836 15.8276 15.8752 k = 0.6181-0.0842 0.4082 ( 4852 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1805 -42.1802 -42.1802 -10.9333 -10.9322 -10.9309 -10.9295 -7.9790 -7.9771 -7.9740 -7.9740 -7.9530 -7.9516 2.1433 2.1478 8.1830 8.4173 9.0585 9.3344 10.3330 10.3354 11.5075 11.5148 11.7536 11.8367 11.8651 11.9040 11.9676 12.0173 12.2028 12.2132 14.0344 14.1624 15.3768 15.4170 15.4227 15.4960 15.7444 15.7892 k = 0.6111-0.0962 0.4082 ( 4848 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1808 -42.1804 -42.1802 -42.1801 -10.9335 -10.9325 -10.9308 -10.9295 -7.9791 -7.9775 -7.9746 -7.9744 -7.9527 -7.9513 2.1375 2.1418 8.1936 8.4017 9.1387 9.3840 10.3754 10.3812 11.4976 11.5055 11.7220 11.8446 11.8621 11.8653 11.9621 12.0185 12.2000 12.2110 14.0008 14.1246 15.3680 15.4228 15.4307 15.5066 15.6571 15.7093 k = 0.6042-0.1083 0.4082 ( 4842 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9114 -42.1808 -42.1804 -42.1801 -42.1801 -10.9337 -10.9328 -10.9307 -10.9294 -7.9793 -7.9780 -7.9751 -7.9747 -7.9524 -7.9511 2.1313 2.1353 8.2010 8.3843 9.2248 9.4406 10.4181 10.4275 11.4870 11.4953 11.6871 11.8194 11.8571 11.8628 11.9595 12.0203 12.1978 12.2095 13.9701 14.0894 15.3391 15.3981 15.4452 15.5147 15.5967 15.6497 k = 0.5972-0.1203 0.4082 ( 4846 PWs) bands (ev): -78.2104 -78.2104 -43.9118 -43.9115 -42.1808 -42.1805 -42.1802 -42.1801 -10.9339 -10.9331 -10.9307 -10.9294 -7.9795 -7.9785 -7.9756 -7.9750 -7.9521 -7.9509 2.1246 2.1285 8.2055 8.3660 9.3151 9.5032 10.4605 10.4739 11.4752 11.4834 11.6513 11.7759 11.8645 11.8655 11.9580 12.0225 12.1955 12.2081 13.9421 14.0564 15.2877 15.3381 15.4600 15.5211 15.5747 15.6144 k = 0.5903-0.1323 0.4082 ( 4862 PWs) bands (ev): -78.2108 -78.2108 -43.9119 -43.9116 -42.1809 -42.1805 -42.1803 -42.1802 -10.9342 -10.9334 -10.9306 -10.9294 -7.9798 -7.9790 -7.9760 -7.9752 -7.9519 -7.9507 2.1177 2.1214 8.2077 8.3477 9.4082 9.5706 10.5022 10.5197 11.4615 11.4685 11.6165 11.7325 11.8666 11.8733 11.9573 12.0253 12.1932 12.2069 13.9161 14.0253 15.2196 15.2577 15.4749 15.5288 15.5743 15.5983 k = 0.5833-0.1443 0.4082 ( 4858 PWs) bands (ev): -78.2107 -78.2107 -43.9118 -43.9116 -42.1808 -42.1805 -42.1802 -42.1802 -10.9344 -10.9337 -10.9306 -10.9294 -7.9801 -7.9795 -7.9764 -7.9754 -7.9516 -7.9505 2.1108 2.1142 8.2082 8.3297 9.5033 9.6421 10.5428 10.5647 11.4459 11.4497 11.5871 11.6923 11.8697 11.8815 11.9583 12.0296 12.1917 12.2068 13.8930 13.9967 15.1435 15.1720 15.4898 15.5382 15.5808 15.5937 k = 0.5764-0.1564 0.4082 ( 4858 PWs) bands (ev): -78.2107 -78.2107 -43.9118 -43.9116 -42.1808 -42.1806 -42.1802 -42.1802 -10.9346 -10.9339 -10.9305 -10.9295 -7.9805 -7.9801 -7.9766 -7.9756 -7.9514 -7.9504 2.1039 2.1070 8.2073 8.3125 9.5992 9.7164 10.5813 10.6078 11.4254 11.4269 11.5638 11.6556 11.8727 11.8887 11.9606 12.0344 12.1906 12.2072 13.8721 13.9699 15.0656 15.0873 15.5041 15.5481 15.5892 15.5948 k = 0.5694-0.1684 0.4082 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9115 -42.1808 -42.1805 -42.1802 -42.1801 -10.9348 -10.9342 -10.9304 -10.9295 -7.9809 -7.9806 -7.9768 -7.9757 -7.9512 -7.9502 2.0973 2.1001 8.2055 8.2962 9.6953 9.7925 10.6170 10.6484 11.3959 11.4037 11.5474 11.6243 11.8759 11.8948 11.9652 12.0404 12.1903 12.2083 13.8535 13.9450 14.9893 15.0061 15.5179 15.5582 15.5981 15.5989 k = 0.5625-0.1804 0.4082 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9118 -43.9116 -42.1808 -42.1806 -42.1802 -42.1801 -10.9350 -10.9344 -10.9304 -10.9295 -7.9813 -7.9811 -7.9770 -7.9759 -7.9510 -7.9501 2.0909 2.0934 8.2031 8.2809 9.7906 9.8694 10.6488 10.6853 11.3629 11.3759 11.5363 11.5988 11.8788 11.8993 11.9710 12.0461 12.1903 12.2097 13.8367 13.9215 14.9166 14.9298 15.5308 15.5677 15.6042 15.6067 k = 0.5556-0.1925 0.4082 ( 4838 PWs) bands (ev): -78.2102 -78.2102 -43.9117 -43.9115 -42.1807 -42.1805 -42.1801 -42.1801 -10.9351 -10.9346 -10.9303 -10.9295 -7.9817 -7.9815 -7.9771 -7.9761 -7.9508 -7.9500 2.0849 2.0872 8.2006 8.2668 9.8844 9.9462 10.6758 10.7174 11.3290 11.3446 11.5296 11.5797 11.8820 11.9029 11.9793 12.0525 12.1915 12.2120 13.8221 13.8996 14.8489 14.8594 15.5429 15.5768 15.6100 15.6149 k = 0.5486-0.2045 0.4082 ( 4850 PWs) bands (ev): -78.2105 -78.2105 -43.9117 -43.9116 -42.1808 -42.1806 -42.1802 -42.1801 -10.9353 -10.9348 -10.9303 -10.9295 -7.9820 -7.9819 -7.9771 -7.9762 -7.9506 -7.9499 2.0794 2.0814 8.1982 8.2538 9.9757 10.0218 10.6965 10.7431 11.2959 11.3112 11.5248 11.5647 11.8842 11.9043 11.9876 12.0569 12.1932 12.2140 13.8087 13.8785 14.7871 14.7954 15.5538 15.5848 15.6157 15.6221 k = 0.5417-0.2165 0.4082 ( 4840 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9115 -42.1807 -42.1806 -42.1801 -42.1801 -10.9354 -10.9350 -10.9302 -10.9296 -7.9824 -7.9823 -7.9772 -7.9763 -7.9505 -7.9499 2.0746 2.0763 8.1961 8.2422 10.0637 10.0954 10.7103 10.7610 11.2660 11.2787 11.5227 11.5543 11.8870 11.9055 11.9977 12.0613 12.1966 12.2170 13.7982 13.8596 14.7320 14.7386 15.5638 15.5921 15.6214 15.6288 k = 0.5347-0.2285 0.4082 ( 4842 PWs) bands (ev): -78.2103 -78.2103 -43.9117 -43.9116 -42.1807 -42.1806 -42.1801 -42.1801 -10.9355 -10.9352 -10.9301 -10.9296 -7.9827 -7.9826 -7.9772 -7.9765 -7.9503 -7.9498 2.0703 2.0718 8.1945 8.2318 10.1471 10.1658 10.7160 10.7694 11.2401 11.2491 11.5213 11.5460 11.8894 11.9056 12.0073 12.0633 12.2009 12.2198 13.7897 13.8421 14.6843 14.6895 15.5727 15.5982 15.6266 15.6345 k = 0.5278-0.2406 0.4082 ( 4842 PWs) bands (ev): -78.2104 -78.2103 -43.9117 -43.9116 -42.1807 -42.1806 -42.1801 -42.1801 -10.9356 -10.9353 -10.9301 -10.9297 -7.9829 -7.9829 -7.9772 -7.9766 -7.9502 -7.9498 2.0668 2.0680 8.1936 8.2228 10.2244 10.2319 10.7140 10.7674 11.2194 11.2246 11.5210 11.5399 11.8917 11.9051 12.0169 12.0637 12.2062 12.2225 13.7835 13.8263 14.6445 14.6484 15.5807 15.6030 15.6314 15.6393 k = 0.5208-0.2526 0.4082 ( 4842 PWs) bands (ev): -78.2104 -78.2103 -43.9117 -43.9116 -42.1807 -42.1806 -42.1801 -42.1801 -10.9356 -10.9354 -10.9300 -10.9297 -7.9831 -7.9831 -7.9772 -7.9767 -7.9501 -7.9498 2.0640 2.0649 8.1935 8.2150 10.2917 10.2931 10.7059 10.7551 11.2040 11.2063 11.5215 11.5352 11.8939 11.9043 12.0261 12.0623 12.2117 12.2247 13.7798 13.8124 14.6130 14.6159 15.5879 15.6062 15.6356 15.6428 k = 0.5139-0.2646 0.4082 ( 4826 PWs) bands (ev): -78.2100 -78.2100 -43.9115 -43.9115 -42.1806 -42.1806 -42.1800 -42.1800 -10.9357 -10.9355 -10.9300 -10.9298 -7.9833 -7.9833 -7.9771 -7.9768 -7.9500 -7.9498 2.0621 2.0627 8.1944 8.2085 10.3427 10.3491 10.6956 10.7351 11.1941 11.1946 11.5229 11.5318 11.8967 11.9037 12.0353 12.0599 12.2174 12.2264 13.7793 13.8014 14.5904 14.5923 15.5946 15.6079 15.6395 15.6452 k = 0.5069-0.2766 0.4082 ( 4830 PWs) bands (ev): -78.2101 -78.2101 -43.9115 -43.9115 -42.1806 -42.1806 -42.1800 -42.1800 -10.9357 -10.9356 -10.9299 -10.9298 -7.9833 -7.9833 -7.9771 -7.9769 -7.9499 -7.9498 2.0610 2.0613 8.1962 8.2032 10.3798 10.3857 10.6895 10.7123 11.1880 11.1881 11.5244 11.5288 11.8986 11.9022 12.0429 12.0553 12.2217 12.2263 13.7804 13.7915 14.5769 14.5779 15.6002 15.6073 15.6425 15.6456 k = 0.5000-0.2887 0.4082 ( 4824 PWs) bands (ev): -78.2099 -78.2099 -43.9115 -43.9115 -42.1806 -42.1806 -42.1800 -42.1800 -10.9356 -10.9356 -10.9299 -10.9299 -7.9834 -7.9834 -7.9770 -7.9770 -7.9499 -7.9499 2.0607 2.0607 8.1991 8.1991 10.3963 10.3963 10.6950 10.6950 11.1861 11.1861 11.5269 11.5269 11.9006 11.9006 12.0499 12.0499 12.2248 12.2248 13.7848 13.7848 14.5727 14.5727 15.6047 15.6047 15.6447 15.6447 Writing output data file ZrCoBi.save init_run : 0.70s CPU 0.42s WALL ( 1 calls) electrons : 247.40s CPU 156.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.11s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 247.39s CPU 156.04s 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 : 0.15s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.34s CPU 0.48s WALL ( 339 calls) cegterg : 215.66s CPU 136.59s WALL ( 339 calls) Called by sum_band: Called by *egterg: h_psi : 153.84s CPU 90.14s WALL ( 5802 calls) s_psi : 3.85s CPU 2.24s WALL ( 5802 calls) g_psi : 0.38s CPU 0.22s WALL ( 5124 calls) cdiaghg : 59.00s CPU 42.38s WALL ( 5463 calls) cegterg:over : 9.51s CPU 6.03s WALL ( 5124 calls) cegterg:upda : 7.48s CPU 5.11s WALL ( 5124 calls) cegterg:last : 3.84s CPU 2.50s WALL ( 1017 calls) cdiaghg:chol : 3.18s CPU 2.38s WALL ( 5463 calls) cdiaghg:inve : 1.83s CPU 1.34s WALL ( 5463 calls) cdiaghg:para : 3.25s CPU 2.37s WALL ( 10926 calls) Called by h_psi: h_psi:vloc : 140.46s CPU 81.94s WALL ( 5802 calls) h_psi:vnl : 13.01s CPU 7.96s WALL ( 5802 calls) add_vuspsi : 7.48s CPU 4.44s WALL ( 5802 calls) General routines calbec : 5.49s CPU 3.50s WALL ( 5802 calls) fft : 0.05s CPU 0.02s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 131.10s CPU 76.17s WALL ( 626244 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.47s CPU 0.86s WALL ( 678 calls) Parallel routines fft_scatter : 57.23s CPU 35.15s WALL ( 626267 calls) PWSCF : 4m23.68s CPU 3m 2.90s WALL This run was terminated on: 2:38:26 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=