Program PWSCF v.5.4.0 starts on 11Feb2017 at 6:11:49 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: ./CdSbAu.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 85 22 6 3131 410 66 Max 86 23 7 3135 429 69 Sum 3079 805 241 112771 15089 2445 bravais-lattice index = 14 lattice parameter (alat) = 8.3558 a.u. unit-cell volume = 412.5185 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.355764 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) Sb 5.00 121.76000 Sb( 1.00) Au 11.00 196.96660 Au( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0029674 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0029674 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0029674 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0029674 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0029674 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0029674 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0029674 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0029674 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0029674 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0029674 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0029674 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0029674 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0029674 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0029674 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0029674 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0029674 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0029674 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0029674 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0029674 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0029674 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0029674 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0029674 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0029674 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0029674 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0029674 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0029674 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0029674 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0029674 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0029674 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0029674 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0029674 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0029674 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0029674 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0029674 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0029674 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0029674 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0029674 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0029674 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0029674 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0029674 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0029674 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0029674 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0029674 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0029674 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0029674 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0029674 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0029674 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0029674 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0029674 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0029674 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0029674 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0029674 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0029674 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0029674 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0029674 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0029674 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0029674 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0029674 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0029674 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0029674 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0029674 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0029674 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0029674 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0029674 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0029674 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0029674 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0029674 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0029674 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0029674 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0029674 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0029674 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0029674 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0029674 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0029674 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0029674 k( 79) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 80) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 81) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029674 k( 82) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029674 k( 83) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029674 k( 84) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029674 k( 85) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029674 k( 86) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029674 k( 87) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029674 k( 88) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029674 k( 89) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029674 k( 90) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029674 k( 91) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029674 k( 92) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029674 k( 93) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029674 k( 94) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029674 k( 95) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029674 k( 96) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029674 k( 97) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029674 k( 98) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 100) = ( 0.3680556 0.2124970 0.6010322), wk = 0.0029674 k( 101) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0029674 k( 102) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0029674 k( 103) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0029674 k( 104) = ( 0.3402778 0.1964595 0.5556713), wk = 0.0029674 k( 105) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0029674 k( 106) = ( 0.3263889 0.1884407 0.5329908), wk = 0.0029674 k( 107) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0029674 k( 108) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0029674 k( 109) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0029674 k( 110) = ( 0.2986111 0.1724032 0.4876299), wk = 0.0029674 k( 111) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0029674 k( 112) = ( 0.2847222 0.1643845 0.4649494), wk = 0.0029674 k( 113) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0029674 k( 114) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0029674 k( 115) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0029674 k( 116) = ( 0.2569444 0.1483469 0.4195885), wk = 0.0029674 k( 117) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0029674 k( 118) = ( 0.2430556 0.1403282 0.3969081), wk = 0.0029674 k( 119) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0029674 k( 120) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0029674 k( 121) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0029674 k( 122) = ( 0.2152778 0.1242907 0.3515471), wk = 0.0029674 k( 123) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0029674 k( 124) = ( 0.2013889 0.1162719 0.3288667), wk = 0.0029674 k( 125) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0029674 k( 126) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0029674 k( 127) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0029674 k( 128) = ( 0.1736111 0.1002344 0.2835058), wk = 0.0029674 k( 129) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0029674 k( 130) = ( 0.1597222 0.0922157 0.2608253), wk = 0.0029674 k( 131) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0029674 k( 132) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0029674 k( 133) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0029674 k( 134) = ( 0.1319444 0.0761782 0.2154644), wk = 0.0029674 k( 135) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0029674 k( 136) = ( 0.1180556 0.0681594 0.1927839), wk = 0.0029674 k( 137) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0029674 k( 138) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0029674 k( 139) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0029674 k( 140) = ( 0.0902778 0.0521219 0.1474230), wk = 0.0029674 k( 141) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0029674 k( 142) = ( 0.0763889 0.0441031 0.1247425), wk = 0.0029674 k( 143) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0029674 k( 144) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0029674 k( 145) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0029674 k( 146) = ( 0.0486111 0.0280656 0.0793816), wk = 0.0029674 k( 147) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0029674 k( 148) = ( 0.0347222 0.0200469 0.0567011), wk = 0.0029674 k( 149) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0029674 k( 150) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0029674 k( 151) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0029674 k( 152) = ( 0.0069444 0.0040094 0.0113402), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029674 k( 156) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029674 k( 157) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029674 k( 158) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029674 k( 159) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029674 k( 160) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029674 k( 161) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029674 k( 162) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029674 k( 163) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029674 k( 164) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029674 k( 165) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029674 k( 166) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029674 k( 167) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029674 k( 168) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029674 k( 169) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029674 k( 170) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029674 k( 171) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029674 k( 172) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029674 k( 173) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029674 k( 174) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029674 k( 175) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029674 k( 176) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029674 k( 177) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029674 k( 178) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029674 k( 179) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029674 k( 180) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029674 k( 181) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029674 k( 182) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029674 k( 183) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029674 k( 184) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029674 k( 185) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029674 k( 186) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029674 k( 187) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029674 k( 188) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029674 k( 189) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029674 k( 190) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029674 k( 191) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029674 k( 192) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029674 k( 193) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029674 k( 194) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029674 k( 195) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029674 k( 196) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029674 k( 197) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029674 k( 198) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 199) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 200) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0029674 k( 201) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0029674 k( 202) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0029674 k( 203) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0029674 k( 204) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0029674 k( 205) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0029674 k( 206) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0029674 k( 207) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0029674 k( 208) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0029674 k( 209) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0029674 k( 210) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0029674 k( 211) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0029674 k( 212) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0029674 k( 213) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0029674 k( 214) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0029674 k( 215) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0029674 k( 216) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0029674 k( 217) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0029674 k( 218) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0029674 k( 219) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0029674 k( 220) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0029674 k( 221) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0029674 k( 222) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0029674 k( 223) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0029674 k( 224) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0029674 k( 225) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0029674 k( 226) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0029674 k( 227) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0029674 k( 228) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0029674 k( 229) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0029674 k( 230) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 231) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 232) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029674 k( 233) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029674 k( 234) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029674 k( 235) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029674 k( 236) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029674 k( 237) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029674 k( 238) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029674 k( 239) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029674 k( 240) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029674 k( 241) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029674 k( 242) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029674 k( 243) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029674 k( 244) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029674 k( 245) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029674 k( 246) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029674 k( 247) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029674 k( 248) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029674 k( 249) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 250) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0029674 k( 251) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029674 k( 252) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029674 k( 253) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029674 k( 254) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029674 k( 255) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029674 k( 256) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029674 k( 257) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029674 k( 258) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029674 k( 259) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029674 k( 260) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029674 k( 261) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029674 k( 262) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029674 k( 263) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029674 k( 264) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029674 k( 265) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029674 k( 266) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029674 k( 267) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029674 k( 268) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029674 k( 269) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029674 k( 270) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029674 k( 271) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029674 k( 272) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029674 k( 273) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029674 k( 274) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029674 k( 275) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029674 k( 276) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029674 k( 277) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029674 k( 278) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029674 k( 279) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029674 k( 280) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029674 k( 281) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029674 k( 282) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029674 k( 283) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029674 k( 284) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029674 k( 285) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029674 k( 286) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 288) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0029674 k( 289) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0029674 k( 290) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0029674 k( 291) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0029674 k( 292) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0029674 k( 293) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0029674 k( 294) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0029674 k( 295) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0029674 k( 296) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0029674 k( 297) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0029674 k( 298) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0029674 k( 299) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0029674 k( 300) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0029674 k( 301) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0029674 k( 302) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0029674 k( 303) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0029674 k( 304) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0029674 k( 305) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0029674 k( 306) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0029674 k( 307) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0029674 k( 308) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0029674 k( 309) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0029674 k( 310) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0029674 k( 311) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0029674 k( 312) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0029674 k( 313) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0029674 k( 314) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0029674 k( 315) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0029674 k( 316) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0029674 k( 317) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0029674 k( 318) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 319) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 320) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029674 k( 321) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029674 k( 322) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029674 k( 323) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029674 k( 324) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029674 k( 325) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029674 k( 326) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029674 k( 327) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029674 k( 328) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029674 k( 329) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029674 k( 330) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029674 k( 331) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029674 k( 332) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029674 k( 333) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029674 k( 334) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029674 k( 335) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029674 k( 336) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029674 k( 337) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0098039 -0.0000000 0.0098039), wk = 0.0029674 k( 3) = ( 0.0196078 -0.0000000 0.0196078), wk = 0.0029674 k( 4) = ( 0.0294118 0.0000000 0.0294118), wk = 0.0029674 k( 5) = ( 0.0392157 -0.0000000 0.0392157), wk = 0.0029674 k( 6) = ( 0.0490196 -0.0000000 0.0490196), wk = 0.0029674 k( 7) = ( 0.0588235 0.0000000 0.0588235), wk = 0.0029674 k( 8) = ( 0.0686275 -0.0000000 0.0686275), wk = 0.0029674 k( 9) = ( 0.0784314 -0.0000000 0.0784314), wk = 0.0029674 k( 10) = ( 0.0882353 -0.0000000 0.0882353), wk = 0.0029674 k( 11) = ( 0.0980392 -0.0000000 0.0980392), wk = 0.0029674 k( 12) = ( 0.1078431 0.0000000 0.1078431), wk = 0.0029674 k( 13) = ( 0.1176471 0.0000000 0.1176471), wk = 0.0029674 k( 14) = ( 0.1274510 -0.0000000 0.1274510), wk = 0.0029674 k( 15) = ( 0.1372549 -0.0000000 0.1372549), wk = 0.0029674 k( 16) = ( 0.1470588 -0.0000000 0.1470588), wk = 0.0029674 k( 17) = ( 0.1568627 -0.0000000 0.1568628), wk = 0.0029674 k( 18) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0029674 k( 19) = ( 0.1764706 -0.0000000 0.1764706), wk = 0.0029674 k( 20) = ( 0.1862745 -0.0000000 0.1862745), wk = 0.0029674 k( 21) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0029674 k( 22) = ( 0.2058823 -0.0000000 0.2058823), wk = 0.0029674 k( 23) = ( 0.2156863 0.0000000 0.2156863), wk = 0.0029674 k( 24) = ( 0.2254902 0.0000000 0.2254902), wk = 0.0029674 k( 25) = ( 0.2352941 0.0000000 0.2352941), wk = 0.0029674 k( 26) = ( 0.2450980 0.0000000 0.2450980), wk = 0.0029674 k( 27) = ( 0.2549020 -0.0000000 0.2549020), wk = 0.0029674 k( 28) = ( 0.2647059 -0.0000000 0.2647059), wk = 0.0029674 k( 29) = ( 0.2745098 -0.0000000 0.2745098), wk = 0.0029674 k( 30) = ( 0.2843137 -0.0000000 0.2843137), wk = 0.0029674 k( 31) = ( 0.2941177 -0.0000000 0.2941177), wk = 0.0029674 k( 32) = ( 0.3039216 -0.0000000 0.3039216), wk = 0.0029674 k( 33) = ( 0.3137255 0.0000000 0.3137255), wk = 0.0029674 k( 34) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0029674 k( 35) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0029674 k( 36) = ( 0.3431373 -0.0000000 0.3431372), wk = 0.0029674 k( 37) = ( 0.3529412 -0.0000000 0.3529412), wk = 0.0029674 k( 38) = ( 0.3627451 0.0000000 0.3627451), wk = 0.0029674 k( 39) = ( 0.3725490 -0.0000000 0.3725490), wk = 0.0029674 k( 40) = ( 0.3823529 0.0000000 0.3823529), wk = 0.0029674 k( 41) = ( 0.3921569 -0.0000000 0.3921569), wk = 0.0029674 k( 42) = ( 0.4019608 0.0000000 0.4019608), wk = 0.0029674 k( 43) = ( 0.4117647 0.0000000 0.4117647), wk = 0.0029674 k( 44) = ( 0.4215686 -0.0000000 0.4215686), wk = 0.0029674 k( 45) = ( 0.4313726 0.0000000 0.4313726), wk = 0.0029674 k( 46) = ( 0.4411765 0.0000000 0.4411765), wk = 0.0029674 k( 47) = ( 0.4509804 -0.0000000 0.4509804), wk = 0.0029674 k( 48) = ( 0.4607843 0.0000000 0.4607843), wk = 0.0029674 k( 49) = ( 0.4705882 0.0000000 0.4705882), wk = 0.0029674 k( 50) = ( 0.4803922 0.0000000 0.4803922), wk = 0.0029674 k( 51) = ( 0.4901961 0.0000000 0.4901961), wk = 0.0029674 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 k( 54) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0029674 k( 55) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0029674 k( 56) = ( 0.5000000 0.0288462 0.5288462), wk = 0.0029674 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0029674 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0029674 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0029674 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0029674 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0029674 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0029674 k( 63) = ( 0.5000000 0.0961539 0.5961538), wk = 0.0029674 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0029674 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0029674 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0029674 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0029674 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0029674 k( 69) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0029674 k( 70) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0029674 k( 71) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0029674 k( 72) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0029674 k( 73) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0029674 k( 74) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0029674 k( 75) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0029674 k( 76) = ( 0.5000000 0.2211539 0.7211538), wk = 0.0029674 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0029674 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0029674 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 81) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029674 k( 82) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029674 k( 83) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029674 k( 84) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029674 k( 85) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029674 k( 86) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029674 k( 87) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029674 k( 88) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029674 k( 89) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029674 k( 90) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029674 k( 91) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029674 k( 92) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029674 k( 93) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029674 k( 94) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029674 k( 95) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029674 k( 96) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029674 k( 97) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029674 k( 98) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 100) = ( 0.3680556 0.3680556 0.7361111), wk = 0.0029674 k( 101) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0029674 k( 102) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0029674 k( 103) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0029674 k( 104) = ( 0.3402778 0.3402778 0.6805556), wk = 0.0029674 k( 105) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0029674 k( 106) = ( 0.3263889 0.3263889 0.6527778), wk = 0.0029674 k( 107) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0029674 k( 108) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0029674 k( 109) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0029674 k( 110) = ( 0.2986111 0.2986111 0.5972222), wk = 0.0029674 k( 111) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0029674 k( 112) = ( 0.2847222 0.2847222 0.5694444), wk = 0.0029674 k( 113) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0029674 k( 114) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0029674 k( 115) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0029674 k( 116) = ( 0.2569444 0.2569444 0.5138889), wk = 0.0029674 k( 117) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029674 k( 118) = ( 0.2430556 0.2430556 0.4861111), wk = 0.0029674 k( 119) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0029674 k( 120) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0029674 k( 121) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0029674 k( 122) = ( 0.2152778 0.2152778 0.4305556), wk = 0.0029674 k( 123) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0029674 k( 124) = ( 0.2013889 0.2013889 0.4027778), wk = 0.0029674 k( 125) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0029674 k( 126) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0029674 k( 127) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0029674 k( 128) = ( 0.1736111 0.1736111 0.3472222), wk = 0.0029674 k( 129) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029674 k( 130) = ( 0.1597222 0.1597222 0.3194444), wk = 0.0029674 k( 131) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0029674 k( 132) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0029674 k( 133) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0029674 k( 134) = ( 0.1319444 0.1319444 0.2638889), wk = 0.0029674 k( 135) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0029674 k( 136) = ( 0.1180556 0.1180556 0.2361111), wk = 0.0029674 k( 137) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0029674 k( 138) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0029674 k( 139) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0029674 k( 140) = ( 0.0902778 0.0902778 0.1805556), wk = 0.0029674 k( 141) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0029674 k( 142) = ( 0.0763889 0.0763889 0.1527778), wk = 0.0029674 k( 143) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0029674 k( 144) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0029674 k( 145) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0029674 k( 146) = ( 0.0486111 0.0486111 0.0972222), wk = 0.0029674 k( 147) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0029674 k( 148) = ( 0.0347222 0.0347222 0.0694444), wk = 0.0029674 k( 149) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0029674 k( 150) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0029674 k( 151) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0029674 k( 152) = ( 0.0069444 0.0069444 0.0138889), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029674 k( 156) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029674 k( 157) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029674 k( 158) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0029674 k( 159) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0029674 k( 160) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0029674 k( 161) = ( 0.0795455 0.0795454 0.0795455), wk = 0.0029674 k( 162) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029674 k( 163) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0029674 k( 164) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0029674 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029674 k( 166) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029674 k( 167) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0029674 k( 168) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0029674 k( 169) = ( 0.1704546 0.1704545 0.1704545), wk = 0.0029674 k( 170) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029674 k( 171) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0029674 k( 172) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0029674 k( 173) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029674 k( 174) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029674 k( 175) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029674 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 177) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029674 k( 178) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029674 k( 179) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029674 k( 180) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029674 k( 181) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029674 k( 182) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029674 k( 183) = ( 0.3295455 0.3295454 0.3295455), wk = 0.0029674 k( 184) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029674 k( 185) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029674 k( 186) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029674 k( 187) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029674 k( 188) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029674 k( 189) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029674 k( 190) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029674 k( 191) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0029674 k( 192) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0029674 k( 193) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0029674 k( 194) = ( 0.4545455 0.4545454 0.4545455), wk = 0.0029674 k( 195) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0029674 k( 196) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0029674 k( 197) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0029674 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 200) = ( 0.5040323 0.4919355 0.5040323), wk = 0.0029674 k( 201) = ( 0.5080645 0.4838710 0.5080645), wk = 0.0029674 k( 202) = ( 0.5120968 0.4758064 0.5120968), wk = 0.0029674 k( 203) = ( 0.5161290 0.4677419 0.5161290), wk = 0.0029674 k( 204) = ( 0.5201613 0.4596774 0.5201613), wk = 0.0029674 k( 205) = ( 0.5241936 0.4516129 0.5241936), wk = 0.0029674 k( 206) = ( 0.5282258 0.4435484 0.5282258), wk = 0.0029674 k( 207) = ( 0.5322581 0.4354839 0.5322581), wk = 0.0029674 k( 208) = ( 0.5362903 0.4274193 0.5362903), wk = 0.0029674 k( 209) = ( 0.5403226 0.4193548 0.5403226), wk = 0.0029674 k( 210) = ( 0.5443548 0.4112903 0.5443548), wk = 0.0029674 k( 211) = ( 0.5483871 0.4032258 0.5483871), wk = 0.0029674 k( 212) = ( 0.5524193 0.3951613 0.5524193), wk = 0.0029674 k( 213) = ( 0.5564516 0.3870968 0.5564516), wk = 0.0029674 k( 214) = ( 0.5604839 0.3790323 0.5604839), wk = 0.0029674 k( 215) = ( 0.5645161 0.3709677 0.5645161), wk = 0.0029674 k( 216) = ( 0.5685484 0.3629032 0.5685484), wk = 0.0029674 k( 217) = ( 0.5725807 0.3548387 0.5725807), wk = 0.0029674 k( 218) = ( 0.5766129 0.3467742 0.5766129), wk = 0.0029674 k( 219) = ( 0.5806452 0.3387097 0.5806452), wk = 0.0029674 k( 220) = ( 0.5846774 0.3306452 0.5846774), wk = 0.0029674 k( 221) = ( 0.5887097 0.3225807 0.5887097), wk = 0.0029674 k( 222) = ( 0.5927419 0.3145161 0.5927419), wk = 0.0029674 k( 223) = ( 0.5967742 0.3064516 0.5967742), wk = 0.0029674 k( 224) = ( 0.6008064 0.2983871 0.6008064), wk = 0.0029674 k( 225) = ( 0.6048387 0.2903226 0.6048387), wk = 0.0029674 k( 226) = ( 0.6088710 0.2822581 0.6088710), wk = 0.0029674 k( 227) = ( 0.6129032 0.2741936 0.6129032), wk = 0.0029674 k( 228) = ( 0.6169355 0.2661290 0.6169355), wk = 0.0029674 k( 229) = ( 0.6209677 0.2580645 0.6209677), wk = 0.0029674 k( 230) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 231) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 232) = ( 0.6180556 0.2500000 0.6319444), wk = 0.0029674 k( 233) = ( 0.6111111 0.2500000 0.6388889), wk = 0.0029674 k( 234) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0029674 k( 235) = ( 0.5972222 0.2500000 0.6527778), wk = 0.0029674 k( 236) = ( 0.5902778 0.2500000 0.6597222), wk = 0.0029674 k( 237) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0029674 k( 238) = ( 0.5763889 0.2500000 0.6736111), wk = 0.0029674 k( 239) = ( 0.5694444 0.2500000 0.6805556), wk = 0.0029674 k( 240) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0029674 k( 241) = ( 0.5555556 0.2500000 0.6944444), wk = 0.0029674 k( 242) = ( 0.5486111 0.2500000 0.7013889), wk = 0.0029674 k( 243) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0029674 k( 244) = ( 0.5347222 0.2500000 0.7152778), wk = 0.0029674 k( 245) = ( 0.5277778 0.2500000 0.7222222), wk = 0.0029674 k( 246) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0029674 k( 247) = ( 0.5138889 0.2500000 0.7361111), wk = 0.0029674 k( 248) = ( 0.5069444 0.2500000 0.7430556), wk = 0.0029674 k( 249) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 250) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 251) = ( 0.5000000 0.2569444 0.7430556), wk = 0.0029674 k( 252) = ( 0.5000000 0.2638889 0.7361111), wk = 0.0029674 k( 253) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0029674 k( 254) = ( 0.5000000 0.2777778 0.7222222), wk = 0.0029674 k( 255) = ( 0.5000000 0.2847222 0.7152778), wk = 0.0029674 k( 256) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0029674 k( 257) = ( 0.5000000 0.2986111 0.7013889), wk = 0.0029674 k( 258) = ( 0.5000000 0.3055556 0.6944444), wk = 0.0029674 k( 259) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0029674 k( 260) = ( 0.5000000 0.3194444 0.6805556), wk = 0.0029674 k( 261) = ( 0.5000000 0.3263889 0.6736111), wk = 0.0029674 k( 262) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0029674 k( 263) = ( 0.5000000 0.3402778 0.6597222), wk = 0.0029674 k( 264) = ( 0.5000000 0.3472222 0.6527778), wk = 0.0029674 k( 265) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0029674 k( 266) = ( 0.5000000 0.3611111 0.6388889), wk = 0.0029674 k( 267) = ( 0.5000000 0.3680556 0.6319444), wk = 0.0029674 k( 268) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0029674 k( 269) = ( 0.5000000 0.3819444 0.6180556), wk = 0.0029674 k( 270) = ( 0.5000000 0.3888889 0.6111111), wk = 0.0029674 k( 271) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0029674 k( 272) = ( 0.5000000 0.4027778 0.5972222), wk = 0.0029674 k( 273) = ( 0.5000000 0.4097222 0.5902778), wk = 0.0029674 k( 274) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0029674 k( 275) = ( 0.5000000 0.4236111 0.5763889), wk = 0.0029674 k( 276) = ( 0.5000000 0.4305556 0.5694444), wk = 0.0029674 k( 277) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0029674 k( 278) = ( 0.5000000 0.4444444 0.5555556), wk = 0.0029674 k( 279) = ( 0.5000000 0.4513889 0.5486111), wk = 0.0029674 k( 280) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0029674 k( 281) = ( 0.5000000 0.4652778 0.5347222), wk = 0.0029674 k( 282) = ( 0.5000000 0.4722222 0.5277778), wk = 0.0029674 k( 283) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0029674 k( 284) = ( 0.5000000 0.4861111 0.5138889), wk = 0.0029674 k( 285) = ( 0.5000000 0.4930556 0.5069444), wk = 0.0029674 k( 286) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029674 k( 288) = ( 0.4959677 0.4959677 0.5080645), wk = 0.0029674 k( 289) = ( 0.4919355 0.4919355 0.5161290), wk = 0.0029674 k( 290) = ( 0.4879032 0.4879032 0.5241936), wk = 0.0029674 k( 291) = ( 0.4838710 0.4838710 0.5322581), wk = 0.0029674 k( 292) = ( 0.4798387 0.4798387 0.5403226), wk = 0.0029674 k( 293) = ( 0.4758064 0.4758064 0.5483871), wk = 0.0029674 k( 294) = ( 0.4717742 0.4717742 0.5564516), wk = 0.0029674 k( 295) = ( 0.4677419 0.4677419 0.5645161), wk = 0.0029674 k( 296) = ( 0.4637097 0.4637097 0.5725807), wk = 0.0029674 k( 297) = ( 0.4596774 0.4596774 0.5806452), wk = 0.0029674 k( 298) = ( 0.4556452 0.4556452 0.5887097), wk = 0.0029674 k( 299) = ( 0.4516129 0.4516129 0.5967742), wk = 0.0029674 k( 300) = ( 0.4475807 0.4475807 0.6048387), wk = 0.0029674 k( 301) = ( 0.4435484 0.4435484 0.6129032), wk = 0.0029674 k( 302) = ( 0.4395161 0.4395161 0.6209677), wk = 0.0029674 k( 303) = ( 0.4354839 0.4354839 0.6290323), wk = 0.0029674 k( 304) = ( 0.4314516 0.4314516 0.6370968), wk = 0.0029674 k( 305) = ( 0.4274193 0.4274193 0.6451613), wk = 0.0029674 k( 306) = ( 0.4233871 0.4233871 0.6532258), wk = 0.0029674 k( 307) = ( 0.4193548 0.4193548 0.6612903), wk = 0.0029674 k( 308) = ( 0.4153226 0.4153226 0.6693548), wk = 0.0029674 k( 309) = ( 0.4112903 0.4112903 0.6774193), wk = 0.0029674 k( 310) = ( 0.4072581 0.4072581 0.6854839), wk = 0.0029674 k( 311) = ( 0.4032258 0.4032258 0.6935484), wk = 0.0029674 k( 312) = ( 0.3991936 0.3991936 0.7016129), wk = 0.0029674 k( 313) = ( 0.3951613 0.3951613 0.7096774), wk = 0.0029674 k( 314) = ( 0.3911290 0.3911290 0.7177419), wk = 0.0029674 k( 315) = ( 0.3870968 0.3870968 0.7258064), wk = 0.0029674 k( 316) = ( 0.3830645 0.3830645 0.7338710), wk = 0.0029674 k( 317) = ( 0.3790323 0.3790323 0.7419355), wk = 0.0029674 k( 318) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 319) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0029674 k( 320) = ( 0.6180556 0.2361111 0.6180556), wk = 0.0029674 k( 321) = ( 0.6111111 0.2222222 0.6111111), wk = 0.0029674 k( 322) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0029674 k( 323) = ( 0.5972222 0.1944444 0.5972222), wk = 0.0029674 k( 324) = ( 0.5902778 0.1805556 0.5902778), wk = 0.0029674 k( 325) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0029674 k( 326) = ( 0.5763889 0.1527778 0.5763889), wk = 0.0029674 k( 327) = ( 0.5694444 0.1388889 0.5694444), wk = 0.0029674 k( 328) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0029674 k( 329) = ( 0.5555556 0.1111111 0.5555556), wk = 0.0029674 k( 330) = ( 0.5486111 0.0972222 0.5486111), wk = 0.0029674 k( 331) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0029674 k( 332) = ( 0.5347222 0.0694444 0.5347222), wk = 0.0029674 k( 333) = ( 0.5277778 0.0555556 0.5277778), wk = 0.0029674 k( 334) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0029674 k( 335) = ( 0.5138889 0.0277778 0.5138889), wk = 0.0029674 k( 336) = ( 0.5069444 0.0138889 0.5069444), wk = 0.0029674 k( 337) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029674 Dense grid: 112771 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 15089 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 112, 36) NL pseudopotentials 0.09 Mb ( 56, 102) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 3132) G-vector shells 0.01 Mb ( 695) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 112, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.11 Mb ( 102, 2, 36) The potential is recalculated from file : ./CdSbAu.save/charge-density.dat Starting wfc are 44 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.2 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.0 secs Computing kpt #: 9 total cpu time spent up to now is 7.4 secs Computing kpt #: 10 total cpu time spent up to now is 7.9 secs Computing kpt #: 11 total cpu time spent up to now is 8.3 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.2 secs Computing kpt #: 14 total cpu time spent up to now is 9.7 secs Computing kpt #: 15 total cpu time spent up to now is 10.2 secs Computing kpt #: 16 total cpu time spent up to now is 10.8 secs Computing kpt #: 17 total cpu time spent up to now is 11.3 secs Computing kpt #: 18 total cpu time spent up to now is 11.9 secs Computing kpt #: 19 total cpu time spent up to now is 12.4 secs Computing kpt #: 20 total cpu time spent up to now is 12.9 secs Computing kpt #: 21 total cpu time spent up to now is 13.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.9 secs Computing kpt #: 23 total cpu time spent up to now is 14.4 secs Computing kpt #: 24 total cpu time spent up to now is 14.9 secs Computing kpt #: 25 total cpu time spent up to now is 15.2 secs Computing kpt #: 26 total cpu time spent up to now is 16.0 secs Computing kpt #: 27 total cpu time spent up to now is 16.4 secs Computing kpt #: 28 total cpu time spent up to now is 16.8 secs Computing kpt #: 29 total cpu time spent up to now is 17.2 secs Computing kpt #: 30 total cpu time spent up to now is 17.6 secs Computing kpt #: 31 total cpu time spent up to now is 18.0 secs Computing kpt #: 32 total cpu time spent up to now is 18.4 secs Computing kpt #: 33 total cpu time spent up to now is 18.9 secs Computing kpt #: 34 total cpu time spent up to now is 19.3 secs Computing kpt #: 35 total cpu time spent up to now is 19.7 secs Computing kpt #: 36 total cpu time spent up to now is 20.1 secs Computing kpt #: 37 total cpu time spent up to now is 20.6 secs Computing kpt #: 38 total cpu time spent up to now is 21.0 secs Computing kpt #: 39 total cpu time spent up to now is 21.4 secs Computing kpt #: 40 total cpu time spent up to now is 21.9 secs Computing kpt #: 41 total cpu time spent up to now is 22.3 secs Computing kpt #: 42 total cpu time spent up to now is 22.8 secs Computing kpt #: 43 total cpu time spent up to now is 23.2 secs Computing kpt #: 44 total cpu time spent up to now is 23.7 secs Computing kpt #: 45 total cpu time spent up to now is 24.2 secs Computing kpt #: 46 total cpu time spent up to now is 24.7 secs Computing kpt #: 47 total cpu time spent up to now is 25.1 secs Computing kpt #: 48 total cpu time spent up to now is 25.6 secs Computing kpt #: 49 total cpu time spent up to now is 26.1 secs Computing kpt #: 50 total cpu time spent up to now is 26.6 secs Computing kpt #: 51 total cpu time spent up to now is 27.1 secs Computing kpt #: 52 total cpu time spent up to now is 27.6 secs Computing kpt #: 53 total cpu time spent up to now is 28.1 secs Computing kpt #: 54 total cpu time spent up to now is 28.6 secs Computing kpt #: 55 total cpu time spent up to now is 29.1 secs Computing kpt #: 56 total cpu time spent up to now is 29.5 secs Computing kpt #: 57 total cpu time spent up to now is 30.0 secs Computing kpt #: 58 total cpu time spent up to now is 30.5 secs Computing kpt #: 59 total cpu time spent up to now is 30.9 secs Computing kpt #: 60 total cpu time spent up to now is 31.4 secs Computing kpt #: 61 total cpu time spent up to now is 31.8 secs Computing kpt #: 62 total cpu time spent up to now is 32.3 secs Computing kpt #: 63 total cpu time spent up to now is 32.7 secs Computing kpt #: 64 total cpu time spent up to now is 33.1 secs Computing kpt #: 65 total cpu time spent up to now is 33.5 secs Computing kpt #: 66 total cpu time spent up to now is 33.9 secs Computing kpt #: 67 total cpu time spent up to now is 34.3 secs Computing kpt #: 68 total cpu time spent up to now is 34.7 secs Computing kpt #: 69 total cpu time spent up to now is 35.2 secs Computing kpt #: 70 total cpu time spent up to now is 35.6 secs Computing kpt #: 71 total cpu time spent up to now is 36.0 secs Computing kpt #: 72 total cpu time spent up to now is 36.4 secs Computing kpt #: 73 total cpu time spent up to now is 36.8 secs Computing kpt #: 74 total cpu time spent up to now is 37.1 secs Computing kpt #: 75 total cpu time spent up to now is 37.5 secs Computing kpt #: 76 total cpu time spent up to now is 37.9 secs Computing kpt #: 77 total cpu time spent up to now is 38.3 secs Computing kpt #: 78 total cpu time spent up to now is 38.7 secs Computing kpt #: 79 total cpu time spent up to now is 39.1 secs Computing kpt #: 80 total cpu time spent up to now is 39.5 secs Computing kpt #: 81 total cpu time spent up to now is 39.9 secs Computing kpt #: 82 total cpu time spent up to now is 40.3 secs Computing kpt #: 83 total cpu time spent up to now is 40.7 secs Computing kpt #: 84 total cpu time spent up to now is 41.1 secs Computing kpt #: 85 total cpu time spent up to now is 41.5 secs Computing kpt #: 86 total cpu time spent up to now is 41.9 secs Computing kpt #: 87 total cpu time spent up to now is 42.3 secs Computing kpt #: 88 total cpu time spent up to now is 42.8 secs Computing kpt #: 89 total cpu time spent up to now is 43.2 secs Computing kpt #: 90 total cpu time spent up to now is 43.6 secs Computing kpt #: 91 total cpu time spent up to now is 44.0 secs Computing kpt #: 92 total cpu time spent up to now is 44.5 secs Computing kpt #: 93 total cpu time spent up to now is 44.9 secs Computing kpt #: 94 total cpu time spent up to now is 45.4 secs Computing kpt #: 95 total cpu time spent up to now is 45.9 secs Computing kpt #: 96 total cpu time spent up to now is 46.3 secs Computing kpt #: 97 total cpu time spent up to now is 46.8 secs Computing kpt #: 98 total cpu time spent up to now is 47.2 secs Computing kpt #: 99 total cpu time spent up to now is 47.7 secs Computing kpt #: 100 total cpu 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54.1 secs Computing kpt #: 116 total cpu time spent up to now is 54.5 secs Computing kpt #: 117 total cpu time spent up to now is 54.9 secs Computing kpt #: 118 total cpu time spent up to now is 55.3 secs Computing kpt #: 119 total cpu time spent up to now is 55.7 secs Computing kpt #: 120 total cpu time spent up to now is 56.1 secs Computing kpt #: 121 total cpu time spent up to now is 56.5 secs Computing kpt #: 122 total cpu time spent up to now is 56.9 secs Computing kpt #: 123 total cpu time spent up to now is 57.3 secs Computing kpt #: 124 total cpu time spent up to now is 57.7 secs Computing kpt #: 125 total cpu time spent up to now is 58.1 secs Computing kpt #: 126 total cpu time spent up to now is 58.5 secs Computing kpt #: 127 total cpu time spent up to now is 58.9 secs Computing kpt #: 128 total cpu time spent up to now is 59.3 secs Computing kpt #: 129 total cpu time spent up to now is 59.7 secs Computing kpt #: 130 total cpu time spent up to now is 60.1 secs Computing kpt #: 131 total cpu time spent up to now is 60.5 secs Computing kpt #: 132 total cpu time spent up to now is 60.9 secs Computing kpt #: 133 total cpu time spent up to now is 61.3 secs Computing kpt #: 134 total cpu time spent up to now is 61.7 secs Computing kpt #: 135 total cpu time spent up to now is 62.1 secs Computing kpt #: 136 total cpu time spent up to now is 62.5 secs Computing kpt #: 137 total cpu time spent up to now is 62.9 secs Computing kpt #: 138 total cpu time spent up to now is 63.3 secs Computing kpt #: 139 total cpu time spent up to now is 63.7 secs Computing kpt #: 140 total cpu time spent up to now is 64.2 secs Computing kpt #: 141 total cpu time spent up to now is 64.6 secs Computing kpt #: 142 total cpu time spent up to now is 65.0 secs Computing kpt #: 143 total cpu time spent up to now is 65.4 secs Computing kpt #: 144 total cpu time spent up to now is 65.9 secs Computing kpt #: 145 total cpu time spent up to now is 66.3 secs Computing kpt #: 146 total cpu time spent up to now is 66.9 secs Computing kpt #: 147 total cpu time spent up to now is 67.3 secs Computing kpt #: 148 total cpu time spent up to now is 67.8 secs Computing kpt #: 149 total cpu time spent up to now is 68.3 secs Computing kpt #: 150 total cpu time spent up to now is 68.7 secs Computing kpt #: 151 total cpu time spent up to now is 69.2 secs Computing kpt #: 152 total cpu time spent up to now is 69.7 secs Computing kpt #: 153 total cpu time spent up to now is 70.2 secs Computing kpt #: 154 total cpu time spent up to now is 70.7 secs Computing kpt #: 155 total cpu time spent up to now is 71.1 secs Computing kpt #: 156 total cpu time spent up to now is 71.6 secs Computing kpt #: 157 total cpu time spent up to now is 72.1 secs Computing kpt #: 158 total cpu time spent up to now is 72.5 secs Computing kpt #: 159 total cpu time spent up to now is 73.0 secs Computing kpt #: 160 total cpu time spent up to now is 73.4 secs Computing kpt #: 161 total cpu time spent up to now is 73.9 secs Computing kpt #: 162 total cpu time spent up to now is 74.3 secs Computing kpt #: 163 total cpu time spent up to now is 74.7 secs Computing kpt #: 164 total cpu time spent up to now is 75.1 secs Computing kpt #: 165 total cpu time spent up to now is 75.4 secs Computing kpt #: 166 total cpu time spent up to now is 75.8 secs Computing kpt #: 167 total cpu time spent up to now is 76.2 secs Computing kpt #: 168 total cpu time spent up to now is 76.6 secs Computing kpt #: 169 total cpu time spent up to now is 77.0 secs Computing kpt #: 170 total cpu time spent up to now is 77.4 secs Computing kpt #: 171 total cpu time spent up to now is 77.8 secs Computing kpt #: 172 total cpu time spent up to now is 78.2 secs Computing kpt #: 173 total cpu time spent up to now is 78.6 secs Computing kpt #: 174 total cpu time spent up to now is 78.9 secs Computing kpt #: 175 total cpu time spent up to now is 79.3 secs Computing kpt #: 176 total cpu time spent up to now is 79.7 secs Computing kpt #: 177 total cpu time spent up to now is 80.1 secs Computing kpt #: 178 total cpu time spent up to now is 80.5 secs Computing kpt #: 179 total cpu time spent up to now is 80.9 secs Computing kpt #: 180 total cpu time spent up to now is 81.3 secs Computing kpt #: 181 total cpu time spent up to now is 81.7 secs Computing kpt #: 182 total cpu time spent up to now is 82.1 secs Computing kpt #: 183 total cpu time spent up to now is 82.5 secs Computing kpt #: 184 total cpu time spent up to now is 82.9 secs Computing kpt #: 185 total cpu time spent up to now is 83.2 secs Computing kpt #: 186 total cpu time spent up to now is 83.6 secs Computing kpt #: 187 total cpu time spent up to now is 84.0 secs Computing kpt #: 188 total cpu time spent up to now is 84.3 secs Computing kpt #: 189 total cpu time spent up to now is 84.7 secs Computing kpt #: 190 total cpu time spent up to now is 85.1 secs Computing kpt #: 191 total cpu time spent up to now is 85.4 secs Computing kpt #: 192 total cpu time spent up to now is 85.8 secs Computing kpt #: 193 total cpu time spent up to now is 86.1 secs Computing kpt #: 194 total cpu time spent up to now is 86.5 secs Computing kpt #: 195 total cpu time spent up to now is 86.9 secs Computing kpt #: 196 total cpu time spent up to now is 87.2 secs Computing kpt #: 197 total cpu time spent up to now is 87.6 secs Computing kpt #: 198 total cpu time spent up to now is 87.9 secs Computing kpt #: 199 total cpu time spent up to now is 88.3 secs Computing kpt #: 200 total cpu time spent up to now is 88.6 secs Computing kpt #: 201 total cpu time spent up to now is 89.0 secs Computing kpt #: 202 total cpu time spent up to now is 89.3 secs Computing kpt #: 203 total cpu time spent up to now is 89.7 secs Computing kpt #: 204 total cpu time spent up to now is 90.0 secs Computing kpt #: 205 total cpu time spent up to now is 90.4 secs Computing kpt #: 206 total cpu time spent up to now is 90.7 secs Computing kpt #: 207 total cpu time spent up to now is 91.1 secs Computing kpt #: 208 total cpu time spent up to now is 91.5 secs Computing kpt #: 209 total cpu time spent up to now is 91.8 secs Computing kpt #: 210 total cpu time spent up to now is 92.2 secs Computing kpt #: 211 total cpu time spent up to now is 92.6 secs Computing kpt #: 212 total cpu time spent up to now is 92.9 secs Computing kpt #: 213 total cpu time spent up to now is 93.3 secs Computing kpt #: 214 total cpu time spent up to now is 93.8 secs Computing kpt #: 215 total cpu time spent up to now is 94.2 secs Computing kpt #: 216 total cpu time spent up to now is 94.6 secs Computing kpt #: 217 total cpu time spent up to now is 95.1 secs Computing kpt #: 218 total cpu time spent up to now is 95.5 secs Computing kpt #: 219 total cpu time spent up to now is 95.9 secs Computing kpt #: 220 total cpu time spent up to now is 96.3 secs Computing kpt #: 221 total cpu time spent up to now is 96.7 secs Computing kpt #: 222 total cpu time spent up to now is 97.1 secs Computing kpt #: 223 total cpu time spent up to now is 97.6 secs Computing kpt #: 224 total cpu time spent up to now is 98.0 secs Computing kpt #: 225 total cpu time spent up to now is 98.5 secs Computing kpt #: 226 total cpu time spent up to now is 98.9 secs Computing kpt #: 227 total cpu time spent up to now is 99.3 secs Computing kpt #: 228 total cpu time spent up to now is 99.8 secs Computing kpt #: 229 total cpu time spent up to now is 100.3 secs Computing kpt #: 230 total cpu time spent up to now is 100.7 secs Computing kpt #: 231 total cpu time spent up to now is 101.1 secs Computing kpt #: 232 total cpu time spent up to now is 101.6 secs Computing kpt #: 233 total cpu time spent up to now is 102.0 secs Computing kpt #: 234 total cpu time spent up to now is 102.5 secs Computing kpt #: 235 total cpu time spent up to now is 103.0 secs Computing kpt #: 236 total cpu time spent up to now is 103.4 secs Computing kpt #: 237 total cpu time spent up to now is 103.9 secs Computing kpt #: 238 total cpu time spent up to now is 104.3 secs Computing kpt #: 239 total cpu time spent up to now is 104.7 secs Computing kpt #: 240 total cpu time spent up to now is 105.1 secs Computing kpt #: 241 total cpu time spent up to now is 105.5 secs Computing kpt #: 242 total cpu time spent up to now is 105.9 secs Computing kpt #: 243 total cpu time spent up to now is 106.3 secs Computing kpt #: 244 total cpu time spent up to now is 106.6 secs Computing kpt #: 245 total cpu time spent up to now is 107.0 secs Computing kpt #: 246 total cpu time spent up to now is 107.4 secs Computing kpt #: 247 total cpu time spent up to now is 107.8 secs Computing kpt #: 248 total cpu time spent up to now is 108.2 secs Computing kpt #: 249 total cpu time spent up to now is 108.5 secs Computing kpt #: 250 total cpu time spent up to now is 108.9 secs Computing kpt #: 251 total cpu time spent up to now is 109.3 secs Computing kpt #: 252 total cpu time spent up to now is 109.7 secs Computing kpt #: 253 total cpu time spent up to now is 110.1 secs Computing kpt #: 254 total cpu time spent up to now is 110.5 secs Computing kpt #: 255 total cpu time spent up to now is 110.9 secs Computing kpt #: 256 total cpu time spent up to now is 111.4 secs Computing kpt #: 257 total cpu time spent up to now is 111.8 secs Computing kpt #: 258 total cpu time spent up to now is 112.2 secs Computing kpt #: 259 total cpu time spent up to now is 112.6 secs Computing kpt #: 260 total cpu time spent up to now is 113.0 secs Computing kpt #: 261 total cpu time spent up to now is 113.5 secs Computing kpt #: 262 total cpu time spent up to now is 113.9 secs Computing kpt #: 263 total cpu time spent up to now is 114.3 secs Computing kpt #: 264 total cpu time spent up to now is 114.8 secs Computing kpt #: 265 total cpu time spent up to now is 115.3 secs Computing kpt #: 266 total cpu time spent up to now is 115.8 secs Computing kpt #: 267 total cpu time spent up to now is 116.3 secs Computing kpt #: 268 total cpu time spent up to now is 116.7 secs Computing kpt #: 269 total cpu time spent up to now is 117.1 secs Computing kpt #: 270 total cpu time spent up to now is 117.5 secs Computing kpt #: 271 total cpu time spent up to now is 117.9 secs Computing kpt #: 272 total cpu time spent up to now is 118.3 secs Computing kpt #: 273 total cpu time spent up to now is 118.7 secs Computing kpt #: 274 total cpu time spent up to now is 119.1 secs Computing kpt #: 275 total cpu time spent up to now is 119.5 secs Computing kpt #: 276 total cpu time spent up to now is 119.8 secs Computing kpt #: 277 total cpu time spent up to now is 120.2 secs Computing kpt #: 278 total cpu time spent up to now is 120.6 secs Computing kpt #: 279 total cpu time spent up to now is 120.9 secs Computing kpt #: 280 total cpu time spent up to now is 121.3 secs Computing kpt #: 281 total cpu time spent up to now is 121.6 secs Computing kpt #: 282 total cpu time spent up to now is 122.0 secs Computing kpt #: 283 total cpu time spent up to now is 122.3 secs Computing kpt #: 284 total cpu time spent up to now is 122.7 secs Computing kpt #: 285 total cpu time spent up to now is 123.0 secs Computing kpt #: 286 total cpu time spent up to now is 123.4 secs Computing kpt #: 287 total cpu time spent up to now is 123.7 secs Computing kpt #: 288 total cpu time spent up to now is 124.1 secs Computing kpt #: 289 total cpu time spent up to now is 124.4 secs Computing kpt #: 290 total cpu time spent up to now is 124.8 secs Computing kpt #: 291 total cpu time spent up to now is 125.1 secs Computing kpt #: 292 total cpu time spent up to now is 125.5 secs Computing kpt #: 293 total cpu time spent up to now is 125.8 secs Computing kpt #: 294 total cpu time spent up to now is 126.2 secs Computing kpt #: 295 total cpu time spent up to now is 126.6 secs Computing kpt #: 296 total cpu time spent up to now is 126.9 secs Computing kpt #: 297 total cpu time spent up to now is 127.3 secs Computing kpt #: 298 total cpu time spent up to now is 127.6 secs Computing kpt #: 299 total cpu time spent up to now is 128.0 secs Computing kpt #: 300 total cpu time spent up to now is 128.4 secs Computing kpt #: 301 total cpu time spent up to now is 128.8 secs Computing kpt #: 302 total cpu time spent up to now is 129.2 secs Computing kpt #: 303 total cpu time spent up to now is 129.6 secs Computing kpt #: 304 total cpu time spent up to now is 130.1 secs Computing kpt #: 305 total cpu time spent up to now is 130.5 secs Computing kpt #: 306 total cpu time spent up to now is 130.9 secs Computing kpt #: 307 total cpu time spent up to now is 131.3 secs Computing kpt #: 308 total cpu time spent up to now is 131.7 secs Computing kpt #: 309 total cpu time spent up to now is 132.1 secs Computing kpt #: 310 total cpu time spent up to now is 132.6 secs Computing kpt #: 311 total cpu time spent up to now is 133.0 secs Computing kpt #: 312 total cpu time spent up to now is 133.5 secs Computing kpt #: 313 total cpu time spent up to now is 133.9 secs Computing kpt #: 314 total cpu time spent up to now is 134.3 secs Computing kpt #: 315 total cpu time spent up to now is 134.8 secs Computing kpt #: 316 total cpu time spent up to now is 135.2 secs Computing kpt #: 317 total cpu time spent up to now is 135.6 secs Computing kpt #: 318 total cpu time spent up to now is 136.1 secs Computing kpt #: 319 total cpu time spent up to now is 136.5 secs Computing kpt #: 320 total cpu time spent up to now is 136.9 secs Computing kpt #: 321 total cpu time spent up to now is 137.4 secs Computing kpt #: 322 total cpu time spent up to now is 137.9 secs Computing kpt #: 323 total cpu time spent up to now is 138.3 secs Computing kpt #: 324 total cpu time spent up to now is 138.7 secs Computing kpt #: 325 total cpu time spent up to now is 139.1 secs Computing kpt #: 326 total cpu time spent up to now is 139.6 secs Computing kpt #: 327 total cpu time spent up to now is 140.0 secs Computing kpt #: 328 total cpu time spent up to now is 140.5 secs Computing kpt #: 329 total cpu time spent up to now is 141.1 secs Computing kpt #: 330 total cpu time spent up to now is 141.7 secs Computing kpt #: 331 total cpu time spent up to now is 142.3 secs Computing kpt #: 332 total cpu time spent up to now is 142.8 secs Computing kpt #: 333 total cpu time spent up to now is 143.2 secs Computing kpt #: 334 total cpu time spent up to now is 143.7 secs Computing kpt #: 335 total cpu time spent up to now is 144.1 secs Computing kpt #: 336 total cpu time spent up to now is 144.6 secs Computing kpt #: 337 total cpu time spent up to now is 145.1 secs ethr = 3.57E-08, avg # of iterations = 22.4 total cpu time spent up to now is 145.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): 0.1230 0.1230 2.9836 2.9836 2.9836 2.9836 3.5537 3.5537 3.5537 3.5537 3.5842 3.5842 5.6960 5.6960 5.6960 5.6960 6.3376 6.3376 7.6534 7.6534 7.6534 7.6534 11.3686 11.3686 13.5466 13.5466 14.0423 14.0423 14.0423 14.0423 15.6436 15.6436 16.9091 16.9091 16.9091 16.9091 k = 0.0098-0.0057 0.0080 ( 1917 PWs) bands (ev): 0.1244 0.1244 2.9812 2.9812 2.9859 2.9859 3.5485 3.5485 3.5582 3.5582 3.5849 3.5849 5.6914 5.6914 5.7004 5.7004 6.3375 6.3375 7.6519 7.6519 7.6541 7.6541 11.3677 11.3677 13.5429 13.5429 14.0310 14.0310 14.0444 14.0444 15.6464 15.6464 16.8817 16.8817 16.9107 16.9107 k = 0.0196-0.0113 0.0160 ( 1913 PWs) bands (ev): 0.1285 0.1285 2.9788 2.9788 2.9881 2.9881 3.5427 3.5427 3.5618 3.5618 3.5869 3.5869 5.6864 5.6864 5.7048 5.7048 6.3371 6.3371 7.6498 7.6498 7.6540 7.6540 11.3650 11.3650 13.5312 13.5312 14.0015 14.0015 14.0470 14.0470 15.6537 15.6537 16.8143 16.8143 16.9155 16.9155 k = 0.0294-0.0170 0.0240 ( 1913 PWs) bands (ev): 0.1352 0.1352 2.9762 2.9762 2.9902 2.9902 3.5366 3.5366 3.5647 3.5647 3.5900 3.5900 5.6809 5.6809 5.7090 5.7090 6.3365 6.3365 7.6469 7.6469 7.6530 7.6530 11.3605 11.3605 13.5105 13.5105 13.9545 13.9545 14.0525 14.0525 15.6617 15.6617 16.7319 16.7319 16.9239 16.9239 k = 0.0392-0.0226 0.0320 ( 1905 PWs) bands (ev): 0.1447 0.1447 2.9736 2.9736 2.9922 2.9922 3.5302 3.5302 3.5672 3.5672 3.5938 3.5938 5.6750 5.6750 5.7134 5.7134 6.3357 6.3357 7.6435 7.6435 7.6512 7.6512 11.3542 11.3542 13.4795 13.4795 13.8921 13.8921 14.0621 14.0621 15.6645 15.6645 16.6526 16.6526 16.9361 16.9361 k = 0.0490-0.0283 0.0400 ( 1905 PWs) bands (ev): 0.1569 0.1569 2.9709 2.9709 2.9941 2.9941 3.5236 3.5236 3.5693 3.5693 3.5979 3.5979 5.6684 5.6684 5.7180 5.7180 6.3350 6.3350 7.6395 7.6395 7.6485 7.6485 11.3459 11.3459 13.4370 13.4370 13.8169 13.8169 14.0766 14.0766 15.6551 15.6551 16.5884 16.5884 16.9526 16.9526 k = 0.0588-0.0340 0.0480 ( 1901 PWs) bands (ev): 0.1717 0.1717 2.9681 2.9681 2.9958 2.9958 3.5170 3.5170 3.5714 3.5714 3.6020 3.6020 5.6612 5.6612 5.7229 5.7229 6.3343 6.3343 7.6349 7.6349 7.6449 7.6449 11.3358 11.3358 13.3828 13.3828 13.7312 13.7312 14.0960 14.0960 15.6273 15.6273 16.5476 16.5476 16.9739 16.9739 k = 0.0686-0.0396 0.0560 ( 1897 PWs) bands (ev): 0.1891 0.1891 2.9652 2.9652 2.9975 2.9975 3.5105 3.5105 3.5735 3.5735 3.6061 3.6061 5.6533 5.6533 5.7281 5.7281 6.3339 6.3339 7.6298 7.6298 7.6405 7.6405 11.3236 11.3236 13.3170 13.3170 13.6372 13.6372 14.1192 14.1192 15.5788 15.5788 16.5337 16.5337 17.0002 17.0002 k = 0.0784-0.0453 0.0640 ( 1893 PWs) bands (ev): 0.2091 0.2091 2.9623 2.9623 2.9991 2.9991 3.5039 3.5039 3.5757 3.5757 3.6098 3.6098 5.6448 5.6448 5.7337 5.7337 6.3338 6.3338 7.6241 7.6241 7.6353 7.6353 11.3094 11.3094 13.2404 13.2404 13.5366 13.5366 14.1441 14.1441 15.5125 15.5125 16.5450 16.5450 17.0320 17.0320 k = 0.0882-0.0509 0.0720 ( 1901 PWs) bands (ev): 0.2316 0.2316 2.9593 2.9593 3.0004 3.0004 3.4975 3.4975 3.5778 3.5778 3.6132 3.6132 5.6355 5.6355 5.7397 5.7397 6.3342 6.3342 7.6177 7.6177 7.6295 7.6295 11.2928 11.2928 13.1542 13.1542 13.4309 13.4309 14.1673 14.1673 15.4355 15.4355 16.5768 16.5768 17.0693 17.0693 k = 0.0980-0.0566 0.0800 ( 1900 PWs) bands (ev): 0.2566 0.2566 2.9564 2.9564 3.0017 3.0017 3.4913 3.4913 3.5802 3.5802 3.6163 3.6163 5.6257 5.6257 5.7463 5.7463 6.3352 6.3352 7.6106 7.6106 7.6233 7.6233 11.2737 11.2737 13.0595 13.0595 13.3212 13.3212 14.1845 14.1845 15.3561 15.3561 16.6237 16.6237 17.1122 17.1122 k = 0.1078-0.0623 0.0881 ( 1900 PWs) bands (ev): 0.2840 0.2840 2.9534 2.9534 3.0028 3.0028 3.4853 3.4853 3.5826 3.5826 3.6190 3.6190 5.6153 5.6153 5.7535 5.7535 6.3371 6.3371 7.6024 7.6024 7.6168 7.6168 11.2519 11.2519 12.9578 12.9578 13.2081 13.2081 14.1899 14.1899 15.2831 15.2831 16.6815 16.6815 17.1608 17.1608 k = 0.1176-0.0679 0.0961 ( 1900 PWs) bands (ev): 0.3138 0.3138 2.9505 2.9505 3.0038 3.0038 3.4796 3.4796 3.5850 3.5850 3.6213 3.6213 5.6045 5.6045 5.7613 5.7613 6.3398 6.3398 7.5932 7.5932 7.6104 7.6104 11.2271 11.2271 12.8502 12.8502 13.0925 13.0925 14.1774 14.1774 15.2246 15.2246 16.7471 16.7471 17.2146 17.2146 k = 0.1275-0.0736 0.1041 ( 1900 PWs) bands (ev): 0.3458 0.3458 2.9478 2.9478 3.0046 3.0046 3.4742 3.4742 3.5875 3.5875 3.6233 3.6233 5.5933 5.5933 5.7696 5.7696 6.3435 6.3435 7.5828 7.5828 7.6041 7.6041 11.1988 11.1988 12.7381 12.7381 12.9746 12.9746 14.1422 14.1422 15.1862 15.1862 16.8185 16.8185 17.2729 17.2729 k = 0.1373-0.0792 0.1121 ( 1900 PWs) bands (ev): 0.3800 0.3800 2.9452 2.9452 3.0052 3.0052 3.4691 3.4691 3.5898 3.5898 3.6250 3.6250 5.5819 5.5819 5.7787 5.7787 6.3483 6.3483 7.5713 7.5713 7.5979 7.5979 11.1666 11.1666 12.6224 12.6224 12.8549 12.8549 14.0829 14.0829 15.1698 15.1698 16.8945 16.8945 17.3301 17.3301 k = 0.1471-0.0849 0.1201 ( 1892 PWs) bands (ev): 0.4163 0.4163 2.9429 2.9429 3.0057 3.0057 3.4645 3.4645 3.5920 3.5920 3.6266 3.6266 5.5704 5.5704 5.7884 5.7884 6.3543 6.3543 7.5587 7.5587 7.5918 7.5918 11.1300 11.1300 12.5043 12.5043 12.7337 12.7337 14.0020 14.0020 15.1725 15.1725 16.9742 16.9742 17.3358 17.3358 k = 0.1569-0.0906 0.1281 ( 1908 PWs) bands (ev): 0.4545 0.4545 2.9407 2.9407 3.0058 3.0058 3.4602 3.4602 3.5936 3.5936 3.6279 3.6279 5.5589 5.5589 5.7988 5.7988 6.3615 6.3615 7.5451 7.5451 7.5859 7.5859 11.0884 11.0884 12.3845 12.3845 12.6111 12.6111 13.9044 13.9044 15.1886 15.1886 17.0572 17.0572 17.2966 17.2966 k = 0.1667-0.0962 0.1361 ( 1908 PWs) bands (ev): 0.4946 0.4946 2.9390 2.9390 3.0058 3.0058 3.4564 3.4564 3.5948 3.5948 3.6295 3.6295 5.5475 5.5475 5.8099 5.8099 6.3700 6.3700 7.5307 7.5307 7.5801 7.5801 11.0412 11.0412 12.2638 12.2638 12.4876 12.4876 13.7957 13.7957 15.2121 15.2121 17.1426 17.1426 17.2686 17.2686 k = 0.1765-0.1019 0.1441 ( 1908 PWs) bands (ev): 0.5363 0.5363 2.9379 2.9379 3.0057 3.0057 3.4532 3.4532 3.5954 3.5954 3.6314 3.6314 5.5365 5.5365 5.8217 5.8217 6.3797 6.3797 7.5153 7.5153 7.5745 7.5745 10.9877 10.9877 12.1430 12.1430 12.3633 12.3633 13.6808 13.6808 15.2373 15.2373 17.2239 17.2239 17.2653 17.2653 k = 0.1863-0.1075 0.1521 ( 1916 PWs) bands (ev): 0.5796 0.5796 2.9372 2.9372 3.0052 3.0052 3.4505 3.4505 3.5950 3.5950 3.6336 3.6336 5.5258 5.5258 5.8342 5.8342 6.3907 6.3907 7.4992 7.4992 7.5691 7.5691 10.9273 10.9273 12.0226 12.0226 12.2385 12.2385 13.5636 13.5636 15.2601 15.2601 17.2562 17.2562 17.3334 17.3334 k = 0.1961-0.1132 0.1601 ( 1916 PWs) bands (ev): 0.6241 0.6241 2.9374 2.9374 3.0047 3.0047 3.4485 3.4485 3.5940 3.5940 3.6363 3.6363 5.5157 5.5157 5.8474 5.8474 6.4029 6.4029 7.4823 7.4823 7.5640 7.5640 10.8593 10.8593 11.9031 11.9031 12.1134 12.1134 13.4470 13.4470 15.2774 15.2774 17.2856 17.2856 17.4279 17.4279 k = 0.2059-0.1189 0.1681 ( 1916 PWs) bands (ev): 0.6698 0.6698 2.9384 2.9384 3.0039 3.0039 3.4472 3.4472 3.5922 3.5922 3.6394 3.6394 5.5061 5.5061 5.8612 5.8612 6.4163 6.4163 7.4648 7.4648 7.5591 7.5591 10.7833 10.7833 11.7848 11.7848 11.9881 11.9881 13.3334 13.3334 15.2879 15.2879 17.3331 17.3331 17.5275 17.5275 k = 0.2157-0.1245 0.1761 ( 1904 PWs) bands (ev): 0.7165 0.7165 2.9404 2.9404 3.0029 3.0029 3.4468 3.4468 3.5898 3.5898 3.6430 3.6430 5.4973 5.4973 5.8757 5.8757 6.4309 6.4309 7.4467 7.4467 7.5545 7.5545 10.6991 10.6991 11.6680 11.6680 11.8631 11.8631 13.2248 13.2248 15.2908 15.2908 17.3987 17.3987 17.6313 17.6313 k = 0.2255-0.1302 0.1841 ( 1904 PWs) bands (ev): 0.7638 0.7638 2.9433 2.9433 3.0018 3.0018 3.4472 3.4472 3.5867 3.5867 3.6469 3.6469 5.4891 5.4891 5.8907 5.8907 6.4466 6.4466 7.4280 7.4280 7.5503 7.5503 10.6066 10.6066 11.5526 11.5526 11.7383 11.7383 13.1224 13.1224 15.2865 15.2865 17.4810 17.4810 17.7392 17.7392 k = 0.2353-0.1358 0.1921 ( 1912 PWs) bands (ev): 0.8115 0.8115 2.9473 2.9473 3.0005 3.0005 3.4485 3.4485 3.5830 3.5830 3.6510 3.6510 5.4817 5.4817 5.9063 5.9063 6.4632 6.4632 7.4089 7.4089 7.5464 7.5464 10.5061 10.5061 11.4386 11.4386 11.6140 11.6140 13.0272 13.0272 15.2760 15.2760 17.5777 17.5778 17.8514 17.8514 k = 0.2451-0.1415 0.2001 ( 1924 PWs) bands (ev): 0.8593 0.8593 2.9524 2.9524 2.9993 2.9993 3.4509 3.4509 3.5790 3.5790 3.6553 3.6553 5.4751 5.4751 5.9223 5.9223 6.4808 6.4808 7.3894 7.3894 7.5430 7.5430 10.3982 10.3982 11.3260 11.3260 11.4905 11.4905 12.9399 12.9399 15.2603 15.2603 17.6867 17.6867 17.9681 17.9681 k = 0.2549-0.1472 0.2081 ( 1924 PWs) bands (ev): 0.9070 0.9070 2.9584 2.9584 2.9986 2.9986 3.4548 3.4548 3.5747 3.5747 3.6598 3.6598 5.4692 5.4692 5.9387 5.9387 6.4991 6.4991 7.3696 7.3696 7.5400 7.5400 10.2838 10.2838 11.2145 11.2145 11.3679 11.3679 12.8607 12.8607 15.2406 15.2406 17.8053 17.8053 18.0898 18.0898 k = 0.2647-0.1528 0.2161 ( 1916 PWs) bands (ev): 0.9543 0.9543 2.9647 2.9647 2.9990 2.9990 3.4603 3.4603 3.5703 3.5703 3.6645 3.6645 5.4641 5.4641 5.9553 5.9553 6.5180 6.5180 7.3497 7.3497 7.5375 7.5375 10.1637 10.1637 11.1041 11.1041 11.2465 11.2465 12.7896 12.7896 15.2180 15.2180 17.9314 17.9314 18.2168 18.2168 k = 0.2745-0.1585 0.2241 ( 1912 PWs) bands (ev): 1.0007 1.0007 2.9700 2.9700 3.0018 3.0018 3.4676 3.4676 3.5658 3.5658 3.6693 3.6693 5.4596 5.4596 5.9720 5.9720 6.5373 6.5373 7.3297 7.3297 7.5356 7.5356 10.0392 10.0392 10.9947 10.9947 11.1264 11.1264 12.7262 12.7262 15.1935 15.1935 18.0626 18.0626 18.3494 18.3494 k = 0.2843-0.1641 0.2321 ( 1912 PWs) bands (ev): 1.0461 1.0461 2.9727 2.9727 3.0085 3.0085 3.4771 3.4771 3.5612 3.5612 3.6741 3.6741 5.4558 5.4558 5.9887 5.9887 6.5567 6.5567 7.3099 7.3099 7.5343 7.5343 9.9114 9.9114 10.8863 10.8863 11.0079 11.0079 12.6702 12.6702 15.1677 15.1677 18.1972 18.1972 18.4877 18.4877 k = 0.2941-0.1698 0.2401 ( 1912 PWs) bands (ev): 1.0900 1.0900 2.9728 2.9728 3.0190 3.0190 3.4892 3.4892 3.5565 3.5565 3.6790 3.6790 5.4524 5.4524 6.0052 6.0052 6.5759 6.5759 7.2904 7.2904 7.5337 7.5337 9.7815 9.7815 10.7790 10.7790 10.8913 10.8913 12.6210 12.6210 15.1415 15.1415 18.3337 18.3337 18.6317 18.6317 k = 0.3039-0.1755 0.2482 ( 1904 PWs) bands (ev): 1.1322 1.1322 2.9713 2.9713 3.0323 3.0323 3.5044 3.5044 3.5520 3.5520 3.6840 3.6840 5.4495 5.4495 6.0211 6.0211 6.5946 6.5946 7.2714 7.2714 7.5338 7.5338 9.6507 9.6507 10.6731 10.6731 10.7766 10.7766 12.5780 12.5780 15.1152 15.1152 18.4710 18.4710 18.7809 18.7809 k = 0.3137-0.1811 0.2562 ( 1900 PWs) bands (ev): 1.1724 1.1724 2.9689 2.9689 3.0472 3.0472 3.5233 3.5233 3.5475 3.5475 3.6891 3.6891 5.4469 5.4469 6.0363 6.0363 6.6123 6.6123 7.2532 7.2532 7.5348 7.5348 9.5203 9.5203 10.5688 10.5688 10.6642 10.6642 12.5405 12.5405 15.0893 15.0893 18.6086 18.6086 18.9347 18.9347 k = 0.3235-0.1868 0.2642 ( 1900 PWs) bands (ev): 1.2104 1.2104 2.9659 2.9659 3.0630 3.0630 3.5428 3.5428 3.5465 3.5465 3.6944 3.6944 5.4444 5.4444 6.0503 6.0503 6.6285 6.6285 7.2361 7.2361 7.5366 7.5366 9.3914 9.3914 10.4663 10.4663 10.5541 10.5541 12.5079 12.5079 15.0641 15.0641 18.7462 18.7462 19.0918 19.0918 k = 0.3333-0.1925 0.2722 ( 1900 PWs) bands (ev): 1.2459 1.2459 2.9626 2.9626 3.0791 3.0791 3.5389 3.5389 3.5736 3.5736 3.7001 3.7001 5.4418 5.4418 6.0629 6.0629 6.6429 6.6429 7.2204 7.2204 7.5395 7.5395 9.2653 9.2653 10.3659 10.3659 10.4468 10.4468 12.4797 12.4797 15.0398 15.0398 18.8836 18.8836 19.2513 19.2513 k = 0.3431-0.1981 0.2802 ( 1892 PWs) bands (ev): 1.2788 1.2788 2.9591 2.9591 3.0948 3.0948 3.5349 3.5349 3.6055 3.6055 3.7068 3.7068 5.4389 5.4389 6.0735 6.0735 6.6547 6.6547 7.2066 7.2066 7.5434 7.5434 9.1432 9.1432 10.2679 10.2679 10.3423 10.3423 12.4553 12.4553 15.0165 15.0165 19.0208 19.0208 19.4117 19.4117 k = 0.3529-0.2038 0.2882 ( 1908 PWs) bands (ev): 1.3091 1.3091 2.9554 2.9554 3.1097 3.1097 3.5310 3.5310 3.6405 3.6405 3.7158 3.7158 5.4355 5.4355 6.0816 6.0816 6.6638 6.6638 7.1948 7.1948 7.5485 7.5485 9.0262 9.0262 10.1726 10.1726 10.2409 10.2409 12.4342 12.4342 14.9945 14.9945 19.1576 19.1576 19.5720 19.5720 k = 0.3627-0.2094 0.2962 ( 1908 PWs) bands (ev): 1.3367 1.3367 2.9518 2.9518 3.1234 3.1234 3.5274 3.5274 3.6734 3.6734 3.7333 3.7333 5.4313 5.4313 6.0866 6.0866 6.6696 6.6696 7.1855 7.1855 7.5548 7.5548 8.9154 8.9154 10.0803 10.0803 10.1429 10.1429 12.4161 12.4161 14.9737 14.9737 19.2938 19.2938 19.7308 19.7308 k = 0.3725-0.2151 0.3042 ( 1908 PWs) bands (ev): 1.3616 1.3616 2.9482 2.9482 3.1358 3.1358 3.5241 3.5241 3.6940 3.6940 3.7691 3.7691 5.4258 5.4258 6.0879 6.0879 6.6723 6.6723 7.1786 7.1786 7.5625 7.5625 8.8119 8.8119 9.9914 9.9914 10.0485 10.0485 12.4005 12.4005 14.9544 14.9544 19.4292 19.4292 19.8870 19.8870 k = 0.3824-0.2208 0.3122 ( 1896 PWs) bands (ev): 1.3838 1.3838 2.9447 2.9447 3.1468 3.1468 3.5210 3.5210 3.7043 3.7043 3.8211 3.8211 5.4186 5.4186 6.0850 6.0850 6.6721 6.6721 7.1740 7.1740 7.5715 7.5715 8.7166 8.7166 9.9062 9.9062 9.9582 9.9582 12.3872 12.3872 14.9364 14.9364 19.5634 19.5634 20.0394 20.0394 k = 0.3922-0.2264 0.3202 ( 1888 PWs) bands (ev): 1.4036 1.4036 2.9413 2.9413 3.1563 3.1563 3.5182 3.5182 3.7106 3.7106 3.8827 3.8827 5.4093 5.4093 6.0773 6.0773 6.6697 6.6697 7.1715 7.1715 7.5820 7.5820 8.6302 8.6302 9.8250 9.8250 9.8722 9.8722 12.3758 12.3758 14.9199 14.9199 19.6957 19.6957 20.1868 20.1868 k = 0.4020-0.2321 0.3282 ( 1884 PWs) bands (ev): 1.4209 1.4209 2.9381 2.9381 3.1644 3.1644 3.5156 3.5156 3.7153 3.7153 3.9507 3.9507 5.3970 5.3970 6.0648 6.0648 6.6657 6.6657 7.1705 7.1705 7.5939 7.5939 8.5532 8.5532 9.7481 9.7481 9.7911 9.7911 12.3660 12.3660 14.9049 14.9049 19.8255 19.8255 20.3280 20.3280 k = 0.4118-0.2377 0.3362 ( 1888 PWs) bands (ev): 1.4359 1.4359 2.9350 2.9350 3.1711 3.1711 3.5132 3.5132 3.7190 3.7190 4.0238 4.0238 5.3811 5.3811 6.0476 6.0476 6.6610 6.6610 7.1705 7.1705 7.6070 7.6070 8.4859 8.4859 9.6759 9.6759 9.7152 9.7152 12.3578 12.3578 14.8913 14.8913 19.9517 19.9517 20.4619 20.4619 k = 0.4216-0.2434 0.3442 ( 1896 PWs) bands (ev): 1.4487 1.4487 2.9321 2.9321 3.1767 3.1767 3.5110 3.5110 3.7222 3.7222 4.1009 4.1009 5.3608 5.3608 6.0264 6.0264 6.6564 6.6564 7.1710 7.1710 7.6211 7.6211 8.4283 8.4283 9.6088 9.6088 9.6453 9.6453 12.3509 12.3509 14.8791 14.8791 20.0732 20.0732 20.5874 20.5874 k = 0.4314-0.2491 0.3522 ( 1896 PWs) bands (ev): 1.4597 1.4597 2.9296 2.9296 3.1814 3.1814 3.5091 3.5091 3.7249 3.7249 4.1810 4.1810 5.3352 5.3352 6.0026 6.0026 6.6525 6.6525 7.1716 7.1716 7.6357 7.6357 8.3800 8.3800 9.5473 9.5473 9.5819 9.5819 12.3451 12.3451 14.8684 14.8684 20.1885 20.1885 20.7035 20.7035 k = 0.4412-0.2547 0.3602 ( 1896 PWs) bands (ev): 1.4688 1.4688 2.9273 2.9273 3.1853 3.1853 3.5075 3.5075 3.7273 3.7273 4.2627 4.2627 5.3038 5.3038 5.9778 5.9778 6.6494 6.6494 7.1720 7.1720 7.6505 7.6505 8.3406 8.3406 9.4919 9.4919 9.5255 9.5255 12.3403 12.3403 14.8592 14.8592 20.2959 20.2959 20.8092 20.8092 k = 0.4510-0.2604 0.3682 ( 1900 PWs) bands (ev): 1.4762 1.4762 2.9253 2.9253 3.1884 3.1884 3.5062 3.5062 3.7292 3.7292 4.3446 4.3446 5.2664 5.2664 5.9538 5.9538 6.6472 6.6472 7.1722 7.1722 7.6648 7.6648 8.3093 8.3093 9.4432 9.4432 9.4768 9.4768 12.3365 12.3365 14.8513 14.8513 20.3933 20.3933 20.9034 20.9034 k = 0.4608-0.2660 0.3762 ( 1900 PWs) bands (ev): 1.4822 1.4822 2.9237 2.9237 3.1908 3.1908 3.5051 3.5051 3.7308 3.7308 4.4245 4.4245 5.2240 5.2240 5.9323 5.9323 6.6458 6.6458 7.1721 7.1721 7.6778 7.6778 8.2852 8.2852 9.4020 9.4020 9.4363 9.4363 12.3334 12.3334 14.8450 14.8450 20.4781 20.4781 20.9851 20.9852 k = 0.4706-0.2717 0.3842 ( 1888 PWs) bands (ev): 1.4867 1.4867 2.9224 2.9224 3.1927 3.1927 3.5043 3.5043 3.7321 3.7321 4.4993 4.4993 5.1788 5.1788 5.9146 5.9146 6.6450 6.6450 7.1719 7.1719 7.6889 7.6889 8.2675 8.2675 9.3689 9.3689 9.4042 9.4042 12.3311 12.3311 14.8400 14.8400 20.5479 20.5479 21.0532 21.0532 k = 0.4804-0.2774 0.3922 ( 1888 PWs) bands (ev): 1.4898 1.4898 2.9215 2.9215 3.1940 3.1940 3.5037 3.5037 3.7330 3.7330 4.5637 4.5637 5.1355 5.1355 5.9015 5.9015 6.6446 6.6446 7.1716 7.1716 7.6974 7.6974 8.2556 8.2556 9.3447 9.3447 9.3811 9.3811 12.3295 12.3295 14.8365 14.8365 20.6001 20.6001 21.1062 21.1062 k = 0.4902-0.2830 0.4002 ( 1868 PWs) bands (ev): 1.4917 1.4917 2.9210 2.9210 3.1949 3.1949 3.5035 3.5035 3.7336 3.7336 4.6097 4.6097 5.1022 5.1022 5.8935 5.8935 6.6445 6.6445 7.1714 7.1714 7.7027 7.7027 8.2486 8.2486 9.3299 9.3299 9.3671 9.3671 12.3286 12.3286 14.8344 14.8344 20.6325 20.6325 21.1426 21.1426 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): 1.4923 1.4923 2.9208 2.9208 3.1952 3.1952 3.5034 3.5034 3.7338 3.7338 4.6268 4.6268 5.0893 5.0893 5.8908 5.8908 6.6444 6.6444 7.1713 7.1713 7.7045 7.7045 8.2464 8.2464 9.3250 9.3250 9.3624 9.3624 12.3283 12.3283 14.8337 14.8337 20.6434 20.6434 21.1589 21.1589 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): 1.4923 1.4923 2.9208 2.9208 3.1952 3.1952 3.5034 3.5034 3.7338 3.7338 4.6268 4.6268 5.0893 5.0893 5.8908 5.8908 6.6444 6.6444 7.1713 7.1713 7.7045 7.7045 8.2464 8.2464 9.3250 9.3250 9.3624 9.3624 12.3283 12.3283 14.8337 14.8337 20.6434 20.6434 21.1589 21.1590 k = 0.5000-0.2776 0.4161 ( 1872 PWs) bands (ev): 1.4910 1.4944 2.9193 2.9222 3.1920 3.1978 3.5002 3.5061 3.7310 3.7358 4.6228 4.6293 5.0889 5.0934 5.8788 5.9025 6.6452 6.6452 7.1624 7.1802 7.6947 7.7135 8.2338 8.2532 9.3106 9.3238 9.3642 9.3715 12.3248 12.3470 14.8371 14.8394 20.5953 20.6713 21.0889 21.0940 k = 0.5000-0.2665 0.4240 ( 1886 PWs) bands (ev): 1.4905 1.4972 2.9177 2.9235 3.1883 3.1998 3.4967 3.5083 3.7274 3.7370 4.6172 4.6303 5.0922 5.1013 5.8667 5.9139 6.6471 6.6477 7.1531 7.1890 7.6838 7.7216 8.2164 8.2539 9.2942 9.3021 9.3784 9.3818 12.3367 12.3805 14.8496 14.8544 20.5315 20.6706 20.9928 21.0131 k = 0.5000-0.2554 0.4318 ( 1886 PWs) bands (ev): 1.4908 1.5009 2.9162 2.9248 3.1842 3.2014 3.4930 3.5102 3.7232 3.7375 4.6102 4.6298 5.0993 5.1128 5.8546 5.9246 6.6499 6.6521 7.1434 7.1979 7.6715 7.7292 8.1950 8.2481 9.2712 9.2777 9.3812 9.4040 12.3639 12.4282 14.8711 14.8785 20.4534 20.6316 20.8660 20.9319 k = 0.5000-0.2443 0.4397 ( 1890 PWs) bands (ev): 1.4919 1.5052 2.9145 2.9260 3.1798 3.2025 3.4893 3.5116 3.7183 3.7372 4.6018 4.6279 5.1101 5.1278 5.8427 5.9348 6.6534 6.6585 7.1330 7.2070 7.6576 7.7362 8.1706 8.2360 9.2342 9.2604 9.3811 9.4278 12.4060 12.4893 14.9013 14.9116 20.3591 20.5490 20.7234 20.8442 k = 0.5000-0.2332 0.4475 ( 1890 PWs) bands (ev): 1.4937 1.5104 2.9129 2.9271 3.1750 3.2030 3.4855 3.5127 3.7129 3.7360 4.5922 4.6247 5.1245 5.1461 5.8311 5.9442 6.6570 6.6671 7.1217 7.2164 7.6418 7.7427 8.1445 8.2180 9.1924 9.2409 9.3799 9.4522 12.4625 12.5630 14.9402 14.9536 20.2438 20.4262 20.5766 20.7502 k = 0.5000-0.2221 0.4554 ( 1902 PWs) bands (ev): 1.4961 1.5161 2.9113 2.9281 3.1697 3.2029 3.4817 3.5132 3.7068 3.7339 4.5815 4.6202 5.1425 5.1676 5.8201 5.9527 6.6605 6.6778 7.1093 7.2261 7.6239 7.7487 8.1176 8.1949 9.1466 9.2176 9.3792 9.4768 12.5327 12.6485 14.9874 15.0045 20.1016 20.2714 20.4369 20.6505 k = 0.5000-0.2110 0.4632 ( 1896 PWs) bands (ev): 1.4993 1.5225 2.9097 2.9290 3.1642 3.2024 3.4782 3.5135 3.7003 3.7311 4.5700 4.6147 5.1638 5.1921 5.8096 5.9605 6.6634 6.6908 7.0954 7.2362 7.6036 7.7540 8.0911 8.1676 9.0977 9.1896 9.3806 9.5009 12.6156 12.7448 15.0427 15.0638 19.9316 20.0931 20.3090 20.5451 k = 0.5000-0.1999 0.4711 ( 1894 PWs) bands (ev): 1.5030 1.5295 2.9081 2.9299 3.1585 3.2013 3.4751 3.5134 3.6934 3.7273 4.5577 4.6083 5.1884 5.2193 5.8000 5.9674 6.6653 6.7058 7.0797 7.2467 7.5809 7.7585 8.0660 8.1375 9.0465 9.1565 9.3844 9.5245 12.7104 12.8511 15.1057 15.1314 19.7395 19.8982 20.1900 20.4339 k = 0.5000-0.1887 0.4789 ( 1894 PWs) bands (ev): 1.5072 1.5370 2.9066 2.9306 3.1525 3.1996 3.4724 3.5130 3.6861 3.7226 4.5450 4.6012 5.2160 5.2490 5.7914 5.9735 6.6658 6.7228 7.0618 7.2576 7.5560 7.7616 8.0430 8.1059 8.9936 9.1188 9.3906 9.5470 12.8162 12.9667 15.1760 15.2069 19.5327 19.6916 20.0751 20.3166 k = 0.5000-0.1776 0.4868 ( 1888 PWs) bands (ev): 1.5119 1.5449 2.9051 2.9313 3.1464 3.1975 3.4703 3.5123 3.6784 3.7171 4.5320 4.5935 5.2465 5.2807 5.7840 5.9789 6.6644 6.7417 7.0413 7.2688 7.5290 7.7629 8.0226 8.0748 8.9398 9.0770 9.3986 9.5685 12.9322 13.0908 15.2532 15.2901 19.3163 19.4768 19.9605 20.1931 k = 0.5000-0.1665 0.4946 ( 1888 PWs) bands (ev): 1.5170 1.5532 2.9036 2.9318 3.1401 3.1949 3.4688 3.5115 3.6705 3.7106 4.5189 4.5854 5.2798 5.3142 5.7781 5.9836 6.6608 6.7622 7.0178 7.2802 7.5006 7.7613 8.0052 8.0461 8.8856 9.0321 9.4080 9.5887 13.0575 13.2228 15.3368 15.3804 19.0939 19.2564 19.8442 20.0637 k = 0.5000-0.1554 0.5025 ( 1890 PWs) bands (ev): 1.5224 1.5617 2.9021 2.9322 3.1338 3.1919 3.4679 3.5105 3.6624 3.7032 4.5059 4.5771 5.3155 5.3488 5.7741 5.9877 6.6545 6.7841 6.9908 7.2916 7.4715 7.7557 7.9910 8.0222 8.8315 8.9847 9.4183 9.6076 13.1914 13.3622 15.4264 15.4776 18.8677 19.0320 19.7252 19.9285 k = 0.5000-0.1443 0.5103 ( 1888 PWs) bands (ev): 1.5280 1.5703 2.9008 2.9324 3.1276 3.1886 3.4679 3.5094 3.6543 3.6951 4.4932 4.5686 5.3534 5.3839 5.7726 5.9914 6.6451 6.8072 6.9602 7.3029 7.4423 7.7453 7.9798 8.0049 8.7779 8.9355 9.4289 9.6250 13.3332 13.5085 15.5214 15.5811 18.6392 18.8051 19.6032 19.7879 k = 0.5000-0.1332 0.5182 ( 1888 PWs) bands (ev): 1.5338 1.5790 2.8994 2.9325 3.1214 3.1850 3.4687 3.5082 3.6462 3.6862 4.4809 4.5602 5.3932 5.4187 5.7741 5.9947 6.6322 6.8307 6.9263 7.3139 7.4137 7.7297 7.9716 7.9956 8.7254 8.8850 9.4396 9.6411 13.4823 13.6611 15.6211 15.6904 18.4094 18.5768 19.4783 19.6427 k = 0.5000-0.1221 0.5260 ( 1892 PWs) bands (ev): 1.5395 1.5876 2.8981 2.9325 3.1154 3.1812 3.4703 3.5070 3.6382 3.6765 4.4692 4.5519 5.4346 5.4520 5.7798 5.9980 6.6155 6.8516 6.8921 7.3244 7.3863 7.7100 7.9660 7.9941 8.6742 8.8337 9.4501 9.6557 13.6382 13.8196 15.7249 15.8050 18.1793 18.3479 19.3508 19.4935 k = 0.5000-0.1110 0.5339 ( 1892 PWs) bands (ev): 1.5452 1.5960 2.8970 2.9324 3.1096 3.1773 3.4728 3.5058 3.6305 3.6662 4.4582 4.5440 5.4773 5.4826 5.7906 6.0012 6.5949 6.8377 6.8897 7.3340 7.3601 7.6880 7.9630 7.9997 8.6248 8.7821 9.4601 9.6689 13.8004 13.9838 15.8317 15.9243 17.9496 18.1191 19.2215 19.3411 k = 0.5000-0.0999 0.5417 ( 1892 PWs) bands (ev): 1.5507 1.6040 2.8959 2.9322 3.1042 3.1735 3.4761 3.5047 3.6230 3.6554 4.4481 4.5364 5.5092 5.5206 5.8076 6.0047 6.5701 6.7954 6.9132 7.3354 7.3425 7.6655 7.9622 8.0111 8.5776 8.7305 9.4694 9.6807 13.9684 14.1532 15.9407 16.0474 17.7208 17.8910 19.0911 19.1868 k = 0.5000-0.0888 0.5496 ( 1892 PWs) bands (ev): 1.5560 1.6117 2.8949 2.9319 3.0992 3.1697 3.4803 3.5037 3.6161 3.6441 4.4388 4.5294 5.5310 5.5640 5.8316 6.0087 6.5411 6.7486 6.9390 7.3120 7.3498 7.6441 7.9635 8.0272 8.5328 8.6793 9.4780 9.6911 14.1418 14.3275 16.0504 16.1734 17.4938 17.6642 18.9611 19.0316 k = 0.5000-0.0777 0.5574 ( 1892 PWs) bands (ev): 1.5609 1.6188 2.8941 2.9315 3.0946 3.1662 3.4853 3.5027 3.6096 3.6326 4.4306 4.5231 5.5476 5.6068 5.8626 6.0134 6.5081 6.7000 6.9653 7.2897 7.3557 7.6248 7.9664 8.0473 8.4910 8.6288 9.4858 9.7002 14.3202 14.5063 16.1587 16.3010 17.2693 17.4392 18.8329 18.8770 k = 0.5000-0.0666 0.5653 ( 1892 PWs) bands (ev): 1.5654 1.6252 2.8933 2.9311 3.0905 3.1629 3.4911 3.5018 3.6038 3.6209 4.4233 4.5174 5.5596 5.6479 5.8998 6.0192 6.4711 6.6511 6.9917 7.2681 7.3601 7.6083 7.9708 8.0708 8.4525 8.5794 9.4927 9.7079 14.5031 14.6893 16.2626 16.4282 17.0493 17.2172 18.7086 18.7248 k = 0.5000-0.0555 0.5731 ( 1888 PWs) bands (ev): 1.5693 1.6308 2.8927 2.9307 3.0870 3.1600 3.4976 3.5011 3.5988 3.6093 4.4172 4.5125 5.5679 5.6862 5.9421 6.0265 6.4306 6.6031 7.0177 7.2471 7.3632 7.5948 7.9762 8.0970 8.4179 8.5313 9.4985 9.7145 14.6901 14.8760 16.3549 16.5506 16.8388 17.0006 18.5776 18.5909 k = 0.5000-0.0444 0.5810 ( 1888 PWs) bands (ev): 1.5726 1.6355 2.8921 2.9303 3.0841 3.1576 3.5005 3.5047 3.5945 3.5978 4.4122 4.5084 5.5735 5.7201 5.9881 6.0352 6.3869 6.5578 7.0434 7.2261 7.3651 7.5844 7.9821 8.1253 8.3879 8.4852 9.5033 9.7198 14.8806 15.0657 16.4061 16.6454 16.6645 16.8098 18.4387 18.4832 k = 0.5000-0.0333 0.5888 ( 1892 PWs) bands (ev): 1.5753 1.6393 2.8917 2.9299 3.0817 3.1555 3.4999 3.5120 3.5869 3.5910 4.4082 4.5052 5.5771 5.7483 6.0368 6.0452 6.3404 6.5174 7.0684 7.2051 7.3661 7.5768 7.9879 8.1548 8.3632 8.4418 9.5071 9.7238 15.0735 15.2573 16.3163 16.5385 16.6230 16.8150 18.3134 18.3900 k = 0.5000-0.0222 0.5967 ( 1892 PWs) bands (ev): 1.5772 1.6421 2.8914 2.9296 3.0801 3.1541 3.4996 3.5193 3.5771 3.5886 4.4054 4.5029 5.5793 5.7692 6.0551 6.0873 6.2919 6.4847 7.0929 7.1839 7.3666 7.5716 7.9929 8.1838 8.3447 8.4031 9.5099 9.7267 15.2664 15.4476 16.1340 16.3421 16.6630 16.8993 18.2099 18.3168 k = 0.5000-0.0111 0.6045 ( 1888 PWs) bands (ev): 1.5784 1.6438 2.8912 2.9295 3.0791 3.1532 3.4994 3.5253 3.5696 3.5871 4.4037 4.5015 5.5805 5.7821 6.0628 6.1387 6.2417 6.4630 7.1166 7.1621 7.3667 7.5687 7.9962 8.2078 8.3331 8.3732 9.5115 9.7285 15.4501 15.6253 15.9481 16.1574 16.6988 16.9615 18.1395 18.2696 k = 0.5000 0.0000 0.6124 ( 1888 PWs) bands (ev): 1.5788 1.6443 2.8912 2.9294 3.0787 3.1529 3.4993 3.5279 3.5666 3.5866 4.4031 4.5010 5.5809 5.7864 6.0657 6.1885 6.1923 6.4554 7.1380 7.1414 7.3668 7.5677 7.9974 8.2182 8.3292 8.3609 9.5120 9.7291 15.5594 15.7244 15.8374 16.0557 16.7121 16.9843 18.1142 18.2532 k = 0.5000 0.0000 0.6124 ( 1888 PWs) bands (ev): 1.5788 1.6443 2.8912 2.9294 3.0787 3.1529 3.4993 3.5279 3.5666 3.5866 4.4031 4.5010 5.5809 5.7864 6.0657 6.1885 6.1923 6.4554 7.1380 7.1414 7.3668 7.5677 7.9974 8.2182 8.3292 8.3609 9.5120 9.7291 15.5594 15.7244 15.8374 16.0557 16.7121 16.9843 18.1142 18.2532 k = 0.4931 0.0120 0.6124 ( 1888 PWs) bands (ev): 1.5787 1.6441 2.8911 2.9296 3.0788 3.1529 3.4990 3.5266 3.5677 3.5873 4.4023 4.4996 5.5794 5.7832 6.0631 6.1555 6.2273 6.4615 7.1224 7.1563 7.3658 7.5687 7.9967 8.2149 8.3184 8.3811 9.5147 9.7319 15.4915 15.6633 15.9015 16.1117 16.7095 16.9756 18.1304 18.2657 k = 0.4861 0.0241 0.6124 ( 1890 PWs) bands (ev): 1.5783 1.6433 2.8910 2.9299 3.0790 3.1529 3.4981 3.5229 3.5705 3.5895 4.4002 4.4958 5.5750 5.7750 6.0452 6.1364 6.2629 6.4771 7.1038 7.1729 7.3631 7.5713 7.9932 8.2085 8.3052 8.4196 9.5229 9.7406 15.3554 15.5323 16.0255 16.2278 16.7050 16.9532 18.1750 18.3004 k = 0.4792 0.0361 0.6124 ( 1896 PWs) bands (ev): 1.5778 1.6420 2.8906 2.9305 3.0794 3.1528 3.4968 3.5177 3.5736 3.5937 4.3969 4.4899 5.5679 5.7644 6.0082 6.1374 6.2970 6.4984 7.0842 7.1894 7.3591 7.5750 7.9859 8.1994 8.3010 8.4641 9.5370 9.7554 15.1991 15.3768 16.1602 16.3555 16.7074 16.9245 18.2413 18.3530 k = 0.4722 0.0481 0.6124 ( 1896 PWs) bands (ev): 1.5772 1.6405 2.8902 2.9313 3.0799 3.1527 3.4949 3.5118 3.5762 3.5999 4.3930 4.4824 5.5587 5.7532 5.9635 6.1473 6.3293 6.5229 7.0642 7.2057 7.3540 7.5790 7.9750 8.1862 8.3088 8.5115 9.5572 9.7766 15.0341 15.2107 16.2882 16.4704 16.7344 16.8986 18.3228 18.4195 k = 0.4653 0.0601 0.6124 ( 1888 PWs) bands (ev): 1.5765 1.6386 2.8897 2.9323 3.0808 3.1525 3.4922 3.5064 3.5785 3.6076 4.3884 4.4736 5.5476 5.7425 5.9177 6.1599 6.3597 6.5484 7.0443 7.2216 7.3482 7.5829 7.9615 8.1693 8.3271 8.5599 9.5838 9.8040 14.8649 15.0395 16.3882 16.5543 16.8074 16.8926 18.4142 18.4964 k = 0.4583 0.0722 0.6124 ( 1891 PWs) bands (ev): 1.5759 1.6365 2.8891 2.9334 3.0818 3.1523 3.4878 3.5020 3.5804 3.6159 4.3834 4.4639 5.5353 5.7326 5.8730 6.1730 6.3881 6.5732 7.0253 7.2370 7.3419 7.5858 7.9468 8.1502 8.3524 8.6081 9.6171 9.8378 14.6946 14.8664 16.4373 16.6105 16.8900 16.9631 18.5108 18.5808 k = 0.4514 0.0842 0.6124 ( 1895 PWs) bands (ev): 1.5752 1.6343 2.8883 2.9346 3.0831 3.1519 3.4820 3.4991 3.5822 3.6245 4.3783 4.4537 5.5225 5.7234 5.8308 6.1860 6.4144 6.5962 7.0078 7.2518 7.3356 7.5873 7.9322 8.1302 8.3815 8.6548 9.6573 9.8775 14.5255 14.6940 16.4470 16.6306 16.9857 17.1049 18.6088 18.6707 k = 0.4444 0.0962 0.6124 ( 1891 PWs) bands (ev): 1.5745 1.6320 2.8875 2.9358 3.0846 3.1514 3.4754 3.4972 3.5841 3.6331 4.3732 4.4432 5.5098 5.7141 5.7923 6.1985 6.4386 6.6164 6.9926 7.2656 7.3297 7.5867 7.9189 8.1099 8.4120 8.6989 9.7041 9.9225 14.3597 14.5243 16.4399 16.6218 17.1193 17.2634 18.7042 18.7646 k = 0.4375 0.1083 0.6124 ( 1889 PWs) bands (ev): 1.5740 1.6297 2.8867 2.9371 3.0864 3.1507 3.4685 3.4958 3.5860 3.6415 4.3683 4.4328 5.4977 5.7027 5.7599 6.2103 6.4609 6.6328 6.9803 7.2771 7.3255 7.5836 7.9077 8.0899 8.4423 8.7395 9.7570 9.9718 14.1994 14.3593 16.4269 16.6019 17.2722 17.4286 18.7936 18.8607 k = 0.4306 0.1203 0.6124 ( 1891 PWs) bands (ev): 1.5735 1.6274 2.8859 2.9382 3.0884 3.1499 3.4618 3.4946 3.5878 3.6494 4.3636 4.4226 5.4866 5.6855 5.7371 6.2215 6.4812 6.6449 6.9716 7.2839 7.3259 7.5777 7.8992 8.0704 8.4710 8.7761 9.8151 10.0240 14.0469 14.2009 16.4120 16.5792 17.4345 17.5976 18.8745 18.9562 k = 0.4236 0.1323 0.6124 ( 1889 PWs) bands (ev): 1.5731 1.6252 2.8852 2.9393 3.0907 3.1489 3.4555 3.4937 3.5896 3.6568 4.3593 4.4130 5.4770 5.6620 5.7245 6.2317 6.4998 6.6522 6.9668 7.2839 7.3331 7.5691 7.8936 8.0516 8.4972 8.8080 9.8769 10.0775 13.9043 14.0513 16.3973 16.5571 17.6018 17.7688 18.9444 19.0475 k = 0.4167 0.1443 0.6124 ( 1893 PWs) bands (ev): 1.5727 1.6232 2.8845 2.9403 3.0930 3.1477 3.4496 3.4928 3.5912 3.6635 4.3555 4.4041 5.4691 5.6368 5.7176 6.2411 6.5168 6.6549 6.9657 7.2792 7.3453 7.5579 7.8909 8.0336 8.5205 8.8353 9.9404 10.1301 13.7741 13.9126 16.3837 16.5370 17.7718 17.9410 18.9998 19.1306 k = 0.4097 0.1564 0.6124 ( 1885 PWs) bands (ev): 1.5725 1.6213 2.8839 2.9411 3.0954 3.1465 3.4446 3.4922 3.5928 3.6694 4.3523 4.3961 5.4629 5.6130 5.7134 6.2493 6.5325 6.6534 6.9676 7.2725 7.3598 7.5445 7.8908 8.0168 8.5405 8.8580 10.0030 10.1796 13.6588 13.7873 16.3716 16.5195 17.9428 18.1132 19.0359 19.2000 k = 0.4028 0.1684 0.6124 ( 1883 PWs) bands (ev): 1.5723 1.6197 2.8834 2.9418 3.0978 3.1451 3.4403 3.4918 3.5941 3.6743 4.3496 4.3893 5.4584 5.5921 5.7106 6.2563 6.5471 6.6485 6.9715 7.2656 7.3754 7.5295 7.8930 8.0013 8.5570 8.8761 10.0617 10.2234 13.5609 13.6781 16.3615 16.5050 18.1134 18.2839 19.0469 19.2474 k = 0.3958 0.1804 0.6124 ( 1889 PWs) bands (ev): 1.5722 1.6185 2.8829 2.9423 3.0999 3.1438 3.4367 3.4913 3.5951 3.6782 4.3475 4.3838 5.4556 5.5748 5.7086 6.2619 6.5605 6.6413 6.9762 7.2592 7.3915 7.5136 7.8968 7.9874 8.5698 8.8899 10.1133 10.2594 13.4827 13.5880 16.3535 16.4936 18.2815 18.4505 19.0266 19.2598 k = 0.3889 0.1925 0.6124 ( 1891 PWs) bands (ev): 1.5721 1.6175 2.8825 2.9427 3.1016 3.1427 3.4342 3.4910 3.5959 3.6810 4.3461 4.3797 5.4540 5.5618 5.7074 6.2660 6.5726 6.6330 6.9806 7.2540 7.4072 7.4978 7.9013 7.9759 8.5789 8.8996 10.1541 10.2857 13.4261 13.5201 16.3477 16.4854 18.4445 18.6083 18.9713 19.2250 k = 0.3819 0.2045 0.6124 ( 1890 PWs) bands (ev): 1.5720 1.6169 2.8823 2.9429 3.1027 3.1420 3.4326 3.4909 3.5964 3.6828 4.3452 4.3772 5.4534 5.5537 5.7067 6.2686 6.5823 6.6252 6.9837 7.2507 7.4206 7.4842 7.9053 7.9679 8.5844 8.9054 10.1805 10.3016 13.3920 13.4775 16.3442 16.4805 18.5965 18.7420 18.8860 19.1538 k = 0.3750 0.2165 0.6124 ( 1890 PWs) bands (ev): 1.5720 1.6167 2.8823 2.9430 3.1031 3.1417 3.4321 3.4908 3.5965 3.6834 4.3450 4.3763 5.4532 5.5509 5.7064 6.2694 6.5866 6.6215 6.9848 7.2495 7.4267 7.4780 7.9069 7.9649 8.5862 8.9073 10.1897 10.3068 13.3807 13.4630 16.3430 16.4788 18.7001 18.7746 18.8376 19.1065 k = 0.3750 0.2165 0.6124 ( 1890 PWs) bands (ev): 1.5720 1.6167 2.8823 2.9430 3.1031 3.1417 3.4321 3.4908 3.5965 3.6834 4.3450 4.3763 5.4532 5.5509 5.7064 6.2694 6.5866 6.6215 6.9848 7.2495 7.4267 7.4780 7.9069 7.9649 8.5862 8.9073 10.1897 10.3068 13.3807 13.4630 16.3430 16.4788 18.7001 18.7746 18.8376 19.1065 k = 0.3681 0.2125 0.6010 ( 1890 PWs) bands (ev): 1.5789 1.6239 2.8797 2.9441 3.0988 3.1311 3.4290 3.4869 3.5880 3.6774 4.3184 4.3435 5.4620 5.5485 5.7401 6.3198 6.5313 6.6070 7.0015 7.2188 7.4072 7.4736 7.9234 8.0048 8.5689 8.8845 10.2784 10.3968 13.4372 13.5137 16.4587 16.6271 18.5939 18.6406 18.7351 19.0236 k = 0.3611 0.2085 0.5897 ( 1886 PWs) bands (ev): 1.5851 1.6300 2.8773 2.9453 3.0950 3.1197 3.4259 3.4826 3.5802 3.6714 4.2910 4.3090 5.4672 5.5362 5.7817 6.3734 6.4743 6.5929 7.0186 7.1880 7.3913 7.4736 7.9449 8.0493 8.5550 8.8641 10.3698 10.4894 13.4915 13.5623 16.5576 16.7627 18.4874 18.5077 18.6497 18.9638 k = 0.3542 0.2045 0.5784 ( 1892 PWs) bands (ev): 1.5905 1.6349 2.8749 2.9463 3.0914 3.1074 3.4230 3.4779 3.5731 3.6653 4.2628 4.2729 5.4691 5.5187 5.8257 6.4162 6.4303 6.5803 7.0350 7.1590 7.3802 7.4763 7.9702 8.0981 8.5448 8.8462 10.4637 10.5843 13.5440 13.6092 16.6348 16.8780 18.3766 18.3788 18.5842 18.9288 k = 0.3472 0.2005 0.5670 ( 1892 PWs) bands (ev): 1.5949 1.6384 2.8728 2.9474 3.0884 3.0945 3.4203 3.4727 3.5669 3.6591 4.2340 4.2355 5.4679 5.4982 5.8687 6.3610 6.4870 6.5709 7.0494 7.1326 7.3752 7.4809 7.9981 8.1508 8.5394 8.8312 10.5600 10.6816 13.5951 13.6546 16.6864 16.9644 18.2479 18.2679 18.5394 18.9116 k = 0.3403 0.1965 0.5557 ( 1896 PWs) bands (ev): 1.5980 1.6402 2.8708 2.9483 3.0810 3.0859 3.4176 3.4670 3.5616 3.6528 4.1970 4.2046 5.4638 5.4760 5.9087 6.3073 6.5447 6.5660 7.0606 7.1090 7.3774 7.4869 8.0275 8.2069 8.5397 8.8196 10.6584 10.7810 13.6450 13.6989 16.7113 17.0152 18.1218 18.1552 18.5093 18.8909 k = 0.3333 0.1925 0.5443 ( 1896 PWs) bands (ev): 1.5995 1.6400 2.8690 2.9491 3.0670 3.0838 3.4151 3.4609 3.5574 3.6466 4.1578 4.1747 5.4528 5.4571 5.9438 6.2564 6.5670 6.6016 7.0675 7.0882 7.3882 7.4941 8.0573 8.2659 8.5469 8.8120 10.7587 10.8823 13.6939 13.7423 16.7104 17.0284 17.9985 18.0416 18.4787 18.8387 k = 0.3264 0.1884 0.5330 ( 1896 PWs) bands (ev): 1.5992 1.6375 2.8675 2.9498 3.0529 3.0823 3.4127 3.4545 3.5541 3.6403 4.1182 4.1445 5.4291 5.4482 5.9730 6.2090 6.5745 6.6566 7.0695 7.0700 7.4081 7.5025 8.0866 8.3270 8.5622 8.8093 10.8609 10.9854 13.7421 13.7849 16.6871 17.0074 17.8783 17.9281 18.4303 18.7506 k = 0.3194 0.1844 0.5217 ( 1890 PWs) bands (ev): 1.5967 1.6327 2.8664 2.9504 3.0388 3.0813 3.4104 3.4478 3.5518 3.6340 4.0786 4.1143 5.4055 5.4374 5.9957 6.1654 6.5885 6.7087 7.0543 7.0667 7.4367 7.5120 8.1151 8.3894 8.5865 8.8127 10.9646 11.0902 13.7898 13.8270 16.6456 16.9593 17.7613 17.8155 18.3584 18.6418 k = 0.3125 0.1804 0.5103 ( 1890 PWs) bands (ev): 1.5917 1.6250 2.8655 2.9505 3.0252 3.0809 3.4083 3.4410 3.5502 3.6276 4.0394 4.0839 5.3825 5.4249 6.0121 6.1256 6.6081 6.7573 7.0412 7.0598 7.4726 7.5227 8.1432 8.4518 8.6202 8.8238 11.0697 11.1964 13.8371 13.8685 16.5901 16.8913 17.6477 17.7045 18.2682 18.5236 k = 0.3056 0.1764 0.4990 ( 1891 PWs) bands (ev): 1.5841 1.6145 2.8649 2.9501 3.0124 3.0809 3.4063 3.4342 3.5495 3.6211 4.0010 4.0536 5.3604 5.4113 6.0229 6.0898 6.6316 6.8019 7.0310 7.0495 7.5137 7.5344 8.1725 8.5127 8.6633 8.8446 11.1760 11.3039 13.8842 13.9096 16.5244 16.8097 17.5375 17.5956 18.1670 18.4020 k = 0.2986 0.1724 0.4876 ( 1899 PWs) bands (ev): 1.5734 1.6007 2.8646 2.9488 3.0009 3.0813 3.4045 3.4274 3.5493 3.6145 3.9638 4.0235 5.3395 5.3967 6.0292 6.0576 6.6565 6.8423 7.0240 7.0367 7.5468 7.5572 8.2052 8.5705 8.7151 8.8772 11.2833 11.4125 13.9310 13.9503 16.4516 16.7191 17.4310 17.4891 18.0600 18.2796 k = 0.2917 0.1684 0.4763 ( 1899 PWs) bands (ev): 1.5595 1.5837 2.8646 2.9463 2.9916 3.0820 3.4030 3.4209 3.5497 3.6079 3.9285 3.9939 5.3202 5.3817 6.0288 6.0320 6.6805 6.8785 7.0210 7.0223 7.5599 7.5999 8.2442 8.6242 8.7747 8.9232 11.3914 11.5221 13.9777 13.9905 16.3743 16.6228 17.3283 17.3854 17.9506 18.1580 k = 0.2847 0.1644 0.4649 ( 1891 PWs) bands (ev): 1.5422 1.5634 2.8650 2.9422 2.9850 3.0831 3.4019 3.4147 3.5507 3.6012 3.8953 3.9649 5.3028 5.3667 6.0032 6.0322 6.7011 6.9100 7.0077 7.0228 7.5731 7.6389 8.2923 8.6744 8.8413 8.9825 11.5002 11.6324 14.0241 14.0301 16.2943 16.5232 17.2295 17.2847 17.8408 18.0381 k = 0.2778 0.1604 0.4536 ( 1895 PWs) bands (ev): 1.5213 1.5395 2.8655 2.9367 2.9809 3.0842 3.4013 3.4089 3.5521 3.5944 3.8646 3.9366 5.2875 5.3518 5.9804 6.0307 6.7163 6.9339 6.9963 7.0299 7.5862 7.6717 8.3517 8.7232 8.9140 9.0536 11.6093 11.7432 14.0689 14.0702 16.2135 16.4220 17.1347 17.1873 17.7318 17.9202 k = 0.2708 0.1564 0.4423 ( 1895 PWs) bands (ev): 1.4968 1.5122 2.8662 2.9307 2.9789 3.0852 3.4013 3.4035 3.5538 3.5877 3.8365 3.9092 5.2744 5.3376 5.9601 6.0279 6.7252 6.9408 6.9985 7.0424 7.5987 7.6972 8.4232 8.7730 8.9921 9.1345 11.7185 11.8543 14.1067 14.1158 16.1331 16.3206 17.0440 17.0934 17.6247 17.8050 k = 0.2639 0.1524 0.4309 ( 1899 PWs) bands (ev): 1.4686 1.4816 2.8671 2.9250 2.9783 3.0859 3.3986 3.4022 3.5557 3.5809 3.8112 3.8825 5.2637 5.3242 5.9418 6.0243 6.7277 6.9291 7.0163 7.0595 7.6103 7.7155 8.5064 8.8262 9.0752 9.2232 11.8276 11.9655 14.1430 14.1605 16.0544 16.2202 16.9576 17.0031 17.5199 17.6925 k = 0.2569 0.1483 0.4196 ( 1899 PWs) bands (ev): 1.4370 1.4477 2.8682 2.9199 2.9785 3.0860 3.3942 3.4041 3.5579 3.5743 3.7888 3.8570 5.2553 5.3119 5.9254 6.0202 6.7247 6.9104 7.0388 7.0802 7.6206 7.7273 8.6002 8.8841 9.1628 9.3184 11.9363 12.0765 14.1773 14.2040 15.9787 16.1218 16.8757 16.9167 17.4179 17.5830 k = 0.2500 0.1443 0.4082 ( 1915 PWs) bands (ev): 1.4020 1.4107 2.8693 2.9159 2.9793 3.0853 3.3903 3.4072 3.5602 3.5678 3.7691 3.8324 5.2495 5.3009 5.9105 6.0156 6.7171 6.8890 7.0621 7.1030 7.6293 7.7338 8.7028 8.9476 9.2548 9.4192 12.0443 12.1870 14.2090 14.2457 15.9071 16.0265 16.7982 16.8342 17.3191 17.4767 k = 0.2431 0.1403 0.3969 ( 1899 PWs) bands (ev): 1.3638 1.3709 2.8707 2.9132 2.9807 3.0839 3.3872 3.4118 3.5620 3.5627 3.7522 3.8092 5.2461 5.2914 5.8969 6.0108 6.7061 6.8663 7.0852 7.1270 7.6364 7.7365 8.8127 9.0170 9.3511 9.5250 12.1514 12.2968 14.2373 14.2849 15.8408 15.9356 16.7255 16.7560 17.2238 17.3737 k = 0.2361 0.1363 0.3856 ( 1899 PWs) bands (ev): 1.3228 1.3285 2.8722 2.9117 2.9823 3.0814 3.3847 3.4178 3.5565 3.5651 3.7376 3.7870 5.2452 5.2835 5.8843 6.0057 6.6924 6.8426 7.1080 7.1514 7.6418 7.7362 8.9282 9.0924 9.4516 9.6355 12.2572 12.4056 14.2612 14.3206 15.7812 15.8501 16.6576 16.6821 17.1323 17.2742 k = 0.2292 0.1323 0.3742 ( 1899 PWs) bands (ev): 1.2792 1.2837 2.8737 2.9113 2.9842 3.0780 3.3828 3.4251 3.5517 3.5674 3.7250 3.7661 5.2468 5.2774 5.8725 6.0004 6.6767 6.8183 7.1306 7.1756 7.6455 7.7338 9.0478 9.1732 9.5565 9.7505 12.3612 12.5130 14.2797 14.3515 15.7295 15.7717 16.5946 16.6127 17.0447 17.1782 k = 0.2222 0.1283 0.3629 ( 1903 PWs) bands (ev): 1.2334 1.2370 2.8753 2.9119 2.9862 3.0736 3.3815 3.4336 3.5476 3.5695 3.7142 3.7464 5.2507 5.2732 5.8614 5.9948 6.6595 6.7935 7.1529 7.1995 7.6478 7.7300 9.1703 9.2591 9.6660 9.8698 12.4632 12.6186 14.2918 14.3761 15.6872 15.7021 16.5368 16.5479 16.9614 17.0860 k = 0.2153 0.1243 0.3515 ( 1905 PWs) bands (ev): 1.1857 1.1886 2.8770 2.9135 2.9884 3.0685 3.3809 3.4431 3.5444 3.5714 3.7050 3.7281 5.2570 5.2710 5.8509 5.9890 6.6411 6.7683 7.1750 7.2228 7.6489 7.7253 9.2944 9.3495 9.7802 9.9933 12.5628 12.7222 14.2963 14.3927 15.6430 15.6553 16.4841 16.4881 16.8825 16.9977 k = 0.2083 0.1203 0.3402 ( 1897 PWs) bands (ev): 1.1365 1.1388 2.8790 2.9158 2.9908 3.0627 3.3810 3.4533 3.5423 3.5730 3.6971 3.7112 5.2655 5.2708 5.8408 5.9830 6.6219 6.7428 7.1971 7.2456 7.6488 7.7201 9.4190 9.4436 9.8996 10.1210 12.6594 12.8232 14.2927 14.3998 15.5962 15.6346 16.4333 16.4368 16.8085 16.9135 k = 0.2014 0.1163 0.3289 ( 1895 PWs) bands (ev): 1.0861 1.0880 2.8810 2.9187 2.9933 3.0565 3.3816 3.4636 3.5413 3.5741 3.6902 3.6958 5.2727 5.2761 5.8310 5.9767 6.6021 6.7173 7.2191 7.2677 7.6480 7.7146 9.5408 9.5431 10.0245 10.2527 12.7527 12.9214 14.2806 14.3961 15.5630 15.6256 16.3838 16.3949 16.7396 16.8334 k = 0.1944 0.1123 0.3175 ( 1895 PWs) bands (ev): 1.0350 1.0365 2.8832 2.9221 2.9957 3.0500 3.3829 3.4736 3.5416 3.5745 3.6820 3.6842 5.2767 5.2888 5.8214 5.9702 6.5818 6.6917 7.2409 7.2893 7.6465 7.7090 9.6405 9.6659 10.1549 10.3885 12.8421 13.0163 14.2602 14.3810 15.5439 15.6279 16.3396 16.3583 16.6763 16.7579 k = 0.1875 0.1083 0.3062 ( 1901 PWs) bands (ev): 0.9833 0.9846 2.8855 2.9258 2.9982 3.0433 3.3848 3.4826 3.5436 3.5742 3.6697 3.6789 5.2828 5.3034 5.8120 5.9633 6.5613 6.6663 7.2628 7.3102 7.6446 7.7036 9.7420 9.7865 10.2909 10.5282 12.9270 13.1074 14.2323 14.3550 15.5384 15.6407 16.3010 16.3272 16.6192 16.6873 k = 0.1806 0.1042 0.2948 ( 1899 PWs) bands (ev): 0.9315 0.9326 2.8880 2.9298 3.0006 3.0367 3.3873 3.4902 3.5475 3.5729 3.6593 3.6742 5.2911 5.3198 5.8028 5.9560 6.5408 6.6410 7.2845 7.3306 7.6424 7.6985 9.8447 9.9046 10.4323 10.6716 13.0070 13.1945 14.1980 14.3195 15.5448 15.6625 16.2681 16.3012 16.5691 16.6220 k = 0.1736 0.1002 0.2835 ( 1899 PWs) bands (ev): 0.8798 0.8808 2.8907 2.9339 3.0029 3.0302 3.3903 3.4960 3.5533 3.5706 3.6507 3.6700 5.3015 5.3377 5.7936 5.9485 6.5204 6.6161 7.3062 7.3505 7.6401 7.6936 9.9481 10.0198 10.5789 10.8187 13.0815 13.2771 14.1588 14.2767 15.5608 15.6914 16.2410 16.2802 16.5268 16.5628 k = 0.1667 0.0962 0.2722 ( 1907 PWs) bands (ev): 0.8285 0.8293 2.8935 2.9380 3.0051 3.0238 3.3938 3.5003 3.5604 3.5673 3.6438 3.6660 5.3138 5.3571 5.7846 5.9405 6.5003 6.5915 7.3278 7.3699 7.6379 7.6891 10.0516 10.1319 10.7300 10.9692 13.1499 13.3548 14.1160 14.2289 15.5835 15.7252 16.2196 16.2639 16.4935 16.5107 k = 0.1597 0.0922 0.2608 ( 1907 PWs) bands (ev): 0.7778 0.7786 2.8965 2.9422 3.0071 3.0178 3.3978 3.5035 3.5632 3.5683 3.6385 3.6624 5.3281 5.3776 5.7757 5.9322 6.4807 6.5676 7.3492 7.3888 7.6358 7.6850 10.1547 10.2408 10.8852 11.1229 13.2114 13.4274 14.0712 14.1786 15.6098 15.7612 16.2034 16.2522 16.4675 16.4702 k = 0.1528 0.0882 0.2495 ( 1907 PWs) bands (ev): 0.7280 0.7287 2.8998 2.9464 3.0089 3.0122 3.4023 3.5059 3.5585 3.5764 3.6345 3.6590 5.3442 5.3992 5.7669 5.9235 6.4616 6.5443 7.3704 7.4072 7.6339 7.6813 10.2569 10.3463 11.0437 11.2795 13.2656 13.4946 14.0257 14.1284 15.6369 15.7965 16.1915 16.2449 16.4357 16.4580 k = 0.1458 0.0842 0.2381 ( 1907 PWs) bands (ev): 0.6793 0.6798 2.9032 2.9505 3.0069 3.0104 3.4072 3.5080 3.5536 3.5841 3.6315 3.6558 5.3620 5.4214 5.7583 5.9144 6.4434 6.5217 7.3914 7.4252 7.6322 7.6781 10.3577 10.4482 11.2048 11.4388 13.3115 13.5562 13.9809 14.0804 15.6619 15.8282 16.1823 16.2424 16.4184 16.4574 k = 0.1389 0.0802 0.2268 ( 1907 PWs) bands (ev): 0.6318 0.6323 2.9067 2.9545 3.0021 3.0117 3.4124 3.5099 3.5486 3.5913 3.6291 3.6527 5.3812 5.4442 5.7498 5.9050 6.4261 6.5000 7.4121 7.4427 7.6309 7.6752 10.4565 10.5463 11.3680 11.6002 13.3488 13.6120 13.9381 14.0366 15.6828 15.8536 16.1740 16.2449 16.4185 16.4681 k = 0.1319 0.0762 0.2155 ( 1903 PWs) bands (ev): 0.5858 0.5862 2.9104 2.9584 2.9978 3.0127 3.4181 3.5118 3.5439 3.5976 3.6271 3.6496 5.4016 5.4672 5.7415 5.8951 6.4099 6.4794 7.4324 7.4598 7.6299 7.6727 10.5527 10.6403 11.5325 11.7636 13.3767 13.6619 13.8988 13.9991 15.6983 15.8710 16.1663 16.2527 16.4365 16.4897 k = 0.1250 0.0722 0.2041 ( 1907 PWs) bands (ev): 0.5413 0.5417 2.9142 2.9620 2.9938 3.0134 3.4240 3.5137 3.5395 3.6029 3.6252 3.6465 5.4231 5.4901 5.7335 5.8849 6.3950 6.4598 7.4523 7.4763 7.6293 7.6706 10.6458 10.7297 11.6975 11.9283 13.3953 13.7051 13.8645 13.9691 15.7081 15.8801 16.1603 16.2652 16.4701 16.5209 k = 0.1181 0.0682 0.1928 ( 1907 PWs) bands (ev): 0.4986 0.4989 2.9181 2.9655 2.9904 3.0138 3.4302 3.5157 3.5356 3.6072 3.6235 3.6433 5.4453 5.5128 5.7258 5.8743 6.3815 6.4414 7.4717 7.4924 7.6290 7.6688 10.7351 10.8142 11.8623 12.0938 13.4053 13.7396 13.8388 13.9473 15.7129 15.8817 16.1576 16.2814 16.5153 16.5603 k = 0.1111 0.0642 0.1814 ( 1899 PWs) bands (ev): 0.4577 0.4580 2.9221 2.9688 2.9874 3.0140 3.4368 3.5179 3.5323 3.6104 3.6218 3.6402 5.4679 5.5348 5.7185 5.8634 6.3695 6.4244 7.4905 7.5080 7.6291 7.6673 10.8200 10.8932 12.0261 12.2596 13.4081 13.7582 13.8299 13.9334 15.7140 15.8775 16.1588 16.3001 16.5679 16.6059 k = 0.1042 0.0601 0.1701 ( 1899 PWs) bands (ev): 0.4188 0.4190 2.9262 2.9718 2.9848 3.0138 3.4435 3.5201 3.5297 3.6126 3.6200 3.6369 5.4907 5.5560 5.7115 5.8522 6.3592 6.4088 7.5087 7.5230 7.6294 7.6661 10.8999 10.9662 12.1880 12.4248 13.4059 13.7567 13.8430 13.9263 15.7126 15.8693 16.1641 16.3201 16.6241 16.6555 k = 0.0972 0.0561 0.1588 ( 1891 PWs) bands (ev): 0.3820 0.3822 2.9303 2.9746 2.9828 3.0133 3.4505 3.5226 3.5277 3.6137 3.6181 3.6335 5.5133 5.5760 5.7051 5.8407 6.3506 6.3947 7.5261 7.5374 7.6301 7.6650 10.9741 11.0329 12.3471 12.5888 13.4015 13.7492 13.8651 13.9247 15.7101 15.8588 16.1734 16.3405 16.6807 16.7069 k = 0.0903 0.0521 0.1474 ( 1901 PWs) bands (ev): 0.3474 0.3475 2.9344 2.9770 2.9810 3.0125 3.4577 3.5250 3.5263 3.6136 3.6160 3.6300 5.5354 5.5948 5.6992 5.8290 6.3436 6.3822 7.5427 7.5513 7.6311 7.6642 11.0420 11.0929 12.5020 12.7505 13.3973 13.7448 13.8878 13.9269 15.7074 15.8471 16.1866 16.3608 16.7350 16.7575 k = 0.0833 0.0481 0.1361 ( 1893 PWs) bands (ev): 0.3150 0.3151 2.9386 2.9793 2.9797 3.0115 3.4650 3.5256 3.5277 3.6127 3.6138 3.6265 5.5568 5.6121 5.6939 5.8172 6.3383 6.3713 7.5585 7.5645 7.6323 7.6635 11.1031 11.1461 12.6518 12.9088 13.3954 13.7461 13.9094 13.9318 15.7052 15.8345 16.2041 16.3809 16.7849 16.8049 k = 0.0764 0.0441 0.1247 ( 1893 PWs) bands (ev): 0.2849 0.2850 2.9428 2.9788 2.9811 3.0103 3.4725 3.5256 3.5305 3.6108 3.6114 3.6228 5.5771 5.6279 5.6893 5.8052 6.3346 6.3621 7.5733 7.5770 7.6338 7.6628 11.1572 11.1923 12.7948 13.0623 13.3975 13.7537 13.9294 13.9385 15.7038 15.8213 16.2269 16.4012 16.8282 16.8468 k = 0.0694 0.0401 0.1134 ( 1895 PWs) bands (ev): 0.2573 0.2574 2.9469 2.9782 2.9827 3.0088 3.4800 3.5262 3.5334 3.6079 3.6088 3.6191 5.5962 5.6419 5.6855 5.7933 6.3322 6.3545 7.5870 7.5889 7.6354 7.6623 11.2040 11.2318 12.9296 13.2087 13.4052 13.7676 13.9465 13.9481 15.7030 15.8069 16.2560 16.4225 16.8638 16.8814 k = 0.0625 0.0361 0.1021 ( 1907 PWs) bands (ev): 0.2321 0.2322 2.9509 2.9778 2.9839 3.0069 3.4876 3.5273 3.5363 3.6043 3.6060 3.6152 5.6137 5.6543 5.6824 5.7815 6.3311 6.3484 7.5996 7.5999 7.6371 7.6617 11.2437 11.2648 13.0545 13.3410 13.4243 13.7874 13.9553 13.9656 15.7025 15.7909 16.2931 16.4462 16.8909 16.9072 k = 0.0556 0.0321 0.0907 ( 1899 PWs) bands (ev): 0.2095 0.2095 2.9549 2.9779 2.9850 3.0050 3.4954 3.5291 3.5393 3.6001 3.6033 3.6114 5.6297 5.6650 5.6803 5.7699 6.3309 6.3439 7.6101 7.6111 7.6389 7.6611 11.2766 11.2919 13.1674 13.4117 13.5003 13.8129 13.9648 13.9822 15.7014 15.7730 16.3397 16.4743 16.9095 16.9240 k = 0.0486 0.0281 0.0794 ( 1895 PWs) bands (ev): 0.1894 0.1894 2.9589 2.9782 2.9857 3.0029 3.5031 3.5315 3.5424 3.5954 3.6004 3.6073 5.6438 5.6740 5.6790 5.7586 6.3315 6.3406 7.6194 7.6212 7.6408 7.6605 11.3031 11.3136 13.2666 13.4366 13.6148 13.8433 13.9750 13.9978 15.6988 15.7532 16.3967 16.5090 16.9204 16.9323 k = 0.0417 0.0241 0.0680 ( 1895 PWs) bands (ev): 0.1719 0.1719 2.9627 2.9787 2.9861 3.0006 3.5107 3.5343 3.5454 3.5902 3.5975 3.6030 5.6561 5.6788 5.6815 5.7477 6.3325 6.3386 7.6277 7.6300 7.6428 7.6599 11.3239 11.3306 13.3504 13.4584 13.7222 13.8780 13.9856 14.0121 15.6938 15.7319 16.4648 16.5526 16.9249 16.9338 k = 0.0347 0.0200 0.0567 ( 1899 PWs) bands (ev): 0.1570 0.1570 2.9664 2.9793 2.9862 2.9981 3.5182 3.5375 3.5483 3.5847 3.5945 3.5987 5.6665 5.6796 5.6874 5.7373 6.3338 6.3374 7.6350 7.6375 7.6447 7.6591 11.3397 11.3437 13.4179 13.4800 13.8166 13.9156 13.9966 14.0246 15.6860 15.7099 16.5434 16.6066 16.9247 16.9307 k = 0.0278 0.0160 0.0454 ( 1903 PWs) bands (ev): 0.1448 0.1448 2.9701 2.9801 2.9861 2.9955 3.5257 3.5409 3.5509 3.5789 3.5916 3.5944 5.6747 5.6818 5.6919 5.7275 6.3350 6.3370 7.6411 7.6435 7.6466 7.6582 11.3514 11.3534 13.4693 13.5006 13.8958 13.9537 14.0077 14.0347 15.6758 15.6889 16.6306 16.6714 16.9217 16.9250 k = 0.0208 0.0120 0.0340 ( 1909 PWs) bands (ev): 0.1353 0.1353 2.9736 2.9809 2.9857 2.9927 3.5329 3.5446 3.5531 3.5729 3.5889 3.5904 5.6806 5.6857 5.6950 5.7185 6.3361 6.3370 7.6461 7.6482 7.6484 7.6572 11.3595 11.3603 13.5059 13.5188 13.9584 13.9891 14.0184 14.0418 15.6645 15.6703 16.7226 16.7446 16.9174 16.9189 k = 0.0139 0.0080 0.0227 ( 1909 PWs) bands (ev): 0.1285 0.1285 2.9771 2.9818 2.9851 2.9898 3.5401 3.5482 3.5545 3.5667 3.5866 3.5872 5.6853 5.6901 5.6967 5.7101 6.3370 6.3372 7.6498 7.6502 7.6513 7.6561 11.3647 11.3650 13.5297 13.5334 14.0037 14.0181 14.0284 14.0456 15.6540 15.6557 16.8114 16.8198 16.9132 16.9137 k = 0.0069 0.0040 0.0113 ( 1917 PWs) bands (ev): 0.1244 0.1244 2.9804 2.9827 2.9844 2.9867 3.5469 3.5513 3.5548 3.5603 3.5849 3.5850 5.6903 5.6937 5.6970 5.7026 6.3374 6.3375 7.6518 7.6523 7.6531 7.6548 11.3677 11.3677 13.5427 13.5431 14.0312 14.0368 14.0368 14.0457 15.6464 15.6466 16.8814 16.8827 16.9102 16.9103 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): 0.1230 0.1230 2.9836 2.9836 2.9836 2.9836 3.5537 3.5537 3.5537 3.5537 3.5842 3.5842 5.6960 5.6960 5.6960 5.6960 6.3376 6.3376 7.6534 7.6534 7.6534 7.6534 11.3686 11.3686 13.5466 13.5466 14.0423 14.0423 14.0423 14.0423 15.6436 15.6436 16.9091 16.9091 16.9091 16.9091 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): 0.1230 0.1230 2.9836 2.9836 2.9836 2.9836 3.5537 3.5537 3.5537 3.5537 3.5842 3.5842 5.6960 5.6960 5.6960 5.6960 6.3376 6.3376 7.6534 7.6534 7.6534 7.6534 11.3686 11.3686 13.5466 13.5466 14.0423 14.0423 14.0423 14.0423 15.6436 15.6436 16.9091 16.9091 16.9091 16.9091 k = 0.0114 0.0066 0.0046 ( 1917 PWs) bands (ev): 0.1244 0.1244 2.9802 2.9836 2.9836 2.9869 3.5467 3.5530 3.5530 3.5605 3.5849 3.5849 5.6901 5.6953 5.6953 5.7030 6.3375 6.3375 7.6518 7.6526 7.6526 7.6549 11.3677 11.3677 13.5429 13.5429 14.0340 14.0355 14.0355 14.0455 15.6466 15.6466 16.8820 16.8820 16.9101 16.9101 k = 0.0227 0.0131 0.0093 ( 1911 PWs) bands (ev): 0.1285 0.1285 2.9768 2.9835 2.9835 2.9900 3.5398 3.5512 3.5512 3.5673 3.5868 3.5868 5.6853 5.6930 5.6930 5.7109 6.3371 6.3371 7.6503 7.6504 7.6504 7.6564 11.3648 11.3648 13.5317 13.5317 14.0153 14.0153 14.0208 14.0435 15.6553 15.6553 16.8156 16.8156 16.9129 16.9130 k = 0.0341 0.0197 0.0139 ( 1905 PWs) bands (ev): 0.1353 0.1353 2.9733 2.9833 2.9833 2.9930 3.5328 3.5485 3.5485 3.5739 3.5896 3.5896 5.6816 5.6891 5.6891 5.7199 6.3366 6.3366 7.6467 7.6467 7.6487 7.6578 11.3597 11.3597 13.5130 13.5130 13.9829 13.9829 14.0027 14.0365 15.6692 15.6692 16.7335 16.7335 16.9172 16.9176 k = 0.0455 0.0262 0.0186 ( 1904 PWs) bands (ev): 0.1449 0.1449 2.9697 2.9830 2.9830 2.9958 3.5257 3.5453 3.5453 3.5802 3.5929 3.5929 5.6790 5.6835 5.6835 5.7297 6.3361 6.3361 7.6415 7.6415 7.6471 7.6593 11.3517 11.3517 13.4870 13.4870 13.9400 13.9400 13.9801 14.0245 15.6874 15.6874 16.6501 16.6501 16.9225 16.9233 k = 0.0568 0.0328 0.0232 ( 1892 PWs) bands (ev): 0.1571 0.1571 2.9662 2.9828 2.9828 2.9985 3.5189 3.5419 3.5419 3.5864 3.5965 3.5965 5.6761 5.6761 5.6775 5.7405 6.3358 6.3358 7.6350 7.6350 7.6455 7.6608 11.3400 11.3400 13.4539 13.4539 13.8885 13.8885 13.9532 14.0078 15.7091 15.7091 16.5727 16.5727 16.9282 16.9296 k = 0.0682 0.0394 0.0278 ( 1892 PWs) bands (ev): 0.1721 0.1721 2.9625 2.9824 2.9824 3.0009 3.5120 3.5384 3.5384 3.5921 3.6001 3.6001 5.6668 5.6668 5.6771 5.7521 6.3360 6.3360 7.6272 7.6272 7.6439 7.6622 11.3236 11.3236 13.4142 13.4142 13.8309 13.8309 13.9223 13.9865 15.7331 15.7331 16.5044 16.5044 16.9335 16.9356 k = 0.0795 0.0459 0.0325 ( 1892 PWs) bands (ev): 0.1897 0.1897 2.9589 2.9819 2.9819 3.0031 3.5053 3.5349 3.5349 3.5976 3.6038 3.6038 5.6554 5.6554 5.6777 5.7644 6.3368 6.3368 7.6181 7.6181 7.6423 7.6637 11.3013 11.3013 13.3686 13.3686 13.7692 13.7692 13.8878 13.9610 15.7587 15.7587 16.4466 16.4466 16.9376 16.9403 k = 0.0909 0.0525 0.0371 ( 1898 PWs) bands (ev): 0.2099 0.2099 2.9552 2.9812 2.9812 3.0051 3.4987 3.5314 3.5314 3.6026 3.6073 3.6073 5.6419 5.6419 5.6794 5.7774 6.3386 6.3386 7.6078 7.6078 7.6409 7.6653 11.2717 11.2717 13.3184 13.3184 13.7055 13.7055 13.8501 13.9315 15.7849 15.7849 16.3995 16.3995 16.9396 16.9430 k = 0.1023 0.0590 0.0418 ( 1898 PWs) bands (ev): 0.2327 0.2327 2.9517 2.9806 2.9806 3.0069 3.4924 3.5280 3.5280 3.6073 3.6106 3.6106 5.6262 5.6262 5.6822 5.7910 6.3416 6.3416 7.5964 7.5964 7.6396 7.6670 11.2336 11.2336 13.2654 13.2654 13.6411 13.6411 13.8096 13.8985 15.8112 15.8112 16.3627 16.3627 16.9387 16.9425 k = 0.1136 0.0656 0.0464 ( 1889 PWs) bands (ev): 0.2580 0.2580 2.9482 2.9800 2.9800 3.0085 3.4863 3.5249 3.5249 3.6117 3.6139 3.6139 5.6082 5.6082 5.6860 5.8052 6.3460 6.3460 7.5840 7.5840 7.6384 7.6688 11.1856 11.1856 13.2116 13.2116 13.5770 13.5770 13.7665 13.8622 15.8374 15.8374 16.3353 16.3353 16.9343 16.9382 k = 0.1250 0.0722 0.0510 ( 1889 PWs) bands (ev): 0.2858 0.2858 2.9448 2.9792 2.9792 3.0098 3.4805 3.5219 3.5219 3.6156 3.6169 3.6169 5.5881 5.5881 5.6907 5.8197 6.3519 6.3519 7.5706 7.5706 7.6374 7.6708 11.1267 11.1267 13.1590 13.1590 13.5138 13.5138 13.7213 13.8231 15.8632 15.8632 16.3158 16.3158 16.9258 16.9293 k = 0.1364 0.0787 0.0557 ( 1889 PWs) bands (ev): 0.3160 0.3160 2.9414 2.9785 2.9785 3.0108 3.4750 3.5191 3.5191 3.6190 3.6195 3.6195 5.5658 5.5658 5.6963 5.8346 6.3595 6.3595 7.5564 7.5564 7.6367 7.6730 11.0561 11.0561 13.1095 13.1095 13.4516 13.4516 13.6743 13.7814 15.8886 15.8886 16.3030 16.3030 16.9128 16.9154 k = 0.1477 0.0853 0.0603 ( 1901 PWs) bands (ev): 0.3487 0.3487 2.9381 2.9775 2.9775 3.0115 3.4698 3.5164 3.5164 3.6218 3.6218 3.6219 5.5417 5.5417 5.7028 5.8498 6.3688 6.3688 7.5414 7.5414 7.6362 7.6753 10.9736 10.9736 13.0644 13.0644 13.3908 13.3908 13.6258 13.7375 15.9135 15.9135 16.2956 16.2956 16.8952 16.8964 k = 0.1591 0.0919 0.0649 ( 1901 PWs) bands (ev): 0.3836 0.3836 2.9351 2.9766 2.9766 3.0121 3.4650 3.5141 3.5141 3.6238 3.6238 3.6244 5.5157 5.5157 5.7102 5.8651 6.3797 6.3797 7.5257 7.5257 7.6361 7.6779 10.8796 10.8796 13.0241 13.0241 13.3318 13.3318 13.5762 13.6916 15.9379 15.9379 16.2922 16.2922 16.8724 16.8730 k = 0.1705 0.0984 0.0696 ( 1901 PWs) bands (ev): 0.4207 0.4207 2.9322 2.9757 2.9757 3.0123 3.4606 3.5119 3.5119 3.6254 3.6254 3.6264 5.4884 5.4884 5.7183 5.8804 6.3924 6.3924 7.5094 7.5094 7.6364 7.6808 10.7747 10.7747 12.9882 12.9882 13.2751 13.2751 13.5256 13.6442 15.9615 15.9615 16.2918 16.2918 16.8436 16.8465 k = 0.1818 0.1050 0.0742 ( 1907 PWs) bands (ev): 0.4600 0.4600 2.9294 2.9746 2.9746 3.0123 3.4565 3.5099 3.5099 3.6265 3.6265 3.6279 5.4598 5.4598 5.7271 5.8956 6.4065 6.4065 7.4925 7.4925 7.6371 7.6840 10.6600 10.6600 12.9554 12.9554 13.2219 13.2219 13.4744 13.5955 15.9838 15.9838 16.2938 16.2938 16.8106 16.8159 k = 0.1932 0.1115 0.0789 ( 1901 PWs) bands (ev): 0.5013 0.5013 2.9268 2.9736 2.9736 3.0121 3.4530 3.5081 3.5081 3.6272 3.6272 3.6291 5.4304 5.4304 5.7365 5.9107 6.4222 6.4222 7.4750 7.4750 7.6383 7.6874 10.5369 10.5369 12.9237 12.9237 13.1737 13.1737 13.4228 13.5458 16.0043 16.0043 16.2974 16.2974 16.7739 16.7818 k = 0.2045 0.1181 0.0835 ( 1901 PWs) bands (ev): 0.5446 0.5446 2.9245 2.9725 2.9725 3.0116 3.4499 3.5065 3.5065 3.6274 3.6274 3.6296 5.4005 5.4005 5.7465 5.9255 6.4392 6.4392 7.4571 7.4571 7.6400 7.6913 10.4070 10.4070 12.8903 12.8903 13.1325 13.1325 13.3711 13.4952 16.0222 16.0222 16.3022 16.3022 16.7342 16.7448 k = 0.2159 0.1247 0.0881 ( 1901 PWs) bands (ev): 0.5896 0.5896 2.9223 2.9712 2.9712 3.0109 3.4472 3.5051 3.5051 3.6270 3.6270 3.6297 5.3705 5.3705 5.7570 5.9400 6.4573 6.4573 7.4388 7.4388 7.6423 7.6954 10.2716 10.2716 12.8528 12.8528 13.1000 13.1000 13.3194 13.4441 16.0368 16.0368 16.3080 16.3080 16.6921 16.7052 k = 0.2273 0.1312 0.0928 ( 1910 PWs) bands (ev): 0.6364 0.6364 2.9202 2.9699 2.9699 3.0098 3.4449 3.5037 3.5037 3.6259 3.6259 3.6292 5.3407 5.3407 5.7679 5.9539 6.4764 6.4764 7.4200 7.4200 7.6452 7.6999 10.1322 10.1322 12.8101 12.8101 13.0767 13.0767 13.2680 13.3927 16.0477 16.0477 16.3141 16.3141 16.6482 16.6637 k = 0.2386 0.1378 0.0974 ( 1904 PWs) bands (ev): 0.6848 0.6848 2.9185 2.9685 2.9685 3.0086 3.4432 3.5025 3.5025 3.6243 3.6243 3.6284 5.3116 5.3116 5.7792 5.9673 6.4963 6.4963 7.4008 7.4008 7.6487 7.7047 9.9902 9.9902 12.7623 12.7623 13.0615 13.0615 13.2171 13.3412 16.0547 16.0547 16.3200 16.3200 16.6031 16.6208 k = 0.2500 0.1443 0.1021 ( 1898 PWs) bands (ev): 0.7346 0.7346 2.9170 2.9670 2.9670 3.0071 3.4419 3.5014 3.5014 3.6220 3.6220 3.6270 5.2834 5.2834 5.7909 5.9800 6.5169 6.5169 7.3813 7.3813 7.6529 7.7099 9.8467 9.8467 12.7109 12.7109 13.0529 13.0529 13.1669 13.2898 16.0580 16.0580 16.3250 16.3250 16.5574 16.5771 k = 0.2614 0.1509 0.1067 ( 1904 PWs) bands (ev): 0.7856 0.7856 2.9157 2.9653 2.9653 3.0055 3.4410 3.5002 3.5002 3.6189 3.6189 3.6251 5.2566 5.2566 5.8027 5.9920 6.5378 6.5378 7.3615 7.3615 7.6577 7.7154 9.7029 9.7029 12.6571 12.6571 13.0489 13.0489 13.1174 13.2387 16.0579 16.0579 16.3285 16.3285 16.5116 16.5329 k = 0.2727 0.1575 0.1113 ( 1904 PWs) bands (ev): 0.8377 0.8377 2.9147 2.9634 2.9634 3.0036 3.4406 3.4989 3.4989 3.6151 3.6151 3.6228 5.2316 5.2316 5.8148 6.0032 6.5589 6.5589 7.3412 7.3412 7.6631 7.7212 9.5598 9.5598 12.6021 12.6021 13.0481 13.0481 13.0690 13.1881 16.0548 16.0548 16.3300 16.3300 16.4661 16.4887 k = 0.2841 0.1640 0.1160 ( 1901 PWs) bands (ev): 0.8907 0.8907 2.9140 2.9613 2.9613 3.0016 3.4408 3.4977 3.4977 3.6106 3.6106 3.6201 5.2086 5.2086 5.8270 6.0135 6.5799 6.5799 7.3207 7.3207 7.6692 7.7273 9.4184 9.4184 12.5468 12.5468 13.0219 13.0494 13.0494 13.1382 16.0494 16.0494 16.3292 16.3292 16.4212 16.4448 k = 0.2955 0.1706 0.1206 ( 1901 PWs) bands (ev): 0.9444 0.9444 2.9135 2.9589 2.9589 2.9993 3.4413 3.4962 3.4962 3.6053 3.6053 3.6170 5.1879 5.1879 5.8392 6.0228 6.6007 6.6007 7.2997 7.2997 7.6759 7.7336 9.2797 9.2797 12.4918 12.4918 12.9760 13.0521 13.0521 13.0892 16.0422 16.0422 16.3262 16.3262 16.3774 16.4017 k = 0.3068 0.1771 0.1253 ( 1901 PWs) bands (ev): 0.9985 0.9985 2.9133 2.9562 2.9562 2.9969 3.4424 3.4945 3.4945 3.5994 3.5994 3.6135 5.1699 5.1699 5.8515 6.0312 6.6208 6.6208 7.2783 7.2783 7.6831 7.7401 9.1444 9.1444 12.4377 12.4377 12.9317 13.0413 13.0557 13.0557 16.0335 16.0335 16.3211 16.3211 16.3348 16.3595 k = 0.3182 0.1837 0.1299 ( 1898 PWs) bands (ev): 1.0528 1.0528 2.9133 2.9531 2.9531 2.9944 3.4438 3.4924 3.4924 3.5929 3.5929 3.6095 5.1547 5.1547 5.8637 6.0386 6.6401 6.6401 7.2565 7.2565 7.6908 7.7467 9.0135 9.0135 12.3847 12.3847 12.8891 12.9946 13.0597 13.0597 16.0238 16.0238 16.2938 16.3141 16.3141 16.3186 k = 0.3295 0.1903 0.1345 ( 1898 PWs) bands (ev): 1.1071 1.1071 2.9136 2.9497 2.9497 2.9917 3.4457 3.4899 3.4899 3.5859 3.5859 3.6053 5.1426 5.1426 5.8759 6.0449 6.6581 6.6581 7.2343 7.2343 7.6990 7.7533 8.8878 8.8878 12.3333 12.3333 12.8483 12.9493 13.0639 13.0639 16.0134 16.0134 16.2546 16.2792 16.3057 16.3057 k = 0.3409 0.1968 0.1392 ( 1898 PWs) bands (ev): 1.1609 1.1609 2.9141 2.9458 2.9458 2.9889 3.4481 3.4869 3.4869 3.5787 3.5787 3.6006 5.1336 5.1336 5.8879 6.0502 6.6746 6.6746 7.2117 7.2117 7.7075 7.7599 8.7680 8.7680 12.2838 12.2838 12.8095 12.9057 13.0681 13.0681 16.0027 16.0027 16.2174 16.2415 16.2961 16.2961 k = 0.3523 0.2034 0.1438 ( 1898 PWs) bands (ev): 1.2141 1.2141 2.9148 2.9415 2.9415 2.9859 3.4508 3.4832 3.4832 3.5714 3.5714 3.5957 5.1279 5.1279 5.8998 6.0545 6.6890 6.6890 7.1890 7.1890 7.7162 7.7665 8.6549 8.6549 12.2365 12.2365 12.7729 12.8638 13.0721 13.0721 15.9919 15.9919 16.1822 16.2056 16.2858 16.2858 k = 0.3636 0.2099 0.1485 ( 1895 PWs) bands (ev): 1.2662 1.2662 2.9159 2.9366 2.9366 2.9829 3.4540 3.4787 3.4787 3.5643 3.5643 3.5905 5.1252 5.1252 5.9115 6.0577 6.7011 6.7011 7.1663 7.1663 7.7251 7.7728 8.5492 8.5492 12.1915 12.1915 12.7386 12.8239 13.0760 13.0760 15.9812 15.9812 16.1494 16.1718 16.2751 16.2751 k = 0.3750 0.2165 0.1531 ( 1901 PWs) bands (ev): 1.3169 1.3169 2.9171 2.9313 2.9313 2.9798 3.4575 3.4733 3.4733 3.5577 3.5577 3.5850 5.1256 5.1256 5.9230 6.0599 6.7102 6.7102 7.1440 7.1440 7.7341 7.7789 8.4516 8.4516 12.1492 12.1492 12.7067 12.7861 13.0795 13.0795 15.9708 15.9708 16.1189 16.1402 16.2643 16.2643 k = 0.3864 0.2231 0.1577 ( 1901 PWs) bands (ev): 1.3658 1.3658 2.9185 2.9255 2.9255 2.9765 3.4614 3.4671 3.4671 3.5517 3.5517 3.5793 5.1288 5.1288 5.9342 6.0612 6.7158 6.7158 7.1226 7.1226 7.7430 7.7847 8.3627 8.3627 12.1097 12.1097 12.6774 12.7506 13.0827 13.0827 15.9609 15.9609 16.0909 16.1109 16.2537 16.2537 k = 0.3977 0.2296 0.1624 ( 1904 PWs) bands (ev): 1.4123 1.4123 2.9194 2.9194 2.9202 2.9732 3.4603 3.4603 3.4656 3.5466 3.5466 3.5733 5.1345 5.1345 5.9452 6.0614 6.7175 6.7175 7.1027 7.1027 7.7517 7.7900 8.2827 8.2827 12.0733 12.0733 12.6509 12.7175 13.0856 13.0856 15.9515 15.9515 16.0655 16.0839 16.2435 16.2435 k = 0.4091 0.2362 0.1670 ( 1904 PWs) bands (ev): 1.4560 1.4560 2.9129 2.9129 2.9221 2.9699 3.4530 3.4530 3.4702 3.5422 3.5422 3.5672 5.1422 5.1422 5.9558 6.0607 6.7151 6.7151 7.0849 7.0849 7.7601 7.7948 8.2120 8.2120 12.0402 12.0402 12.6272 12.6871 13.0882 13.0882 15.9428 15.9428 16.0427 16.0595 16.2339 16.2339 k = 0.4205 0.2427 0.1716 ( 1898 PWs) bands (ev): 1.4964 1.4964 2.9063 2.9063 2.9243 2.9666 3.4456 3.4456 3.4751 3.5386 3.5386 3.5610 5.1515 5.1515 5.9661 6.0592 6.7087 6.7087 7.0699 7.0699 7.7682 7.7989 8.1506 8.1506 12.0105 12.0105 12.6065 12.6594 13.0904 13.0904 15.9350 15.9350 16.0227 16.0376 16.2252 16.2252 k = 0.4318 0.2493 0.1763 ( 1898 PWs) bands (ev): 1.5330 1.5330 2.8998 2.8998 2.9265 2.9632 3.4383 3.4383 3.4802 3.5358 3.5358 3.5547 5.1616 5.1616 5.9761 6.0568 6.6988 6.6988 7.0578 7.0578 7.7757 7.8024 8.0985 8.0985 11.9844 11.9844 12.5888 12.6345 13.0923 13.0923 15.9280 15.9280 16.0053 16.0184 16.2174 16.2174 k = 0.4432 0.2559 0.1809 ( 1901 PWs) bands (ev): 1.5652 1.5652 2.8935 2.8935 2.9290 2.9598 3.4316 3.4316 3.4856 3.5335 3.5335 3.5482 5.1720 5.1720 5.9856 6.0535 6.6866 6.6866 7.0487 7.0487 7.7826 7.8051 8.0552 8.0552 11.9620 11.9620 12.5743 12.6127 13.0939 13.0939 15.9220 15.9220 15.9908 16.0019 16.2106 16.2106 k = 0.4545 0.2624 0.1856 ( 1904 PWs) bands (ev): 1.5925 1.5925 2.8878 2.8878 2.9315 2.9564 3.4257 3.4257 3.4912 3.5317 3.5317 3.5416 5.1819 5.1819 5.9948 6.0495 6.6735 6.6735 7.0421 7.0421 7.7888 7.8070 8.0206 8.0206 11.9436 11.9436 12.5631 12.5939 13.0952 13.0952 15.9171 15.9171 15.9791 15.9880 16.2049 16.2049 k = 0.4659 0.2690 0.1902 ( 1904 PWs) bands (ev): 1.6143 1.6143 2.8830 2.8830 2.9343 2.9530 3.4208 3.4208 3.4971 3.5304 3.5304 3.5351 5.1905 5.1905 6.0035 6.0448 6.6611 6.6611 7.0376 7.0376 7.7943 7.8080 7.9942 7.9942 11.9291 11.9291 12.5551 12.5784 13.0962 13.0962 15.9131 15.9131 15.9702 15.9770 16.2005 16.2005 k = 0.4773 0.2756 0.1948 ( 1904 PWs) bands (ev): 1.6302 1.6302 2.8794 2.8794 2.9372 2.9497 3.4172 3.4172 3.5031 3.5286 3.5294 3.5294 5.1972 5.1972 6.0117 6.0394 6.6510 6.6510 7.0348 7.0348 7.7989 7.8081 7.9756 7.9756 11.9187 11.9187 12.5505 12.5661 13.0969 13.0969 15.9103 15.9103 15.9642 15.9687 16.1972 16.1972 k = 0.4886 0.2821 0.1995 ( 1898 PWs) bands (ev): 1.6399 1.6399 2.8771 2.8771 2.9402 2.9465 3.4150 3.4150 3.5093 3.5221 3.5290 3.5290 5.2015 5.2015 6.0195 6.0333 6.6444 6.6444 7.0332 7.0332 7.8026 7.8072 7.9646 7.9646 11.9125 11.9125 12.5493 12.5571 13.0973 13.0973 15.9086 15.9086 15.9611 15.9633 16.1953 16.1953 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): 1.6432 1.6432 2.8764 2.8764 2.9433 2.9433 3.4143 3.4143 3.5157 3.5157 3.5288 3.5288 5.2030 5.2030 6.0267 6.0267 6.6421 6.6421 7.0328 7.0328 7.8054 7.8054 7.9610 7.9610 11.9104 11.9104 12.5515 12.5515 13.0974 13.0974 15.9080 15.9080 15.9608 15.9608 16.1946 16.1946 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): 1.6432 1.6432 2.8764 2.8764 2.9433 2.9433 3.4143 3.4143 3.5157 3.5157 3.5288 3.5288 5.2030 5.2030 6.0267 6.0267 6.6421 6.6421 7.0328 7.0328 7.8054 7.8054 7.9610 7.9610 11.9104 11.9104 12.5515 12.5515 13.0974 13.0974 15.9080 15.9080 15.9608 15.9608 16.1946 16.1946 k = 0.5040 0.2770 0.2107 ( 1898 PWs) bands (ev): 1.6430 1.6433 2.8705 2.8822 2.9438 2.9440 3.4066 3.4224 3.5140 3.5141 3.5311 3.5319 5.1998 5.2077 6.0266 6.0267 6.6379 6.6467 7.0314 7.0336 7.8051 7.8051 7.9549 7.9664 11.8862 11.9080 12.5249 12.5262 13.1252 13.1301 15.8658 15.8908 15.9428 15.9506 16.2504 16.2584 k = 0.5081 0.2654 0.2173 ( 1902 PWs) bands (ev): 1.6426 1.6434 2.8651 2.8874 2.9451 2.9462 3.4000 3.4303 3.5106 3.5116 3.5370 3.5384 5.1980 5.2140 6.0265 6.0266 6.6340 6.6515 7.0296 7.0340 7.8042 7.8043 7.9480 7.9711 11.8347 11.8796 12.4581 12.4662 13.2010 13.2066 15.7759 15.8095 15.9536 15.9626 16.3732 16.3797 k = 0.5121 0.2538 0.2239 ( 1902 PWs) bands (ev): 1.6422 1.6435 2.8607 2.8914 2.9469 2.9504 3.3948 3.4371 3.5071 3.5101 3.5455 3.5467 5.1978 5.2216 6.0261 6.0264 6.6306 6.6565 7.0274 7.0338 7.8028 7.8030 7.9404 7.9751 11.7563 11.8254 12.3743 12.3942 13.3012 13.3042 15.6811 15.7196 15.9817 15.9912 16.5190 16.5216 k = 0.5161 0.2421 0.2305 ( 1904 PWs) bands (ev): 1.6416 1.6435 2.8575 2.8940 2.9490 2.9568 3.3914 3.4422 3.5037 3.5100 3.5562 3.5563 5.1990 5.2307 6.0256 6.0264 6.6275 6.6616 7.0248 7.0332 7.8007 7.8011 7.9321 7.9785 11.6534 11.7462 12.2878 12.3215 13.4088 13.4105 15.5945 15.6369 16.0217 16.0321 16.6753 16.6769 k = 0.5202 0.2305 0.2370 ( 1900 PWs) bands (ev): 1.6408 1.6434 2.8557 2.8951 2.9515 2.9648 3.3900 3.4455 3.5007 3.5114 3.5668 3.5699 5.2017 5.2412 6.0248 6.0264 6.6250 6.6668 7.0219 7.0321 7.7979 7.7986 7.9233 7.9814 11.5304 11.6445 12.2044 12.2509 13.5130 13.5201 15.5207 15.5659 16.0726 16.0838 16.8379 16.8434 k = 0.5242 0.2188 0.2436 ( 1899 PWs) bands (ev): 1.6399 1.6434 2.8552 2.8952 2.9540 2.9741 3.3907 3.4471 3.4979 3.5136 3.5785 3.5862 5.2058 5.2530 6.0238 6.0267 6.6230 6.6720 7.0189 7.0306 7.7943 7.7954 7.9140 7.9838 11.3924 11.5246 12.1245 12.1817 13.6120 13.6242 15.4629 15.5091 16.1336 16.1454 17.0078 17.0163 k = 0.5282 0.2072 0.2502 ( 1899 PWs) bands (ev): 1.6388 1.6434 2.8563 2.8945 2.9567 2.9838 3.3935 3.4475 3.4957 3.5164 3.5912 3.6051 5.2112 5.2659 6.0226 6.0271 6.6214 6.6770 7.0159 7.0288 7.7899 7.7912 7.9045 7.9860 11.2438 11.3912 12.0468 12.1125 13.7023 13.7183 15.4238 15.4687 16.2040 16.2161 17.1834 17.1941 k = 0.5323 0.1956 0.2568 ( 1899 PWs) bands (ev): 1.6375 1.6433 2.8589 2.8934 2.9595 2.9937 3.3983 3.4473 3.4941 3.5193 3.6051 3.6263 5.2180 5.2800 6.0211 6.0280 6.6204 6.6817 7.0130 7.0267 7.7847 7.7857 7.8952 7.9878 11.0881 11.2485 11.9695 12.0420 13.7809 13.7989 15.4059 15.4468 16.2830 16.2950 17.3635 17.3751 k = 0.5363 0.1839 0.2634 ( 1902 PWs) bands (ev): 1.6359 1.6433 2.8629 2.8919 2.9624 3.0032 3.4047 3.4469 3.4936 3.5222 3.6204 3.6496 5.2261 5.2950 6.0194 6.0294 6.6198 6.6860 7.0104 7.0245 7.7785 7.7786 7.8864 7.9896 10.9278 11.0997 11.8915 11.9696 13.8455 13.8629 15.4115 15.4449 16.3697 16.3813 17.5462 17.5573 k = 0.5403 0.1723 0.2700 ( 1896 PWs) bands (ev): 1.6342 1.6432 2.8683 2.8904 2.9654 3.0123 3.4120 3.4466 3.4945 3.5251 3.6373 3.6748 5.2353 5.3108 6.0173 6.0314 6.6197 6.6897 7.0084 7.0223 7.7694 7.7713 7.8788 7.9914 10.7649 10.9473 11.8122 11.8950 13.8947 13.9088 15.4414 15.4638 16.4635 16.4742 17.7297 17.7384 k = 0.5444 0.1606 0.2766 ( 1892 PWs) bands (ev): 1.6323 1.6432 2.8748 2.8888 2.9686 3.0208 3.4193 3.4464 3.4976 3.5279 3.6560 3.7016 5.2457 5.3272 6.0150 6.0342 6.6200 6.6925 7.0072 7.0202 7.7575 7.7630 7.8727 7.9933 10.6009 10.7931 11.7313 11.8182 13.9280 13.9367 15.4949 15.5032 16.5635 16.5729 17.9109 17.9151 k = 0.5484 0.1490 0.2831 ( 1894 PWs) bands (ev): 1.6302 1.6431 2.8824 2.8872 2.9721 3.0285 3.4255 3.4465 3.5034 3.5306 3.6766 3.7298 5.2571 5.3441 6.0123 6.0380 6.6205 6.6942 7.0070 7.0184 7.7429 7.7536 7.8684 7.9955 10.4371 10.6385 11.6489 11.7395 13.9466 13.9484 15.5615 15.5698 16.6689 16.6766 18.0832 18.0858 k = 0.5524 0.1374 0.2897 ( 1892 PWs) bands (ev): 1.6279 1.6430 2.8857 2.8906 2.9760 3.0355 3.4300 3.4470 3.5121 3.5332 3.6997 3.7594 5.2695 5.3610 6.0093 6.0431 6.6212 6.6947 7.0081 7.0171 7.7253 7.7431 7.8660 7.9981 10.2746 10.4847 11.5652 11.6590 13.9465 13.9523 15.6361 15.6627 16.7792 16.7847 18.2369 18.2477 k = 0.5565 0.1257 0.2963 ( 1895 PWs) bands (ev): 1.6254 1.6428 2.8842 2.8992 2.9804 3.0418 3.4325 3.4478 3.5233 3.5357 3.7254 3.7902 5.2827 5.3779 6.0059 6.0496 6.6219 6.6936 7.0106 7.0165 7.7050 7.7313 7.8654 8.0011 10.1142 10.3328 11.4804 11.5772 13.9342 13.9475 15.7238 15.7701 16.8935 16.8964 18.3685 18.3867 k = 0.5605 0.1141 0.3029 ( 1896 PWs) bands (ev): 1.6228 1.6426 2.8829 2.9078 2.9856 3.0475 3.4336 3.4491 3.5362 3.5382 3.7541 3.8222 5.2967 5.3944 6.0020 6.0578 6.6224 6.6907 7.0146 7.0168 7.6820 7.7182 7.8665 8.0046 9.9569 10.1837 11.3948 11.4943 13.9140 13.9344 15.8212 15.8882 17.0109 17.0113 18.4699 18.4884 k = 0.5645 0.1024 0.3095 ( 1896 PWs) bands (ev): 1.6201 1.6423 2.8817 2.9160 2.9919 3.0526 3.4336 3.4507 3.5408 3.5500 3.7857 3.8552 5.3113 5.4101 5.9974 6.0680 6.6226 6.6860 7.0183 7.0203 7.6566 7.7040 7.8691 8.0087 9.8037 10.0384 11.3088 11.4108 13.8884 13.9152 15.9251 16.0141 17.1276 17.1318 18.5351 18.5393 k = 0.5685 0.0908 0.3161 ( 1894 PWs) bands (ev): 1.6173 1.6420 2.8806 2.9233 2.9994 3.0574 3.4330 3.4526 3.5434 3.5638 3.8204 3.8893 5.3266 5.4248 5.9921 6.0805 6.6222 6.6792 7.0213 7.0276 7.6290 7.6885 7.8729 8.0133 9.6553 9.8977 11.2227 11.3270 13.8590 13.8916 16.0323 16.1445 17.2456 17.2543 18.5382 18.5649 k = 0.5726 0.0792 0.3226 ( 1886 PWs) bands (ev): 1.6144 1.6415 2.8797 2.9295 3.0084 3.0619 3.4320 3.4550 3.5461 3.5774 3.8579 3.9242 5.3424 5.4381 5.9857 6.0954 6.6213 6.6703 7.0261 7.0362 7.5994 7.6719 7.8779 8.0184 9.5127 9.7625 11.1368 11.2433 13.8270 13.8648 16.1395 16.2764 17.3640 17.3782 18.4999 18.5669 k = 0.5766 0.0675 0.3292 ( 1884 PWs) bands (ev): 1.6114 1.6410 2.8789 2.9344 3.0185 3.0660 3.4309 3.4576 3.5488 3.5902 3.8980 3.9600 5.3587 5.4499 5.9781 6.1130 6.6196 6.6594 7.0327 7.0457 7.5683 7.6543 7.8839 8.0237 9.3767 9.6337 11.0515 11.1600 13.7935 13.8359 16.2435 16.4066 17.4817 17.5026 18.4432 18.5526 k = 0.5806 0.0559 0.3358 ( 1886 PWs) bands (ev): 1.6084 1.6403 2.8782 2.9381 3.0296 3.0698 3.4297 3.4603 3.5517 3.6023 3.9402 3.9963 5.3754 5.4599 5.9688 6.1333 6.6173 6.6463 7.0415 7.0557 7.5361 7.6359 7.8907 8.0292 9.2485 9.5122 10.9671 11.0773 13.7590 13.8057 16.3407 16.5310 17.5974 17.6265 18.3838 18.5331 k = 0.5847 0.0442 0.3424 ( 1886 PWs) bands (ev): 1.6054 1.6395 2.8777 2.9409 3.0414 3.0734 3.4287 3.4632 3.5547 3.6136 3.9842 4.0331 5.3925 5.4679 5.9575 6.1564 6.6143 6.6311 7.0526 7.0654 7.5038 7.6167 7.8979 8.0344 9.1288 9.3989 10.8839 10.9958 13.7241 13.7746 16.4272 16.6443 17.7095 17.7489 18.3337 18.5176 k = 0.5887 0.0326 0.3490 ( 1888 PWs) bands (ev): 1.6023 1.6385 2.8774 2.9429 3.0535 3.0768 3.4278 3.4663 3.5579 3.6240 4.0293 4.0702 5.4099 5.4738 5.9437 6.1820 6.6110 6.6139 7.0659 7.0736 7.4724 7.5971 7.9054 8.0389 9.0186 9.2950 10.8022 10.9156 13.6890 13.7430 16.4994 16.7401 17.8164 17.8685 18.3037 18.5139 k = 0.5927 0.0210 0.3556 ( 1888 PWs) bands (ev): 1.5993 1.6374 2.8772 2.9442 3.0656 3.0801 3.4271 3.4694 3.5612 3.6336 4.0753 4.1072 5.4277 5.4778 5.9269 6.2097 6.5948 6.6076 7.0792 7.0815 7.4437 7.5774 7.9127 8.0423 8.9190 9.2013 10.7224 10.8370 13.6539 13.7113 16.5538 16.8110 17.9169 17.9837 18.3027 18.5279 k = 0.5968 0.0093 0.3622 ( 1886 PWs) bands (ev): 1.5962 1.6360 2.8772 2.9450 3.0776 3.0833 3.4266 3.4725 3.5649 3.6425 4.1213 4.1439 5.4458 5.4797 5.9069 6.2388 6.5744 6.6046 7.0805 7.0993 7.4196 7.5579 7.9193 8.0439 8.8308 9.1189 10.6447 10.7605 13.6190 13.6795 16.5878 16.8511 18.0134 18.0932 18.3340 18.5634 k = 0.6008-0.0023 0.3687 ( 1890 PWs) bands (ev): 1.5930 1.6343 2.8773 2.9453 3.0864 3.0891 3.4265 3.4755 3.5687 3.6505 4.1666 4.1797 5.4641 5.4798 5.8832 6.2681 6.5536 6.6024 7.0763 7.1189 7.4021 7.5391 7.9246 8.0430 8.7550 9.0487 10.5695 10.6862 13.5842 13.6479 16.6006 16.8582 18.1119 18.1964 18.3926 18.6207 k = 0.6048-0.0140 0.3753 ( 1890 PWs) bands (ev): 1.5898 1.6324 2.8776 2.9454 3.0893 3.0999 3.4266 3.4784 3.5729 3.6578 4.2107 4.2142 5.4782 5.4826 5.8561 6.2952 6.5343 6.6014 7.0660 7.1402 7.3924 7.5214 7.9279 8.0389 8.6923 8.9916 10.4972 10.6145 13.5498 13.6164 16.5930 16.8352 18.2179 18.2938 18.4680 18.6966 k = 0.6089-0.0256 0.3819 ( 1890 PWs) bands (ev): 1.5866 1.6301 2.8781 2.9452 3.0922 3.1101 3.4271 3.4811 3.5772 3.6643 4.2470 4.2524 5.4750 5.5010 5.8256 6.3158 6.5208 6.6019 7.0506 7.1628 7.3904 7.5055 7.9287 8.0312 8.6435 8.9482 10.4280 10.5458 13.5156 13.5852 16.5673 16.7883 18.3321 18.3863 18.5503 18.7848 k = 0.6129-0.0372 0.3885 ( 1889 PWs) bands (ev): 1.5832 1.6274 2.8789 2.9448 3.0951 3.1194 3.4279 3.4838 3.5818 3.6701 4.2772 4.2910 5.4707 5.5189 5.7928 6.3239 6.5188 6.6041 7.0322 7.1859 7.3946 7.4922 7.9267 8.0196 8.6089 8.9185 10.3623 10.4804 13.4816 13.5543 16.5263 16.7243 18.4511 18.4743 18.6323 18.8775 k = 0.6169-0.0489 0.3951 ( 1891 PWs) bands (ev): 1.5797 1.6244 2.8798 2.9443 3.0978 3.1278 3.4290 3.4862 3.5865 3.6752 4.3041 4.3252 5.4653 5.5352 5.7595 6.3162 6.5318 6.6081 7.0135 7.2088 7.4033 7.4823 7.9218 8.0043 8.5883 8.9023 10.3004 10.4185 13.4478 13.5236 16.4734 16.6487 18.5571 18.5696 18.7086 18.9664 k = 0.6210-0.0605 0.4017 ( 1890 PWs) bands (ev): 1.5760 1.6208 2.8809 2.9437 3.1005 3.1353 3.4304 3.4886 3.5915 3.6796 4.3270 4.3541 5.4594 5.5473 5.7287 6.2960 6.5564 6.6140 6.9970 7.2305 7.4145 7.4771 7.9149 7.9858 8.5811 8.8989 10.2428 10.3605 13.4142 13.4932 16.4115 16.5659 18.6330 18.6809 18.7761 19.0443 k = 0.6250-0.0722 0.4082 ( 1890 PWs) bands (ev): 1.5720 1.6167 2.8823 2.9430 3.1031 3.1417 3.4321 3.4908 3.5965 3.6834 4.3450 4.3763 5.4532 5.5509 5.7064 6.2694 6.5866 6.6215 6.9848 7.2495 7.4267 7.4780 7.9069 7.9649 8.5862 8.9073 10.1897 10.3068 13.3807 13.4630 16.3430 16.4788 18.7001 18.7746 18.8376 19.1065 k = 0.6250-0.0722 0.4082 ( 1890 PWs) bands (ev): 1.5720 1.6167 2.8823 2.9430 3.1031 3.1417 3.4321 3.4908 3.5965 3.6834 4.3450 4.3763 5.4532 5.5509 5.7064 6.2694 6.5866 6.6215 6.9848 7.2495 7.4267 7.4780 7.9069 7.9649 8.5862 8.9073 10.1897 10.3068 13.3807 13.4630 16.3430 16.4788 18.7001 18.7746 18.8376 19.1065 k = 0.6181-0.0682 0.4196 ( 1890 PWs) bands (ev): 1.5720 1.6169 2.8823 2.9429 3.1027 3.1420 3.4326 3.4909 3.5964 3.6828 4.3452 4.3772 5.4534 5.5537 5.7067 6.2686 6.5823 6.6252 6.9837 7.2507 7.4206 7.4842 7.9053 7.9679 8.5844 8.9054 10.1805 10.3016 13.3920 13.4775 16.3442 16.4805 18.5965 18.7420 18.8860 19.1538 k = 0.6111-0.0642 0.4309 ( 1891 PWs) bands (ev): 1.5721 1.6175 2.8825 2.9427 3.1016 3.1427 3.4342 3.4910 3.5959 3.6810 4.3461 4.3797 5.4540 5.5618 5.7074 6.2660 6.5726 6.6330 6.9806 7.2540 7.4072 7.4978 7.9013 7.9759 8.5789 8.8996 10.1541 10.2857 13.4261 13.5200 16.3477 16.4854 18.4445 18.6083 18.9713 19.2250 k = 0.6042-0.0601 0.4423 ( 1889 PWs) bands (ev): 1.5722 1.6185 2.8829 2.9423 3.0999 3.1438 3.4367 3.4913 3.5951 3.6782 4.3475 4.3838 5.4556 5.5748 5.7086 6.2619 6.5605 6.6413 6.9762 7.2592 7.3915 7.5136 7.8968 7.9874 8.5698 8.8899 10.1133 10.2594 13.4827 13.5880 16.3535 16.4936 18.2815 18.4505 19.0266 19.2598 k = 0.5972-0.0561 0.4536 ( 1883 PWs) bands (ev): 1.5723 1.6197 2.8834 2.9418 3.0978 3.1451 3.4403 3.4918 3.5941 3.6743 4.3496 4.3893 5.4584 5.5921 5.7106 6.2563 6.5471 6.6485 6.9715 7.2656 7.3754 7.5295 7.8930 8.0013 8.5570 8.8761 10.0617 10.2234 13.5609 13.6781 16.3615 16.5050 18.1134 18.2839 19.0469 19.2474 k = 0.5903-0.0521 0.4649 ( 1885 PWs) bands (ev): 1.5725 1.6213 2.8839 2.9411 3.0954 3.1465 3.4446 3.4922 3.5928 3.6694 4.3523 4.3961 5.4629 5.6130 5.7134 6.2493 6.5325 6.6534 6.9676 7.2725 7.3598 7.5445 7.8908 8.0168 8.5405 8.8580 10.0030 10.1796 13.6588 13.7873 16.3716 16.5195 17.9428 18.1132 19.0359 19.2000 k = 0.5833-0.0481 0.4763 ( 1893 PWs) bands (ev): 1.5727 1.6232 2.8845 2.9403 3.0930 3.1477 3.4496 3.4928 3.5912 3.6635 4.3555 4.4041 5.4691 5.6368 5.7176 6.2411 6.5168 6.6549 6.9657 7.2792 7.3453 7.5579 7.8909 8.0336 8.5205 8.8353 9.9404 10.1301 13.7741 13.9126 16.3837 16.5370 17.7718 17.9410 18.9998 19.1306 k = 0.5764-0.0441 0.4876 ( 1889 PWs) bands (ev): 1.5731 1.6252 2.8852 2.9393 3.0907 3.1489 3.4555 3.4937 3.5896 3.6568 4.3593 4.4130 5.4770 5.6620 5.7245 6.2317 6.4998 6.6522 6.9668 7.2839 7.3331 7.5691 7.8936 8.0516 8.4972 8.8080 9.8769 10.0775 13.9043 14.0513 16.3973 16.5571 17.6018 17.7688 18.9444 19.0475 k = 0.5694-0.0401 0.4990 ( 1891 PWs) bands (ev): 1.5735 1.6274 2.8859 2.9382 3.0884 3.1499 3.4618 3.4946 3.5878 3.6494 4.3636 4.4226 5.4866 5.6855 5.7371 6.2215 6.4812 6.6449 6.9716 7.2839 7.3259 7.5777 7.8992 8.0704 8.4710 8.7761 9.8151 10.0240 14.0469 14.2009 16.4120 16.5792 17.4345 17.5976 18.8745 18.9562 k = 0.5625-0.0361 0.5103 ( 1889 PWs) bands (ev): 1.5740 1.6297 2.8867 2.9371 3.0864 3.1507 3.4685 3.4958 3.5860 3.6415 4.3683 4.4328 5.4977 5.7027 5.7599 6.2103 6.4609 6.6328 6.9803 7.2771 7.3255 7.5836 7.9077 8.0899 8.4423 8.7395 9.7570 9.9718 14.1994 14.3593 16.4269 16.6019 17.2722 17.4286 18.7936 18.8607 k = 0.5556-0.0321 0.5217 ( 1891 PWs) bands (ev): 1.5745 1.6320 2.8875 2.9358 3.0846 3.1514 3.4754 3.4972 3.5841 3.6331 4.3732 4.4432 5.5098 5.7141 5.7923 6.1985 6.4386 6.6164 6.9926 7.2656 7.3297 7.5867 7.9189 8.1099 8.4120 8.6989 9.7041 9.9225 14.3597 14.5243 16.4399 16.6218 17.1193 17.2634 18.7042 18.7646 k = 0.5486-0.0281 0.5330 ( 1895 PWs) bands (ev): 1.5752 1.6343 2.8883 2.9346 3.0831 3.1519 3.4820 3.4991 3.5822 3.6245 4.3783 4.4537 5.5225 5.7234 5.8308 6.1860 6.4144 6.5962 7.0078 7.2518 7.3356 7.5873 7.9322 8.1302 8.3815 8.6548 9.6573 9.8775 14.5255 14.6940 16.4470 16.6306 16.9857 17.1049 18.6088 18.6707 k = 0.5417-0.0241 0.5443 ( 1891 PWs) bands (ev): 1.5759 1.6365 2.8891 2.9334 3.0818 3.1523 3.4878 3.5020 3.5804 3.6159 4.3834 4.4639 5.5353 5.7326 5.8730 6.1730 6.3881 6.5732 7.0253 7.2370 7.3419 7.5858 7.9468 8.1502 8.3524 8.6081 9.6171 9.8378 14.6946 14.8664 16.4373 16.6105 16.8900 16.9631 18.5108 18.5808 k = 0.5347-0.0200 0.5557 ( 1888 PWs) bands (ev): 1.5765 1.6386 2.8897 2.9323 3.0808 3.1525 3.4922 3.5064 3.5785 3.6076 4.3884 4.4736 5.5476 5.7425 5.9177 6.1599 6.3597 6.5484 7.0443 7.2216 7.3482 7.5829 7.9615 8.1693 8.3271 8.5599 9.5838 9.8040 14.8649 15.0395 16.3882 16.5543 16.8074 16.8926 18.4142 18.4964 k = 0.5278-0.0160 0.5670 ( 1896 PWs) bands (ev): 1.5772 1.6405 2.8902 2.9313 3.0799 3.1527 3.4949 3.5118 3.5762 3.5999 4.3930 4.4824 5.5587 5.7532 5.9635 6.1473 6.3293 6.5229 7.0642 7.2057 7.3540 7.5790 7.9750 8.1862 8.3088 8.5115 9.5572 9.7766 15.0341 15.2107 16.2882 16.4704 16.7344 16.8986 18.3228 18.4195 k = 0.5208-0.0120 0.5784 ( 1896 PWs) bands (ev): 1.5778 1.6420 2.8906 2.9305 3.0794 3.1528 3.4968 3.5177 3.5736 3.5937 4.3969 4.4899 5.5679 5.7644 6.0082 6.1374 6.2970 6.4984 7.0842 7.1894 7.3591 7.5750 7.9859 8.1994 8.3010 8.4641 9.5370 9.7554 15.1991 15.3768 16.1602 16.3555 16.7074 16.9245 18.2413 18.3530 k = 0.5139-0.0080 0.5897 ( 1890 PWs) bands (ev): 1.5783 1.6433 2.8910 2.9299 3.0790 3.1529 3.4981 3.5229 3.5705 3.5895 4.4002 4.4958 5.5750 5.7750 6.0452 6.1364 6.2629 6.4771 7.1038 7.1729 7.3631 7.5713 7.9932 8.2085 8.3052 8.4196 9.5229 9.7406 15.3554 15.5323 16.0255 16.2278 16.7050 16.9532 18.1750 18.3004 k = 0.5069-0.0040 0.6010 ( 1888 PWs) bands (ev): 1.5787 1.6441 2.8911 2.9296 3.0788 3.1529 3.4990 3.5266 3.5677 3.5873 4.4023 4.4996 5.5794 5.7832 6.0631 6.1555 6.2273 6.4615 7.1224 7.1563 7.3658 7.5687 7.9967 8.2149 8.3184 8.3811 9.5147 9.7319 15.4915 15.6633 15.9015 16.1117 16.7095 16.9756 18.1304 18.2657 k = 0.5000 0.0000 0.6124 ( 1888 PWs) bands (ev): 1.5788 1.6443 2.8912 2.9294 3.0787 3.1529 3.4993 3.5279 3.5666 3.5866 4.4031 4.5010 5.5809 5.7864 6.0657 6.1885 6.1923 6.4554 7.1380 7.1414 7.3668 7.5677 7.9974 8.2182 8.3292 8.3609 9.5120 9.7291 15.5594 15.7244 15.8374 16.0557 16.7121 16.9843 18.1142 18.2532 k = 0.5000 0.0000 0.6124 ( 1888 PWs) bands (ev): 1.5788 1.6443 2.8912 2.9294 3.0787 3.1529 3.4993 3.5279 3.5666 3.5866 4.4031 4.5010 5.5809 5.7864 6.0657 6.1885 6.1923 6.4554 7.1380 7.1414 7.3668 7.5677 7.9974 8.2182 8.3292 8.3609 9.5120 9.7291 15.5594 15.7244 15.8374 16.0557 16.7121 16.9843 18.1142 18.2532 k = 0.5000 0.0080 0.6010 ( 1888 PWs) bands (ev): 1.5789 1.6443 2.8910 2.9296 3.0785 3.1526 3.4985 3.5283 3.5656 3.5873 4.4009 4.4976 5.5782 5.7836 6.0676 6.1886 6.1924 6.4610 7.1372 7.1415 7.3648 7.5688 7.9977 8.2207 8.3100 8.3834 9.5179 9.7352 15.5568 15.7210 15.8311 16.0457 16.7197 16.9897 18.1211 18.2620 k = 0.5000 0.0160 0.5897 ( 1892 PWs) bands (ev): 1.5793 1.6443 2.8906 2.9301 3.0778 3.1516 3.4963 3.5292 3.5629 3.5888 4.3941 4.4875 5.5706 5.7751 6.0733 6.1868 6.1950 6.4768 7.1347 7.1421 7.3591 7.5721 7.9978 8.2292 8.2834 8.4203 9.5352 9.7536 15.5489 15.7110 15.8131 16.0170 16.7412 17.0056 18.1418 18.2879 k = 0.5000 0.0241 0.5784 ( 1890 PWs) bands (ev): 1.5800 1.6443 2.8901 2.9309 3.0767 3.1499 3.4931 3.5305 3.5595 3.5907 4.3829 4.4710 5.5594 5.7609 6.0818 6.1826 6.2015 6.5008 7.1307 7.1434 7.3501 7.5776 7.9958 8.2455 8.2583 8.4624 9.5637 9.7837 15.5355 15.6939 15.7855 15.9729 16.7739 17.0312 18.1760 18.3298 k = 0.5000 0.0321 0.5670 ( 1888 PWs) bands (ev): 1.5809 1.6443 2.8893 2.9319 3.0751 3.1476 3.4892 3.5313 3.5558 3.5925 4.3676 4.4484 5.5460 5.7419 6.0912 6.1771 6.2128 6.5299 7.1253 7.1459 7.3386 7.5854 7.9898 8.2345 8.2726 8.5096 9.6028 9.8248 15.5160 15.6695 15.7517 15.9171 16.8146 17.0652 18.2232 18.3862 k = 0.5000 0.0401 0.5557 ( 1886 PWs) bands (ev): 1.5820 1.6443 2.8884 2.9332 3.0729 3.1446 3.4849 3.5310 3.5526 3.5939 4.3484 4.4202 5.5315 5.7194 6.0985 6.1703 6.2304 6.5612 7.1188 7.1497 7.3258 7.5951 7.9794 8.2125 8.3104 8.5621 9.6519 9.8761 15.4891 15.6377 15.7153 15.8531 16.8607 17.1064 18.2823 18.4551 k = 0.5000 0.0481 0.5443 ( 1892 PWs) bands (ev): 1.5834 1.6443 2.8874 2.9345 3.0702 3.1410 3.4802 3.5290 3.5504 3.5949 4.3256 4.3872 5.5168 5.6949 6.1020 6.1625 6.2544 6.5921 7.1114 7.1546 7.3136 7.6066 7.9655 8.1916 8.3589 8.6205 9.7101 9.9366 15.4530 15.6006 15.6780 15.7846 16.9101 17.1532 18.3522 18.5349 k = 0.5000 0.0561 0.5330 ( 1888 PWs) bands (ev): 1.5851 1.6443 2.8865 2.9359 3.0670 3.1368 3.4755 3.5254 3.5496 3.5955 4.2995 4.3501 5.5022 5.6698 6.1017 6.1537 6.2836 6.6205 7.1032 7.1594 7.3045 7.6193 7.9493 8.1718 8.4175 8.6852 9.7766 10.0054 15.4058 15.5624 15.6369 15.7167 16.9615 17.2044 18.4317 18.6238 k = 0.5000 0.0642 0.5217 ( 1890 PWs) bands (ev): 1.5869 1.6443 2.8855 2.9373 3.0631 3.1321 3.4707 3.5205 3.5496 3.5955 4.2703 4.3099 5.4879 5.6449 6.0986 6.1440 6.3161 6.6449 7.0946 7.1614 7.3022 7.6331 7.9320 8.1529 8.4851 8.7565 9.8505 10.0816 15.3474 15.5257 15.5839 15.6590 17.0134 17.2587 18.5194 18.7201 k = 0.5000 0.0722 0.5103 ( 1900 PWs) bands (ev): 1.5890 1.6443 2.8845 2.9385 3.0585 3.1267 3.4659 3.5149 3.5498 3.5948 4.2379 4.2677 5.4738 5.6210 6.0936 6.1336 6.3502 6.6648 7.0855 7.1581 7.3094 7.6475 7.9145 8.1350 8.5613 8.8347 9.9310 10.1644 15.2799 15.4872 15.5192 15.6160 17.0649 17.3145 18.6136 18.8223 k = 0.5000 0.0802 0.4990 ( 1892 PWs) bands (ev): 1.5912 1.6443 2.8837 2.9397 3.0533 3.1212 3.4613 3.5091 3.5501 3.5936 4.2016 4.2257 5.4597 5.5984 6.0873 6.1226 6.3845 6.6800 7.0762 7.1490 7.3266 7.6623 7.8976 8.1182 8.6455 8.9198 10.0175 10.2529 15.2061 15.4237 15.4727 15.5809 17.1145 17.3703 18.7129 18.9288 k = 0.5000 0.0882 0.4876 ( 1890 PWs) bands (ev): 1.5937 1.6443 2.8830 2.9406 3.0473 3.1152 3.4569 3.5031 3.5502 3.5917 4.1602 4.1860 5.4454 5.5772 6.0804 6.1113 6.4180 6.6910 7.0668 7.1358 7.3516 7.6772 7.8818 8.1024 8.7373 9.0117 10.1091 10.3465 15.1281 15.3425 15.4418 15.5492 17.1609 17.4241 18.8155 19.0376 k = 0.5000 0.0962 0.4763 ( 1892 PWs) bands (ev): 1.5963 1.6442 2.8824 2.9412 3.0405 3.1091 3.4528 3.4973 3.5501 3.5892 4.1148 4.1484 5.4309 5.5574 6.0733 6.1000 6.4500 6.6984 7.0576 7.1206 7.3814 7.6922 7.8672 8.0878 8.8365 9.1104 10.2052 10.4444 15.0476 15.2577 15.4141 15.5194 17.2023 17.4735 18.9188 19.1464 k = 0.5000 0.1042 0.4649 ( 1886 PWs) bands (ev): 1.5990 1.6442 2.8819 2.9415 3.0330 3.1030 3.4489 3.4916 3.5498 3.5861 4.0678 4.1116 5.4160 5.5387 6.0661 6.0889 6.4799 6.7031 7.0486 7.1048 7.4141 7.7071 7.8541 8.0744 8.9428 9.2155 10.3052 10.5460 14.9659 15.1719 15.3882 15.4912 17.2368 17.5154 19.0185 19.2512 k = 0.5000 0.1123 0.4536 ( 1888 PWs) bands (ev): 1.6018 1.6442 2.8816 2.9411 3.0249 3.0968 3.4453 3.4862 3.5490 3.5823 4.0204 4.0751 5.4007 5.5208 6.0592 6.0785 6.5072 6.7056 7.0401 7.0894 7.4480 7.7217 7.8425 8.0622 9.0558 9.3269 10.4085 10.6507 14.8837 15.0859 15.3635 15.4646 17.2622 17.5459 19.1055 19.3448 k = 0.5000 0.1203 0.4423 ( 1890 PWs) bands (ev): 1.6047 1.6441 2.8814 2.9400 3.0164 3.0907 3.4421 3.4812 3.5479 3.5778 3.9737 4.0387 5.3853 5.5035 6.0527 6.0688 6.5316 6.7066 7.0321 7.0751 7.4820 7.7360 7.8324 8.0511 9.1753 9.4440 10.5146 10.7579 14.8016 15.0002 15.3403 15.4396 17.2759 17.5604 19.1582 19.3956 k = 0.5000 0.1283 0.4309 ( 1890 PWs) bands (ev): 1.6077 1.6441 2.8815 2.9379 3.0079 3.0846 3.4393 3.4764 3.5464 3.5727 3.9282 4.0027 5.3697 5.4863 6.0467 6.0601 6.5529 6.7067 7.0248 7.0622 7.5155 7.7499 7.8239 8.0412 9.3008 9.5665 10.6228 10.8670 14.7200 14.9152 15.3185 15.4165 17.2756 17.5543 19.1423 19.3563 k = 0.5000 0.1363 0.4196 ( 1896 PWs) bands (ev): 1.6107 1.6440 2.8816 2.9347 2.9997 3.0785 3.4368 3.4720 3.5444 3.5671 3.8845 3.9669 5.3541 5.4691 6.0413 6.0526 6.5708 6.7063 7.0182 7.0512 7.5477 7.7633 7.8169 8.0325 9.4320 9.6940 10.7328 10.9773 14.6394 14.8310 15.2985 15.3955 17.2590 17.5237 19.0670 19.2946 k = 0.5000 0.1443 0.4082 ( 1894 PWs) bands (ev): 1.6137 1.6439 2.8820 2.9300 2.9924 3.0724 3.4346 3.4679 3.5418 3.5612 3.8430 3.9318 5.3387 5.4517 6.0366 6.0461 6.5853 6.7056 7.0126 7.0420 7.5786 7.7758 7.8116 8.0248 9.5682 9.8261 10.8439 11.0882 14.5598 14.7476 15.2805 15.3768 17.2248 17.4670 18.9690 19.1981 k = 0.5000 0.1524 0.3969 ( 1900 PWs) bands (ev): 1.6166 1.6439 2.8825 2.9239 2.9861 3.0662 3.4327 3.4639 3.5382 3.5553 3.8042 3.8972 5.3236 5.4340 6.0326 6.0408 6.5966 6.7049 7.0080 7.0348 7.6077 7.7869 7.8086 8.0180 9.7092 9.9623 10.9556 11.1990 14.4813 14.6649 15.2648 15.3607 17.1725 17.3861 18.8568 19.0631 k = 0.5000 0.1604 0.3856 ( 1902 PWs) bands (ev): 1.6195 1.6438 2.8832 2.9164 2.9811 3.0598 3.4311 3.4601 3.5333 3.5499 3.7684 3.8634 5.3088 5.4161 6.0294 6.0365 6.6048 6.7041 7.0045 7.0295 7.6350 7.7936 7.8106 8.0123 9.8544 10.1021 11.0673 11.3091 14.4040 14.5827 15.2518 15.3476 17.1031 17.2854 18.7277 18.8991 k = 0.5000 0.1684 0.3742 ( 1898 PWs) bands (ev): 1.6223 1.6438 2.8841 2.9082 2.9770 3.0532 3.4295 3.4564 3.5273 3.5453 3.7359 3.8305 5.2946 5.3981 6.0269 6.0331 6.6104 6.7031 7.0023 7.0258 7.6602 7.7947 7.8188 8.0073 10.0034 10.2451 11.1786 11.4175 14.3275 14.5006 15.2422 15.3379 17.0183 17.1707 18.5813 18.7180 k = 0.5000 0.1764 0.3629 ( 1898 PWs) bands (ev): 1.6250 1.6437 2.8850 2.8995 2.9736 3.0463 3.4277 3.4527 3.5206 3.5414 3.7069 3.7985 5.2810 5.3800 6.0251 6.0305 6.6140 6.7018 7.0012 7.0235 7.6834 7.7940 7.8293 8.0031 10.1555 10.3906 11.2888 11.5237 14.2517 14.4182 15.2364 15.3321 16.9208 17.0482 18.4207 18.5278 k = 0.5000 0.1844 0.3515 ( 1894 PWs) bands (ev): 1.6276 1.6436 2.8855 2.8916 2.9707 3.0389 3.4252 3.4494 3.5140 3.5378 3.6812 3.7675 5.2681 5.3620 6.0239 6.0285 6.6161 6.6999 7.0012 7.0224 7.7045 7.7934 7.8402 7.9996 10.3103 10.5381 11.3974 11.6267 14.1761 14.3347 15.2352 15.3308 16.8138 16.9231 18.2502 18.3336 k = 0.5000 0.1925 0.3402 ( 1892 PWs) bands (ev): 1.6300 1.6436 2.8813 2.8889 2.9681 3.0310 3.4212 3.4469 3.5083 3.5343 3.6588 3.7377 5.2560 5.3443 6.0233 6.0271 6.6174 6.6975 7.0022 7.0223 7.7233 7.7932 7.8511 7.9966 10.4671 10.6869 11.5038 11.7258 14.1001 14.2495 15.2395 15.3346 16.7009 16.7993 18.0731 18.1382 k = 0.5000 0.2005 0.3289 ( 1896 PWs) bands (ev): 1.6321 1.6435 2.8743 2.8898 2.9656 3.0225 3.4158 3.4455 3.5039 3.5308 3.6392 3.7091 5.2448 5.3270 6.0231 6.0262 6.6181 6.6944 7.0040 7.0229 7.7398 7.7934 7.8619 7.9941 10.6252 10.8361 11.6076 11.8201 14.0229 14.1615 15.2502 15.3442 16.5862 16.6794 17.8922 17.9435 k = 0.5000 0.2085 0.3175 ( 1890 PWs) bands (ev): 1.6341 1.6435 2.8679 2.8911 2.9632 3.0136 3.4095 3.4452 3.5009 3.5273 3.6222 3.6820 5.2346 5.3104 6.0232 6.0256 6.6186 6.6907 7.0064 7.0241 7.7541 7.7941 7.8727 7.9919 10.7838 10.9847 11.7085 11.9092 13.9437 14.0699 15.2685 15.3607 16.4740 16.5650 17.7096 17.7507 k = 0.5000 0.2165 0.3062 ( 1888 PWs) bands (ev): 1.6359 1.6435 2.8627 2.8925 2.9608 3.0041 3.4030 3.4456 3.4993 3.5237 3.6072 3.6564 5.2256 5.2945 6.0235 6.0254 6.6193 6.6865 7.0093 7.0257 7.7662 7.7951 7.8833 7.9900 10.9418 11.1313 11.8064 11.9924 13.8617 13.9738 15.2953 15.3847 16.3679 16.4573 17.5270 17.5609 k = 0.5000 0.2245 0.2948 ( 1898 PWs) bands (ev): 1.6374 1.6434 2.8587 2.8937 2.9584 2.9941 3.3972 3.4462 3.4987 3.5201 3.5937 3.6325 5.2176 5.2795 6.0239 6.0253 6.6201 6.6819 7.0124 7.0274 7.7763 7.7963 7.8938 7.9880 11.0979 11.2742 11.9015 12.0696 13.7760 13.8727 15.3318 15.4172 16.2707 16.3572 17.3460 17.3746 k = 0.5000 0.2325 0.2835 ( 1898 PWs) bands (ev): 1.6388 1.6434 2.8563 2.8947 2.9559 2.9840 3.3929 3.4468 3.4991 3.5166 3.5817 3.6107 5.2110 5.2655 6.0244 6.0254 6.6213 6.6770 7.0156 7.0292 7.7845 7.7977 7.9041 7.9860 11.2503 11.4111 11.9945 12.1413 13.6862 13.7663 15.3787 15.4591 16.1844 16.2661 17.1680 17.1925 k = 0.5000 0.2406 0.2722 ( 1904 PWs) bands (ev): 1.6399 1.6434 2.8552 2.8952 2.9535 2.9740 3.3904 3.4466 3.5002 3.5134 3.5708 3.5911 5.2056 5.2526 6.0249 6.0256 6.6229 6.6719 7.0188 7.0308 7.7910 7.7992 7.9140 7.9838 11.3965 11.5389 12.0865 12.2084 13.5920 13.6550 15.4368 15.5108 16.1101 16.1848 16.9943 17.0153 k = 0.5000 0.2486 0.2608 ( 1902 PWs) bands (ev): 1.6409 1.6435 2.8557 2.8951 2.9511 2.9648 3.3899 3.4452 3.5021 3.5110 3.5609 3.5741 5.2016 5.2409 6.0254 6.0258 6.6250 6.6667 7.0219 7.0322 7.7960 7.8007 7.9234 7.9814 11.5329 11.6536 12.1791 12.2727 13.4938 13.5399 15.5063 15.5729 16.0486 16.1142 16.8262 16.8437 k = 0.5000 0.2566 0.2495 ( 1904 PWs) bands (ev): 1.6416 1.6435 2.8576 2.8939 2.9489 2.9567 3.3914 3.4421 3.5045 3.5098 3.5519 3.5597 5.1989 5.2305 6.0259 6.0261 6.6276 6.6615 7.0248 7.0332 7.7998 7.8021 7.9323 7.9784 11.6550 11.7510 12.2732 12.3369 13.3930 13.4234 15.5869 15.6452 16.0000 16.0548 16.6650 16.6789 k = 0.5000 0.2646 0.2381 ( 1902 PWs) bands (ev): 1.6422 1.6435 2.8608 2.8914 2.9468 2.9504 3.3948 3.4370 3.5074 3.5100 3.5437 3.5480 5.1977 5.2215 6.0262 6.0263 6.6306 6.6564 7.0274 7.0338 7.8024 7.8034 7.9405 7.9750 11.7574 11.8274 12.3676 12.4030 13.2924 13.3098 15.6774 15.7269 15.9645 16.0071 16.5122 16.5228 k = 0.5000 0.2726 0.2268 ( 1902 PWs) bands (ev): 1.6426 1.6434 2.8652 2.8874 2.9450 2.9462 3.4000 3.4302 3.5107 3.5116 3.5366 3.5387 5.1980 5.2139 6.0265 6.0265 6.6341 6.6514 7.0296 7.0340 7.8041 7.8044 7.9481 7.9710 11.8354 11.8802 12.4561 12.4698 13.1983 13.2072 15.7744 15.8147 15.9424 15.9720 16.3704 16.3793 k = 0.5000 0.2807 0.2155 ( 1898 PWs) bands (ev): 1.6430 1.6433 2.8705 2.8822 2.9438 2.9439 3.4067 3.4224 3.5140 3.5141 3.5310 3.5319 5.1998 5.2077 6.0267 6.0267 6.6379 6.6466 7.0314 7.0336 7.8051 7.8051 7.9549 7.9664 11.8864 11.9081 12.5247 12.5269 13.1248 13.1298 15.8656 15.8926 15.9392 15.9534 16.2497 16.2579 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): 1.6432 1.6432 2.8764 2.8764 2.9433 2.9433 3.4143 3.4143 3.5157 3.5157 3.5288 3.5288 5.2030 5.2030 6.0267 6.0267 6.6421 6.6421 7.0328 7.0328 7.8054 7.8054 7.9610 7.9610 11.9104 11.9104 12.5515 12.5515 13.0974 13.0974 15.9080 15.9080 15.9608 15.9608 16.1946 16.1946 k = 0.5000 0.2887 0.2041 ( 1892 PWs) bands (ev): 1.6432 1.6432 2.8764 2.8764 2.9433 2.9433 3.4143 3.4143 3.5157 3.5157 3.5288 3.5288 5.2030 5.2030 6.0267 6.0267 6.6421 6.6421 7.0328 7.0328 7.8054 7.8054 7.9610 7.9610 11.9104 11.9104 12.5515 12.5515 13.0974 13.0974 15.9080 15.9080 15.9608 15.9608 16.1946 16.1946 k = 0.4960 0.2863 0.2173 ( 1898 PWs) bands (ev): 1.6430 1.6433 2.8705 2.8822 2.9438 2.9440 3.4066 3.4224 3.5140 3.5141 3.5311 3.5319 5.1998 5.2077 6.0266 6.0267 6.6379 6.6467 7.0314 7.0336 7.8051 7.8051 7.9549 7.9664 11.8862 11.9080 12.5249 12.5262 13.1252 13.1301 15.8658 15.8908 15.9428 15.9506 16.2504 16.2584 k = 0.4919 0.2840 0.2305 ( 1902 PWs) bands (ev): 1.6426 1.6434 2.8651 2.8874 2.9451 2.9462 3.4000 3.4303 3.5106 3.5116 3.5370 3.5384 5.1980 5.2140 6.0265 6.0266 6.6340 6.6515 7.0296 7.0340 7.8042 7.8043 7.9480 7.9711 11.8347 11.8796 12.4581 12.4662 13.2010 13.2066 15.7759 15.8095 15.9536 15.9626 16.3732 16.3797 k = 0.4879 0.2817 0.2436 ( 1902 PWs) bands (ev): 1.6422 1.6435 2.8607 2.8914 2.9469 2.9504 3.3948 3.4371 3.5071 3.5101 3.5455 3.5467 5.1978 5.2216 6.0261 6.0264 6.6306 6.6565 7.0274 7.0338 7.8028 7.8030 7.9404 7.9751 11.7563 11.8254 12.3743 12.3942 13.3012 13.3042 15.6811 15.7196 15.9817 15.9912 16.5190 16.5216 k = 0.4839 0.2794 0.2568 ( 1904 PWs) bands (ev): 1.6416 1.6435 2.8575 2.8940 2.9490 2.9568 3.3914 3.4422 3.5037 3.5100 3.5562 3.5563 5.1990 5.2307 6.0256 6.0264 6.6275 6.6616 7.0248 7.0332 7.8007 7.8011 7.9321 7.9785 11.6534 11.7462 12.2878 12.3215 13.4088 13.4105 15.5945 15.6369 16.0217 16.0321 16.6753 16.6769 k = 0.4798 0.2770 0.2700 ( 1900 PWs) bands (ev): 1.6408 1.6434 2.8557 2.8951 2.9515 2.9648 3.3900 3.4455 3.5007 3.5114 3.5668 3.5699 5.2017 5.2412 6.0248 6.0264 6.6250 6.6668 7.0219 7.0321 7.7979 7.7986 7.9233 7.9814 11.5304 11.6445 12.2044 12.2509 13.5130 13.5201 15.5207 15.5659 16.0726 16.0838 16.8379 16.8434 k = 0.4758 0.2747 0.2831 ( 1899 PWs) bands (ev): 1.6399 1.6434 2.8552 2.8952 2.9540 2.9741 3.3907 3.4471 3.4979 3.5136 3.5785 3.5862 5.2058 5.2530 6.0238 6.0267 6.6230 6.6720 7.0189 7.0306 7.7943 7.7954 7.9140 7.9838 11.3924 11.5246 12.1245 12.1817 13.6120 13.6242 15.4629 15.5091 16.1336 16.1454 17.0078 17.0163 k = 0.4718 0.2724 0.2963 ( 1899 PWs) bands (ev): 1.6388 1.6434 2.8563 2.8945 2.9567 2.9838 3.3935 3.4475 3.4957 3.5164 3.5912 3.6051 5.2112 5.2659 6.0226 6.0271 6.6214 6.6770 7.0159 7.0288 7.7899 7.7912 7.9045 7.9860 11.2438 11.3912 12.0468 12.1125 13.7023 13.7183 15.4238 15.4687 16.2040 16.2161 17.1834 17.1941 k = 0.4677 0.2701 0.3095 ( 1899 PWs) bands (ev): 1.6375 1.6433 2.8589 2.8934 2.9595 2.9937 3.3983 3.4473 3.4941 3.5193 3.6051 3.6263 5.2180 5.2800 6.0211 6.0280 6.6204 6.6817 7.0130 7.0267 7.7847 7.7857 7.8952 7.9878 11.0881 11.2485 11.9695 12.0420 13.7809 13.7989 15.4059 15.4468 16.2830 16.2950 17.3635 17.3751 k = 0.4637 0.2677 0.3226 ( 1902 PWs) bands (ev): 1.6359 1.6433 2.8629 2.8919 2.9624 3.0032 3.4047 3.4469 3.4936 3.5222 3.6204 3.6496 5.2261 5.2950 6.0194 6.0294 6.6198 6.6860 7.0104 7.0245 7.7785 7.7786 7.8864 7.9896 10.9278 11.0997 11.8915 11.9696 13.8455 13.8629 15.4115 15.4449 16.3697 16.3813 17.5462 17.5573 k = 0.4597 0.2654 0.3358 ( 1896 PWs) bands (ev): 1.6342 1.6432 2.8683 2.8904 2.9654 3.0123 3.4120 3.4466 3.4945 3.5251 3.6373 3.6748 5.2353 5.3108 6.0173 6.0314 6.6197 6.6897 7.0084 7.0223 7.7694 7.7713 7.8788 7.9914 10.7649 10.9473 11.8122 11.8950 13.8947 13.9088 15.4414 15.4638 16.4635 16.4742 17.7297 17.7384 k = 0.4556 0.2631 0.3490 ( 1892 PWs) bands (ev): 1.6323 1.6432 2.8748 2.8888 2.9686 3.0208 3.4193 3.4464 3.4976 3.5279 3.6560 3.7016 5.2457 5.3272 6.0150 6.0342 6.6200 6.6925 7.0072 7.0202 7.7575 7.7630 7.8727 7.9933 10.6009 10.7931 11.7313 11.8182 13.9280 13.9367 15.4949 15.5032 16.5635 16.5729 17.9109 17.9151 k = 0.4516 0.2607 0.3622 ( 1894 PWs) bands (ev): 1.6302 1.6431 2.8824 2.8872 2.9721 3.0285 3.4255 3.4465 3.5034 3.5306 3.6766 3.7298 5.2571 5.3441 6.0123 6.0380 6.6205 6.6942 7.0070 7.0184 7.7429 7.7536 7.8684 7.9955 10.4371 10.6385 11.6489 11.7395 13.9466 13.9484 15.5615 15.5698 16.6689 16.6766 18.0832 18.0858 k = 0.4476 0.2584 0.3753 ( 1892 PWs) bands (ev): 1.6279 1.6430 2.8857 2.8906 2.9760 3.0355 3.4300 3.4470 3.5121 3.5332 3.6997 3.7594 5.2695 5.3610 6.0093 6.0431 6.6212 6.6947 7.0081 7.0171 7.7253 7.7431 7.8660 7.9981 10.2746 10.4847 11.5652 11.6590 13.9465 13.9523 15.6361 15.6627 16.7792 16.7847 18.2369 18.2477 k = 0.4435 0.2561 0.3885 ( 1895 PWs) bands (ev): 1.6254 1.6428 2.8842 2.8992 2.9804 3.0418 3.4325 3.4478 3.5233 3.5357 3.7254 3.7902 5.2827 5.3779 6.0059 6.0496 6.6219 6.6936 7.0106 7.0165 7.7050 7.7313 7.8654 8.0011 10.1142 10.3328 11.4804 11.5772 13.9342 13.9475 15.7238 15.7701 16.8935 16.8964 18.3685 18.3867 k = 0.4395 0.2538 0.4017 ( 1896 PWs) bands (ev): 1.6228 1.6426 2.8829 2.9078 2.9856 3.0475 3.4336 3.4491 3.5362 3.5382 3.7541 3.8222 5.2967 5.3944 6.0020 6.0578 6.6224 6.6907 7.0146 7.0168 7.6820 7.7182 7.8665 8.0046 9.9569 10.1837 11.3948 11.4943 13.9140 13.9344 15.8212 15.8882 17.0109 17.0113 18.4699 18.4884 k = 0.4355 0.2514 0.4148 ( 1896 PWs) bands (ev): 1.6201 1.6423 2.8817 2.9160 2.9919 3.0526 3.4336 3.4507 3.5408 3.5500 3.7857 3.8552 5.3113 5.4101 5.9974 6.0680 6.6226 6.6860 7.0183 7.0203 7.6566 7.7040 7.8691 8.0087 9.8037 10.0384 11.3088 11.4108 13.8884 13.9152 15.9251 16.0141 17.1276 17.1318 18.5351 18.5393 k = 0.4315 0.2491 0.4280 ( 1894 PWs) bands (ev): 1.6173 1.6420 2.8806 2.9233 2.9994 3.0574 3.4330 3.4526 3.5434 3.5638 3.8204 3.8893 5.3266 5.4248 5.9921 6.0805 6.6222 6.6792 7.0213 7.0276 7.6290 7.6885 7.8729 8.0133 9.6553 9.8977 11.2227 11.3270 13.8590 13.8916 16.0323 16.1445 17.2456 17.2543 18.5382 18.5649 k = 0.4274 0.2468 0.4412 ( 1886 PWs) bands (ev): 1.6144 1.6415 2.8797 2.9295 3.0084 3.0619 3.4320 3.4550 3.5461 3.5774 3.8579 3.9242 5.3424 5.4381 5.9857 6.0954 6.6213 6.6703 7.0261 7.0362 7.5994 7.6719 7.8779 8.0184 9.5127 9.7625 11.1368 11.2433 13.8270 13.8648 16.1395 16.2764 17.3640 17.3782 18.4999 18.5669 k = 0.4234 0.2444 0.4543 ( 1884 PWs) bands (ev): 1.6114 1.6410 2.8789 2.9344 3.0185 3.0660 3.4309 3.4576 3.5488 3.5902 3.8980 3.9600 5.3587 5.4499 5.9781 6.1130 6.6196 6.6594 7.0327 7.0457 7.5683 7.6543 7.8839 8.0237 9.3767 9.6337 11.0515 11.1600 13.7935 13.8359 16.2435 16.4066 17.4817 17.5026 18.4432 18.5526 k = 0.4194 0.2421 0.4675 ( 1886 PWs) bands (ev): 1.6084 1.6403 2.8782 2.9381 3.0296 3.0698 3.4297 3.4603 3.5517 3.6023 3.9402 3.9963 5.3754 5.4599 5.9688 6.1333 6.6173 6.6463 7.0415 7.0557 7.5361 7.6359 7.8907 8.0292 9.2485 9.5122 10.9671 11.0773 13.7590 13.8057 16.3407 16.5310 17.5974 17.6265 18.3838 18.5331 k = 0.4153 0.2398 0.4807 ( 1886 PWs) bands (ev): 1.6054 1.6395 2.8777 2.9409 3.0414 3.0734 3.4287 3.4632 3.5547 3.6136 3.9842 4.0331 5.3925 5.4679 5.9575 6.1564 6.6143 6.6311 7.0526 7.0654 7.5038 7.6167 7.8979 8.0344 9.1288 9.3989 10.8839 10.9958 13.7241 13.7746 16.4272 16.6443 17.7095 17.7489 18.3337 18.5176 k = 0.4113 0.2375 0.4938 ( 1888 PWs) bands (ev): 1.6023 1.6385 2.8774 2.9429 3.0535 3.0768 3.4278 3.4663 3.5579 3.6240 4.0293 4.0702 5.4099 5.4738 5.9437 6.1820 6.6110 6.6139 7.0659 7.0736 7.4724 7.5971 7.9054 8.0389 9.0186 9.2950 10.8022 10.9156 13.6890 13.7430 16.4994 16.7401 17.8164 17.8685 18.3037 18.5139 k = 0.4073 0.2351 0.5070 ( 1888 PWs) bands (ev): 1.5993 1.6374 2.8772 2.9442 3.0656 3.0801 3.4271 3.4694 3.5612 3.6336 4.0753 4.1072 5.4277 5.4778 5.9269 6.2097 6.5948 6.6076 7.0792 7.0815 7.4437 7.5774 7.9127 8.0423 8.9190 9.2013 10.7224 10.8370 13.6539 13.7113 16.5538 16.8110 17.9169 17.9837 18.3027 18.5279 k = 0.4032 0.2328 0.5202 ( 1886 PWs) bands (ev): 1.5962 1.6360 2.8772 2.9450 3.0776 3.0833 3.4266 3.4725 3.5649 3.6425 4.1213 4.1439 5.4458 5.4797 5.9069 6.2388 6.5744 6.6046 7.0805 7.0993 7.4196 7.5579 7.9193 8.0439 8.8308 9.1189 10.6447 10.7605 13.6190 13.6795 16.5878 16.8511 18.0134 18.0932 18.3340 18.5634 k = 0.3992 0.2305 0.5334 ( 1890 PWs) bands (ev): 1.5930 1.6343 2.8773 2.9453 3.0864 3.0891 3.4265 3.4755 3.5687 3.6505 4.1666 4.1797 5.4641 5.4798 5.8832 6.2681 6.5536 6.6024 7.0763 7.1189 7.4021 7.5391 7.9246 8.0430 8.7550 9.0487 10.5695 10.6862 13.5842 13.6479 16.6006 16.8582 18.1119 18.1964 18.3926 18.6207 k = 0.3952 0.2281 0.5465 ( 1890 PWs) bands (ev): 1.5898 1.6324 2.8776 2.9454 3.0893 3.0999 3.4266 3.4784 3.5729 3.6578 4.2107 4.2142 5.4782 5.4826 5.8561 6.2952 6.5343 6.6014 7.0660 7.1402 7.3924 7.5214 7.9279 8.0389 8.6923 8.9916 10.4972 10.6145 13.5498 13.6164 16.5930 16.8352 18.2179 18.2938 18.4680 18.6966 k = 0.3911 0.2258 0.5597 ( 1890 PWs) bands (ev): 1.5866 1.6301 2.8781 2.9452 3.0922 3.1101 3.4271 3.4811 3.5772 3.6643 4.2470 4.2524 5.4750 5.5010 5.8256 6.3158 6.5208 6.6019 7.0506 7.1628 7.3904 7.5055 7.9287 8.0312 8.6435 8.9482 10.4280 10.5458 13.5156 13.5852 16.5673 16.7883 18.3321 18.3863 18.5503 18.7848 k = 0.3871 0.2235 0.5729 ( 1889 PWs) bands (ev): 1.5832 1.6274 2.8789 2.9448 3.0951 3.1194 3.4279 3.4838 3.5818 3.6701 4.2772 4.2910 5.4707 5.5189 5.7928 6.3239 6.5188 6.6041 7.0322 7.1859 7.3946 7.4922 7.9267 8.0196 8.6089 8.9185 10.3623 10.4804 13.4816 13.5543 16.5263 16.7243 18.4511 18.4743 18.6323 18.8775 k = 0.3831 0.2212 0.5860 ( 1891 PWs) bands (ev): 1.5797 1.6244 2.8798 2.9443 3.0978 3.1278 3.4290 3.4862 3.5865 3.6752 4.3041 4.3252 5.4653 5.5352 5.7595 6.3162 6.5318 6.6081 7.0135 7.2088 7.4033 7.4823 7.9218 8.0043 8.5883 8.9023 10.3004 10.4185 13.4478 13.5236 16.4734 16.6487 18.5571 18.5696 18.7086 18.9664 k = 0.3790 0.2188 0.5992 ( 1890 PWs) bands (ev): 1.5760 1.6208 2.8809 2.9437 3.1005 3.1353 3.4304 3.4886 3.5915 3.6796 4.3270 4.3541 5.4594 5.5473 5.7287 6.2960 6.5564 6.6140 6.9970 7.2305 7.4145 7.4771 7.9149 7.9858 8.5811 8.8989 10.2428 10.3605 13.4142 13.4932 16.4115 16.5659 18.6330 18.6809 18.7761 19.0443 k = 0.3750 0.2165 0.6124 ( 1890 PWs) bands (ev): 1.5720 1.6167 2.8823 2.9430 3.1031 3.1417 3.4321 3.4908 3.5965 3.6834 4.3450 4.3763 5.4532 5.5509 5.7064 6.2694 6.5866 6.6215 6.9848 7.2495 7.4267 7.4780 7.9069 7.9649 8.5862 8.9073 10.1897 10.3068 13.3807 13.4630 16.3430 16.4788 18.7001 18.7746 18.8376 19.1065 k = 0.6250-0.0722 0.4082 ( 1890 PWs) bands (ev): 1.5720 1.6167 2.8823 2.9430 3.1031 3.1417 3.4321 3.4908 3.5965 3.6834 4.3450 4.3763 5.4532 5.5509 5.7064 6.2694 6.5866 6.6215 6.9848 7.2495 7.4267 7.4780 7.9069 7.9649 8.5862 8.9073 10.1897 10.3068 13.3807 13.4630 16.3430 16.4788 18.7001 18.7746 18.8376 19.1065 k = 0.6181-0.0842 0.4082 ( 1890 PWs) bands (ev): 1.5648 1.6089 2.8849 2.9418 3.1077 3.1514 3.4354 3.4944 3.6056 3.6892 4.3706 4.4073 5.4408 5.5372 5.6878 6.2229 6.6353 6.6380 6.9699 7.2769 7.4489 7.4897 7.8965 7.9299 8.6064 8.9321 10.1040 10.2196 13.3218 13.4098 16.2158 16.3244 18.8080 18.9087 18.9544 19.2077 k = 0.6111-0.0962 0.4082 ( 1890 PWs) bands (ev): 1.5573 1.6004 2.8875 2.9407 3.1127 3.1602 3.4389 3.4976 3.6150 3.6949 4.3953 4.4364 5.4249 5.5073 5.6850 6.1807 6.6475 6.6829 6.9587 7.2972 7.4726 7.5118 7.8934 7.9001 8.6293 8.9590 10.0214 10.1352 13.2601 13.3539 16.0821 16.1685 18.9190 19.0423 19.0826 19.3222 k = 0.6042-0.1083 0.4082 ( 1894 PWs) bands (ev): 1.5497 1.5915 2.8900 2.9395 3.1179 3.1681 3.4425 3.5005 3.6247 3.7004 4.4190 4.4635 5.4054 5.4680 5.6919 6.1431 6.6578 6.7179 6.9538 7.3081 7.4965 7.5457 7.8758 7.8988 8.6548 8.9878 9.9423 10.0540 13.1954 13.2947 15.9459 16.0148 19.0339 19.1769 19.2185 19.4460 k = 0.5972-0.1203 0.4082 ( 1896 PWs) bands (ev): 1.5422 1.5825 2.8926 2.9383 3.1234 3.1752 3.4462 3.5031 3.6345 3.7057 4.4416 4.4886 5.3830 5.4253 5.7032 6.1100 6.6658 6.7401 6.9577 7.3103 7.5193 7.5890 7.8575 7.9133 8.6833 9.0184 9.8668 9.9760 13.1275 13.2321 15.8108 15.8660 19.1526 19.3138 19.3585 19.5763 k = 0.5903-0.1323 0.4082 ( 1886 PWs) bands (ev): 1.5350 1.5733 2.8952 2.9372 3.1291 3.1814 3.4501 3.5056 3.6444 3.7108 4.4631 4.5117 5.3579 5.3822 5.7162 6.0813 6.6716 6.7489 6.9707 7.3063 7.5400 7.6371 7.8461 7.9371 8.7148 9.0507 9.7952 9.9015 13.0565 13.1658 15.6796 15.7242 19.2745 19.4533 19.5005 19.7110 k = 0.5833-0.1443 0.4082 ( 1886 PWs) bands (ev): 1.5280 1.5642 2.8976 2.9360 3.1349 3.1867 3.4542 3.5077 3.6541 3.7156 4.4835 4.5327 5.3310 5.3403 5.7300 6.0566 6.6751 6.7470 6.9900 7.2984 7.5581 7.6835 7.8446 7.9690 8.7500 9.0847 9.7278 9.8307 12.9824 13.0959 15.5545 15.5911 19.3989 19.5950 19.6431 19.8485 k = 0.5764-0.1564 0.4082 ( 1894 PWs) bands (ev): 1.5214 1.5553 2.9000 2.9348 3.1407 3.1912 3.4583 3.5095 3.6636 3.7199 4.5027 4.5516 5.3004 5.3028 5.7440 6.0352 6.6766 6.7386 7.0121 7.2881 7.5737 7.7194 7.8586 8.0069 8.7891 9.1201 9.6649 9.7636 12.9059 13.0223 15.4374 15.4678 19.5247 19.7383 19.7853 19.9877 k = 0.5694-0.1684 0.4082 ( 1896 PWs) bands (ev): 1.5152 1.5467 2.9023 2.9336 3.1466 3.1949 3.4625 3.5110 3.6727 3.7239 4.5206 4.5684 5.2631 5.2741 5.7581 6.0168 6.6763 6.7268 7.0341 7.2766 7.5876 7.7387 7.8917 8.0482 8.8327 9.1566 9.6068 9.7007 12.8276 12.9456 15.3295 15.3552 19.6510 19.8823 19.9259 20.1273 k = 0.5625-0.1804 0.4082 ( 1900 PWs) bands (ev): 1.5097 1.5385 2.9045 2.9324 3.1524 3.1979 3.4668 3.5122 3.6815 3.7274 4.5373 4.5832 5.2289 5.2457 5.7721 6.0006 6.6745 6.7136 7.0549 7.2645 7.6004 7.7457 7.9373 8.0900 8.8810 9.1935 9.5539 9.6420 12.7486 12.8666 15.2318 15.2538 19.7768 20.0260 20.0637 20.2664 k = 0.5556-0.1925 0.4082 ( 1888 PWs) bands (ev): 1.5047 1.5307 2.9067 2.9313 3.1583 3.2002 3.4713 3.5130 3.6899 3.7306 4.5528 4.5960 5.1981 5.2183 5.7860 5.9862 6.6715 6.7003 7.0738 7.2524 7.6126 7.7469 7.9871 8.1297 8.9337 9.2301 9.5064 9.5879 12.6705 12.7864 15.1448 15.1638 19.9008 20.1679 20.1976 20.4036 k = 0.5486-0.2045 0.4082 ( 1892 PWs) bands (ev): 1.5005 1.5235 2.9087 2.9300 3.1639 3.2017 3.4757 3.5134 3.6978 3.7332 4.5669 4.6066 5.1708 5.1923 5.7998 5.9731 6.6677 6.6878 7.0908 7.2406 7.6246 7.7456 8.0360 8.1654 8.9903 9.2652 9.4648 9.5386 12.5951 12.7065 15.0689 15.0852 20.0217 20.3040 20.3280 20.5374 k = 0.5417-0.2165 0.4082 ( 1892 PWs) bands (ev): 1.4969 1.5168 2.9106 2.9288 3.1694 3.2026 3.4801 3.5133 3.7050 3.7353 4.5797 4.6152 5.1472 5.1684 5.8134 5.9608 6.6633 6.6764 7.1059 7.2293 7.6366 7.7429 8.0818 8.1958 9.0494 9.2970 9.4295 9.4943 12.5245 12.6285 15.0039 15.0179 20.1383 20.4243 20.4604 20.6661 k = 0.5347-0.2285 0.4082 ( 1896 PWs) bands (ev): 1.4941 1.5109 2.9124 2.9275 3.1746 3.2028 3.4844 3.5128 3.7115 3.7367 4.5911 4.6218 5.1275 5.1471 5.8268 5.9491 6.6587 6.6665 7.1194 7.2186 7.6486 7.7391 8.1231 8.2200 9.1093 9.3233 9.4016 9.4553 12.4611 12.5547 14.9499 14.9616 20.2489 20.5244 20.5937 20.7872 k = 0.5278-0.2406 0.4082 ( 1896 PWs) bands (ev): 1.4921 1.5056 2.9142 2.9262 3.1795 3.2024 3.4886 3.5118 3.7174 3.7375 4.6011 4.6265 5.1118 5.1286 5.8401 5.9376 6.6543 6.6584 7.1315 7.2084 7.6606 7.7343 8.1592 8.2378 9.1675 9.3398 9.3835 9.4220 12.4073 12.4873 14.9065 14.9159 20.3518 20.6020 20.7235 20.8979 k = 0.5208-0.2526 0.4082 ( 1892 PWs) bands (ev): 1.4909 1.5011 2.9160 2.9249 3.1840 3.2014 3.4927 3.5103 3.7227 3.7376 4.6097 4.6293 5.1002 5.1134 5.8531 5.9261 6.6503 6.6522 7.1425 7.1987 7.6724 7.7285 8.1898 8.2493 9.2216 9.3414 9.3787 9.3947 12.3655 12.4289 14.8735 14.8806 20.4451 20.6535 20.8471 20.9946 k = 0.5139-0.2646 0.4082 ( 1888 PWs) bands (ev): 1.4905 1.4973 2.9176 2.9236 3.1881 3.1999 3.4965 3.5084 3.7271 3.7370 4.6169 4.6302 5.0925 5.1016 5.8660 5.9146 6.6472 6.6478 7.1526 7.1894 7.6838 7.7216 8.2145 8.2544 9.2687 9.3356 9.3741 9.3782 12.3375 12.3815 14.8505 14.8552 20.5266 20.6767 20.9627 21.0732 k = 0.5069-0.2766 0.4082 ( 1868 PWs) bands (ev): 1.4910 1.4944 2.9193 2.9223 3.1920 3.1979 3.5002 3.5062 3.7310 3.7359 4.6227 4.6294 5.0889 5.0936 5.8785 5.9028 6.6452 6.6453 7.1622 7.1804 7.6945 7.7136 8.2334 8.2534 9.3051 9.3309 9.3619 9.3721 12.3249 12.3475 14.8373 14.8397 20.5937 20.6723 21.0681 21.1298 k = 0.5000-0.2887 0.4082 ( 1868 PWs) bands (ev): 1.4923 1.4923 2.9208 2.9208 3.1952 3.1952 3.5034 3.5034 3.7338 3.7338 4.6268 4.6268 5.0893 5.0893 5.8908 5.8908 6.6444 6.6444 7.1713 7.1713 7.7045 7.7045 8.2464 8.2464 9.3250 9.3250 9.3624 9.3624 12.3283 12.3283 14.8337 14.8337 20.6434 20.6434 21.1589 21.1590 Writing output data file CdSbAu.save init_run : 1.39s CPU 0.80s WALL ( 1 calls) electrons : 226.13s CPU 141.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.16s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 226.12s CPU 141.94s 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 : 0.38s CPU 0.21s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.20s CPU 0.23s WALL ( 337 calls) cegterg : 209.21s CPU 131.18s WALL ( 527 calls) Called by sum_band: Called by *egterg: h_psi : 119.17s CPU 74.10s WALL ( 8428 calls) s_psi : 7.12s CPU 4.05s WALL ( 8428 calls) g_psi : 0.16s CPU 0.12s WALL ( 7564 calls) cdiaghg : 80.47s CPU 51.27s WALL ( 7901 calls) cegterg:over : 6.76s CPU 3.89s WALL ( 7564 calls) cegterg:upda : 3.84s CPU 2.49s WALL ( 7564 calls) cegterg:last : 2.42s CPU 1.45s WALL ( 1639 calls) cdiaghg:chol : 4.10s CPU 2.68s WALL ( 7901 calls) cdiaghg:inve : 2.25s CPU 1.45s WALL ( 7901 calls) cdiaghg:para : 4.18s CPU 2.78s WALL ( 15802 calls) Called by h_psi: h_psi:vloc : 103.81s CPU 64.81s WALL ( 8428 calls) h_psi:vnl : 15.17s CPU 9.19s WALL ( 8428 calls) add_vuspsi : 9.57s CPU 5.66s WALL ( 8428 calls) General routines calbec : 5.55s CPU 3.50s WALL ( 8428 calls) fft : 0.08s CPU 0.04s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 95.20s CPU 59.40s WALL ( 743040 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.23s CPU 0.29s WALL ( 674 calls) Parallel routines fft_scatter : 44.60s CPU 27.93s WALL ( 743063 calls) PWSCF : 3m57.37s CPU 2m41.79s WALL This run was terminated on: 6:14:31 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=