Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1: 2 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: ./Li2SnGe.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 55 55 15 1626 1626 239 Max 56 56 16 1632 1632 242 Sum 1981 1981 559 58623 58623 8657 bravais-lattice index = 14 lattice parameter (alat) = 8.3675 a.u. unit-cell volume = 414.2626 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.367523 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 Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Sn 14.00 118.71000 Sn( 1.00) Li 3.00 6.94100 Li( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0029674 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0029674 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0029674 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0029674 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0029674 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0029674 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0029674 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0029674 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0029674 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0029674 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0029674 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0029674 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0029674 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0029674 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0029674 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0029674 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0029674 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0029674 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0029674 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0029674 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0029674 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0029674 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0029674 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0029674 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0029674 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0029674 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0029674 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0029674 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0029674 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0029674 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0029674 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0029674 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0029674 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0029674 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0029674 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0029674 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0029674 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0029674 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0029674 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0029674 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0029674 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0029674 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0029674 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0029674 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0029674 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0029674 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0029674 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0029674 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0029674 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0029674 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0029674 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0029674 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0029674 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0029674 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0029674 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0029674 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0029674 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0029674 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0029674 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0029674 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0029674 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0029674 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0029674 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0029674 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0029674 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0029674 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0029674 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0029674 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0029674 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0029674 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0029674 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0029674 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0029674 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0029674 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0029674 k( 79) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029674 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029674 k( 81) = ( 0.4930556 0.0120281 0.6123724), wk = 0.0029674 k( 82) = ( 0.4861111 0.0240563 0.6123724), wk = 0.0029674 k( 83) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0029674 k( 84) = ( 0.4722222 0.0481125 0.6123724), wk = 0.0029674 k( 85) = ( 0.4652778 0.0601406 0.6123724), wk = 0.0029674 k( 86) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0029674 k( 87) = ( 0.4513889 0.0841969 0.6123724), wk = 0.0029674 k( 88) = ( 0.4444444 0.0962251 0.6123724), wk = 0.0029674 k( 89) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0029674 k( 90) = ( 0.4305556 0.1202813 0.6123724), wk = 0.0029674 k( 91) = ( 0.4236111 0.1323094 0.6123724), wk = 0.0029674 k( 92) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0029674 k( 93) = ( 0.4097222 0.1563657 0.6123724), wk = 0.0029674 k( 94) = ( 0.4027778 0.1683938 0.6123724), wk = 0.0029674 k( 95) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0029674 k( 96) = ( 0.3888889 0.1924501 0.6123724), wk = 0.0029674 k( 97) = ( 0.3819444 0.2044782 0.6123724), wk = 0.0029674 k( 98) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 100) = ( 0.3680556 0.2124970 0.6010322), wk = 0.0029674 k( 101) = ( 0.3611111 0.2084876 0.5896920), wk = 0.0029674 k( 102) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0029674 k( 103) = ( 0.3472222 0.2004688 0.5670115), wk = 0.0029674 k( 104) = ( 0.3402778 0.1964595 0.5556713), wk = 0.0029674 k( 105) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0029674 k( 106) = ( 0.3263889 0.1884407 0.5329908), wk = 0.0029674 k( 107) = ( 0.3194444 0.1844313 0.5216506), wk = 0.0029674 k( 108) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0029674 k( 109) = ( 0.3055556 0.1764126 0.4989701), wk = 0.0029674 k( 110) = ( 0.2986111 0.1724032 0.4876299), wk = 0.0029674 k( 111) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0029674 k( 112) = ( 0.2847222 0.1643845 0.4649494), wk = 0.0029674 k( 113) = ( 0.2777778 0.1603751 0.4536092), wk = 0.0029674 k( 114) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0029674 k( 115) = ( 0.2638889 0.1523563 0.4309288), wk = 0.0029674 k( 116) = ( 0.2569444 0.1483469 0.4195885), wk = 0.0029674 k( 117) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0029674 k( 118) = ( 0.2430556 0.1403282 0.3969081), wk = 0.0029674 k( 119) = ( 0.2361111 0.1363188 0.3855678), wk = 0.0029674 k( 120) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0029674 k( 121) = ( 0.2222222 0.1283001 0.3628874), wk = 0.0029674 k( 122) = ( 0.2152778 0.1242907 0.3515471), wk = 0.0029674 k( 123) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0029674 k( 124) = ( 0.2013889 0.1162719 0.3288667), wk = 0.0029674 k( 125) = ( 0.1944444 0.1122625 0.3175265), wk = 0.0029674 k( 126) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0029674 k( 127) = ( 0.1805556 0.1042438 0.2948460), wk = 0.0029674 k( 128) = ( 0.1736111 0.1002344 0.2835058), wk = 0.0029674 k( 129) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0029674 k( 130) = ( 0.1597222 0.0922157 0.2608253), wk = 0.0029674 k( 131) = ( 0.1527778 0.0882063 0.2494851), wk = 0.0029674 k( 132) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0029674 k( 133) = ( 0.1388889 0.0801875 0.2268046), wk = 0.0029674 k( 134) = ( 0.1319444 0.0761782 0.2154644), wk = 0.0029674 k( 135) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0029674 k( 136) = ( 0.1180556 0.0681594 0.1927839), wk = 0.0029674 k( 137) = ( 0.1111111 0.0641500 0.1814437), wk = 0.0029674 k( 138) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0029674 k( 139) = ( 0.0972222 0.0561313 0.1587632), wk = 0.0029674 k( 140) = ( 0.0902778 0.0521219 0.1474230), wk = 0.0029674 k( 141) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0029674 k( 142) = ( 0.0763889 0.0441031 0.1247425), wk = 0.0029674 k( 143) = ( 0.0694444 0.0400938 0.1134023), wk = 0.0029674 k( 144) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0029674 k( 145) = ( 0.0555556 0.0320750 0.0907218), wk = 0.0029674 k( 146) = ( 0.0486111 0.0280656 0.0793816), wk = 0.0029674 k( 147) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0029674 k( 148) = ( 0.0347222 0.0200469 0.0567011), wk = 0.0029674 k( 149) = ( 0.0277778 0.0160375 0.0453609), wk = 0.0029674 k( 150) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0029674 k( 151) = ( 0.0138889 0.0080188 0.0226805), wk = 0.0029674 k( 152) = ( 0.0069444 0.0040094 0.0113402), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0065608 0.0046392), wk = 0.0029674 k( 156) = ( 0.0227273 0.0131216 0.0092784), wk = 0.0029674 k( 157) = ( 0.0340909 0.0196824 0.0139176), wk = 0.0029674 k( 158) = ( 0.0454546 0.0262432 0.0185567), wk = 0.0029674 k( 159) = ( 0.0568182 0.0328040 0.0231959), wk = 0.0029674 k( 160) = ( 0.0681818 0.0393648 0.0278351), wk = 0.0029674 k( 161) = ( 0.0795455 0.0459256 0.0324743), wk = 0.0029674 k( 162) = ( 0.0909091 0.0524864 0.0371135), wk = 0.0029674 k( 163) = ( 0.1022727 0.0590472 0.0417527), wk = 0.0029674 k( 164) = ( 0.1136364 0.0656080 0.0463918), wk = 0.0029674 k( 165) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0029674 k( 166) = ( 0.1363636 0.0787296 0.0556702), wk = 0.0029674 k( 167) = ( 0.1477273 0.0852904 0.0603094), wk = 0.0029674 k( 168) = ( 0.1590909 0.0918512 0.0649486), wk = 0.0029674 k( 169) = ( 0.1704546 0.0984120 0.0695878), wk = 0.0029674 k( 170) = ( 0.1818182 0.1049728 0.0742270), wk = 0.0029674 k( 171) = ( 0.1931818 0.1115336 0.0788661), wk = 0.0029674 k( 172) = ( 0.2045454 0.1180944 0.0835053), wk = 0.0029674 k( 173) = ( 0.2159091 0.1246552 0.0881445), wk = 0.0029674 k( 174) = ( 0.2272727 0.1312160 0.0927837), wk = 0.0029674 k( 175) = ( 0.2386364 0.1377768 0.0974229), wk = 0.0029674 k( 176) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0029674 k( 177) = ( 0.2613636 0.1508984 0.1067013), wk = 0.0029674 k( 178) = ( 0.2727273 0.1574592 0.1113404), wk = 0.0029674 k( 179) = ( 0.2840909 0.1640200 0.1159796), wk = 0.0029674 k( 180) = ( 0.2954545 0.1705808 0.1206188), wk = 0.0029674 k( 181) = ( 0.3068182 0.1771416 0.1252580), wk = 0.0029674 k( 182) = ( 0.3181818 0.1837024 0.1298972), wk = 0.0029674 k( 183) = ( 0.3295455 0.1902632 0.1345364), wk = 0.0029674 k( 184) = ( 0.3409091 0.1968240 0.1391756), wk = 0.0029674 k( 185) = ( 0.3522727 0.2033848 0.1438147), wk = 0.0029674 k( 186) = ( 0.3636364 0.2099456 0.1484539), wk = 0.0029674 k( 187) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0029674 k( 188) = ( 0.3863636 0.2230672 0.1577323), wk = 0.0029674 k( 189) = ( 0.3977273 0.2296279 0.1623715), wk = 0.0029674 k( 190) = ( 0.4090909 0.2361887 0.1670107), wk = 0.0029674 k( 191) = ( 0.4204545 0.2427495 0.1716499), wk = 0.0029674 k( 192) = ( 0.4318182 0.2493103 0.1762890), wk = 0.0029674 k( 193) = ( 0.4431818 0.2558711 0.1809282), wk = 0.0029674 k( 194) = ( 0.4545455 0.2624319 0.1855674), wk = 0.0029674 k( 195) = ( 0.4659091 0.2689927 0.1902066), wk = 0.0029674 k( 196) = ( 0.4772727 0.2755535 0.1948458), wk = 0.0029674 k( 197) = ( 0.4886364 0.2821143 0.1994850), wk = 0.0029674 k( 198) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 199) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 200) = ( 0.5040323 0.2770350 0.2107088), wk = 0.0029674 k( 201) = ( 0.5080645 0.2653949 0.2172934), wk = 0.0029674 k( 202) = ( 0.5120968 0.2537548 0.2238781), wk = 0.0029674 k( 203) = ( 0.5161290 0.2421146 0.2304627), wk = 0.0029674 k( 204) = ( 0.5201613 0.2304745 0.2370474), wk = 0.0029674 k( 205) = ( 0.5241936 0.2188344 0.2436320), wk = 0.0029674 k( 206) = ( 0.5282258 0.2071943 0.2502167), wk = 0.0029674 k( 207) = ( 0.5322581 0.1955541 0.2568013), wk = 0.0029674 k( 208) = ( 0.5362903 0.1839140 0.2633860), wk = 0.0029674 k( 209) = ( 0.5403226 0.1722739 0.2699706), wk = 0.0029674 k( 210) = ( 0.5443548 0.1606337 0.2765553), wk = 0.0029674 k( 211) = ( 0.5483871 0.1489936 0.2831399), wk = 0.0029674 k( 212) = ( 0.5524193 0.1373535 0.2897246), wk = 0.0029674 k( 213) = ( 0.5564516 0.1257134 0.2963092), wk = 0.0029674 k( 214) = ( 0.5604839 0.1140732 0.3028939), wk = 0.0029674 k( 215) = ( 0.5645161 0.1024331 0.3094785), wk = 0.0029674 k( 216) = ( 0.5685484 0.0907930 0.3160632), wk = 0.0029674 k( 217) = ( 0.5725807 0.0791529 0.3226478), wk = 0.0029674 k( 218) = ( 0.5766129 0.0675127 0.3292325), wk = 0.0029674 k( 219) = ( 0.5806452 0.0558726 0.3358171), wk = 0.0029674 k( 220) = ( 0.5846774 0.0442325 0.3424018), wk = 0.0029674 k( 221) = ( 0.5887097 0.0325924 0.3489864), wk = 0.0029674 k( 222) = ( 0.5927419 0.0209522 0.3555711), wk = 0.0029674 k( 223) = ( 0.5967742 0.0093121 0.3621557), wk = 0.0029674 k( 224) = ( 0.6008064 -0.0023280 0.3687404), wk = 0.0029674 k( 225) = ( 0.6048387 -0.0139682 0.3753250), wk = 0.0029674 k( 226) = ( 0.6088710 -0.0256083 0.3819097), wk = 0.0029674 k( 227) = ( 0.6129032 -0.0372484 0.3884943), wk = 0.0029674 k( 228) = ( 0.6169355 -0.0488885 0.3950790), wk = 0.0029674 k( 229) = ( 0.6209677 -0.0605287 0.4016636), wk = 0.0029674 k( 230) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 231) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 232) = ( 0.6180556 -0.0681594 0.4195885), wk = 0.0029674 k( 233) = ( 0.6111111 -0.0641500 0.4309288), wk = 0.0029674 k( 234) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0029674 k( 235) = ( 0.5972222 -0.0561313 0.4536092), wk = 0.0029674 k( 236) = ( 0.5902778 -0.0521219 0.4649494), wk = 0.0029674 k( 237) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0029674 k( 238) = ( 0.5763889 -0.0441031 0.4876299), wk = 0.0029674 k( 239) = ( 0.5694444 -0.0400938 0.4989701), wk = 0.0029674 k( 240) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0029674 k( 241) = ( 0.5555556 -0.0320750 0.5216506), wk = 0.0029674 k( 242) = ( 0.5486111 -0.0280656 0.5329908), wk = 0.0029674 k( 243) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0029674 k( 244) = ( 0.5347222 -0.0200469 0.5556713), wk = 0.0029674 k( 245) = ( 0.5277778 -0.0160375 0.5670115), wk = 0.0029674 k( 246) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0029674 k( 247) = ( 0.5138889 -0.0080188 0.5896920), wk = 0.0029674 k( 248) = ( 0.5069444 -0.0040094 0.6010322), wk = 0.0029674 k( 249) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029674 k( 250) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0029674 k( 251) = ( 0.5000000 0.0080187 0.6010322), wk = 0.0029674 k( 252) = ( 0.5000000 0.0160375 0.5896920), wk = 0.0029674 k( 253) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0029674 k( 254) = ( 0.5000000 0.0320750 0.5670115), wk = 0.0029674 k( 255) = ( 0.5000000 0.0400938 0.5556713), wk = 0.0029674 k( 256) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0029674 k( 257) = ( 0.5000000 0.0561313 0.5329908), wk = 0.0029674 k( 258) = ( 0.5000000 0.0641500 0.5216506), wk = 0.0029674 k( 259) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0029674 k( 260) = ( 0.5000000 0.0801875 0.4989701), wk = 0.0029674 k( 261) = ( 0.5000000 0.0882063 0.4876299), wk = 0.0029674 k( 262) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0029674 k( 263) = ( 0.5000000 0.1042438 0.4649494), wk = 0.0029674 k( 264) = ( 0.5000000 0.1122625 0.4536092), wk = 0.0029674 k( 265) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0029674 k( 266) = ( 0.5000000 0.1283001 0.4309288), wk = 0.0029674 k( 267) = ( 0.5000000 0.1363188 0.4195885), wk = 0.0029674 k( 268) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0029674 k( 269) = ( 0.5000000 0.1523563 0.3969081), wk = 0.0029674 k( 270) = ( 0.5000000 0.1603751 0.3855678), wk = 0.0029674 k( 271) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0029674 k( 272) = ( 0.5000000 0.1764126 0.3628874), wk = 0.0029674 k( 273) = ( 0.5000000 0.1844313 0.3515471), wk = 0.0029674 k( 274) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0029674 k( 275) = ( 0.5000000 0.2004688 0.3288667), wk = 0.0029674 k( 276) = ( 0.5000000 0.2084876 0.3175264), wk = 0.0029674 k( 277) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0029674 k( 278) = ( 0.5000000 0.2245251 0.2948460), wk = 0.0029674 k( 279) = ( 0.5000000 0.2325439 0.2835058), wk = 0.0029674 k( 280) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0029674 k( 281) = ( 0.5000000 0.2485814 0.2608253), wk = 0.0029674 k( 282) = ( 0.5000000 0.2566001 0.2494851), wk = 0.0029674 k( 283) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0029674 k( 284) = ( 0.5000000 0.2726376 0.2268046), wk = 0.0029674 k( 285) = ( 0.5000000 0.2806564 0.2154644), wk = 0.0029674 k( 286) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 287) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0029674 k( 288) = ( 0.4959677 0.2863471 0.2172935), wk = 0.0029674 k( 289) = ( 0.4919355 0.2840191 0.2304627), wk = 0.0029674 k( 290) = ( 0.4879032 0.2816911 0.2436320), wk = 0.0029674 k( 291) = ( 0.4838710 0.2793630 0.2568013), wk = 0.0029674 k( 292) = ( 0.4798387 0.2770350 0.2699706), wk = 0.0029674 k( 293) = ( 0.4758064 0.2747070 0.2831399), wk = 0.0029674 k( 294) = ( 0.4717742 0.2723790 0.2963092), wk = 0.0029674 k( 295) = ( 0.4677419 0.2700509 0.3094785), wk = 0.0029674 k( 296) = ( 0.4637097 0.2677229 0.3226478), wk = 0.0029674 k( 297) = ( 0.4596774 0.2653949 0.3358171), wk = 0.0029674 k( 298) = ( 0.4556452 0.2630669 0.3489864), wk = 0.0029674 k( 299) = ( 0.4516129 0.2607388 0.3621557), wk = 0.0029674 k( 300) = ( 0.4475807 0.2584108 0.3753250), wk = 0.0029674 k( 301) = ( 0.4435484 0.2560828 0.3884943), wk = 0.0029674 k( 302) = ( 0.4395161 0.2537548 0.4016636), wk = 0.0029674 k( 303) = ( 0.4354839 0.2514267 0.4148329), wk = 0.0029674 k( 304) = ( 0.4314516 0.2490987 0.4280022), wk = 0.0029674 k( 305) = ( 0.4274193 0.2467707 0.4411715), wk = 0.0029674 k( 306) = ( 0.4233871 0.2444427 0.4543408), wk = 0.0029674 k( 307) = ( 0.4193548 0.2421146 0.4675101), wk = 0.0029674 k( 308) = ( 0.4153226 0.2397866 0.4806794), wk = 0.0029674 k( 309) = ( 0.4112903 0.2374586 0.4938487), wk = 0.0029674 k( 310) = ( 0.4072581 0.2351306 0.5070180), wk = 0.0029674 k( 311) = ( 0.4032258 0.2328025 0.5201873), wk = 0.0029674 k( 312) = ( 0.3991936 0.2304745 0.5333566), wk = 0.0029674 k( 313) = ( 0.3951613 0.2281465 0.5465259), wk = 0.0029674 k( 314) = ( 0.3911290 0.2258185 0.5596952), wk = 0.0029674 k( 315) = ( 0.3870968 0.2234904 0.5728645), wk = 0.0029674 k( 316) = ( 0.3830645 0.2211624 0.5860338), wk = 0.0029674 k( 317) = ( 0.3790323 0.2188344 0.5992031), wk = 0.0029674 k( 318) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0029674 k( 319) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0029674 k( 320) = ( 0.6180556 -0.0841969 0.4082483), wk = 0.0029674 k( 321) = ( 0.6111111 -0.0962250 0.4082483), wk = 0.0029674 k( 322) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0029674 k( 323) = ( 0.5972222 -0.1202813 0.4082483), wk = 0.0029674 k( 324) = ( 0.5902778 -0.1323094 0.4082483), wk = 0.0029674 k( 325) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0029674 k( 326) = ( 0.5763889 -0.1563657 0.4082483), wk = 0.0029674 k( 327) = ( 0.5694444 -0.1683938 0.4082483), wk = 0.0029674 k( 328) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0029674 k( 329) = ( 0.5555556 -0.1924501 0.4082483), wk = 0.0029674 k( 330) = ( 0.5486111 -0.2044782 0.4082483), wk = 0.0029674 k( 331) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0029674 k( 332) = ( 0.5347222 -0.2285345 0.4082483), wk = 0.0029674 k( 333) = ( 0.5277778 -0.2405626 0.4082483), wk = 0.0029674 k( 334) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0029674 k( 335) = ( 0.5138889 -0.2646189 0.4082483), wk = 0.0029674 k( 336) = ( 0.5069444 -0.2766470 0.4082483), wk = 0.0029674 k( 337) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0098039 0.0000000 0.0098039), wk = 0.0029674 k( 3) = ( 0.0196078 0.0000000 0.0196078), wk = 0.0029674 k( 4) = ( 0.0294118 -0.0000000 0.0294118), wk = 0.0029674 k( 5) = ( 0.0392157 0.0000000 0.0392157), wk = 0.0029674 k( 6) = ( 0.0490196 0.0000000 0.0490196), wk = 0.0029674 k( 7) = ( 0.0588235 0.0000000 0.0588235), wk = 0.0029674 k( 8) = ( 0.0686275 -0.0000000 0.0686275), wk = 0.0029674 k( 9) = ( 0.0784314 0.0000000 0.0784314), wk = 0.0029674 k( 10) = ( 0.0882353 -0.0000000 0.0882353), wk = 0.0029674 k( 11) = ( 0.0980392 0.0000000 0.0980392), wk = 0.0029674 k( 12) = ( 0.1078431 -0.0000000 0.1078431), wk = 0.0029674 k( 13) = ( 0.1176471 0.0000000 0.1176471), wk = 0.0029674 k( 14) = ( 0.1274510 0.0000000 0.1274510), wk = 0.0029674 k( 15) = ( 0.1372549 -0.0000000 0.1372549), wk = 0.0029674 k( 16) = ( 0.1470588 -0.0000000 0.1470588), wk = 0.0029674 k( 17) = ( 0.1568627 0.0000000 0.1568627), wk = 0.0029674 k( 18) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0029674 k( 19) = ( 0.1764706 -0.0000000 0.1764706), wk = 0.0029674 k( 20) = ( 0.1862745 -0.0000000 0.1862745), wk = 0.0029674 k( 21) = ( 0.1960784 0.0000000 0.1960784), wk = 0.0029674 k( 22) = ( 0.2058823 -0.0000000 0.2058823), wk = 0.0029674 k( 23) = ( 0.2156863 -0.0000000 0.2156863), wk = 0.0029674 k( 24) = ( 0.2254902 0.0000000 0.2254902), wk = 0.0029674 k( 25) = ( 0.2352941 0.0000000 0.2352941), wk = 0.0029674 k( 26) = ( 0.2450980 -0.0000000 0.2450980), wk = 0.0029674 k( 27) = ( 0.2549020 0.0000000 0.2549020), wk = 0.0029674 k( 28) = ( 0.2647059 -0.0000000 0.2647059), wk = 0.0029674 k( 29) = ( 0.2745098 -0.0000000 0.2745098), wk = 0.0029674 k( 30) = ( 0.2843137 -0.0000000 0.2843137), wk = 0.0029674 k( 31) = ( 0.2941177 -0.0000000 0.2941177), wk = 0.0029674 k( 32) = ( 0.3039216 -0.0000000 0.3039216), wk = 0.0029674 k( 33) = ( 0.3137255 0.0000000 0.3137255), wk = 0.0029674 k( 34) = ( 0.3235294 0.0000000 0.3235294), wk = 0.0029674 k( 35) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0029674 k( 36) = ( 0.3431373 -0.0000000 0.3431373), wk = 0.0029674 k( 37) = ( 0.3529412 -0.0000000 0.3529412), wk = 0.0029674 k( 38) = ( 0.3627451 -0.0000000 0.3627451), wk = 0.0029674 k( 39) = ( 0.3725490 -0.0000000 0.3725490), wk = 0.0029674 k( 40) = ( 0.3823529 0.0000000 0.3823529), wk = 0.0029674 k( 41) = ( 0.3921569 0.0000000 0.3921569), wk = 0.0029674 k( 42) = ( 0.4019608 -0.0000000 0.4019608), wk = 0.0029674 k( 43) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0029674 k( 44) = ( 0.4215686 -0.0000000 0.4215686), wk = 0.0029674 k( 45) = ( 0.4313726 -0.0000000 0.4313726), 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 0.0288461 0.5288462), wk = 0.0029674 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0029674 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0029674 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0029674 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0029674 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0029674 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0029674 k( 63) = ( 0.5000000 0.0961538 0.5961539), wk = 0.0029674 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0029674 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0029674 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0029674 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0029674 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0029674 k( 69) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0029674 k( 70) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0029674 k( 71) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0029674 k( 72) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0029674 k( 73) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0029674 k( 74) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0029674 k( 75) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0029674 k( 76) = ( 0.5000000 0.2211538 0.7211538), wk = 0.0029674 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0029674 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0029674 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0029674 k( 81) = ( 0.4930556 0.2569444 0.7500000), wk = 0.0029674 k( 82) = ( 0.4861111 0.2638889 0.7500000), wk = 0.0029674 k( 83) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0029674 k( 84) = ( 0.4722222 0.2777778 0.7500000), wk = 0.0029674 k( 85) = ( 0.4652778 0.2847222 0.7500000), wk = 0.0029674 k( 86) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0029674 k( 87) = ( 0.4513889 0.2986111 0.7500000), wk = 0.0029674 k( 88) = ( 0.4444444 0.3055556 0.7500000), wk = 0.0029674 k( 89) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0029674 k( 90) = ( 0.4305556 0.3194444 0.7500000), wk = 0.0029674 k( 91) = ( 0.4236111 0.3263889 0.7500000), wk = 0.0029674 k( 92) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0029674 k( 93) = ( 0.4097222 0.3402778 0.7500000), wk = 0.0029674 k( 94) = ( 0.4027778 0.3472222 0.7500000), wk = 0.0029674 k( 95) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0029674 k( 96) = ( 0.3888889 0.3611111 0.7500000), wk = 0.0029674 k( 97) = ( 0.3819444 0.3680556 0.7500000), wk = 0.0029674 k( 98) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0029674 k( 100) = ( 0.3680556 0.3680556 0.7361111), wk = 0.0029674 k( 101) = ( 0.3611111 0.3611111 0.7222222), wk = 0.0029674 k( 102) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0029674 k( 103) = ( 0.3472222 0.3472222 0.6944444), wk = 0.0029674 k( 104) = ( 0.3402778 0.3402778 0.6805556), wk = 0.0029674 k( 105) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0029674 k( 106) = ( 0.3263889 0.3263889 0.6527778), wk = 0.0029674 k( 107) = ( 0.3194444 0.3194444 0.6388889), wk = 0.0029674 k( 108) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0029674 k( 109) = ( 0.3055556 0.3055556 0.6111111), wk = 0.0029674 k( 110) = ( 0.2986111 0.2986111 0.5972222), wk = 0.0029674 k( 111) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0029674 k( 112) = ( 0.2847222 0.2847222 0.5694444), wk = 0.0029674 k( 113) = ( 0.2777778 0.2777778 0.5555556), wk = 0.0029674 k( 114) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0029674 k( 115) = ( 0.2638889 0.2638889 0.5277778), wk = 0.0029674 k( 116) = ( 0.2569444 0.2569444 0.5138889), wk = 0.0029674 k( 117) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0029674 k( 118) = ( 0.2430556 0.2430556 0.4861111), wk = 0.0029674 k( 119) = ( 0.2361111 0.2361111 0.4722222), wk = 0.0029674 k( 120) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0029674 k( 121) = ( 0.2222222 0.2222222 0.4444444), wk = 0.0029674 k( 122) = ( 0.2152778 0.2152778 0.4305556), wk = 0.0029674 k( 123) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0029674 k( 124) = ( 0.2013889 0.2013889 0.4027778), wk = 0.0029674 k( 125) = ( 0.1944444 0.1944444 0.3888889), wk = 0.0029674 k( 126) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0029674 k( 127) = ( 0.1805556 0.1805556 0.3611111), wk = 0.0029674 k( 128) = ( 0.1736111 0.1736111 0.3472222), wk = 0.0029674 k( 129) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029674 k( 130) = ( 0.1597222 0.1597222 0.3194444), wk = 0.0029674 k( 131) = ( 0.1527778 0.1527778 0.3055556), wk = 0.0029674 k( 132) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0029674 k( 133) = ( 0.1388889 0.1388889 0.2777778), wk = 0.0029674 k( 134) = ( 0.1319444 0.1319444 0.2638889), wk = 0.0029674 k( 135) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0029674 k( 136) = ( 0.1180556 0.1180556 0.2361111), wk = 0.0029674 k( 137) = ( 0.1111111 0.1111111 0.2222222), wk = 0.0029674 k( 138) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0029674 k( 139) = ( 0.0972222 0.0972222 0.1944444), wk = 0.0029674 k( 140) = ( 0.0902778 0.0902778 0.1805556), wk = 0.0029674 k( 141) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0029674 k( 142) = ( 0.0763889 0.0763889 0.1527778), wk = 0.0029674 k( 143) = ( 0.0694444 0.0694444 0.1388889), wk = 0.0029674 k( 144) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0029674 k( 145) = ( 0.0555556 0.0555556 0.1111111), wk = 0.0029674 k( 146) = ( 0.0486111 0.0486111 0.0972222), wk = 0.0029674 k( 147) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0029674 k( 148) = ( 0.0347222 0.0347222 0.0694444), wk = 0.0029674 k( 149) = ( 0.0277778 0.0277778 0.0555556), wk = 0.0029674 k( 150) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0029674 k( 151) = ( 0.0138889 0.0138889 0.0277778), wk = 0.0029674 k( 152) = ( 0.0069444 0.0069444 0.0138889), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 155) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0029674 k( 156) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0029674 k( 157) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0029674 k( 158) = ( 0.0454546 0.0454546 0.0454546), 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 0.0795455 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 0.1704546), 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 0.2045455), wk = 0.0029674 k( 173) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0029674 k( 174) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029674 k( 175) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0029674 k( 176) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029674 k( 177) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0029674 k( 178) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029674 k( 179) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0029674 k( 180) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0029674 k( 181) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0029674 k( 182) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029674 k( 183) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0029674 k( 184) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0029674 k( 185) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0029674 k( 186) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029674 k( 187) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029674 k( 188) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0029674 k( 189) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0029674 k( 190) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029674 k( 191) = ( 0.4204545 0.4204545 0.4204546), 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: 58623 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 434, 32) NL pseudopotentials 0.25 Mb ( 217, 76) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1627) G-vector shells 0.00 Mb ( 428) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.85 Mb ( 434, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.07 Mb ( 76, 2, 32) The potential is recalculated from file : ./Li2SnGe.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.3 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.8 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.2 secs Computing kpt #: 12 total cpu time spent up to now is 8.6 secs Computing kpt #: 13 total cpu time spent up to now is 9.0 secs Computing kpt #: 14 total cpu time spent up to now is 9.4 secs Computing kpt #: 15 total cpu time spent up to now is 9.8 secs Computing kpt #: 16 total cpu time spent up to now is 10.3 secs Computing kpt #: 17 total cpu time spent up to now is 10.7 secs Computing kpt #: 18 total cpu time spent up to now is 11.1 secs Computing kpt #: 19 total cpu time spent up to now is 11.5 secs Computing kpt #: 20 total cpu time spent up to now is 11.9 secs Computing kpt #: 21 total cpu time spent up to now is 12.3 secs Computing kpt #: 22 total cpu time spent up to now is 12.7 secs Computing kpt #: 23 total cpu time spent up to now is 13.1 secs Computing kpt #: 24 total cpu time spent up to now is 13.5 secs Computing kpt #: 25 total cpu time spent up to now is 13.9 secs Computing kpt #: 26 total cpu time spent up to now is 14.3 secs Computing kpt #: 27 total cpu time spent up to now is 14.9 secs Computing kpt #: 28 total cpu time spent up to now is 15.3 secs Computing kpt #: 29 total cpu time spent up to now is 15.7 secs Computing kpt #: 30 total cpu time spent up to now is 16.1 secs Computing kpt #: 31 total cpu time spent up to now is 16.5 secs Computing kpt #: 32 total cpu time spent up to now is 16.9 secs Computing kpt #: 33 total cpu time spent up to now is 17.3 secs Computing kpt #: 34 total cpu time spent up to now is 17.7 secs Computing kpt #: 35 total cpu time spent up to now is 18.1 secs Computing kpt #: 36 total cpu time spent up to now is 18.5 secs Computing kpt #: 37 total cpu time spent up to now is 18.9 secs Computing kpt #: 38 total cpu time spent up to now is 19.3 secs Computing kpt #: 39 total cpu time spent up to now is 19.7 secs Computing kpt #: 40 total cpu time spent up to now is 20.1 secs Computing kpt #: 41 total cpu time spent up to now is 20.5 secs Computing kpt #: 42 total cpu time spent up to now is 20.9 secs Computing kpt #: 43 total cpu time spent up to now is 21.3 secs Computing kpt #: 44 total cpu time spent up to now is 21.7 secs Computing kpt #: 45 total cpu time spent up to now is 22.1 secs Computing kpt #: 46 total cpu time spent up to now is 22.6 secs Computing kpt #: 47 total cpu time spent up to now is 23.0 secs Computing kpt #: 48 total cpu time spent up to now is 23.4 secs Computing kpt #: 49 total cpu time spent up to now is 24.0 secs Computing kpt #: 50 total cpu time spent up to now is 24.5 secs Computing kpt #: 51 total cpu time spent up to now is 25.0 secs Computing kpt #: 52 total cpu time spent up to now is 25.6 secs Computing kpt #: 53 total cpu time spent up to now is 26.2 secs Computing kpt #: 54 total cpu time spent up to now is 26.7 secs Computing kpt #: 55 total cpu time spent up to now is 27.1 secs Computing kpt #: 56 total cpu time spent up to now is 27.6 secs Computing kpt #: 57 total cpu time spent up to now is 28.0 secs Computing kpt #: 58 total cpu time spent up to now is 28.5 secs Computing kpt #: 59 total cpu time spent up to now is 29.0 secs Computing kpt #: 60 total cpu time spent up to now is 29.4 secs Computing kpt #: 61 total cpu time spent up to now is 29.9 secs Computing kpt #: 62 total cpu time spent up to now is 30.4 secs Computing kpt #: 63 total cpu time spent up to now is 30.9 secs Computing kpt #: 64 total cpu time spent up to now is 31.3 secs Computing kpt #: 65 total cpu time spent up to now is 31.8 secs Computing kpt #: 66 total cpu time spent up to now is 32.2 secs Computing kpt #: 67 total cpu time spent up to now is 32.7 secs Computing kpt #: 68 total cpu time spent up to now is 33.1 secs Computing kpt #: 69 total cpu time spent up to now is 33.5 secs Computing kpt #: 70 total cpu time spent up to now is 34.0 secs Computing kpt #: 71 total cpu time spent up to now is 34.5 secs Computing kpt #: 72 total cpu time spent up to now is 35.0 secs Computing kpt #: 73 total cpu time spent up to now is 35.5 secs Computing kpt #: 74 total cpu time spent up to now is 36.0 secs Computing kpt #: 75 total cpu time spent up to now is 36.6 secs Computing kpt #: 76 total cpu time spent up to now is 37.1 secs Computing kpt #: 77 total cpu time spent up to now is 37.6 secs Computing kpt #: 78 total cpu time spent up to now is 38.1 secs Computing kpt #: 79 total cpu time spent up to now is 38.5 secs Computing kpt #: 80 total cpu time spent up to now is 39.0 secs Computing kpt #: 81 total cpu time spent up to now is 39.5 secs Computing kpt #: 82 total cpu time spent up to now is 40.0 secs Computing kpt #: 83 total cpu time spent up to now is 40.5 secs Computing kpt #: 84 total cpu time spent up to now is 41.0 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 42.0 secs Computing kpt #: 87 total cpu time spent up to now is 42.4 secs Computing kpt #: 88 total cpu time spent up to now is 42.9 secs Computing kpt #: 89 total cpu time spent up to now is 43.3 secs Computing kpt #: 90 total cpu time spent up to now is 43.8 secs Computing kpt #: 91 total cpu time spent up to now is 44.3 secs Computing kpt #: 92 total cpu time spent up to now is 44.7 secs Computing kpt #: 93 total cpu time spent up to now is 45.2 secs Computing kpt #: 94 total cpu time spent up to now is 45.6 secs Computing kpt #: 95 total cpu time spent up to now is 46.1 secs Computing kpt #: 96 total cpu time spent up to now is 46.5 secs Computing kpt #: 97 total cpu time spent up to now is 47.0 secs Computing kpt #: 98 total cpu time spent up to now is 47.4 secs Computing kpt #: 99 total cpu time spent up to now is 47.8 secs Computing kpt #: 100 total cpu time spent up to now is 48.3 secs Computing kpt #: 101 total cpu time spent up to now is 48.8 secs Computing kpt #: 102 total cpu time spent up to now is 49.3 secs Computing kpt #: 103 total cpu time spent up to now is 49.7 secs Computing kpt #: 104 total cpu time spent up to now is 50.2 secs Computing kpt #: 105 total cpu time spent up to now is 50.7 secs Computing kpt #: 106 total cpu time spent up to now is 51.1 secs Computing kpt #: 107 total cpu time spent up to now is 51.6 secs Computing kpt #: 108 total cpu time spent up to now is 52.1 secs Computing kpt #: 109 total cpu time spent up to now is 52.6 secs Computing kpt #: 110 total cpu time spent up to now is 53.0 secs Computing kpt #: 111 total cpu time spent up to now is 53.5 secs Computing kpt #: 112 total cpu time spent up to now is 53.9 secs Computing kpt #: 113 total cpu time spent up to now is 54.3 secs Computing kpt #: 114 total cpu time spent up to now is 54.7 secs Computing kpt #: 115 total cpu time spent up to now is 55.1 secs Computing kpt #: 116 total cpu time spent up to now is 55.5 secs Computing kpt #: 117 total cpu time spent up to now is 55.9 secs Computing kpt #: 118 total cpu time spent up to now is 56.4 secs Computing kpt #: 119 total cpu time spent up to now is 56.8 secs Computing kpt #: 120 total cpu time spent up to now is 57.2 secs Computing kpt #: 121 total cpu time spent up to now is 57.6 secs Computing kpt #: 122 total cpu time spent up to now is 58.0 secs Computing kpt #: 123 total cpu time spent up to now is 58.5 secs Computing kpt #: 124 total cpu time spent up to now is 58.9 secs Computing kpt #: 125 total cpu time spent up to now is 59.4 secs Computing kpt #: 126 total cpu time spent up to now is 59.8 secs Computing kpt #: 127 total cpu time spent up to now is 60.2 secs Computing kpt #: 128 total cpu time spent up to now is 60.7 secs Computing kpt #: 129 total cpu time spent up to now is 61.2 secs Computing kpt #: 130 total cpu time spent up to now is 61.6 secs Computing kpt #: 131 total cpu time spent up to now is 62.0 secs Computing kpt #: 132 total cpu time spent up to now is 62.4 secs Computing kpt #: 133 total cpu time spent up to now is 62.8 secs Computing kpt #: 134 total cpu time spent up to now is 63.2 secs Computing kpt #: 135 total cpu time spent up to now is 63.6 secs Computing kpt #: 136 total cpu time spent up to now is 64.0 secs Computing kpt #: 137 total cpu time spent up to now is 64.5 secs Computing kpt #: 138 total cpu time spent up to now is 64.9 secs Computing kpt #: 139 total cpu time spent up to now is 65.3 secs Computing kpt #: 140 total cpu time spent up to now is 65.7 secs Computing kpt #: 141 total cpu time spent up to now is 66.1 secs Computing kpt #: 142 total cpu time spent up to now is 66.6 secs Computing kpt #: 143 total cpu time spent up to now is 67.1 secs Computing kpt #: 144 total cpu time spent up to now is 67.6 secs Computing kpt #: 145 total cpu time spent up to now is 68.2 secs Computing kpt #: 146 total cpu time spent up to now is 68.7 secs Computing kpt #: 147 total cpu time spent up to now is 69.3 secs Computing kpt #: 148 total cpu time spent up to now is 69.9 secs Computing kpt #: 149 total cpu time spent up to now is 70.6 secs Computing kpt #: 150 total cpu time spent up to now is 71.5 secs Computing kpt #: 151 total cpu time spent up to now is 72.3 secs Computing kpt #: 152 total cpu time spent up to now is 72.9 secs Computing kpt #: 153 total cpu time spent up to now is 73.5 secs Computing kpt #: 154 total cpu time spent up to now is 74.1 secs Computing kpt #: 155 total cpu time spent up to now is 74.7 secs Computing kpt #: 156 total cpu time spent up to now is 75.5 secs Computing kpt #: 157 total cpu time spent up to now is 76.2 secs Computing kpt #: 158 total cpu time spent up to now is 77.1 secs Computing kpt #: 159 total cpu time spent up to now is 77.9 secs Computing kpt #: 160 total cpu time spent up to now is 78.6 secs Computing kpt #: 161 total cpu time spent up to now is 79.3 secs Computing kpt #: 162 total cpu time spent up to now is 80.0 secs Computing kpt #: 163 total cpu time spent up to now is 80.7 secs Computing kpt #: 164 total cpu time spent up to now is 81.5 secs Computing kpt #: 165 total cpu time spent up to now is 82.2 secs Computing kpt #: 166 total cpu time spent up to now is 82.7 secs Computing kpt #: 167 total cpu time spent up to now is 83.3 secs Computing kpt #: 168 total cpu time spent up to now is 83.8 secs Computing kpt #: 169 total cpu time spent up to now is 84.4 secs Computing kpt #: 170 total cpu time spent up to now is 84.9 secs Computing kpt #: 171 total cpu time spent up to now is 85.4 secs Computing kpt #: 172 total cpu time spent up to now is 85.9 secs Computing kpt #: 173 total cpu time spent up to now is 86.4 secs Computing kpt #: 174 total cpu time spent up to now is 86.9 secs Computing kpt #: 175 total cpu time spent up to now is 87.3 secs Computing kpt #: 176 total cpu time spent up to now is 87.8 secs Computing kpt #: 177 total cpu time spent up to now is 88.3 secs Computing kpt #: 178 total cpu time spent up to now is 88.8 secs Computing kpt #: 179 total cpu time spent up to now is 89.2 secs Computing kpt #: 180 total cpu time spent up to now is 89.7 secs Computing kpt #: 181 total cpu time spent up to now is 90.2 secs Computing kpt #: 182 total cpu time spent up to now is 90.6 secs Computing kpt #: 183 total cpu time spent up to now is 91.1 secs Computing kpt #: 184 total cpu time spent up to now is 91.6 secs Computing kpt #: 185 total cpu time spent up to now is 92.0 secs Computing kpt #: 186 total cpu time spent up to now is 92.5 secs Computing kpt #: 187 total cpu time spent up to now is 93.0 secs Computing kpt #: 188 total cpu time spent up to now is 93.5 secs Computing kpt #: 189 total cpu time spent up to now is 94.0 secs Computing kpt #: 190 total cpu time spent up to now is 94.5 secs Computing kpt #: 191 total cpu time spent up to now is 95.0 secs Computing kpt #: 192 total cpu time spent up to now is 95.6 secs Computing kpt #: 193 total cpu time spent up to now is 96.2 secs Computing kpt #: 194 total cpu time spent up to now is 96.8 secs Computing kpt #: 195 total cpu time spent up to now is 97.3 secs Computing kpt #: 196 total cpu time spent up to now is 97.8 secs Computing kpt #: 197 total cpu time spent up to now is 98.4 secs Computing kpt #: 198 total cpu time spent up to now is 98.9 secs Computing kpt #: 199 total cpu time spent up to now is 99.5 secs Computing kpt #: 200 total cpu time spent up to now is 100.0 secs Computing kpt #: 201 total cpu time spent up to now is 100.5 secs Computing kpt #: 202 total cpu time spent up to now is 101.0 secs Computing kpt #: 203 total cpu time spent up to now is 101.5 secs Computing kpt #: 204 total cpu time spent up to now is 102.0 secs Computing kpt #: 205 total cpu time spent up to now is 102.4 secs Computing kpt #: 206 total cpu time spent up to now is 102.9 secs Computing kpt #: 207 total cpu time spent up to now is 103.4 secs Computing kpt #: 208 total cpu time spent up to now is 103.8 secs Computing kpt #: 209 total cpu time spent up to now is 104.2 secs Computing kpt #: 210 total cpu time spent up to now is 104.7 secs Computing kpt #: 211 total cpu time spent up to now is 105.2 secs Computing kpt #: 212 total cpu time spent up to now is 105.6 secs Computing kpt #: 213 total cpu time spent up to now is 106.0 secs Computing kpt #: 214 total cpu time spent up to now is 106.5 secs Computing kpt #: 215 total cpu time spent up to now is 107.0 secs Computing kpt #: 216 total cpu time spent up to now is 107.4 secs Computing kpt #: 217 total cpu time spent up to now is 107.9 secs Computing kpt #: 218 total cpu time spent up to now is 108.3 secs Computing kpt #: 219 total cpu time spent up to now is 108.8 secs Computing kpt #: 220 total cpu time spent up to now is 109.2 secs Computing kpt #: 221 total cpu time spent up to now is 109.7 secs Computing kpt #: 222 total cpu time spent up to now is 110.1 secs Computing kpt #: 223 total cpu time spent up to now is 110.6 secs Computing kpt #: 224 total cpu time spent up to now is 111.1 secs Computing kpt #: 225 total cpu time spent up to now is 111.5 secs Computing kpt #: 226 total cpu time spent up to now is 112.0 secs Computing kpt #: 227 total cpu time spent up to now is 112.4 secs Computing kpt #: 228 total cpu time spent up to now is 113.0 secs Computing kpt #: 229 total cpu time spent up to now is 113.4 secs Computing kpt #: 230 total cpu time spent up to now is 113.9 secs Computing kpt #: 231 total cpu time spent up to now is 114.4 secs Computing kpt #: 232 total cpu time spent up to now is 114.9 secs Computing kpt #: 233 total cpu time spent up to now is 115.4 secs Computing kpt #: 234 total cpu time spent up to now is 115.8 secs Computing kpt #: 235 total cpu time spent up to now is 116.2 secs Computing kpt #: 236 total cpu time spent up to now is 116.7 secs Computing kpt #: 237 total cpu time spent up to now is 117.1 secs Computing kpt #: 238 total cpu time spent up to now is 117.6 secs Computing kpt #: 239 total cpu time spent up to now is 118.0 secs Computing kpt #: 240 total cpu time spent up to now is 118.5 secs Computing kpt #: 241 total cpu time spent up to now is 119.0 secs Computing kpt #: 242 total cpu time spent up to now is 119.4 secs Computing kpt #: 243 total cpu time spent up to now is 119.9 secs Computing kpt #: 244 total cpu time spent up to now is 120.4 secs Computing kpt #: 245 total cpu time spent up to now is 121.0 secs Computing kpt #: 246 total cpu time spent up to now is 121.4 secs Computing kpt #: 247 total cpu time spent up to now is 122.0 secs Computing kpt #: 248 total cpu time spent up to now is 122.5 secs Computing kpt #: 249 total cpu time spent up to now is 122.9 secs Computing kpt #: 250 total cpu time spent up to now is 123.3 secs Computing kpt #: 251 total cpu time spent up to now is 123.8 secs Computing kpt #: 252 total cpu time spent up to now is 124.3 secs Computing kpt #: 253 total cpu time spent up to now is 124.8 secs Computing kpt #: 254 total cpu time spent up to now is 125.3 secs Computing kpt #: 255 total cpu time spent up to now is 125.8 secs Computing kpt #: 256 total cpu time spent up to now is 126.2 secs Computing kpt #: 257 total cpu time spent up to now is 126.6 secs Computing kpt #: 258 total cpu time spent up to now is 127.0 secs Computing kpt #: 259 total cpu time spent up to now is 127.4 secs Computing kpt #: 260 total cpu time spent up to now is 127.9 secs Computing kpt #: 261 total cpu time spent up to now is 128.3 secs Computing kpt #: 262 total cpu time spent up to now is 128.7 secs Computing kpt #: 263 total cpu time spent up to now is 129.1 secs Computing kpt #: 264 total cpu time spent up to now is 129.6 secs Computing kpt #: 265 total cpu time spent up to now is 130.0 secs Computing kpt #: 266 total cpu time spent up to now is 130.4 secs Computing kpt #: 267 total cpu time spent up to now is 130.9 secs Computing kpt #: 268 total cpu time spent up to now is 131.3 secs Computing kpt #: 269 total cpu time spent up to now is 131.8 secs Computing kpt #: 270 total cpu time spent up to now is 132.3 secs Computing kpt #: 271 total cpu time spent up to now is 132.8 secs Computing kpt #: 272 total cpu time spent up to now is 133.2 secs Computing kpt #: 273 total cpu time spent up to now is 133.7 secs Computing kpt #: 274 total cpu time spent up to now is 134.2 secs Computing kpt #: 275 total cpu time spent up to now is 134.6 secs Computing kpt #: 276 total cpu time spent up to now is 135.0 secs Computing kpt #: 277 total cpu time spent up to now is 135.5 secs Computing kpt #: 278 total cpu time spent up to now is 135.9 secs Computing kpt #: 279 total cpu time spent up to now is 136.4 secs Computing kpt #: 280 total cpu time spent up to now is 136.8 secs Computing kpt #: 281 total cpu time spent up to now is 137.2 secs Computing kpt #: 282 total cpu time spent up to now is 137.7 secs Computing kpt #: 283 total cpu time spent up to now is 138.2 secs Computing kpt #: 284 total cpu time spent up to now is 138.7 secs Computing kpt #: 285 total cpu time spent up to now is 139.2 secs Computing kpt #: 286 total cpu time spent up to now is 139.7 secs Computing kpt #: 287 total cpu time spent up to now is 140.2 secs Computing kpt #: 288 total cpu time spent up to now is 140.8 secs Computing kpt #: 289 total cpu time spent up to now is 141.4 secs Computing kpt #: 290 total cpu time spent up to now is 141.8 secs Computing kpt #: 291 total cpu time spent up to now is 142.3 secs Computing kpt #: 292 total cpu time spent up to now is 142.7 secs Computing kpt #: 293 total cpu time spent up to now is 143.2 secs Computing kpt #: 294 total cpu time spent up to now is 143.6 secs Computing kpt #: 295 total cpu time spent up to now is 144.0 secs Computing kpt #: 296 total cpu time spent up to now is 144.4 secs Computing kpt #: 297 total cpu time spent up to now is 144.9 secs Computing kpt #: 298 total cpu time spent up to now is 145.4 secs Computing kpt #: 299 total cpu time spent up to now is 145.8 secs Computing kpt #: 300 total cpu time spent up to now is 146.2 secs Computing kpt #: 301 total cpu time spent up to now is 146.6 secs Computing kpt #: 302 total cpu time spent up to now is 147.1 secs Computing kpt #: 303 total cpu time spent up to now is 147.6 secs Computing kpt #: 304 total cpu time spent up to now is 148.0 secs Computing kpt #: 305 total cpu time spent up to now is 148.4 secs Computing kpt #: 306 total cpu time spent up to now is 148.9 secs Computing kpt #: 307 total cpu time spent up to now is 149.4 secs Computing kpt #: 308 total cpu time spent up to now is 149.8 secs Computing kpt #: 309 total cpu time spent up to now is 150.4 secs Computing kpt #: 310 total cpu time spent up to now is 150.8 secs Computing kpt #: 311 total cpu time spent up to now is 151.2 secs Computing kpt #: 312 total cpu time spent up to now is 151.7 secs Computing kpt #: 313 total cpu time spent up to now is 152.2 secs Computing kpt #: 314 total cpu time spent up to now is 152.6 secs Computing kpt #: 315 total cpu time spent up to now is 153.1 secs Computing kpt #: 316 total cpu time spent up to now is 153.5 secs Computing kpt #: 317 total cpu time spent up to now is 154.0 secs Computing kpt #: 318 total cpu time spent up to now is 154.4 secs Computing kpt #: 319 total cpu time spent up to now is 154.9 secs Computing kpt #: 320 total cpu time spent up to now is 155.4 secs Computing kpt #: 321 total cpu time spent up to now is 155.8 secs Computing kpt #: 322 total cpu time spent up to now is 156.3 secs Computing kpt #: 323 total cpu time spent up to now is 156.8 secs Computing kpt #: 324 total cpu time spent up to now is 157.2 secs Computing kpt #: 325 total cpu time spent up to now is 157.7 secs Computing kpt #: 326 total cpu time spent up to now is 158.2 secs Computing kpt #: 327 total cpu time spent up to now is 158.6 secs Computing kpt #: 328 total cpu time spent up to now is 159.1 secs Computing kpt #: 329 total cpu time spent up to now is 159.6 secs Computing kpt #: 330 total cpu time spent up to now is 160.1 secs Computing kpt #: 331 total cpu time spent up to now is 160.6 secs Computing kpt #: 332 total cpu time spent up to now is 161.0 secs Computing kpt #: 333 total cpu time spent up to now is 161.5 secs Computing kpt #: 334 total cpu time spent up to now is 162.0 secs Computing kpt #: 335 total cpu time spent up to now is 162.5 secs Computing kpt #: 336 total cpu time spent up to now is 163.0 secs Computing kpt #: 337 total cpu time spent up to now is 163.5 secs ethr = 4.17E-08, avg # of iterations = 20.3 total cpu time spent up to now is 163.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7391 PWs) bands (ev): -37.5028 -37.5028 -37.3667 -37.3667 -13.0096 -13.0096 -13.0096 -13.0096 -12.0016 -12.0016 -11.9702 -11.9702 -11.9702 -11.9702 -2.8671 -2.8671 7.3544 7.3544 7.9492 7.9492 8.3168 8.3168 8.3168 8.3168 9.0997 9.0997 9.4207 9.4207 9.4207 9.4207 13.0108 13.0108 k = 0.0098-0.0057 0.0080 ( 7391 PWs) bands (ev): -37.5028 -37.5028 -37.3667 -37.3667 -13.0097 -13.0097 -13.0096 -13.0096 -12.0016 -12.0016 -11.9703 -11.9703 -11.9702 -11.9702 -2.8659 -2.8659 7.3265 7.3265 7.9516 7.9516 8.2970 8.2970 8.3281 8.3281 9.1139 9.1139 9.4260 9.4260 9.4362 9.4362 13.0057 13.0057 k = 0.0196-0.0113 0.0160 ( 7383 PWs) bands (ev): -37.5027 -37.5027 -37.3667 -37.3667 -13.0097 -13.0097 -13.0095 -13.0095 -12.0016 -12.0016 -11.9703 -11.9703 -11.9701 -11.9701 -2.8623 -2.8623 7.2522 7.2522 7.9454 7.9454 8.2426 8.2426 8.3678 8.3678 9.1489 9.1489 9.4445 9.4445 9.4809 9.4809 12.9730 12.9730 k = 0.0294-0.0170 0.0240 ( 7383 PWs) bands (ev): -37.5027 -37.5027 -37.3667 -37.3667 -13.0097 -13.0097 -13.0095 -13.0095 -12.0015 -12.0015 -11.9703 -11.9703 -11.9701 -11.9701 -2.8564 -2.8564 7.1486 7.1486 7.9128 7.9128 8.1638 8.1638 8.4412 8.4412 9.1871 9.1871 9.4837 9.4837 9.5501 9.5501 12.9007 12.9007 k = 0.0392-0.0226 0.0320 ( 7371 PWs) bands (ev): -37.5027 -37.5027 -37.3667 -37.3667 -13.0097 -13.0097 -13.0094 -13.0094 -12.0015 -12.0015 -11.9703 -11.9703 -11.9700 -11.9700 -2.8480 -2.8480 7.0279 7.0279 7.8537 7.8537 8.0701 8.0701 8.5413 8.5413 9.2134 9.2134 9.5494 9.5494 9.6382 9.6382 12.8023 12.8023 k = 0.0490-0.0283 0.0400 ( 7363 PWs) bands (ev): -37.5026 -37.5026 -37.3667 -37.3667 -13.0097 -13.0097 -13.0093 -13.0093 -12.0014 -12.0014 -11.9703 -11.9703 -11.9700 -11.9700 -2.8373 -2.8373 6.8974 6.8974 7.7759 7.7759 7.9674 7.9674 8.6577 8.6577 9.2240 9.2240 9.6394 9.6394 9.7404 9.7404 12.6874 12.6874 k = 0.0588-0.0340 0.0480 ( 7351 PWs) bands (ev): -37.5026 -37.5026 -37.3668 -37.3668 -13.0096 -13.0096 -13.0092 -13.0092 -12.0012 -12.0012 -11.9703 -11.9703 -11.9699 -11.9699 -2.8241 -2.8241 6.7607 6.7607 7.6862 7.6862 7.8597 7.8597 8.7830 8.7830 9.2230 9.2230 9.7462 9.7462 9.8529 9.8529 12.5624 12.5624 k = 0.0686-0.0396 0.0560 ( 7351 PWs) bands (ev): -37.5025 -37.5025 -37.3668 -37.3668 -13.0096 -13.0096 -13.0091 -13.0091 -12.0011 -12.0011 -11.9703 -11.9703 -11.9698 -11.9698 -2.8086 -2.8086 6.6200 6.6200 7.5892 7.5892 7.7493 7.7493 8.9121 8.9121 9.2149 9.2149 9.8636 9.8636 9.9728 9.9728 12.4320 12.4320 k = 0.0784-0.0453 0.0640 ( 7355 PWs) bands (ev): -37.5025 -37.5025 -37.3669 -37.3669 -13.0096 -13.0096 -13.0090 -13.0090 -12.0010 -12.0010 -11.9703 -11.9703 -11.9697 -11.9697 -2.7907 -2.7907 6.4766 6.4766 7.4878 7.4878 7.6376 7.6376 9.0395 9.0395 9.2052 9.2052 9.9874 9.9874 10.0980 10.0980 12.2999 12.2999 k = 0.0882-0.0509 0.0720 ( 7347 PWs) bands (ev): -37.5024 -37.5024 -37.3669 -37.3669 -13.0096 -13.0096 -13.0088 -13.0088 -12.0008 -12.0008 -11.9702 -11.9702 -11.9696 -11.9696 -2.7704 -2.7704 6.3311 6.3311 7.3839 7.3839 7.5257 7.5257 9.1355 9.1355 9.2228 9.2228 10.1155 10.1155 10.2272 10.2272 12.1692 12.1692 k = 0.0980-0.0566 0.0800 ( 7347 PWs) bands (ev): -37.5023 -37.5023 -37.3670 -37.3670 -13.0095 -13.0095 -13.0087 -13.0087 -12.0006 -12.0006 -11.9702 -11.9702 -11.9695 -11.9695 -2.7477 -2.7477 6.1841 6.1841 7.2788 7.2788 7.4143 7.4143 9.1398 9.1398 9.3271 9.3271 10.2462 10.2462 10.3590 10.3590 12.0428 12.0428 k = 0.1078-0.0623 0.0881 ( 7355 PWs) bands (ev): -37.5022 -37.5022 -37.3671 -37.3671 -13.0095 -13.0095 -13.0085 -13.0085 -12.0004 -12.0004 -11.9702 -11.9702 -11.9694 -11.9694 -2.7227 -2.7227 6.0359 6.0359 7.1734 7.1734 7.3038 7.3038 9.1192 9.1192 9.4500 9.4500 10.3783 10.3783 10.4926 10.4926 11.9235 11.9235 k = 0.1176-0.0679 0.0961 ( 7351 PWs) bands (ev): -37.5022 -37.5022 -37.3671 -37.3671 -13.0094 -13.0094 -13.0083 -13.0083 -12.0002 -12.0002 -11.9701 -11.9701 -11.9693 -11.9693 -2.6952 -2.6952 5.8869 5.8869 7.0684 7.0684 7.1946 7.1946 9.0935 9.0935 9.5697 9.5697 10.5112 10.5112 10.6274 10.6274 11.8143 11.8143 k = 0.1275-0.0736 0.1041 ( 7351 PWs) bands (ev): -37.5021 -37.5021 -37.3672 -37.3672 -13.0094 -13.0094 -13.0082 -13.0082 -12.0000 -12.0000 -11.9700 -11.9700 -11.9692 -11.9692 -2.6654 -2.6654 5.7370 5.7370 6.9642 6.9642 7.0869 7.0869 9.0652 9.0652 9.6811 9.6811 10.6442 10.6442 10.7628 10.7628 11.7189 11.7189 k = 0.1373-0.0792 0.1121 ( 7347 PWs) bands (ev): -37.5020 -37.5020 -37.3673 -37.3673 -13.0093 -13.0093 -13.0080 -13.0080 -11.9998 -11.9998 -11.9700 -11.9700 -11.9691 -11.9691 -2.6332 -2.6332 5.5865 5.5865 6.8613 6.8613 6.9810 6.9810 9.0351 9.0351 9.7800 9.7800 10.7764 10.7764 10.8982 10.8982 11.6418 11.6418 k = 0.1471-0.0849 0.1201 ( 7335 PWs) bands (ev): -37.5018 -37.5018 -37.3674 -37.3674 -13.0093 -13.0093 -13.0077 -13.0077 -11.9995 -11.9995 -11.9699 -11.9699 -11.9689 -11.9689 -2.5986 -2.5986 5.4355 5.4355 6.7598 6.7598 6.8770 6.8770 9.0037 9.0037 9.8617 9.8617 10.9073 10.9073 11.0333 11.0333 11.5880 11.5880 k = 0.1569-0.0906 0.1281 ( 7335 PWs) bands (ev): -37.5017 -37.5017 -37.3675 -37.3675 -13.0092 -13.0092 -13.0075 -13.0075 -11.9993 -11.9993 -11.9698 -11.9698 -11.9688 -11.9688 -2.5617 -2.5617 5.2840 5.2840 6.6600 6.6600 6.7751 6.7751 8.9711 8.9711 9.9215 9.9215 11.0360 11.0360 11.1678 11.1678 11.5630 11.5630 k = 0.1667-0.0962 0.1361 ( 7335 PWs) bands (ev): -37.5016 -37.5016 -37.3676 -37.3676 -13.0092 -13.0092 -13.0073 -13.0073 -11.9990 -11.9990 -11.9697 -11.9697 -11.9686 -11.9686 -2.5224 -2.5224 5.1322 5.1322 6.5622 6.5622 6.6754 6.6754 8.9378 8.9378 9.9559 9.9559 11.1617 11.1617 11.3014 11.3014 11.5712 11.5712 k = 0.1765-0.1019 0.1441 ( 7327 PWs) bands (ev): -37.5015 -37.5015 -37.3677 -37.3677 -13.0091 -13.0091 -13.0070 -13.0070 -11.9988 -11.9988 -11.9696 -11.9696 -11.9685 -11.9685 -2.4807 -2.4807 4.9802 4.9802 6.4665 6.4665 6.5779 6.5779 8.9039 8.9039 9.9639 9.9639 11.2837 11.2837 11.4339 11.4339 11.6142 11.6142 k = 0.1863-0.1075 0.1521 ( 7331 PWs) bands (ev): -37.5014 -37.5014 -37.3678 -37.3678 -13.0090 -13.0090 -13.0068 -13.0068 -11.9985 -11.9985 -11.9695 -11.9695 -11.9683 -11.9683 -2.4367 -2.4367 4.8279 4.8279 6.3729 6.3729 6.4829 6.4829 8.8695 8.8695 9.9475 9.9475 11.4027 11.4027 11.5652 11.5652 11.6893 11.6893 k = 0.1961-0.1132 0.1601 ( 7331 PWs) bands (ev): -37.5012 -37.5012 -37.3679 -37.3679 -13.0090 -13.0090 -13.0065 -13.0065 -11.9983 -11.9983 -11.9694 -11.9694 -11.9681 -11.9681 -2.3902 -2.3902 4.6756 4.6756 6.2816 6.2816 6.3903 6.3903 8.8349 8.8349 9.9110 9.9110 11.5205 11.5205 11.6952 11.6952 11.7905 11.7905 k = 0.2059-0.1189 0.1681 ( 7339 PWs) bands (ev): -37.5011 -37.5011 -37.3680 -37.3680 -13.0089 -13.0089 -13.0063 -13.0063 -11.9980 -11.9980 -11.9693 -11.9693 -11.9679 -11.9679 -2.3415 -2.3415 4.5232 4.5232 6.1927 6.1927 6.3002 6.3002 8.8002 8.8002 9.8596 9.8596 11.6392 11.6392 11.8242 11.8242 11.9106 11.9106 k = 0.2157-0.1245 0.1761 ( 7335 PWs) bands (ev): -37.5010 -37.5010 -37.3682 -37.3682 -13.0088 -13.0088 -13.0060 -13.0060 -11.9977 -11.9977 -11.9692 -11.9692 -11.9677 -11.9677 -2.2904 -2.2904 4.3708 4.3708 6.1062 6.1062 6.2127 6.2127 8.7656 8.7656 9.7977 9.7977 11.7596 11.7596 11.9522 11.9522 12.0439 12.0439 k = 0.2255-0.1302 0.1841 ( 7335 PWs) bands (ev): -37.5008 -37.5008 -37.3683 -37.3683 -13.0088 -13.0088 -13.0057 -13.0057 -11.9975 -11.9975 -11.9690 -11.9690 -11.9675 -11.9675 -2.2369 -2.2369 4.2186 4.2186 6.0223 6.0223 6.1278 6.1278 8.7310 8.7310 9.7293 9.7293 11.8817 11.8817 12.0791 12.0791 12.1872 12.1872 k = 0.2353-0.1358 0.1921 ( 7331 PWs) bands (ev): -37.5007 -37.5007 -37.3684 -37.3684 -13.0087 -13.0087 -13.0055 -13.0055 -11.9972 -11.9972 -11.9689 -11.9689 -11.9673 -11.9673 -2.1812 -2.1812 4.0666 4.0666 5.9410 5.9410 6.0456 6.0456 8.6968 8.6968 9.6571 9.6571 12.0049 12.0049 12.2050 12.2050 12.3383 12.3383 k = 0.2451-0.1415 0.2001 ( 7331 PWs) bands (ev): -37.5006 -37.5006 -37.3685 -37.3685 -13.0086 -13.0086 -13.0052 -13.0052 -11.9970 -11.9970 -11.9688 -11.9688 -11.9671 -11.9671 -2.1231 -2.1231 3.9148 3.9148 5.8623 5.8623 5.9661 5.9661 8.6629 8.6629 9.5831 9.5831 12.1285 12.1285 12.3301 12.3301 12.4960 12.4960 k = 0.2549-0.1472 0.2081 ( 7331 PWs) bands (ev): -37.5004 -37.5004 -37.3687 -37.3687 -13.0085 -13.0085 -13.0049 -13.0049 -11.9967 -11.9967 -11.9687 -11.9687 -11.9668 -11.9668 -2.0627 -2.0627 3.7635 3.7635 5.7862 5.7862 5.8894 5.8894 8.6295 8.6295 9.5088 9.5088 12.2523 12.2523 12.4544 12.4544 12.6594 12.6594 k = 0.2647-0.1528 0.2161 ( 7331 PWs) bands (ev): -37.5003 -37.5003 -37.3688 -37.3688 -13.0085 -13.0085 -13.0046 -13.0046 -11.9965 -11.9965 -11.9686 -11.9686 -11.9666 -11.9666 -1.9999 -1.9999 3.6127 3.6127 5.7129 5.7129 5.8154 5.8154 8.5965 8.5965 9.4354 9.4354 12.3759 12.3759 12.5782 12.5782 12.8275 12.8275 k = 0.2745-0.1585 0.2241 ( 7315 PWs) bands (ev): -37.5001 -37.5001 -37.3689 -37.3689 -13.0084 -13.0084 -13.0043 -13.0043 -11.9963 -11.9963 -11.9684 -11.9684 -11.9663 -11.9663 -1.9350 -1.9350 3.4624 3.4624 5.6424 5.6424 5.7442 5.7442 8.5643 8.5643 9.3635 9.3635 12.4995 12.4995 12.7017 12.7017 12.9998 12.9998 k = 0.2843-0.1641 0.2321 ( 7299 PWs) bands (ev): -37.5000 -37.5000 -37.3690 -37.3690 -13.0083 -13.0083 -13.0041 -13.0041 -11.9961 -11.9961 -11.9683 -11.9683 -11.9660 -11.9660 -1.8677 -1.8677 3.3129 3.3129 5.5747 5.5747 5.6759 5.6759 8.5326 8.5326 9.2938 9.2938 12.6230 12.6230 12.8250 12.8250 13.1757 13.1757 k = 0.2941-0.1698 0.2401 ( 7299 PWs) bands (ev): -37.4998 -37.4998 -37.3691 -37.3691 -13.0083 -13.0083 -13.0038 -13.0038 -11.9958 -11.9958 -11.9682 -11.9682 -11.9658 -11.9658 -1.7982 -1.7982 3.1641 3.1641 5.5098 5.5098 5.6105 5.6105 8.5018 8.5018 9.2266 9.2266 12.7467 12.7467 12.9483 12.9483 13.3547 13.3547 k = 0.3039-0.1755 0.2482 ( 7303 PWs) bands (ev): -37.4997 -37.4997 -37.3692 -37.3692 -13.0082 -13.0082 -13.0035 -13.0035 -11.9956 -11.9956 -11.9681 -11.9681 -11.9655 -11.9655 -1.7265 -1.7265 3.0162 3.0162 5.4477 5.4477 5.5479 5.5479 8.4717 8.4717 9.1622 9.1622 12.8706 12.8706 13.0719 13.0719 13.5363 13.5363 k = 0.3137-0.1811 0.2562 ( 7303 PWs) bands (ev): -37.4996 -37.4996 -37.3694 -37.3694 -13.0081 -13.0081 -13.0033 -13.0033 -11.9955 -11.9955 -11.9679 -11.9679 -11.9652 -11.9652 -1.6526 -1.6526 2.8693 2.8693 5.3886 5.3886 5.4883 5.4883 8.4425 8.4425 9.1009 9.1009 12.9949 12.9949 13.1958 13.1958 13.7202 13.7202 k = 0.3235-0.1868 0.2642 ( 7307 PWs) bands (ev): -37.4995 -37.4995 -37.3695 -37.3695 -13.0081 -13.0081 -13.0030 -13.0030 -11.9953 -11.9953 -11.9678 -11.9678 -11.9650 -11.9650 -1.5765 -1.5765 2.7235 2.7235 5.3323 5.3323 5.4316 5.4316 8.4143 8.4143 9.0427 9.0427 13.1198 13.1198 13.3202 13.3202 13.9060 13.9060 k = 0.3333-0.1925 0.2722 ( 7311 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0080 -13.0080 -13.0028 -13.0028 -11.9951 -11.9951 -11.9677 -11.9677 -11.9647 -11.9647 -1.4983 -1.4983 2.5789 2.5789 5.2790 5.2790 5.3779 5.3779 8.3870 8.3870 8.9879 8.9879 13.2453 13.2453 13.4453 13.4453 14.0935 14.0935 k = 0.3431-0.1981 0.2802 ( 7311 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0079 -13.0079 -13.0025 -13.0025 -11.9950 -11.9950 -11.9676 -11.9676 -11.9644 -11.9644 -1.4181 -1.4181 2.4356 2.4356 5.2286 5.2286 5.3272 5.3272 8.3608 8.3608 8.9364 8.9364 13.3717 13.3717 13.5711 13.5711 14.2821 14.2821 k = 0.3529-0.2038 0.2882 ( 7291 PWs) bands (ev): -37.4991 -37.4991 -37.3698 -37.3698 -13.0079 -13.0079 -13.0023 -13.0023 -11.9948 -11.9948 -11.9675 -11.9675 -11.9641 -11.9641 -1.3358 -1.3358 2.2938 2.2938 5.1812 5.1812 5.2794 5.2794 8.3358 8.3358 8.8883 8.8883 13.4989 13.4989 13.6977 13.6977 14.4717 14.4717 k = 0.3627-0.2094 0.2962 ( 7291 PWs) bands (ev): -37.4990 -37.4990 -37.3699 -37.3699 -13.0078 -13.0078 -13.0021 -13.0021 -11.9947 -11.9947 -11.9674 -11.9674 -11.9639 -11.9639 -1.2517 -1.2517 2.1536 2.1536 5.1368 5.1368 5.2347 5.2347 8.3118 8.3118 8.8436 8.8436 13.6270 13.6270 13.8250 13.8250 14.6618 14.6618 k = 0.3725-0.2151 0.3042 ( 7279 PWs) bands (ev): -37.4989 -37.4989 -37.3700 -37.3700 -13.0078 -13.0078 -13.0019 -13.0019 -11.9945 -11.9945 -11.9673 -11.9673 -11.9636 -11.9636 -1.1657 -1.1657 2.0152 2.0152 5.0954 5.0954 5.1930 5.1930 8.2892 8.2892 8.8023 8.8023 13.7561 13.7561 13.9532 13.9532 14.8520 14.8520 k = 0.3824-0.2208 0.3122 ( 7275 PWs) bands (ev): -37.4988 -37.4988 -37.3701 -37.3701 -13.0077 -13.0077 -13.0017 -13.0017 -11.9944 -11.9944 -11.9672 -11.9672 -11.9634 -11.9634 -1.0780 -1.0780 1.8787 1.8787 5.0570 5.0570 5.1543 5.1543 8.2678 8.2678 8.7643 8.7643 13.8861 13.8861 14.0820 14.0820 15.0420 15.0420 k = 0.3922-0.2264 0.3202 ( 7275 PWs) bands (ev): -37.4987 -37.4987 -37.3701 -37.3701 -13.0077 -13.0077 -13.0015 -13.0015 -11.9943 -11.9943 -11.9671 -11.9671 -11.9632 -11.9632 -0.9887 -0.9887 1.7444 1.7444 5.0216 5.0216 5.1187 5.1187 8.2478 8.2478 8.7296 8.7296 14.0170 14.0170 14.2114 14.2114 15.2311 15.2311 k = 0.4020-0.2321 0.3282 ( 7287 PWs) bands (ev): -37.4986 -37.4986 -37.3702 -37.3702 -13.0076 -13.0076 -13.0013 -13.0013 -11.9942 -11.9942 -11.9670 -11.9670 -11.9630 -11.9630 -0.8981 -0.8981 1.6124 1.6124 4.9892 4.9892 5.0861 5.0861 8.2293 8.2293 8.6982 8.6982 14.1486 14.1486 14.3411 14.3411 15.4187 15.4187 k = 0.4118-0.2377 0.3362 ( 7279 PWs) bands (ev): -37.4985 -37.4985 -37.3703 -37.3703 -13.0076 -13.0076 -13.0011 -13.0011 -11.9941 -11.9941 -11.9670 -11.9670 -11.9628 -11.9628 -0.8065 -0.8065 1.4833 1.4833 4.9599 4.9599 5.0566 5.0566 8.2123 8.2123 8.6701 8.6701 14.2807 14.2807 14.4707 14.4707 15.6040 15.6040 k = 0.4216-0.2434 0.3442 ( 7271 PWs) bands (ev): -37.4984 -37.4984 -37.3703 -37.3703 -13.0075 -13.0075 -13.0010 -13.0010 -11.9940 -11.9940 -11.9669 -11.9669 -11.9626 -11.9626 -0.7142 -0.7142 1.3574 1.3574 4.9337 4.9337 5.0302 5.0302 8.1968 8.1968 8.6451 8.6451 14.4130 14.4130 14.5996 14.5996 15.7859 15.7859 k = 0.4314-0.2491 0.3522 ( 7275 PWs) bands (ev): -37.4984 -37.4984 -37.3704 -37.3704 -13.0075 -13.0075 -13.0009 -13.0009 -11.9940 -11.9940 -11.9668 -11.9668 -11.9624 -11.9624 -0.6219 -0.6219 1.2352 1.2352 4.9105 4.9105 5.0069 5.0069 8.1830 8.1830 8.6232 8.6232 14.5449 14.5449 14.7270 14.7270 15.9630 15.9630 k = 0.4412-0.2547 0.3602 ( 7275 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0075 -13.0075 -13.0008 -13.0008 -11.9939 -11.9939 -11.9668 -11.9668 -11.9623 -11.9623 -0.5305 -0.5305 1.1179 1.1179 4.8905 4.8905 4.9867 4.9867 8.1709 8.1709 8.6043 8.6043 14.6755 14.6755 14.8512 14.8512 16.1334 16.1334 k = 0.4510-0.2604 0.3682 ( 7276 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0075 -13.0075 -13.0007 -13.0007 -11.9939 -11.9939 -11.9668 -11.9668 -11.9621 -11.9621 -0.4412 -0.4412 1.0066 1.0066 4.8734 4.8734 4.9695 4.9695 8.1606 8.1606 8.5885 8.5885 14.8037 14.8037 14.9701 14.9701 16.2943 16.2943 k = 0.4608-0.2660 0.3762 ( 7272 PWs) bands (ev): -37.4982 -37.4982 -37.3705 -37.3705 -13.0074 -13.0074 -13.0006 -13.0006 -11.9938 -11.9938 -11.9667 -11.9667 -11.9620 -11.9620 -0.3562 -0.3562 0.9037 0.9037 4.8595 4.8595 4.9555 4.9555 8.1521 8.1521 8.5756 8.5756 14.9273 14.9273 15.0800 15.0800 16.4417 16.4417 k = 0.4706-0.2717 0.3842 ( 7272 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0074 -13.0074 -13.0005 -13.0005 -11.9938 -11.9938 -11.9667 -11.9667 -11.9620 -11.9620 -0.2789 -0.2789 0.8123 0.8123 4.8487 4.8487 4.9446 4.9446 8.1454 8.1454 8.5656 8.5656 15.0431 15.0431 15.1748 15.1748 16.4531 16.4531 k = 0.4804-0.2774 0.3922 ( 7280 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0074 -13.0074 -13.0005 -13.0005 -11.9938 -11.9938 -11.9667 -11.9667 -11.9619 -11.9619 -0.2145 -0.2145 0.7380 0.7380 4.8409 4.8409 4.9368 4.9368 8.1406 8.1406 8.5585 8.5585 15.1456 15.1456 15.2458 15.2458 16.3641 16.3641 k = 0.4902-0.2830 0.4002 ( 7280 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0074 -13.0074 -13.0005 -13.0005 -11.9938 -11.9938 -11.9667 -11.9667 -11.9619 -11.9619 -0.1706 -0.1706 0.6879 0.6879 4.8363 4.8363 4.9321 4.9321 8.1377 8.1377 8.5542 8.5542 15.2266 15.2266 15.2819 15.2819 16.3067 16.3067 k = 0.5000-0.2887 0.4082 ( 7296 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0074 -13.0074 -13.0005 -13.0005 -11.9938 -11.9938 -11.9667 -11.9667 -11.9619 -11.9619 -0.1547 -0.1547 0.6701 0.6701 4.8347 4.8347 4.9306 4.9306 8.1367 8.1367 8.5528 8.5528 15.2751 15.2751 15.2752 15.2752 16.2870 16.2870 k = 0.5000-0.2887 0.4082 ( 7296 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0074 -13.0074 -13.0005 -13.0005 -11.9938 -11.9938 -11.9667 -11.9667 -11.9619 -11.9619 -0.1547 -0.1547 0.6701 0.6701 4.8347 4.8347 4.9306 4.9306 8.1367 8.1367 8.5528 8.5528 15.2751 15.2751 15.2752 15.2752 16.2870 16.2870 k = 0.5000-0.2776 0.4161 ( 7270 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0076 -13.0072 -13.0005 -13.0004 -11.9941 -11.9934 -11.9667 -11.9666 -11.9620 -11.9617 -0.1558 -0.1533 0.6696 0.6708 4.8269 4.8387 4.9267 4.9306 8.1372 8.1465 8.5562 8.5594 15.2515 15.2657 15.2685 15.2772 16.2655 16.2804 k = 0.5000-0.2665 0.4240 ( 7278 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0078 -13.0071 -13.0005 -13.0003 -11.9945 -11.9930 -11.9668 -11.9665 -11.9622 -11.9616 -0.1567 -0.1516 0.6695 0.6719 4.8154 4.8389 4.9189 4.9267 8.1479 8.1664 8.5696 8.5759 15.1971 15.2244 15.2554 15.2730 16.2132 16.2429 k = 0.5000-0.2554 0.4318 ( 7278 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0079 -13.0069 -13.0006 -13.0003 -11.9949 -11.9925 -11.9668 -11.9664 -11.9625 -11.9614 -0.1572 -0.1496 0.6696 0.6732 4.8004 4.8354 4.9075 4.9190 8.1688 8.1962 8.5929 8.6023 15.1141 15.1524 15.2344 15.2614 16.1314 16.1744 k = 0.5000-0.2443 0.4397 ( 7278 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0081 -13.0067 -13.0006 -13.0002 -11.9952 -11.9921 -11.9669 -11.9664 -11.9627 -11.9613 -0.1575 -0.1474 0.6700 0.6748 4.7821 4.8283 4.8928 4.9077 8.1995 8.2356 8.6259 8.6382 15.0059 15.0526 15.2021 15.2392 16.0319 16.0864 k = 0.5000-0.2332 0.4475 ( 7274 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0083 -13.0066 -13.0007 -13.0002 -11.9955 -11.9917 -11.9670 -11.9663 -11.9630 -11.9612 -0.1575 -0.1449 0.6707 0.6766 4.7608 4.8180 4.8750 4.8931 8.2399 8.2842 8.6682 8.6834 14.8768 14.9294 15.1541 15.2009 15.9296 15.9944 k = 0.5000-0.2221 0.4554 ( 7274 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0084 -13.0064 -13.0007 -13.0001 -11.9958 -11.9912 -11.9670 -11.9662 -11.9632 -11.9612 -0.1572 -0.1422 0.6717 0.6787 4.7371 4.8047 4.8546 4.8756 8.2894 8.3416 8.7195 8.7375 14.7309 14.7873 15.0853 15.1396 15.8381 15.9104 k = 0.5000-0.2110 0.4632 ( 7272 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0086 -13.0063 -13.0008 -13.0001 -11.9961 -11.9907 -11.9671 -11.9661 -11.9635 -11.9611 -0.1567 -0.1393 0.6729 0.6810 4.7112 4.7889 4.8320 4.8555 8.3477 8.4072 8.7794 8.7999 14.5721 14.6308 14.9923 15.0498 15.7670 15.8424 k = 0.5000-0.1999 0.4711 ( 7276 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0088 -13.0061 -13.0008 -13.0000 -11.9964 -11.9903 -11.9671 -11.9660 -11.9638 -11.9611 -0.1559 -0.1363 0.6743 0.6835 4.6837 4.7709 4.8076 4.8332 8.4143 8.4805 8.8474 8.8703 14.4038 14.4637 14.8751 14.9311 15.7195 15.7934 k = 0.5000-0.1887 0.4789 ( 7284 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0089 -13.0060 -13.0008 -13.0000 -11.9967 -11.9898 -11.9672 -11.9659 -11.9641 -11.9611 -0.1550 -0.1331 0.6759 0.6862 4.6550 4.7512 4.7818 4.8094 8.4884 8.5610 8.9230 8.9482 14.2288 14.2890 14.7372 14.7886 15.6927 15.7623 k = 0.5000-0.1776 0.4868 ( 7284 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0091 -13.0059 -13.0008 -12.9999 -11.9970 -11.9893 -11.9673 -11.9658 -11.9644 -11.9611 -0.1539 -0.1298 0.6776 0.6890 4.6255 4.7302 4.7551 4.7843 8.5697 8.6481 9.0056 9.0330 14.0492 14.1092 14.5834 14.6294 15.6814 15.7458 k = 0.5000-0.1665 0.4946 ( 7284 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0092 -13.0057 -13.0009 -12.9999 -11.9972 -11.9889 -11.9673 -11.9656 -11.9647 -11.9612 -0.1527 -0.1264 0.6795 0.6919 4.5957 4.7083 4.7280 4.7585 8.6575 8.7414 9.0947 9.1243 13.8668 13.9262 14.4186 14.4592 15.6809 15.7404 k = 0.5000-0.1554 0.5025 ( 7286 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0094 -13.0056 -13.0009 -12.9998 -11.9974 -11.9884 -11.9674 -11.9655 -11.9650 -11.9612 -0.1513 -0.1230 0.6815 0.6948 4.5660 4.6859 4.7008 4.7323 8.7511 8.8402 9.1897 9.2213 13.6832 13.7415 14.2468 14.2823 15.6883 15.7435 k = 0.5000-0.1443 0.5103 ( 7294 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0095 -13.0055 -13.0009 -12.9998 -11.9976 -11.9879 -11.9676 -11.9654 -11.9653 -11.9613 -0.1498 -0.1195 0.6835 0.6978 4.5368 4.6635 4.6738 4.7062 8.8500 8.9440 9.2900 9.3236 13.4996 13.5566 14.0708 14.1019 15.7013 15.7531 k = 0.5000-0.1332 0.5182 ( 7304 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0096 -13.0054 -13.0009 -12.9997 -11.9978 -11.9875 -11.9677 -11.9655 -11.9653 -11.9614 -0.1483 -0.1162 0.6856 0.7008 4.5083 4.6414 4.6475 4.6806 8.9535 9.0521 9.3949 9.4304 13.3170 13.3724 13.8930 13.9202 15.7187 15.7679 k = 0.5000-0.1221 0.5260 ( 7304 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0098 -13.0053 -13.0009 -12.9997 -11.9980 -11.9870 -11.9679 -11.9658 -11.9651 -11.9615 -0.1468 -0.1129 0.6877 0.7037 4.4810 4.6200 4.6222 4.6557 9.0608 9.1640 9.5036 9.5412 13.1365 13.1900 13.7153 13.7388 15.7396 15.7870 k = 0.5000-0.1110 0.5339 ( 7308 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0099 -13.0052 -13.0010 -12.9997 -11.9982 -11.9866 -11.9681 -11.9660 -11.9650 -11.9616 -0.1452 -0.1097 0.6898 0.7065 4.4552 4.5981 4.5994 4.6320 9.1712 9.2789 9.6153 9.6550 12.9591 13.0103 13.5392 13.5595 15.7634 15.8096 k = 0.5000-0.0999 0.5417 ( 7316 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0100 -13.0052 -13.0010 -12.9996 -11.9983 -11.9861 -11.9683 -11.9661 -11.9648 -11.9617 -0.1437 -0.1067 0.6917 0.7092 4.4310 4.5755 4.5801 4.6096 9.2836 9.3959 9.7290 9.7708 12.7859 12.8344 13.3664 13.3834 15.7894 15.8353 k = 0.5000-0.0888 0.5496 ( 7316 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0101 -13.0051 -13.0010 -12.9996 -11.9984 -11.9857 -11.9685 -11.9662 -11.9647 -11.9618 -0.1423 -0.1039 0.6936 0.7118 4.4088 4.5547 4.5623 4.5889 9.3969 9.5140 9.8434 9.8877 12.6181 12.6634 13.1984 13.2123 15.8174 15.8637 k = 0.5000-0.0777 0.5574 ( 7304 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0101 -13.0050 -13.0010 -12.9996 -11.9986 -11.9854 -11.9688 -11.9663 -11.9645 -11.9619 -0.1409 -0.1013 0.6953 0.7141 4.3887 4.5359 4.5461 4.5700 9.5097 9.6318 9.9571 10.0039 12.4572 12.4988 13.0371 13.0478 15.8468 15.8945 k = 0.5000-0.0666 0.5653 ( 7306 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0102 -13.0050 -13.0010 -12.9995 -11.9987 -11.9850 -11.9690 -11.9664 -11.9644 -11.9620 -0.1397 -0.0990 0.6969 0.7162 4.3709 4.5192 4.5318 4.5531 9.6200 9.7475 10.0680 10.1177 12.3052 12.3424 12.8846 12.8921 15.8773 15.9276 k = 0.5000-0.0555 0.5731 ( 7302 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0103 -13.0050 -13.0010 -12.9995 -11.9987 -11.9847 -11.9692 -11.9664 -11.9642 -11.9621 -0.1386 -0.0970 0.6983 0.7180 4.3556 4.5048 4.5196 4.5385 9.7254 9.8588 10.1737 10.2263 12.1646 12.1968 12.7436 12.7477 15.9081 15.9626 k = 0.5000-0.0444 0.5810 ( 7310 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0103 -13.0049 -13.0010 -12.9995 -11.9988 -11.9844 -11.9694 -11.9665 -11.9641 -11.9623 -0.1377 -0.0953 0.6995 0.7195 4.3429 4.4928 4.5094 4.5263 9.8226 9.9621 10.2706 10.3265 12.0386 12.0652 12.6176 12.6183 15.9384 15.9994 k = 0.5000-0.0333 0.5888 ( 7302 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0010 -12.9995 -11.9989 -11.9842 -11.9696 -11.9665 -11.9640 -11.9624 -0.1370 -0.0940 0.7004 0.7207 4.3330 4.4834 4.5015 4.5166 9.9071 10.0529 10.3545 10.4137 11.9317 11.9523 12.5084 12.5110 15.9669 16.0378 k = 0.5000-0.0222 0.5967 ( 7292 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0010 -12.9995 -11.9989 -11.9841 -11.9697 -11.9665 -11.9639 -11.9625 -0.1365 -0.0930 0.7010 0.7216 4.3258 4.4766 4.4958 4.5096 9.9738 10.1253 10.4202 10.4825 11.8491 11.8641 12.4234 12.4289 15.9913 16.0776 k = 0.5000-0.0111 0.6045 ( 7292 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0010 -12.9995 -11.9989 -11.9840 -11.9698 -11.9665 -11.9638 -11.9625 -0.1361 -0.0924 0.7015 0.7222 4.3214 4.4726 4.4924 4.5053 10.0169 10.1727 10.4625 10.5270 11.7964 11.8073 12.3692 12.3768 16.0084 16.1186 k = 0.5000-0.0000 0.6124 ( 7312 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0010 -12.9995 -11.9989 -11.9839 -11.9698 -11.9666 -11.9638 -11.9626 -0.1360 -0.0922 0.7016 0.7223 4.3200 4.4712 4.4913 4.5039 10.0319 10.1892 10.4772 10.5424 11.7783 11.7875 12.3505 12.3589 16.0147 16.1537 k = 0.5000-0.0000 0.6124 ( 7312 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0010 -12.9995 -11.9989 -11.9839 -11.9698 -11.9666 -11.9638 -11.9626 -0.1360 -0.0922 0.7016 0.7223 4.3200 4.4712 4.4913 4.5039 10.0319 10.1892 10.4772 10.5424 11.7783 11.7875 12.3505 12.3589 16.0147 16.1537 k = 0.4931 0.0120 0.6124 ( 7288 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0010 -12.9995 -11.9989 -11.9839 -11.9698 -11.9666 -11.9638 -11.9625 -0.1392 -0.0957 0.7050 0.7254 4.3155 4.4509 4.5017 4.5255 10.0171 10.1687 10.4801 10.5399 11.7865 11.7983 12.3621 12.3736 15.9984 16.1183 k = 0.4861 0.0241 0.6124 ( 7288 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0010 -12.9994 -11.9989 -11.9840 -11.9698 -11.9666 -11.9638 -11.9625 -0.1478 -0.1053 0.7141 0.7336 4.3028 4.4218 4.5262 4.5642 9.9695 10.1050 10.4935 10.5380 11.8148 11.8301 12.3956 12.4108 15.9523 16.0553 k = 0.4792 0.0361 0.6124 ( 7292 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0103 -13.0049 -13.0011 -12.9994 -11.9989 -11.9841 -11.9698 -11.9666 -11.9638 -11.9625 -0.1607 -0.1195 0.7274 0.7458 4.2851 4.3933 4.5626 4.6094 9.8893 10.0057 10.5155 10.5422 11.8631 11.8816 12.4472 12.4647 15.8816 15.9732 k = 0.4722 0.0481 0.6124 ( 7300 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0103 -13.0049 -13.0012 -12.9994 -11.9988 -11.9843 -11.9697 -11.9666 -11.9639 -11.9624 -0.1765 -0.1368 0.7435 0.7605 4.2649 4.3661 4.6079 4.6599 9.7829 9.8830 10.5402 10.5530 11.9284 11.9499 12.5134 12.5319 15.7915 15.8751 k = 0.4653 0.0601 0.6124 ( 7306 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0103 -13.0050 -13.0012 -12.9993 -11.9988 -11.9845 -11.9697 -11.9667 -11.9639 -11.9623 -0.1943 -0.1562 0.7612 0.7768 4.2442 4.3404 4.6602 4.7149 9.6585 9.7461 10.5620 10.5705 12.0073 12.0320 12.5914 12.6104 15.6863 15.7639 k = 0.4583 0.0722 0.6124 ( 7309 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0102 -13.0051 -13.0013 -12.9993 -11.9987 -11.9847 -11.9696 -11.9667 -11.9639 -11.9622 -0.2131 -0.1766 0.7794 0.7936 4.2238 4.3165 4.7179 4.7738 9.5235 9.6017 10.5789 10.5921 12.0970 12.1251 12.6791 12.6983 15.5693 15.6426 k = 0.4514 0.0842 0.6124 ( 7309 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0101 -13.0052 -13.0014 -12.9992 -11.9986 -11.9849 -11.9695 -11.9668 -11.9639 -11.9621 -0.2321 -0.1971 0.7974 0.8104 4.2042 4.2942 4.7799 4.8358 9.3835 9.4544 10.5943 10.6125 12.1953 12.2268 12.7746 12.7942 15.4436 15.5134 k = 0.4444 0.0962 0.6124 ( 7308 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0100 -13.0052 -13.0015 -12.9992 -11.9985 -11.9851 -11.9694 -11.9669 -11.9639 -11.9621 -0.2508 -0.2172 0.8147 0.8266 4.1858 4.2738 4.8450 4.8999 9.2428 9.3078 10.6083 10.6304 12.3006 12.3355 12.8764 12.8969 15.3117 15.3787 k = 0.4375 0.1083 0.6124 ( 7314 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0100 -13.0054 -13.0016 -12.9991 -11.9984 -11.9854 -11.9693 -11.9670 -11.9639 -11.9620 -0.2687 -0.2363 0.8309 0.8418 4.1689 4.2552 4.9120 4.9651 9.1048 9.1647 10.6207 10.6457 12.4113 12.4496 12.9828 13.0051 15.1755 15.2404 k = 0.4306 0.1203 0.6124 ( 7312 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0098 -13.0055 -13.0017 -12.9990 -11.9983 -11.9857 -11.9692 -11.9671 -11.9639 -11.9619 -0.2854 -0.2542 0.8457 0.8557 4.1534 4.2385 4.9795 5.0301 8.9724 9.0273 10.6313 10.6586 12.5264 12.5678 13.0924 13.1174 15.0370 15.1004 k = 0.4236 0.1323 0.6124 ( 7314 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3705 -13.0097 -13.0056 -13.0017 -12.9990 -11.9982 -11.9859 -11.9691 -11.9672 -11.9639 -11.9619 -0.3006 -0.2704 0.8589 0.8682 4.1397 4.2237 5.0463 5.0934 8.8480 8.8981 10.6403 10.6693 12.6446 12.6890 13.2034 13.2323 14.8981 14.9605 k = 0.4167 0.1443 0.6124 ( 7310 PWs) bands (ev): -37.4982 -37.4982 -37.3705 -37.3705 -13.0096 -13.0057 -13.0018 -12.9990 -11.9981 -11.9861 -11.9690 -11.9673 -11.9639 -11.9618 -0.3142 -0.2849 0.8704 0.8792 4.1276 4.2108 5.1105 5.1535 8.7340 8.7790 10.6477 10.6780 12.7647 12.8117 13.3136 13.3479 14.7608 14.8229 k = 0.4097 0.1564 0.6124 ( 7299 PWs) bands (ev): -37.4983 -37.4982 -37.3705 -37.3705 -13.0095 -13.0059 -13.0018 -12.9989 -11.9980 -11.9864 -11.9689 -11.9674 -11.9638 -11.9617 -0.3259 -0.2973 0.8802 0.8885 4.1174 4.1999 5.1705 5.2084 8.6327 8.6724 10.6536 10.6850 12.8850 12.9341 13.4200 13.4617 14.6276 14.6905 k = 0.4028 0.1684 0.6124 ( 7309 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0094 -13.0060 -13.0019 -12.9989 -11.9979 -11.9866 -11.9688 -11.9674 -11.9638 -11.9617 -0.3357 -0.3077 0.8882 0.8961 4.1089 4.1909 5.2242 5.2563 8.5465 8.5803 10.6583 10.6904 13.0031 13.0534 13.5183 13.5696 14.5025 14.5673 k = 0.3958 0.1804 0.6124 ( 7311 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0093 -13.0061 -13.0019 -12.9989 -11.9979 -11.9867 -11.9688 -11.9675 -11.9638 -11.9617 -0.3434 -0.3158 0.8945 0.9020 4.1023 4.1839 5.2696 5.2953 8.4773 8.5051 10.6618 10.6945 13.1156 13.1647 13.6025 13.6650 14.3920 14.4590 k = 0.3889 0.1925 0.6124 ( 7305 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0093 -13.0062 -13.0019 -12.9989 -11.9978 -11.9868 -11.9687 -11.9676 -11.9638 -11.9617 -0.3489 -0.3217 0.8989 0.9063 4.0976 4.1789 5.3048 5.3235 8.4271 8.4488 10.6642 10.6973 13.2162 13.2594 13.6661 13.7366 14.3074 14.3724 k = 0.3819 0.2045 0.6124 ( 7306 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0062 -13.0020 -12.9988 -11.9978 -11.9869 -11.9687 -11.9676 -11.9638 -11.9616 -0.3522 -0.3252 0.9016 0.9088 4.0947 4.1759 5.3279 5.3399 8.3970 8.4136 10.6657 10.6989 13.2943 13.3224 13.7062 13.7723 14.2628 14.3127 k = 0.3750 0.2165 0.6124 ( 7310 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0063 -13.0020 -12.9988 -11.9978 -11.9869 -11.9686 -11.9677 -11.9638 -11.9616 -0.3534 -0.3264 0.9025 0.9097 4.0938 4.1749 5.3363 5.3449 8.3871 8.4015 10.6661 10.6995 13.3306 13.3391 13.7215 13.7783 14.2550 14.2874 k = 0.3750 0.2165 0.6124 ( 7310 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0063 -13.0020 -12.9988 -11.9978 -11.9869 -11.9686 -11.9677 -11.9638 -11.9616 -0.3534 -0.3264 0.9025 0.9097 4.0938 4.1749 5.3363 5.3449 8.3871 8.4015 10.6661 10.6995 13.3306 13.3391 13.7215 13.7783 14.2550 14.2874 k = 0.3681 0.2125 0.6010 ( 7310 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0063 -13.0021 -12.9988 -11.9978 -11.9867 -11.9691 -11.9677 -11.9636 -11.9617 -0.3934 -0.3672 0.9468 0.9526 4.0708 4.1526 5.3871 5.3955 8.3964 8.4101 10.8571 10.8912 13.1951 13.2034 13.6127 13.6691 14.1141 14.1455 k = 0.3611 0.2085 0.5897 ( 7314 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0091 -13.0064 -13.0022 -12.9987 -11.9978 -11.9866 -11.9695 -11.9678 -11.9634 -11.9618 -0.4373 -0.4121 0.9954 0.9996 4.0536 4.1359 5.4403 5.4486 8.4057 8.4188 11.0473 11.0820 13.0609 13.0690 13.5056 13.5614 13.9750 14.0055 k = 0.3542 0.2045 0.5784 ( 7322 PWs) bands (ev): -37.4984 -37.4984 -37.3705 -37.3705 -13.0091 -13.0065 -13.0024 -12.9987 -11.9978 -11.9864 -11.9699 -11.9679 -11.9633 -11.9619 -0.4850 -0.4608 1.0483 1.0509 4.0422 4.1250 5.4960 5.5042 8.4150 8.4277 11.2347 11.2700 12.9283 12.9361 13.4005 13.4553 13.8378 13.8677 k = 0.3472 0.2005 0.5670 ( 7320 PWs) bands (ev): -37.4984 -37.4984 -37.3704 -37.3704 -13.0090 -13.0066 -13.0026 -12.9986 -11.9978 -11.9863 -11.9703 -11.9680 -11.9631 -11.9620 -0.5361 -0.5131 1.1053 1.1062 4.0366 4.1198 5.5540 5.5622 8.4244 8.4367 11.4171 11.4530 12.7975 12.8048 13.2977 13.3512 13.7030 13.7323 k = 0.3403 0.1965 0.5557 ( 7312 PWs) bands (ev): -37.4984 -37.4984 -37.3704 -37.3704 -13.0090 -13.0067 -13.0027 -12.9986 -11.9978 -11.9863 -11.9707 -11.9681 -11.9630 -11.9621 -0.5903 -0.5686 1.1655 1.1663 4.0368 4.1203 5.6143 5.6226 8.4339 8.4459 11.5914 11.6282 12.6687 12.6753 13.1974 13.2493 13.5707 13.5996 k = 0.3333 0.1925 0.5443 ( 7320 PWs) bands (ev): -37.4985 -37.4985 -37.3704 -37.3704 -13.0089 -13.0069 -13.0029 -12.9986 -11.9978 -11.9863 -11.9710 -11.9682 -11.9629 -11.9621 -0.6474 -0.6270 1.2287 1.2313 4.0427 4.1265 5.6769 5.6852 8.4434 8.4551 11.7538 11.7920 12.5422 12.5477 13.1001 13.1497 13.4411 13.4696 k = 0.3264 0.1884 0.5330 ( 7308 PWs) bands (ev): -37.4985 -37.4985 -37.3703 -37.3703 -13.0088 -13.0070 -13.0031 -12.9987 -11.9978 -11.9863 -11.9714 -11.9683 -11.9628 -11.9622 -0.7071 -0.6880 1.2958 1.3002 4.0543 4.1384 5.7417 5.7500 8.4530 8.4645 11.8993 11.9404 12.4191 12.4222 13.0061 13.0528 13.3144 13.3427 k = 0.3194 0.1844 0.5217 ( 7316 PWs) bands (ev): -37.4986 -37.4986 -37.3703 -37.3703 -13.0087 -13.0071 -13.0032 -12.9987 -11.9978 -11.9864 -11.9717 -11.9685 -11.9627 -11.9623 -0.7691 -0.7512 1.3667 1.3728 4.0714 4.1558 5.8086 5.8169 8.4624 8.4738 12.0202 12.0685 12.2994 12.3022 12.9158 12.9586 13.1910 13.2189 k = 0.3125 0.1804 0.5103 ( 7322 PWs) bands (ev): -37.4986 -37.4986 -37.3702 -37.3702 -13.0086 -13.0072 -13.0034 -12.9988 -11.9978 -11.9865 -11.9720 -11.9686 -11.9626 -11.9624 -0.8330 -0.8163 1.4412 1.4491 4.0940 4.1786 5.8775 5.8859 8.4719 8.4832 12.0880 12.1557 12.1958 12.2156 12.8300 12.8673 13.0710 13.0986 k = 0.3056 0.1764 0.4990 ( 7304 PWs) bands (ev): -37.4987 -37.4987 -37.3702 -37.3702 -13.0085 -13.0073 -13.0036 -12.9989 -11.9978 -11.9866 -11.9722 -11.9687 -11.9625 -11.9624 -0.8985 -0.8830 1.5194 1.5289 4.1218 4.2066 5.9483 5.9568 8.4812 8.4925 12.0258 12.0544 12.2324 12.2563 12.7494 12.7792 12.9547 12.9818 k = 0.2986 0.1724 0.4876 ( 7306 PWs) bands (ev): -37.4987 -37.4987 -37.3701 -37.3701 -13.0084 -13.0075 -13.0038 -12.9990 -11.9977 -11.9868 -11.9725 -11.9689 -11.9625 -11.9625 -0.9653 -0.9510 1.6012 1.6124 4.1547 4.2398 6.0209 6.0296 8.4903 8.5017 11.9178 11.9379 12.2665 12.3063 12.6750 12.6946 12.8425 12.8688 k = 0.2917 0.1684 0.4763 ( 7302 PWs) bands (ev): -37.4988 -37.4988 -37.3700 -37.3700 -13.0083 -13.0076 -13.0040 -12.9992 -11.9977 -11.9870 -11.9727 -11.9690 -11.9626 -11.9625 -1.0332 -1.0200 1.6864 1.6993 4.1925 4.2780 6.0953 6.1042 8.4992 8.5107 11.8059 11.8231 12.2766 12.3299 12.6076 12.6136 12.7347 12.7599 k = 0.2847 0.1644 0.4649 ( 7310 PWs) bands (ev): -37.4989 -37.4989 -37.3700 -37.3700 -13.0082 -13.0077 -13.0042 -12.9994 -11.9977 -11.9873 -11.9728 -11.9691 -11.9626 -11.9625 -1.1020 -1.0898 1.7751 1.7896 4.2352 4.3209 6.1713 6.1803 8.5078 8.5195 11.6946 11.7104 12.2616 12.3291 12.5367 12.5467 12.6321 12.6552 k = 0.2778 0.1604 0.4536 ( 7298 PWs) bands (ev): -37.4990 -37.4990 -37.3699 -37.3699 -13.0081 -13.0078 -13.0043 -12.9995 -11.9977 -11.9876 -11.9730 -11.9693 -11.9627 -11.9625 -1.1712 -1.1600 1.8672 1.8833 4.2824 4.3686 6.2487 6.2579 8.5161 8.5280 11.5850 11.5999 12.2263 12.3067 12.4640 12.4899 12.5355 12.5554 k = 0.2708 0.1564 0.4423 ( 7316 PWs) bands (ev): -37.4990 -37.4990 -37.3698 -37.3698 -13.0080 -13.0079 -13.0045 -12.9998 -11.9977 -11.9880 -11.9731 -11.9694 -11.9628 -11.9626 -1.2407 -1.2305 1.9627 1.9803 4.3342 4.4207 6.3275 6.3369 8.5239 8.5361 11.4774 11.4918 12.1773 12.2661 12.3945 12.4325 12.4467 12.4625 k = 0.2639 0.1524 0.4309 ( 7320 PWs) bands (ev): -37.4991 -37.4991 -37.3698 -37.3698 -13.0081 -13.0079 -13.0047 -13.0000 -11.9977 -11.9884 -11.9732 -11.9695 -11.9629 -11.9627 -1.3103 -1.3011 2.0615 2.0806 4.3903 4.4773 6.4074 6.4171 8.5312 8.5438 11.3719 11.3859 12.1203 12.2114 12.3253 12.3596 12.3678 12.3892 k = 0.2569 0.1483 0.4196 ( 7310 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0082 -13.0078 -13.0049 -13.0002 -11.9977 -11.9887 -11.9733 -11.9697 -11.9630 -11.9628 -1.3798 -1.3714 2.1635 2.1842 4.4506 4.5380 6.4884 6.4984 8.5380 8.5510 11.2687 11.2825 12.0590 12.1476 12.2543 12.2754 12.2990 12.3306 k = 0.2500 0.1443 0.4082 ( 7306 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0083 -13.0078 -13.0051 -13.0005 -11.9977 -11.9892 -11.9733 -11.9698 -11.9631 -11.9629 -1.4490 -1.4413 2.2688 2.2910 4.5150 4.6029 6.5701 6.5804 8.5441 8.5576 11.1679 11.1814 11.9956 12.0792 12.1836 12.1934 12.2363 12.2735 k = 0.2431 0.1403 0.3969 ( 7308 PWs) bands (ev): -37.4994 -37.4994 -37.3695 -37.3695 -13.0084 -13.0077 -13.0053 -13.0008 -11.9978 -11.9896 -11.9733 -11.9699 -11.9632 -11.9630 -1.5176 -1.5107 2.3774 2.4009 4.5833 4.6717 6.6525 6.6631 8.5496 8.5636 11.0694 11.0827 11.9317 12.0096 12.1142 12.1149 12.1771 12.2170 k = 0.2361 0.1363 0.3856 ( 7321 PWs) bands (ev): -37.4995 -37.4995 -37.3694 -37.3694 -13.0085 -13.0076 -13.0055 -13.0011 -11.9978 -11.9901 -11.9733 -11.9700 -11.9633 -11.9632 -1.5856 -1.5793 2.4891 2.5140 4.6554 4.7444 6.7352 6.7462 8.5543 8.5688 10.9734 10.9865 11.8679 11.9412 12.0399 12.0453 12.1212 12.1619 k = 0.2292 0.1323 0.3742 ( 7305 PWs) bands (ev): -37.4996 -37.4996 -37.3693 -37.3693 -13.0086 -13.0075 -13.0057 -13.0014 -11.9979 -11.9905 -11.9733 -11.9701 -11.9634 -11.9634 -1.6527 -1.6471 2.6040 2.6302 4.7312 4.8208 6.8181 6.8295 8.5581 8.5733 10.8798 10.8927 11.8047 11.8756 11.9681 11.9761 12.0691 12.1092 k = 0.2222 0.1283 0.3629 ( 7321 PWs) bands (ev): -37.4998 -37.4998 -37.3692 -37.3692 -13.0087 -13.0075 -13.0059 -13.0018 -11.9979 -11.9910 -11.9732 -11.9702 -11.9636 -11.9636 -1.7188 -1.7138 2.7219 2.7495 4.8105 4.9008 6.9008 6.9126 8.5611 8.5770 10.7886 10.8013 11.7423 11.8137 11.8997 11.9062 12.0213 12.0598 k = 0.2153 0.1243 0.3515 ( 7315 PWs) bands (ev): -37.4999 -37.4999 -37.3691 -37.3691 -13.0088 -13.0075 -13.0061 -13.0021 -11.9980 -11.9915 -11.9732 -11.9703 -11.9639 -11.9637 -1.7839 -1.7794 2.8430 2.8719 4.8933 4.9843 6.9832 6.9954 8.5631 8.5797 10.7000 10.7125 11.6803 11.7559 11.8349 11.8359 11.9777 12.0143 k = 0.2083 0.1203 0.3402 ( 7313 PWs) bands (ev): -37.5000 -37.5000 -37.3690 -37.3690 -13.0089 -13.0074 -13.0062 -13.0024 -11.9981 -11.9920 -11.9731 -11.9704 -11.9641 -11.9639 -1.8477 -1.8437 2.9671 2.9972 4.9794 5.0712 7.0648 7.0775 8.5642 8.5816 10.6138 10.6262 11.6179 11.7016 11.7664 11.7750 11.9382 11.9729 k = 0.2014 0.1163 0.3289 ( 7333 PWs) bands (ev): -37.5001 -37.5001 -37.3689 -37.3689 -13.0090 -13.0074 -13.0064 -13.0028 -11.9981 -11.9925 -11.9730 -11.9705 -11.9644 -11.9641 -1.9102 -1.9066 3.0943 3.1255 5.0687 5.1613 7.1454 7.1587 8.5643 8.5825 10.5302 10.5424 11.5541 11.6478 11.7016 11.7212 11.9025 11.9357 k = 0.1944 0.1123 0.3175 ( 7325 PWs) bands (ev): -37.5003 -37.5003 -37.3688 -37.3688 -13.0091 -13.0074 -13.0066 -13.0032 -11.9982 -11.9930 -11.9729 -11.9705 -11.9647 -11.9642 -1.9713 -1.9681 3.2244 3.2568 5.1611 5.2546 7.2246 7.2385 8.5634 8.5825 10.4491 10.4611 11.4880 11.5876 11.6488 11.6751 11.8702 11.9024 k = 0.1875 0.1083 0.3062 ( 7329 PWs) bands (ev): -37.5004 -37.5004 -37.3687 -37.3687 -13.0091 -13.0074 -13.0067 -13.0035 -11.9983 -11.9935 -11.9728 -11.9706 -11.9650 -11.9644 -2.0308 -2.0280 3.3575 3.3910 5.2565 5.3509 7.3021 7.3166 8.5616 8.5815 10.3706 10.3824 11.4193 11.5191 11.6107 11.6375 11.8407 11.8727 k = 0.1806 0.1042 0.2948 ( 7321 PWs) bands (ev): -37.5005 -37.5005 -37.3686 -37.3686 -13.0092 -13.0075 -13.0069 -13.0039 -11.9984 -11.9940 -11.9727 -11.9706 -11.9653 -11.9647 -2.0887 -2.0862 3.4935 3.5280 5.3548 5.4501 7.3775 7.3926 8.5587 8.5795 10.2947 10.3063 11.3481 11.4463 11.5836 11.6087 11.8135 11.8459 k = 0.1736 0.1002 0.2835 ( 7327 PWs) bands (ev): -37.5006 -37.5006 -37.3685 -37.3684 -13.0093 -13.0075 -13.0070 -13.0043 -11.9986 -11.9945 -11.9726 -11.9706 -11.9656 -11.9649 -2.1449 -2.1428 3.6324 3.6678 5.4559 5.5522 7.4504 7.4663 8.5549 8.5766 10.2213 10.2328 11.2748 11.3716 11.5655 11.5887 11.7878 11.8214 k = 0.1667 0.0962 0.2722 ( 7327 PWs) bands (ev): -37.5008 -37.5008 -37.3683 -37.3683 -13.0093 -13.0076 -13.0072 -13.0047 -11.9987 -11.9950 -11.9725 -11.9707 -11.9659 -11.9651 -2.1993 -2.1975 3.7741 3.8104 5.5597 5.6570 7.5205 7.5373 8.5502 8.5728 10.1507 10.1619 11.1999 11.2959 11.5560 11.5775 11.7628 11.7983 k = 0.1597 0.0922 0.2608 ( 7343 PWs) bands (ev): -37.5009 -37.5009 -37.3682 -37.3682 -13.0094 -13.0077 -13.0073 -13.0050 -11.9988 -11.9955 -11.9724 -11.9707 -11.9662 -11.9654 -2.2519 -2.2503 3.9186 3.9557 5.6660 5.7644 7.5875 7.6051 8.5446 8.5681 10.0826 10.0937 11.1236 11.2194 11.5549 11.5751 11.7372 11.7753 k = 0.1528 0.0882 0.2495 ( 7343 PWs) bands (ev): -37.5010 -37.5010 -37.3681 -37.3681 -13.0095 -13.0078 -13.0074 -13.0054 -11.9989 -11.9960 -11.9722 -11.9707 -11.9665 -11.9656 -2.3027 -2.3013 4.0658 4.1037 5.7748 5.8743 7.6510 7.6696 8.5382 8.5626 10.0172 10.0281 11.0462 11.1423 11.5622 11.5816 11.7097 11.7511 k = 0.1458 0.0842 0.2381 ( 7339 PWs) bands (ev): -37.5012 -37.5012 -37.3680 -37.3680 -13.0095 -13.0079 -13.0075 -13.0057 -11.9991 -11.9965 -11.9721 -11.9707 -11.9668 -11.9659 -2.3514 -2.3503 4.2157 4.2542 5.8859 5.9866 7.7108 7.7304 8.5311 8.5564 9.9545 9.9652 10.9677 11.0645 11.5776 11.5970 11.6787 11.7238 k = 0.1389 0.0802 0.2268 ( 7339 PWs) bands (ev): -37.5013 -37.5013 -37.3679 -37.3679 -13.0096 -13.0080 -13.0076 -13.0061 -11.9992 -11.9969 -11.9720 -11.9707 -11.9671 -11.9661 -2.3982 -2.3972 4.3682 4.4073 5.9991 6.1010 7.7666 7.7874 8.5232 8.5495 9.8945 9.9050 10.8883 10.9861 11.5985 11.6212 11.6445 11.6911 k = 0.1319 0.0762 0.2155 ( 7333 PWs) bands (ev): -37.5014 -37.5014 -37.3678 -37.3678 -13.0096 -13.0081 -13.0077 -13.0064 -11.9994 -11.9974 -11.9718 -11.9707 -11.9674 -11.9664 -2.4430 -2.4421 4.5232 4.5627 6.1144 6.2176 7.8182 7.8403 8.5148 8.5420 9.8372 9.8476 10.8079 10.9068 11.5853 11.6442 11.6502 11.6544 k = 0.1250 0.0722 0.2041 ( 7337 PWs) bands (ev): -37.5015 -37.5015 -37.3677 -37.3677 -13.0096 -13.0082 -13.0078 -13.0067 -11.9995 -11.9978 -11.9717 -11.9707 -11.9677 -11.9667 -2.4856 -2.4849 4.6807 4.7205 6.2316 6.3360 7.8656 7.8891 8.5059 8.5340 9.7826 9.7928 10.7264 10.8267 11.5289 11.5981 11.6835 11.6961 k = 0.1181 0.0682 0.1928 ( 7329 PWs) bands (ev): -37.5016 -37.5016 -37.3676 -37.3676 -13.0097 -13.0083 -13.0080 -13.0071 -11.9997 -11.9982 -11.9716 -11.9706 -11.9680 -11.9669 -2.5261 -2.5255 4.8405 4.8805 6.3504 6.4562 7.9086 7.9338 8.4964 8.5254 9.7307 9.7408 10.6439 10.7454 11.4551 11.5313 11.7337 11.7465 k = 0.1111 0.0642 0.1814 ( 7329 PWs) bands (ev): -37.5017 -37.5017 -37.3675 -37.3675 -13.0097 -13.0084 -13.0081 -13.0073 -11.9998 -11.9986 -11.9714 -11.9706 -11.9683 -11.9672 -2.5645 -2.5640 5.0025 5.0425 6.4708 6.5779 7.9473 7.9743 8.4866 8.5165 9.6815 9.6915 10.5602 10.6629 11.3635 11.4472 11.7926 11.8052 k = 0.1042 0.0601 0.1701 ( 7347 PWs) bands (ev): -37.5019 -37.5019 -37.3674 -37.3674 -13.0097 -13.0086 -13.0082 -13.0076 -12.0000 -11.9989 -11.9713 -11.9706 -11.9686 -11.9675 -2.6007 -2.6003 5.1665 5.2065 6.5924 6.7009 7.9818 8.0108 8.4765 8.5072 9.6350 9.6449 10.4753 10.5790 11.2535 11.3442 11.8595 11.8717 k = 0.0972 0.0561 0.1588 ( 7347 PWs) bands (ev): -37.5020 -37.5020 -37.3673 -37.3673 -13.0097 -13.0087 -13.0083 -13.0079 -12.0002 -11.9993 -11.9712 -11.9705 -11.9688 -11.9678 -2.6347 -2.6344 5.3325 5.3721 6.7151 6.8249 8.0121 8.0435 8.4661 8.4976 9.5912 9.6011 10.3892 10.4936 11.1259 11.2224 11.9339 11.9457 k = 0.0903 0.0521 0.1474 ( 7355 PWs) bands (ev): -37.5021 -37.5021 -37.3672 -37.3672 -13.0098 -13.0088 -13.0084 -13.0082 -12.0003 -11.9996 -11.9711 -11.9705 -11.9690 -11.9680 -2.6664 -2.6661 5.5001 5.5391 6.8385 6.9496 8.0384 8.0725 8.4555 8.4876 9.5499 9.5599 10.3017 10.4065 10.9827 11.0839 12.0152 12.0265 k = 0.0833 0.0481 0.1361 ( 7345 PWs) bands (ev): -37.5022 -37.5022 -37.3671 -37.3671 -13.0098 -13.0089 -13.0086 -13.0084 -12.0005 -11.9999 -11.9710 -11.9705 -11.9692 -11.9683 -2.6959 -2.6957 5.6691 5.7073 6.9622 7.0747 8.0610 8.0982 8.4446 8.4773 9.5113 9.5213 10.2130 10.3178 10.8273 10.9316 12.1026 12.1133 k = 0.0764 0.0441 0.1247 ( 7341 PWs) bands (ev): -37.5022 -37.5022 -37.3671 -37.3671 -13.0098 -13.0089 -13.0087 -13.0086 -12.0006 -12.0002 -11.9709 -11.9704 -11.9694 -11.9685 -2.7230 -2.7229 5.8392 5.8763 7.0858 7.1996 8.0799 8.1208 8.4335 8.4666 9.4750 9.4853 10.1233 10.2273 10.6630 10.7692 12.1953 12.2054 k = 0.0694 0.0401 0.1134 ( 7345 PWs) bands (ev): -37.5023 -37.5023 -37.3670 -37.3670 -13.0098 -13.0090 -13.0088 -13.0088 -12.0008 -12.0004 -11.9708 -11.9704 -11.9696 -11.9687 -2.7479 -2.7478 6.0100 6.0455 7.2088 7.3236 8.0955 8.1406 8.4222 8.4554 9.4411 9.4516 10.0328 10.1353 10.4935 10.6004 12.2922 12.3018 k = 0.0625 0.0361 0.1021 ( 7333 PWs) bands (ev): -37.5024 -37.5024 -37.3669 -37.3669 -13.0098 -13.0091 -13.0090 -13.0089 -12.0009 -12.0007 -11.9707 -11.9703 -11.9698 -11.9690 -2.7705 -2.7704 6.1808 6.2143 7.3303 7.4460 8.1081 8.1580 8.4106 8.4435 9.4090 9.4199 9.9420 10.0419 10.3223 10.4288 12.3921 12.4010 k = 0.0556 0.0321 0.0907 ( 7337 PWs) bands (ev): -37.5025 -37.5025 -37.3668 -37.3668 -13.0098 -13.0092 -13.0091 -13.0090 -12.0011 -12.0009 -11.9706 -11.9703 -11.9699 -11.9692 -2.7907 -2.7906 6.3510 6.3819 7.4495 7.5653 8.1181 8.1734 8.3986 8.4306 9.3784 9.3898 9.8519 9.9475 10.1532 10.2578 12.4936 12.5018 k = 0.0486 0.0281 0.0794 ( 7339 PWs) bands (ev): -37.5025 -37.5025 -37.3668 -37.3668 -13.0098 -13.0093 -13.0092 -13.0091 -12.0012 -12.0011 -11.9705 -11.9703 -11.9700 -11.9694 -2.8085 -2.8085 6.5195 6.5472 7.5646 7.6796 8.1263 8.1872 8.3863 8.4164 9.3485 9.3605 9.7636 9.8526 9.9906 10.0909 12.5948 12.6021 k = 0.0417 0.0241 0.0680 ( 7347 PWs) bands (ev): -37.5026 -37.5026 -37.3668 -37.3668 -13.0098 -13.0094 -13.0093 -13.0092 -12.0013 -12.0012 -11.9704 -11.9703 -11.9701 -11.9695 -2.8240 -2.8240 6.6847 6.7086 7.6736 7.7850 8.1345 8.2003 8.3736 8.4006 9.3178 9.3303 9.6790 9.7572 9.8407 9.9321 12.6933 12.6997 k = 0.0347 0.0200 0.0567 ( 7351 PWs) bands (ev): -37.5026 -37.5026 -37.3667 -37.3667 -13.0098 -13.0094 -13.0094 -13.0093 -12.0014 -12.0013 -11.9704 -11.9702 -11.9702 -11.9697 -2.8372 -2.8372 6.8445 6.8638 7.7727 7.8746 8.1476 8.2138 8.3607 8.3829 9.2842 9.2966 9.6012 9.6604 9.7128 9.7861 12.7864 12.7917 k = 0.0278 0.0160 0.0454 ( 7367 PWs) bands (ev): -37.5027 -37.5027 -37.3667 -37.3667 -13.0097 -13.0095 -13.0095 -13.0094 -12.0015 -12.0014 -11.9703 -11.9702 -11.9702 -11.9698 -2.8479 -2.8479 6.9956 7.0096 7.8560 7.9365 8.1739 8.2300 8.3479 8.3640 9.2451 9.2555 9.5342 9.5673 9.6130 9.6585 12.8703 12.8742 k = 0.0208 0.0120 0.0340 ( 7383 PWs) bands (ev): -37.5027 -37.5027 -37.3667 -37.3667 -13.0097 -13.0096 -13.0095 -13.0095 -12.0015 -12.0015 -11.9703 -11.9703 -11.9702 -11.9700 -2.8563 -2.8563 7.1326 7.1411 7.9155 7.9627 8.2178 8.2518 8.3361 8.3453 9.1992 9.2054 9.4821 9.4950 9.5344 9.5551 12.9398 12.9419 k = 0.0139 0.0080 0.0227 ( 7391 PWs) bands (ev): -37.5027 -37.5027 -37.3667 -37.3667 -13.0097 -13.0096 -13.0096 -13.0095 -12.0016 -12.0016 -11.9703 -11.9703 -11.9702 -11.9701 -2.8623 -2.8623 7.2470 7.2505 7.9455 7.9627 8.2669 8.2795 8.3262 8.3298 9.1516 9.1537 9.4468 9.4503 9.4740 9.4801 12.9868 12.9871 k = 0.0069 0.0040 0.0113 ( 7391 PWs) bands (ev): -37.5028 -37.5028 -37.3667 -37.3667 -13.0097 -13.0096 -13.0096 -13.0096 -12.0016 -12.0016 -11.9703 -11.9702 -11.9702 -11.9702 -2.8659 -2.8659 7.3258 7.3264 7.9512 7.9536 8.3036 8.3056 8.3193 8.3200 9.1141 9.1143 9.4270 9.4276 9.4346 9.4353 13.0066 13.0067 k = 0.0000 0.0000 0.0000 ( 7391 PWs) bands (ev): -37.5028 -37.5028 -37.3667 -37.3667 -13.0096 -13.0096 -13.0096 -13.0096 -12.0016 -12.0016 -11.9702 -11.9702 -11.9702 -11.9702 -2.8671 -2.8671 7.3544 7.3544 7.9492 7.9492 8.3168 8.3168 8.3168 8.3168 9.0997 9.0997 9.4207 9.4207 9.4207 9.4207 13.0108 13.0108 k = 0.0000 0.0000 0.0000 ( 7391 PWs) bands (ev): -37.5028 -37.5028 -37.3667 -37.3667 -13.0096 -13.0096 -13.0096 -13.0096 -12.0016 -12.0016 -11.9702 -11.9702 -11.9702 -11.9702 -2.8671 -2.8671 7.3544 7.3544 7.9492 7.9492 8.3168 8.3168 8.3168 8.3168 9.0997 9.0997 9.4207 9.4207 9.4207 9.4207 13.0108 13.0108 k = 0.0114 0.0066 0.0046 ( 7391 PWs) bands (ev): -37.5028 -37.5028 -37.3667 -37.3667 -13.0097 -13.0096 -13.0096 -13.0096 -12.0016 -12.0016 -11.9703 -11.9702 -11.9702 -11.9702 -2.8659 -2.8659 7.3259 7.3259 7.9526 7.9526 8.3106 8.3111 8.3131 8.3131 9.1144 9.1144 9.4276 9.4279 9.4346 9.4346 13.0069 13.0069 k = 0.0227 0.0131 0.0093 ( 7391 PWs) bands (ev): -37.5027 -37.5027 -37.3667 -37.3667 -13.0097 -13.0096 -13.0096 -13.0095 -12.0016 -12.0016 -11.9703 -11.9702 -11.9702 -11.9701 -2.8623 -2.8623 7.2472 7.2472 7.9580 7.9580 8.2931 8.2941 8.3036 8.3036 9.1542 9.1542 9.4480 9.4487 9.4773 9.4773 12.9927 12.9927 k = 0.0341 0.0197 0.0139 ( 7379 PWs) bands (ev): -37.5027 -37.5027 -37.3667 -37.3667 -13.0097 -13.0096 -13.0096 -13.0095 -12.0015 -12.0015 -11.9703 -11.9703 -11.9703 -11.9700 -2.8563 -2.8563 7.1318 7.1318 7.9560 7.9560 8.2656 8.2671 8.2918 8.2918 9.2096 9.2096 9.4806 9.4816 9.5505 9.5505 12.9650 12.9650 k = 0.0455 0.0262 0.0186 ( 7369 PWs) bands (ev): -37.5027 -37.5027 -37.3667 -37.3667 -13.0098 -13.0095 -13.0095 -13.0094 -12.0015 -12.0015 -11.9703 -11.9703 -11.9702 -11.9698 -2.8479 -2.8479 6.9916 6.9916 7.9418 7.9418 8.2297 8.2316 8.2802 8.2802 9.2714 9.2714 9.5233 9.5248 9.6535 9.6535 12.9251 12.9252 k = 0.0568 0.0328 0.0232 ( 7357 PWs) bands (ev): -37.5026 -37.5026 -37.3667 -37.3667 -13.0098 -13.0094 -13.0094 -13.0094 -12.0014 -12.0014 -11.9703 -11.9703 -11.9702 -11.9697 -2.8371 -2.8371 6.8350 6.8350 7.9150 7.9150 8.1874 8.1897 8.2694 8.2694 9.3352 9.3352 9.5742 9.5762 9.7821 9.7821 12.8763 12.8763 k = 0.0682 0.0394 0.0278 ( 7339 PWs) bands (ev): -37.5026 -37.5026 -37.3667 -37.3667 -13.0098 -13.0093 -13.0093 -13.0093 -12.0012 -12.0012 -11.9704 -11.9704 -11.9701 -11.9695 -2.8239 -2.8239 6.6674 6.6674 7.8783 7.8783 8.1403 8.1430 8.2585 8.2585 9.3998 9.3998 9.6311 9.6336 9.9300 9.9300 12.8216 12.8216 k = 0.0795 0.0459 0.0325 ( 7330 PWs) bands (ev): -37.5025 -37.5025 -37.3668 -37.3668 -13.0098 -13.0092 -13.0092 -13.0092 -12.0011 -12.0011 -11.9704 -11.9704 -11.9700 -11.9693 -2.8083 -2.8083 6.4926 6.4926 7.8346 7.8346 8.0899 8.0929 8.2464 8.2464 9.4651 9.4651 9.6922 9.6953 10.0913 10.0913 12.7636 12.7636 k = 0.0909 0.0525 0.0371 ( 7330 PWs) bands (ev): -37.5025 -37.5025 -37.3668 -37.3668 -13.0098 -13.0091 -13.0091 -13.0091 -12.0010 -12.0010 -11.9705 -11.9705 -11.9698 -11.9691 -2.7904 -2.7904 6.3129 6.3129 7.7863 7.7863 8.0373 8.0406 8.2325 8.2325 9.5308 9.5308 9.7558 9.7595 10.2616 10.2616 12.7048 12.7048 k = 0.1023 0.0590 0.0418 ( 7330 PWs) bands (ev): -37.5024 -37.5024 -37.3669 -37.3669 -13.0098 -13.0091 -13.0090 -13.0090 -12.0008 -12.0008 -11.9706 -11.9706 -11.9697 -11.9688 -2.7701 -2.7701 6.1301 6.1301 7.7353 7.7353 7.9834 7.9869 8.2166 8.2166 9.5962 9.5962 9.8202 9.8245 10.4377 10.4377 12.6473 12.6473 k = 0.1136 0.0656 0.0464 ( 7327 PWs) bands (ev): -37.5023 -37.5023 -37.3670 -37.3670 -13.0098 -13.0090 -13.0088 -13.0088 -12.0006 -12.0006 -11.9707 -11.9707 -11.9695 -11.9686 -2.7476 -2.7476 5.9456 5.9456 7.6827 7.6827 7.9289 7.9326 8.1986 8.1986 9.6606 9.6606 9.8839 9.8889 10.6173 10.6173 12.5931 12.5932 k = 0.1250 0.0722 0.0510 ( 7339 PWs) bands (ev): -37.5022 -37.5022 -37.3671 -37.3671 -13.0098 -13.0089 -13.0087 -13.0087 -12.0004 -12.0004 -11.9708 -11.9708 -11.9693 -11.9683 -2.7227 -2.7227 5.7603 5.7603 7.6294 7.6294 7.8744 7.8783 8.1788 8.1788 9.7229 9.7229 9.9454 9.9511 10.7987 10.7987 12.5441 12.5441 k = 0.1364 0.0787 0.0557 ( 7351 PWs) bands (ev): -37.5022 -37.5022 -37.3671 -37.3671 -13.0098 -13.0089 -13.0085 -13.0085 -12.0002 -12.0002 -11.9709 -11.9709 -11.9691 -11.9680 -2.6955 -2.6955 5.5748 5.5748 7.5760 7.5760 7.8203 7.8244 8.1572 8.1572 9.7819 9.7819 10.0032 10.0096 10.9808 10.9808 12.5019 12.5019 k = 0.1477 0.0853 0.0603 ( 7351 PWs) bands (ev): -37.5021 -37.5021 -37.3672 -37.3672 -13.0097 -13.0088 -13.0083 -13.0083 -12.0000 -12.0000 -11.9710 -11.9710 -11.9689 -11.9677 -2.6661 -2.6661 5.3899 5.3899 7.5231 7.5231 7.7670 7.7712 8.1343 8.1343 9.8365 9.8365 10.0559 10.0629 11.1627 11.1627 12.4683 12.4683 k = 0.1591 0.0919 0.0649 ( 7345 PWs) bands (ev): -37.5020 -37.5020 -37.3673 -37.3673 -13.0097 -13.0087 -13.0081 -13.0081 -11.9997 -11.9997 -11.9711 -11.9711 -11.9687 -11.9674 -2.6344 -2.6344 5.2059 5.2059 7.4710 7.4710 7.7146 7.7189 8.1102 8.1102 9.8854 9.8854 10.1020 10.1095 11.3436 11.3436 12.4447 12.4447 k = 0.1705 0.0984 0.0696 ( 7345 PWs) bands (ev): -37.5019 -37.5019 -37.3674 -37.3674 -13.0097 -13.0086 -13.0079 -13.0079 -11.9995 -11.9995 -11.9712 -11.9712 -11.9684 -11.9671 -2.6005 -2.6005 5.0232 5.0232 7.4198 7.4198 7.6634 7.6679 8.0853 8.0853 9.9276 9.9276 10.1403 10.1482 11.5230 11.5230 12.4326 12.4326 k = 0.1818 0.1050 0.0742 ( 7330 PWs) bands (ev): -37.5017 -37.5017 -37.3675 -37.3675 -13.0096 -13.0086 -13.0077 -13.0077 -11.9992 -11.9992 -11.9714 -11.9714 -11.9681 -11.9668 -2.5646 -2.5646 4.8421 4.8421 7.3699 7.3699 7.6137 7.6182 8.0596 8.0596 9.9623 9.9623 10.1699 10.1780 11.7006 11.7006 12.4332 12.4332 k = 0.1932 0.1115 0.0789 ( 7348 PWs) bands (ev): -37.5016 -37.5016 -37.3676 -37.3676 -13.0096 -13.0085 -13.0075 -13.0075 -11.9989 -11.9989 -11.9715 -11.9715 -11.9678 -11.9665 -2.5265 -2.5265 4.6630 4.6630 7.3213 7.3213 7.5654 7.5699 8.0336 8.0336 9.9886 9.9886 10.1901 10.1983 11.8760 11.8760 12.4473 12.4473 k = 0.2045 0.1181 0.0835 ( 7348 PWs) bands (ev): -37.5015 -37.5015 -37.3677 -37.3677 -13.0096 -13.0084 -13.0073 -13.0073 -11.9987 -11.9987 -11.9716 -11.9716 -11.9675 -11.9661 -2.4863 -2.4863 4.4860 4.4860 7.2743 7.2743 7.5187 7.5233 8.0073 8.0073 10.0063 10.0063 10.2007 10.2087 12.0489 12.0489 12.4757 12.4757 k = 0.2159 0.1247 0.0881 ( 7339 PWs) bands (ev): -37.5014 -37.5014 -37.3678 -37.3678 -13.0095 -13.0084 -13.0071 -13.0071 -11.9984 -11.9984 -11.9718 -11.9718 -11.9672 -11.9658 -2.4442 -2.4442 4.3115 4.3115 7.2288 7.2288 7.4736 7.4783 7.9809 7.9809 10.0155 10.0155 10.2020 10.2097 12.2188 12.2188 12.5187 12.5187 k = 0.2273 0.1312 0.0928 ( 7309 PWs) bands (ev): -37.5013 -37.5013 -37.3679 -37.3679 -13.0094 -13.0083 -13.0068 -13.0068 -11.9981 -11.9981 -11.9719 -11.9719 -11.9669 -11.9654 -2.4002 -2.4002 4.1395 4.1395 7.1850 7.1850 7.4303 7.4350 7.9546 7.9546 10.0165 10.0165 10.1945 10.2018 12.3843 12.3843 12.5773 12.5773 k = 0.2386 0.1378 0.0974 ( 7315 PWs) bands (ev): -37.5012 -37.5012 -37.3680 -37.3680 -13.0094 -13.0082 -13.0066 -13.0066 -11.9978 -11.9978 -11.9720 -11.9720 -11.9666 -11.9651 -2.3543 -2.3543 3.9703 3.9703 7.1428 7.1428 7.3888 7.3935 7.9286 7.9286 10.0099 10.0099 10.1794 10.1861 12.5413 12.5413 12.6544 12.6545 k = 0.2500 0.1443 0.1021 ( 7315 PWs) bands (ev): -37.5010 -37.5010 -37.3681 -37.3681 -13.0093 -13.0081 -13.0064 -13.0064 -11.9975 -11.9975 -11.9722 -11.9722 -11.9662 -11.9648 -2.3067 -2.3067 3.8041 3.8041 7.1025 7.1025 7.3491 7.3538 7.9030 7.9030 9.9967 9.9967 10.1576 10.1637 12.6769 12.6769 12.7620 12.7620 k = 0.2614 0.1509 0.1067 ( 7303 PWs) bands (ev): -37.5009 -37.5009 -37.3682 -37.3682 -13.0092 -13.0081 -13.0061 -13.0061 -11.9972 -11.9972 -11.9723 -11.9723 -11.9659 -11.9644 -2.2574 -2.2574 3.6411 3.6411 7.0639 7.0639 7.3113 7.3159 7.8779 7.8779 9.9778 9.9778 10.1304 10.1359 12.7880 12.7880 12.8719 12.8913 k = 0.2727 0.1575 0.1113 ( 7321 PWs) bands (ev): -37.5008 -37.5008 -37.3683 -37.3683 -13.0092 -13.0080 -13.0059 -13.0059 -11.9969 -11.9969 -11.9724 -11.9724 -11.9655 -11.9641 -2.2066 -2.2066 3.4815 3.4815 7.0271 7.0271 7.2753 7.2798 7.8534 7.8534 9.9543 9.9543 10.0990 10.1039 12.8960 12.8960 12.9819 13.0005 k = 0.2841 0.1640 0.1160 ( 7324 PWs) bands (ev): -37.5007 -37.5007 -37.3684 -37.3684 -13.0091 -13.0080 -13.0057 -13.0057 -11.9966 -11.9966 -11.9725 -11.9725 -11.9652 -11.9638 -2.1545 -2.1545 3.3255 3.3255 6.9922 6.9922 7.2412 7.2456 7.8296 7.8296 9.9272 9.9272 10.0644 10.0687 13.0096 13.0096 13.1010 13.1188 k = 0.2955 0.1706 0.1206 ( 7324 PWs) bands (ev): -37.5006 -37.5006 -37.3685 -37.3685 -13.0091 -13.0079 -13.0055 -13.0055 -11.9963 -11.9963 -11.9727 -11.9727 -11.9649 -11.9635 -2.1011 -2.1011 3.1733 3.1733 6.9591 6.9591 7.2090 7.2133 7.8067 7.8067 9.8974 9.8974 10.0277 10.0314 13.1299 13.1299 13.2281 13.2452 k = 0.3068 0.1771 0.1253 ( 7327 PWs) bands (ev): -37.5005 -37.5005 -37.3686 -37.3686 -13.0090 -13.0079 -13.0052 -13.0052 -11.9961 -11.9961 -11.9728 -11.9728 -11.9645 -11.9632 -2.0467 -2.0467 3.0252 3.0252 6.9279 6.9279 7.1786 7.1828 7.7846 7.7846 9.8657 9.8657 9.9896 9.9928 13.2559 13.2559 13.3625 13.3789 k = 0.3182 0.1837 0.1299 ( 7318 PWs) bands (ev): -37.5003 -37.5003 -37.3687 -37.3687 -13.0089 -13.0078 -13.0050 -13.0050 -11.9958 -11.9958 -11.9729 -11.9729 -11.9642 -11.9629 -1.9914 -1.9914 2.8814 2.8814 6.8985 6.8985 7.1501 7.1541 7.7634 7.7634 9.8329 9.8329 9.9509 9.9536 13.3827 13.3827 13.4689 13.4689 k = 0.3295 0.1903 0.1345 ( 7309 PWs) bands (ev): -37.5002 -37.5002 -37.3688 -37.3688 -13.0088 -13.0078 -13.0048 -13.0048 -11.9955 -11.9955 -11.9730 -11.9730 -11.9639 -11.9626 -1.9356 -1.9356 2.7422 2.7422 6.8710 6.8710 7.1235 7.1273 7.7433 7.7433 9.7998 9.7998 9.9124 9.9147 13.4767 13.4767 13.5573 13.5573 k = 0.3409 0.1968 0.1392 ( 7318 PWs) bands (ev): -37.5001 -37.5001 -37.3689 -37.3689 -13.0088 -13.0078 -13.0046 -13.0046 -11.9953 -11.9953 -11.9731 -11.9731 -11.9635 -11.9623 -1.8795 -1.8795 2.6079 2.6079 6.8453 6.8453 7.0987 7.1024 7.7243 7.7243 9.7668 9.7668 9.8745 9.8764 13.5177 13.5177 13.6924 13.6924 k = 0.3523 0.2034 0.1438 ( 7330 PWs) bands (ev): -37.5000 -37.5000 -37.3690 -37.3690 -13.0087 -13.0078 -13.0044 -13.0044 -11.9951 -11.9951 -11.9733 -11.9733 -11.9632 -11.9621 -1.8234 -1.8234 2.4789 2.4789 6.8214 6.8214 7.0757 7.0792 7.7064 7.7064 9.7344 9.7344 9.8376 9.8392 13.5438 13.5438 13.8408 13.8408 k = 0.3636 0.2099 0.1485 ( 7327 PWs) bands (ev): -37.4999 -37.4999 -37.3691 -37.3691 -13.0086 -13.0077 -13.0043 -13.0043 -11.9949 -11.9949 -11.9734 -11.9734 -11.9629 -11.9618 -1.7677 -1.7677 2.3556 2.3556 6.7994 6.7994 7.0545 7.0579 7.6897 7.6897 9.7031 9.7031 9.8023 9.8035 13.5641 13.5641 13.9953 13.9953 k = 0.3750 0.2165 0.1531 ( 7327 PWs) bands (ev): -37.4998 -37.4998 -37.3692 -37.3692 -13.0086 -13.0077 -13.0041 -13.0041 -11.9946 -11.9946 -11.9734 -11.9734 -11.9627 -11.9616 -1.7129 -1.7129 2.2385 2.2385 6.7792 6.7792 7.0352 7.0383 7.6742 7.6742 9.6732 9.6732 9.7687 9.7698 13.5810 13.5810 14.1543 14.1543 k = 0.3864 0.2231 0.1577 ( 7321 PWs) bands (ev): -37.4997 -37.4997 -37.3692 -37.3692 -13.0085 -13.0077 -13.0039 -13.0039 -11.9945 -11.9945 -11.9735 -11.9735 -11.9624 -11.9614 -1.6594 -1.6594 2.1280 2.1280 6.7608 6.7608 7.0176 7.0205 7.6599 7.6599 9.6451 9.6451 9.7373 9.7382 13.5956 13.5956 14.3170 14.3170 k = 0.3977 0.2296 0.1624 ( 7318 PWs) bands (ev): -37.4997 -37.4997 -37.3693 -37.3693 -13.0084 -13.0077 -13.0038 -13.0038 -11.9943 -11.9943 -11.9736 -11.9736 -11.9621 -11.9613 -1.6077 -1.6077 2.0248 2.0248 6.7442 6.7442 7.0018 7.0044 7.6469 7.6469 9.6190 9.6190 9.7083 9.7090 13.6082 13.6082 14.4826 14.4826 k = 0.4091 0.2362 0.1670 ( 7315 PWs) bands (ev): -37.4996 -37.4996 -37.3694 -37.3694 -13.0083 -13.0077 -13.0037 -13.0037 -11.9941 -11.9941 -11.9737 -11.9737 -11.9619 -11.9611 -1.5585 -1.5585 1.9294 1.9294 6.7294 6.7294 6.9877 6.9901 7.6352 7.6352 9.5951 9.5951 9.6818 9.6823 13.6193 13.6193 14.6505 14.6505 k = 0.4205 0.2427 0.1716 ( 7309 PWs) bands (ev): -37.4995 -37.4995 -37.3694 -37.3694 -13.0083 -13.0077 -13.0035 -13.0035 -11.9940 -11.9940 -11.9737 -11.9737 -11.9617 -11.9610 -1.5126 -1.5126 1.8426 1.8426 6.7164 6.7164 6.9754 6.9775 7.6248 7.6248 9.5736 9.5736 9.6581 9.6585 13.6289 13.6289 14.8197 14.8197 k = 0.4318 0.2493 0.1763 ( 7309 PWs) bands (ev): -37.4995 -37.4995 -37.3695 -37.3695 -13.0082 -13.0077 -13.0034 -13.0034 -11.9938 -11.9938 -11.9738 -11.9738 -11.9615 -11.9609 -1.4705 -1.4705 1.7652 1.7652 6.7051 6.7051 6.9647 6.9665 7.6158 7.6158 9.5547 9.5547 9.6372 9.6375 13.6371 13.6371 14.9890 14.9890 k = 0.4432 0.2559 0.1809 ( 7294 PWs) bands (ev): -37.4994 -37.4994 -37.3695 -37.3695 -13.0081 -13.0077 -13.0033 -13.0033 -11.9937 -11.9937 -11.9738 -11.9738 -11.9613 -11.9608 -1.4331 -1.4331 1.6978 1.6978 6.6956 6.6956 6.9558 6.9573 7.6081 7.6081 9.5385 9.5385 9.6194 9.6196 13.6441 13.6441 15.1563 15.1563 k = 0.4545 0.2624 0.1856 ( 7318 PWs) bands (ev): -37.4994 -37.4994 -37.3695 -37.3695 -13.0081 -13.0078 -13.0033 -13.0033 -11.9937 -11.9937 -11.9739 -11.9739 -11.9611 -11.9607 -1.4012 -1.4012 1.6413 1.6413 6.6878 6.6878 6.9485 6.9497 7.6018 7.6018 9.5251 9.5251 9.6047 9.6048 13.6497 13.6497 15.3187 15.3187 k = 0.4659 0.2690 0.1902 ( 7327 PWs) bands (ev): -37.4994 -37.4994 -37.3696 -37.3696 -13.0080 -13.0078 -13.0032 -13.0032 -11.9936 -11.9936 -11.9739 -11.9739 -11.9610 -11.9607 -1.3754 -1.3754 1.5965 1.5965 6.6818 6.6818 6.9429 6.9438 7.5969 7.5969 9.5146 9.5146 9.5932 9.5933 13.6541 13.6541 15.4707 15.4707 k = 0.4773 0.2756 0.1948 ( 7315 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0080 -13.0078 -13.0032 -13.0032 -11.9935 -11.9935 -11.9739 -11.9739 -11.9609 -11.9607 -1.3565 -1.3565 1.5639 1.5639 6.6775 6.6775 6.9389 6.9395 7.5934 7.5934 9.5070 9.5070 9.5849 9.5849 13.6572 13.6572 15.6027 15.6027 k = 0.4886 0.2821 0.1995 ( 7321 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0032 -13.0032 -11.9935 -11.9935 -11.9739 -11.9739 -11.9608 -11.9607 -1.3449 -1.3449 1.5442 1.5442 6.6749 6.6749 6.9366 6.9369 7.5913 7.5913 9.5025 9.5025 9.5799 9.5799 13.6591 13.6591 15.6982 15.6982 k = 0.5000 0.2887 0.2041 ( 7336 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0032 -13.0032 -11.9935 -11.9935 -11.9740 -11.9740 -11.9607 -11.9607 -1.3410 -1.3410 1.5375 1.5375 6.6740 6.6740 6.9360 6.9360 7.5906 7.5906 9.5010 9.5010 9.5783 9.5783 13.6597 13.6597 15.7345 15.7345 k = 0.5000 0.2887 0.2041 ( 7336 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0032 -13.0032 -11.9935 -11.9935 -11.9740 -11.9740 -11.9607 -11.9607 -1.3410 -1.3410 1.5375 1.5375 6.6740 6.6740 6.9360 6.9360 7.5906 7.5906 9.5010 9.5010 9.5783 9.5783 13.6597 13.6597 15.7345 15.7345 k = 0.5040 0.2770 0.2107 ( 7332 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0033 -13.0030 -11.9938 -11.9932 -11.9740 -11.9739 -11.9607 -11.9607 -1.3400 -1.3394 1.5374 1.5376 6.6458 6.6685 6.9139 6.9158 7.6111 7.6313 9.5059 9.5074 9.5837 9.5837 13.6633 13.6645 15.6193 15.6926 k = 0.5081 0.2654 0.2173 ( 7316 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0035 -13.0028 -11.9941 -11.9928 -11.9741 -11.9738 -11.9608 -11.9608 -1.3364 -1.3351 1.5371 1.5377 6.5824 6.6271 6.8620 6.8714 7.6828 7.7166 9.5216 9.5244 9.6006 9.6007 13.6752 13.6776 15.4763 15.5484 k = 0.5121 0.2538 0.2239 ( 7312 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0036 -13.0026 -11.9944 -11.9925 -11.9741 -11.9736 -11.9608 -11.9608 -1.3302 -1.3282 1.5368 1.5376 6.4861 6.5466 6.8061 6.8225 7.7827 7.8241 9.5467 9.5506 9.6309 9.6309 13.6951 13.6986 15.3217 15.3925 k = 0.5161 0.2421 0.2305 ( 7312 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0038 -13.0023 -11.9947 -11.9922 -11.9741 -11.9735 -11.9608 -11.9608 -1.3214 -1.3187 1.5362 1.5373 6.3665 6.4347 6.7554 6.7742 7.8934 7.9388 9.5805 9.5847 9.6757 9.6760 13.7228 13.7271 15.1619 15.2319 k = 0.5202 0.2305 0.2370 ( 7306 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0039 -13.0021 -11.9949 -11.9918 -11.9741 -11.9733 -11.9608 -11.9608 -1.3100 -1.3066 1.5354 1.5368 6.2332 6.3047 6.7066 6.7250 8.0049 8.0520 9.6237 9.6274 9.7350 9.7359 13.7574 13.7623 15.0002 15.0699 k = 0.5242 0.2188 0.2436 ( 7311 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0079 -13.0078 -13.0040 -13.0019 -11.9952 -11.9915 -11.9741 -11.9731 -11.9609 -11.9609 -1.2960 -1.2919 1.5342 1.5359 6.0929 6.1658 6.6561 6.6733 8.1108 8.1579 9.6783 9.6806 9.8077 9.8095 13.7976 13.8027 14.8397 14.9097 k = 0.5282 0.2072 0.2502 ( 7311 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0079 -13.0078 -13.0040 -13.0017 -11.9954 -11.9911 -11.9740 -11.9729 -11.9610 -11.9609 -1.2794 -1.2747 1.5325 1.5345 5.9494 6.0231 6.6027 6.6187 8.2068 8.2526 9.7464 9.7464 9.8924 9.8952 13.8408 13.8457 14.6839 14.7547 k = 0.5323 0.1956 0.2568 ( 7319 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0080 -13.0078 -13.0041 -13.0015 -11.9957 -11.9908 -11.9740 -11.9727 -11.9610 -11.9610 -1.2602 -1.2548 1.5301 1.5325 5.8052 5.8795 6.5463 6.5611 8.2901 8.3336 9.8263 9.8294 9.9877 9.9915 13.8814 13.8856 14.5392 14.6112 k = 0.5363 0.1839 0.2634 ( 7317 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0080 -13.0077 -13.0041 -13.0012 -11.9959 -11.9904 -11.9739 -11.9725 -11.9611 -11.9610 -1.2385 -1.2324 1.5268 1.5295 5.6620 5.7368 6.4874 6.5011 8.3594 8.4000 9.9209 9.9276 10.0924 10.0973 13.9064 13.9108 14.4190 14.4913 k = 0.5403 0.1723 0.2700 ( 7317 PWs) bands (ev): -37.4991 -37.4991 -37.3698 -37.3698 -13.0081 -13.0077 -13.0041 -13.0010 -11.9961 -11.9901 -11.9738 -11.9722 -11.9612 -11.9611 -1.2143 -1.2075 1.5225 1.5256 5.5210 5.5963 6.4264 6.4393 8.4146 8.4518 10.0294 10.0404 10.2056 10.2116 13.8901 13.8997 14.3493 14.4170 k = 0.5444 0.1606 0.2766 ( 7322 PWs) bands (ev): -37.4991 -37.4991 -37.3698 -37.3698 -13.0081 -13.0076 -13.0041 -13.0008 -11.9963 -11.9897 -11.9737 -11.9720 -11.9613 -11.9612 -1.1877 -1.1801 1.5168 1.5203 5.3831 5.4590 6.3639 6.3761 8.4566 8.4903 10.1505 10.1658 10.3263 10.3337 13.8146 13.8348 14.3482 14.4058 k = 0.5484 0.1490 0.2831 ( 7326 PWs) bands (ev): -37.4990 -37.4990 -37.3699 -37.3699 -13.0082 -13.0076 -13.0041 -13.0006 -11.9965 -11.9894 -11.9735 -11.9717 -11.9614 -11.9613 -1.1585 -1.1502 1.5096 1.5134 5.2492 5.3258 6.3006 6.3121 8.4869 8.5172 10.2820 10.3015 10.4539 10.4626 13.6980 13.7273 14.3980 14.4466 k = 0.5524 0.1374 0.2897 ( 7324 PWs) bands (ev): -37.4990 -37.4990 -37.3699 -37.3699 -13.0083 -13.0075 -13.0040 -13.0004 -11.9966 -11.9890 -11.9734 -11.9715 -11.9615 -11.9613 -1.1270 -1.1179 1.5005 1.5046 5.1200 5.1972 6.2368 6.2478 8.5073 8.5346 10.4214 10.4450 10.5876 10.5978 13.5640 13.5989 14.4746 14.5177 k = 0.5565 0.1257 0.2963 ( 7321 PWs) bands (ev): -37.4989 -37.4989 -37.3699 -37.3699 -13.0083 -13.0075 -13.0039 -13.0002 -11.9968 -11.9887 -11.9732 -11.9712 -11.9616 -11.9614 -1.0931 -1.0832 1.4891 1.4935 4.9961 5.0741 6.1731 6.1837 8.5196 8.5442 10.5662 10.5936 10.7269 10.7386 13.4252 13.4634 14.5654 14.6048 k = 0.5605 0.1141 0.3029 ( 7317 PWs) bands (ev): -37.4989 -37.4989 -37.3700 -37.3700 -13.0084 -13.0074 -13.0038 -13.0000 -11.9969 -11.9884 -11.9730 -11.9709 -11.9617 -11.9615 -1.0569 -1.0462 1.4753 1.4800 4.8781 4.9569 6.1099 6.1200 8.5254 8.5477 10.7139 10.7445 10.8712 10.8841 13.2875 13.3277 14.6609 14.6962 k = 0.5645 0.1024 0.3095 ( 7313 PWs) bands (ev): -37.4988 -37.4988 -37.3700 -37.3700 -13.0085 -13.0073 -13.0037 -12.9999 -11.9971 -11.9881 -11.9728 -11.9706 -11.9618 -11.9615 -1.0185 -1.0070 1.4587 1.4636 4.7667 4.8463 6.0474 6.0572 8.5261 8.5464 10.8617 10.8949 11.0197 11.0334 13.1551 13.1964 14.7076 14.7124 k = 0.5685 0.0908 0.3161 ( 7315 PWs) bands (ev): -37.4988 -37.4988 -37.3701 -37.3701 -13.0085 -13.0072 -13.0036 -12.9997 -11.9972 -11.9879 -11.9726 -11.9703 -11.9619 -11.9616 -0.9780 -0.9656 1.4389 1.4439 4.6625 4.7427 5.9860 5.9955 8.5229 8.5416 11.0063 11.0412 11.1720 11.1858 13.0317 13.0736 14.6497 14.6538 k = 0.5726 0.0792 0.3226 ( 7312 PWs) bands (ev): -37.4987 -37.4987 -37.3701 -37.3701 -13.0086 -13.0072 -13.0035 -12.9995 -11.9973 -11.9876 -11.9723 -11.9700 -11.9621 -11.9617 -0.9354 -0.9222 1.4158 1.4208 4.5659 4.6468 5.9259 5.9352 8.5166 8.5340 11.1431 11.1787 11.3275 11.3404 12.9218 12.9640 14.5838 14.5893 k = 0.5766 0.0675 0.3292 ( 7318 PWs) bands (ev): -37.4987 -37.4987 -37.3702 -37.3701 -13.0087 -13.0071 -13.0034 -12.9994 -11.9974 -11.9874 -11.9721 -11.9697 -11.9622 -11.9617 -0.8910 -0.8768 1.3891 1.3940 4.4774 4.5589 5.8673 5.8765 8.5082 8.5244 11.2654 11.3006 11.4861 11.4970 12.8317 12.8738 14.5197 14.5260 k = 0.5806 0.0559 0.3358 ( 7315 PWs) bands (ev): -37.4986 -37.4986 -37.3702 -37.3702 -13.0088 -13.0070 -13.0032 -12.9993 -11.9975 -11.9872 -11.9718 -11.9694 -11.9623 -11.9618 -0.8449 -0.8297 1.3587 1.3634 4.3974 4.4795 5.8106 5.8195 8.4981 8.5134 11.3636 11.3978 11.6479 11.6559 12.7698 12.8113 14.4585 14.4653 k = 0.5847 0.0442 0.3424 ( 7312 PWs) bands (ev): -37.4986 -37.4986 -37.3702 -37.3702 -13.0088 -13.0069 -13.0031 -12.9992 -11.9976 -11.9870 -11.9716 -11.9692 -11.9625 -11.9618 -0.7972 -0.7810 1.3247 1.3289 4.3262 4.4087 5.7557 5.7645 8.4870 8.5016 11.4272 11.4605 11.8126 11.8175 12.7451 12.7857 14.4004 14.4078 k = 0.5887 0.0326 0.3490 ( 7312 PWs) bands (ev): -37.4986 -37.4986 -37.3703 -37.3703 -13.0089 -13.0068 -13.0030 -12.9991 -11.9976 -11.9869 -11.9713 -11.9689 -11.9626 -11.9618 -0.7483 -0.7311 1.2870 1.2906 4.2641 4.3469 5.7028 5.7115 8.4753 8.4894 11.4489 11.4820 11.9798 11.9819 12.7639 12.8031 14.3460 14.3540 k = 0.5927 0.0210 0.3556 ( 7310 PWs) bands (ev): -37.4985 -37.4985 -37.3703 -37.3703 -13.0089 -13.0068 -13.0028 -12.9990 -11.9977 -11.9868 -11.9710 -11.9687 -11.9628 -11.9619 -0.6985 -0.6802 1.2461 1.2489 4.2111 4.2941 5.6522 5.6608 8.4633 8.4770 11.4293 11.4627 12.1486 12.1489 12.8247 12.8625 14.2957 14.3045 k = 0.5968 0.0093 0.3622 ( 7318 PWs) bands (ev): -37.4985 -37.4985 -37.3704 -37.3704 -13.0090 -13.0067 -13.0027 -12.9989 -11.9977 -11.9867 -11.9707 -11.9685 -11.9629 -11.9619 -0.6482 -0.6287 1.2023 1.2042 4.1672 4.2503 5.6038 5.6123 8.4514 8.4648 11.3761 11.4100 12.3168 12.3191 12.9188 12.9560 14.2501 14.2601 k = 0.6008-0.0023 0.3687 ( 7309 PWs) bands (ev): -37.4984 -37.4984 -37.3704 -37.3704 -13.0090 -13.0066 -13.0026 -12.9988 -11.9978 -11.9866 -11.9704 -11.9683 -11.9630 -11.9619 -0.5979 -0.5773 1.1564 1.1571 4.1323 4.2153 5.5578 5.5663 8.4397 8.4531 11.2992 11.3335 12.4853 12.4891 13.0354 13.0727 14.2104 14.2219 k = 0.6048-0.0140 0.3753 ( 7307 PWs) bands (ev): -37.4984 -37.4984 -37.3704 -37.3704 -13.0091 -13.0065 -13.0025 -12.9988 -11.9978 -11.9866 -11.9700 -11.9681 -11.9632 -11.9618 -0.5485 -0.5266 1.1088 1.1093 4.1062 4.1890 5.5143 5.5227 8.4287 8.4419 11.2070 11.2415 12.6523 12.6575 13.1645 13.2029 14.1780 14.1915 k = 0.6089-0.0256 0.3819 ( 7309 PWs) bands (ev): -37.4984 -37.4984 -37.3705 -37.3704 -13.0091 -13.0065 -13.0023 -12.9988 -11.9978 -11.9866 -11.9697 -11.9680 -11.9633 -11.9618 -0.5006 -0.4775 1.0603 1.0623 4.0885 4.1711 5.4734 5.4818 8.4183 8.4316 11.1054 11.1399 12.8155 12.8218 13.2976 13.3384 14.1552 14.1717 k = 0.6129-0.0372 0.3885 ( 7319 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0064 -13.0022 -12.9988 -11.9978 -11.9867 -11.9695 -11.9679 -11.9634 -11.9618 -0.4556 -0.4313 1.0133 1.0168 4.0789 4.1612 5.4351 5.4434 8.4088 8.4223 10.9984 11.0327 12.9711 12.9783 13.4270 13.4716 14.1458 14.1661 k = 0.6169-0.0489 0.3951 ( 7314 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0064 -13.0021 -12.9988 -11.9978 -11.9867 -11.9692 -11.9678 -11.9635 -11.9617 -0.4149 -0.3894 0.9698 0.9747 4.0769 4.1588 5.3994 5.4078 8.4004 8.4141 10.8884 10.9225 13.1137 13.1216 13.5452 13.5948 14.1550 14.1802 k = 0.6210-0.0605 0.4017 ( 7308 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0063 -13.0020 -12.9988 -11.9978 -11.9868 -11.9689 -11.9677 -11.9637 -11.9617 -0.3801 -0.3537 0.9320 0.9382 4.0820 4.1635 5.3665 5.3749 8.3931 8.4072 10.7773 10.8110 13.2360 13.2443 13.6451 13.6996 14.1895 14.2193 k = 0.6250-0.0722 0.4082 ( 7310 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0063 -13.0020 -12.9988 -11.9978 -11.9869 -11.9686 -11.9677 -11.9638 -11.9616 -0.3534 -0.3264 0.9025 0.9097 4.0938 4.1749 5.3363 5.3449 8.3871 8.4015 10.6661 10.6995 13.3306 13.3391 13.7215 13.7783 14.2550 14.2874 k = 0.6250-0.0722 0.4082 ( 7310 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0063 -13.0020 -12.9988 -11.9978 -11.9869 -11.9686 -11.9677 -11.9638 -11.9616 -0.3534 -0.3264 0.9025 0.9097 4.0938 4.1749 5.3363 5.3449 8.3871 8.4015 10.6661 10.6995 13.3306 13.3391 13.7215 13.7783 14.2550 14.2874 k = 0.6181-0.0682 0.4196 ( 7306 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0062 -13.0020 -12.9988 -11.9978 -11.9869 -11.9687 -11.9676 -11.9638 -11.9616 -0.3522 -0.3252 0.9016 0.9088 4.0947 4.1759 5.3279 5.3399 8.3970 8.4136 10.6657 10.6989 13.2943 13.3224 13.7062 13.7723 14.2628 14.3127 k = 0.6111-0.0642 0.4309 ( 7305 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0093 -13.0062 -13.0019 -12.9989 -11.9978 -11.9868 -11.9687 -11.9676 -11.9638 -11.9617 -0.3489 -0.3217 0.8989 0.9063 4.0976 4.1789 5.3048 5.3235 8.4271 8.4488 10.6642 10.6973 13.2162 13.2594 13.6661 13.7366 14.3074 14.3724 k = 0.6042-0.0601 0.4423 ( 7311 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0093 -13.0061 -13.0019 -12.9989 -11.9979 -11.9867 -11.9688 -11.9675 -11.9638 -11.9617 -0.3434 -0.3158 0.8945 0.9020 4.1023 4.1839 5.2696 5.2953 8.4773 8.5051 10.6618 10.6945 13.1156 13.1647 13.6025 13.6650 14.3920 14.4590 k = 0.5972-0.0561 0.4536 ( 7309 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0094 -13.0060 -13.0019 -12.9989 -11.9979 -11.9866 -11.9688 -11.9674 -11.9638 -11.9617 -0.3357 -0.3077 0.8882 0.8961 4.1089 4.1909 5.2242 5.2563 8.5465 8.5803 10.6583 10.6904 13.0031 13.0534 13.5183 13.5696 14.5025 14.5673 k = 0.5903-0.0521 0.4649 ( 7299 PWs) bands (ev): -37.4983 -37.4982 -37.3705 -37.3705 -13.0095 -13.0059 -13.0018 -12.9989 -11.9980 -11.9864 -11.9689 -11.9674 -11.9638 -11.9617 -0.3259 -0.2973 0.8802 0.8885 4.1174 4.1999 5.1705 5.2084 8.6327 8.6724 10.6536 10.6850 12.8850 12.9341 13.4200 13.4617 14.6276 14.6905 k = 0.5833-0.0481 0.4763 ( 7310 PWs) bands (ev): -37.4982 -37.4982 -37.3705 -37.3705 -13.0096 -13.0057 -13.0018 -12.9990 -11.9981 -11.9861 -11.9690 -11.9673 -11.9639 -11.9618 -0.3142 -0.2849 0.8704 0.8792 4.1276 4.2108 5.1105 5.1535 8.7340 8.7790 10.6477 10.6780 12.7647 12.8117 13.3136 13.3479 14.7608 14.8229 k = 0.5764-0.0441 0.4876 ( 7314 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3705 -13.0097 -13.0056 -13.0017 -12.9990 -11.9982 -11.9859 -11.9691 -11.9672 -11.9639 -11.9619 -0.3006 -0.2704 0.8589 0.8682 4.1397 4.2237 5.0463 5.0934 8.8480 8.8981 10.6403 10.6693 12.6446 12.6890 13.2034 13.2323 14.8981 14.9605 k = 0.5694-0.0401 0.4990 ( 7312 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0098 -13.0055 -13.0017 -12.9990 -11.9983 -11.9857 -11.9692 -11.9671 -11.9639 -11.9619 -0.2854 -0.2542 0.8457 0.8557 4.1534 4.2385 4.9795 5.0301 8.9724 9.0273 10.6313 10.6586 12.5264 12.5678 13.0924 13.1174 15.0370 15.1004 k = 0.5625-0.0361 0.5103 ( 7314 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0100 -13.0054 -13.0016 -12.9991 -11.9984 -11.9854 -11.9693 -11.9670 -11.9639 -11.9620 -0.2687 -0.2363 0.8309 0.8418 4.1689 4.2552 4.9120 4.9651 9.1048 9.1647 10.6206 10.6457 12.4113 12.4496 12.9828 13.0051 15.1755 15.2404 k = 0.5556-0.0321 0.5217 ( 7308 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0100 -13.0052 -13.0015 -12.9992 -11.9985 -11.9851 -11.9694 -11.9669 -11.9639 -11.9621 -0.2508 -0.2172 0.8147 0.8266 4.1858 4.2738 4.8450 4.8999 9.2428 9.3078 10.6083 10.6304 12.3006 12.3355 12.8764 12.8969 15.3117 15.3787 k = 0.5486-0.0281 0.5330 ( 7309 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0101 -13.0052 -13.0014 -12.9992 -11.9986 -11.9849 -11.9695 -11.9668 -11.9639 -11.9621 -0.2321 -0.1971 0.7974 0.8104 4.2042 4.2942 4.7799 4.8358 9.3835 9.4544 10.5943 10.6125 12.1953 12.2268 12.7746 12.7942 15.4436 15.5134 k = 0.5417-0.0241 0.5443 ( 7309 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0102 -13.0051 -13.0013 -12.9993 -11.9987 -11.9847 -11.9696 -11.9667 -11.9639 -11.9622 -0.2131 -0.1766 0.7794 0.7936 4.2238 4.3165 4.7179 4.7738 9.5235 9.6017 10.5789 10.5921 12.0970 12.1251 12.6791 12.6983 15.5693 15.6426 k = 0.5347-0.0200 0.5557 ( 7306 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0103 -13.0050 -13.0012 -12.9993 -11.9988 -11.9845 -11.9697 -11.9667 -11.9639 -11.9623 -0.1943 -0.1562 0.7612 0.7768 4.2442 4.3404 4.6602 4.7149 9.6585 9.7461 10.5620 10.5705 12.0073 12.0320 12.5914 12.6104 15.6863 15.7639 k = 0.5278-0.0160 0.5670 ( 7300 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0103 -13.0049 -13.0012 -12.9994 -11.9988 -11.9843 -11.9697 -11.9666 -11.9639 -11.9624 -0.1765 -0.1368 0.7435 0.7605 4.2649 4.3661 4.6079 4.6599 9.7829 9.8830 10.5402 10.5530 11.9284 11.9499 12.5134 12.5319 15.7915 15.8751 k = 0.5208-0.0120 0.5784 ( 7292 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0103 -13.0049 -13.0011 -12.9994 -11.9989 -11.9841 -11.9698 -11.9666 -11.9638 -11.9625 -0.1607 -0.1195 0.7274 0.7458 4.2851 4.3933 4.5626 4.6094 9.8893 10.0057 10.5155 10.5422 11.8631 11.8816 12.4472 12.4647 15.8816 15.9732 k = 0.5139-0.0080 0.5897 ( 7288 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0010 -12.9994 -11.9989 -11.9840 -11.9698 -11.9666 -11.9638 -11.9625 -0.1478 -0.1053 0.7141 0.7336 4.3028 4.4218 4.5262 4.5642 9.9695 10.1050 10.4935 10.5380 11.8148 11.8301 12.3956 12.4108 15.9523 16.0553 k = 0.5069-0.0040 0.6010 ( 7288 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0010 -12.9995 -11.9989 -11.9839 -11.9698 -11.9666 -11.9638 -11.9625 -0.1392 -0.0957 0.7050 0.7254 4.3155 4.4509 4.5017 4.5255 10.0171 10.1687 10.4801 10.5399 11.7865 11.7983 12.3621 12.3736 15.9984 16.1183 k = 0.5000-0.0000 0.6124 ( 7312 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0010 -12.9995 -11.9989 -11.9839 -11.9698 -11.9666 -11.9638 -11.9626 -0.1360 -0.0922 0.7016 0.7223 4.3200 4.4712 4.4913 4.5039 10.0319 10.1892 10.4772 10.5424 11.7783 11.7875 12.3505 12.3589 16.0147 16.1537 k = 0.5000-0.0000 0.6124 ( 7312 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0010 -12.9995 -11.9989 -11.9839 -11.9698 -11.9666 -11.9638 -11.9626 -0.1360 -0.0922 0.7016 0.7223 4.3200 4.4712 4.4913 4.5039 10.0319 10.1892 10.4772 10.5424 11.7783 11.7875 12.3505 12.3589 16.0147 16.1537 k = 0.5000 0.0080 0.6010 ( 7286 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0010 -12.9994 -11.9989 -11.9839 -11.9698 -11.9666 -11.9638 -11.9626 -0.1425 -0.0994 0.7089 0.7290 4.3106 4.4400 4.5070 4.5377 10.0208 10.1706 10.4927 10.5503 11.7733 11.7876 12.3557 12.3719 15.9869 16.1102 k = 0.5000 0.0160 0.5897 ( 7286 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0011 -12.9994 -11.9989 -11.9840 -11.9699 -11.9666 -11.9638 -11.9626 -0.1614 -0.1200 0.7298 0.7482 4.2889 4.4021 4.5421 4.5887 9.9898 10.1240 10.5296 10.5710 11.7634 11.7855 12.3763 12.4038 15.8956 15.9854 k = 0.5000 0.0241 0.5784 ( 7296 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0104 -13.0049 -13.0012 -12.9994 -11.9989 -11.9840 -11.9699 -11.9667 -11.9637 -11.9625 -0.1909 -0.1519 0.7623 0.7782 4.2639 4.3686 4.5893 4.6446 9.9442 10.0630 10.5732 10.5987 11.7545 11.7826 12.4121 12.4493 15.7432 15.8166 k = 0.5000 0.0321 0.5670 ( 7296 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0103 -13.0049 -13.0013 -12.9993 -11.9988 -11.9841 -11.9700 -11.9667 -11.9637 -11.9625 -0.2290 -0.1926 0.8036 0.8168 4.2406 4.3404 4.6439 4.7043 9.8890 9.9953 10.6139 10.6273 11.7513 11.7829 12.4597 12.5049 15.5530 15.6210 k = 0.5000 0.0401 0.5557 ( 7308 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0103 -13.0050 -13.0015 -12.9992 -11.9988 -11.9842 -11.9702 -11.9669 -11.9636 -11.9625 -0.2733 -0.2397 0.8510 0.8615 4.2211 4.3179 4.7038 4.7673 9.8280 9.9246 10.6436 10.6539 11.7581 11.7909 12.5158 12.5677 15.3439 15.4092 k = 0.5000 0.0481 0.5443 ( 7308 PWs) bands (ev): -37.4982 -37.4982 -37.3705 -37.3705 -13.0102 -13.0051 -13.0016 -12.9992 -11.9988 -11.9843 -11.9703 -11.9670 -11.9635 -11.9625 -0.3221 -0.2910 0.9025 0.9104 4.2068 4.3017 4.7678 4.8335 9.7634 9.8526 10.6588 10.6754 11.7778 11.8104 12.5771 12.6351 15.1257 15.1884 k = 0.5000 0.0561 0.5330 ( 7306 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0102 -13.0051 -13.0018 -12.9991 -11.9987 -11.9845 -11.9705 -11.9671 -11.9634 -11.9624 -0.3739 -0.3452 0.9560 0.9617 4.1986 4.2921 4.8352 4.9026 9.6971 9.7804 10.6616 10.6858 11.8121 11.8438 12.6406 12.7048 14.9047 14.9642 k = 0.5000 0.0642 0.5217 ( 7308 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0101 -13.0052 -13.0020 -12.9991 -11.9986 -11.9847 -11.9706 -11.9673 -11.9633 -11.9624 -0.4275 -0.4009 1.0103 1.0139 4.1971 4.2897 4.9057 4.9743 9.6300 9.7086 10.6525 10.6838 11.8611 11.8919 12.7027 12.7741 14.6862 14.7413 k = 0.5000 0.0722 0.5103 ( 7296 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0100 -13.0053 -13.0022 -12.9991 -11.9985 -11.9848 -11.9708 -11.9675 -11.9632 -11.9623 -0.4821 -0.4573 1.0641 1.0660 4.2027 4.2947 4.9789 5.0484 9.5628 9.6377 10.6327 10.6701 11.9235 11.9541 12.7589 12.8394 14.4755 14.5247 k = 0.5000 0.0802 0.4990 ( 7294 PWs) bands (ev): -37.4984 -37.4984 -37.3704 -37.3704 -13.0099 -13.0054 -13.0024 -12.9991 -11.9984 -11.9850 -11.9710 -11.9677 -11.9631 -11.9623 -0.5368 -0.5138 1.1162 1.1172 4.2161 4.3075 5.0545 5.1246 9.4959 9.5678 10.6038 10.6463 11.9973 12.0290 12.8028 12.8953 14.2799 14.3214 k = 0.5000 0.0882 0.4876 ( 7308 PWs) bands (ev): -37.4984 -37.4984 -37.3704 -37.3704 -13.0099 -13.0055 -13.0025 -12.9991 -11.9984 -11.9853 -11.9712 -11.9679 -11.9630 -11.9622 -0.5913 -0.5699 1.1655 1.1672 4.2376 4.3285 5.1322 5.2028 9.4298 9.4992 10.5675 10.6143 12.0799 12.1144 12.8246 12.9331 14.1097 14.1420 k = 0.5000 0.0962 0.4763 ( 7304 PWs) bands (ev): -37.4985 -37.4985 -37.3704 -37.3703 -13.0098 -13.0057 -13.0027 -12.9991 -11.9982 -11.9855 -11.9714 -11.9682 -11.9628 -11.9622 -0.6451 -0.6251 1.2121 1.2147 4.2674 4.3580 5.2118 5.2828 9.3645 9.4318 10.5255 10.5758 12.1676 12.2082 12.8112 12.9404 13.9779 14.0023 k = 0.5000 0.1042 0.4649 ( 7304 PWs) bands (ev): -37.4985 -37.4985 -37.3703 -37.3703 -13.0097 -13.0058 -13.0029 -12.9991 -11.9981 -11.9858 -11.9716 -11.9685 -11.9627 -11.9621 -0.6979 -0.6792 1.2556 1.2590 4.3060 4.3961 5.2930 5.3642 9.3001 9.3659 10.4792 10.5324 12.2541 12.3072 12.7526 12.9057 13.8966 13.9191 k = 0.5000 0.1123 0.4536 ( 7300 PWs) bands (ev): -37.4985 -37.4985 -37.3703 -37.3703 -13.0096 -13.0060 -13.0030 -12.9992 -11.9980 -11.9860 -11.9718 -11.9687 -11.9626 -11.9620 -0.7493 -0.7319 1.2957 1.2998 4.3533 4.4429 5.3755 5.4470 9.2368 9.3012 10.4298 10.4854 12.3243 12.4015 12.6563 12.8368 13.8714 13.8948 k = 0.5000 0.1203 0.4423 ( 7304 PWs) bands (ev): -37.4986 -37.4986 -37.3702 -37.3702 -13.0094 -13.0061 -13.0032 -12.9993 -11.9979 -11.9863 -11.9720 -11.9690 -11.9624 -11.9619 -0.7993 -0.7830 1.3323 1.3369 4.4095 4.4986 5.4593 5.5307 9.1745 9.2378 10.3781 10.4356 12.3362 12.4189 12.6067 12.7822 13.8941 13.9174 k = 0.5000 0.1283 0.4309 ( 7302 PWs) bands (ev): -37.4986 -37.4986 -37.3702 -37.3702 -13.0093 -13.0062 -13.0033 -12.9994 -11.9978 -11.9866 -11.9722 -11.9693 -11.9623 -11.9619 -0.8476 -0.8324 1.3652 1.3701 4.4744 4.5630 5.5439 5.6152 9.1131 9.1756 10.3248 10.3839 12.2359 12.2927 12.6917 12.8035 13.9499 13.9722 k = 0.5000 0.1363 0.4196 ( 7306 PWs) bands (ev): -37.4987 -37.4987 -37.3701 -37.3701 -13.0092 -13.0064 -13.0035 -12.9995 -11.9976 -11.9869 -11.9724 -11.9696 -11.9622 -11.9618 -0.8941 -0.8799 1.3944 1.3995 4.5481 4.6360 5.6292 5.7003 9.0525 9.1143 10.2705 10.3309 12.0604 12.1241 12.8095 12.8870 14.0265 14.0479 k = 0.5000 0.1443 0.4082 ( 7304 PWs) bands (ev): -37.4987 -37.4987 -37.3701 -37.3701 -13.0091 -13.0066 -13.0036 -12.9996 -11.9975 -11.9872 -11.9726 -11.9699 -11.9620 -11.9617 -0.9386 -0.9254 1.4201 1.4252 4.6301 4.7173 5.7149 5.7855 8.9925 9.0538 10.2157 10.2769 11.8626 11.9332 12.9361 12.9977 14.1164 14.1372 k = 0.5000 0.1524 0.3969 ( 7306 PWs) bands (ev): -37.4988 -37.4988 -37.3701 -37.3700 -13.0090 -13.0067 -13.0037 -12.9998 -11.9973 -11.9876 -11.9728 -11.9702 -11.9619 -11.9616 -0.9812 -0.9688 1.4423 1.4474 4.7203 4.8067 5.8006 5.8706 8.9328 8.9938 10.1606 10.2224 11.6577 11.7320 13.0676 13.1206 14.2152 14.2355 k = 0.5000 0.1604 0.3856 ( 7310 PWs) bands (ev): -37.4988 -37.4988 -37.3700 -37.3700 -13.0088 -13.0069 -13.0038 -12.9999 -11.9972 -11.9879 -11.9730 -11.9705 -11.9618 -11.9616 -1.0215 -1.0100 1.4612 1.4662 4.8181 4.9038 5.8861 5.9553 8.8730 8.9338 10.1057 10.1677 11.4515 11.5273 13.2023 13.2500 14.3199 14.3396 k = 0.5000 0.1684 0.3742 ( 7312 PWs) bands (ev): -37.4989 -37.4989 -37.3700 -37.3700 -13.0087 -13.0070 -13.0039 -13.0001 -11.9970 -11.9883 -11.9731 -11.9708 -11.9617 -11.9615 -1.0597 -1.0491 1.4772 1.4819 4.9233 5.0081 5.9710 6.0392 8.8126 8.8733 10.0511 10.1131 11.2468 11.3231 13.3390 13.3825 14.4269 14.4464 k = 0.5000 0.1764 0.3629 ( 7306 PWs) bands (ev): -37.4989 -37.4989 -37.3699 -37.3699 -13.0086 -13.0071 -13.0040 -13.0002 -11.9968 -11.9886 -11.9733 -11.9711 -11.9616 -11.9614 -1.0956 -1.0858 1.4906 1.4950 5.0352 5.1193 6.0549 6.1219 8.7512 8.8117 9.9973 10.0587 11.0461 11.1219 13.4759 13.5155 14.5099 14.5521 k = 0.5000 0.1844 0.3515 ( 7312 PWs) bands (ev): -37.4990 -37.4990 -37.3699 -37.3699 -13.0085 -13.0072 -13.0040 -13.0004 -11.9967 -11.9890 -11.9734 -11.9714 -11.9615 -11.9613 -1.1293 -1.1202 1.5015 1.5056 5.1534 5.2366 6.1375 6.2029 8.6879 8.7483 9.9444 10.0050 10.8512 10.9260 13.6103 13.6449 14.4703 14.5226 k = 0.5000 0.1925 0.3402 ( 7306 PWs) bands (ev): -37.4990 -37.4990 -37.3698 -37.3698 -13.0084 -13.0074 -13.0041 -13.0006 -11.9965 -11.9893 -11.9736 -11.9717 -11.9614 -11.9612 -1.1605 -1.1522 1.5103 1.5141 5.2773 5.3597 6.2183 6.2818 8.6218 8.6821 9.8928 9.9520 10.6640 10.7370 13.7362 13.7639 14.4041 14.4585 k = 0.5000 0.2005 0.3289 ( 7310 PWs) bands (ev): -37.4991 -37.4991 -37.3698 -37.3698 -13.0083 -13.0075 -13.0041 -13.0008 -11.9963 -11.9897 -11.9737 -11.9720 -11.9613 -11.9612 -1.1893 -1.1818 1.5173 1.5207 5.4064 5.4879 6.2968 6.3580 8.5520 8.6119 9.8428 9.9002 10.4863 10.5569 13.8408 13.8586 14.3634 14.4257 k = 0.5000 0.2085 0.3175 ( 7310 PWs) bands (ev): -37.4991 -37.4991 -37.3698 -37.3698 -13.0082 -13.0076 -13.0041 -13.0010 -11.9961 -11.9900 -11.9738 -11.9723 -11.9612 -11.9611 -1.2158 -1.2090 1.5228 1.5259 5.5398 5.6205 6.3726 6.4311 8.4774 8.5367 9.7947 9.8498 10.3201 10.3874 13.9018 13.9101 14.3740 14.4447 k = 0.5000 0.2165 0.3062 ( 7320 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0081 -13.0076 -13.0041 -13.0013 -11.9959 -11.9904 -11.9739 -11.9725 -11.9611 -11.9610 -1.2397 -1.2336 1.5271 1.5298 5.6769 5.7567 6.4452 6.5005 8.3968 8.4551 9.7490 9.8011 10.1674 10.2304 13.9084 13.9130 14.4477 14.5213 k = 0.5000 0.2245 0.2948 ( 7314 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0080 -13.0077 -13.0041 -13.0015 -11.9957 -11.9908 -11.9740 -11.9727 -11.9610 -11.9610 -1.2611 -1.2558 1.5302 1.5326 5.8167 5.8956 6.5140 6.5657 8.3093 8.3663 9.7061 9.7544 10.0301 10.0878 13.8802 13.8848 14.5653 14.6379 k = 0.5000 0.2325 0.2835 ( 7310 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0080 -13.0078 -13.0040 -13.0017 -11.9954 -11.9911 -11.9740 -11.9729 -11.9609 -11.9609 -1.2801 -1.2754 1.5326 1.5346 5.9580 6.0358 6.5787 6.6262 8.2142 8.2694 9.6662 9.7099 9.9100 9.9612 13.8391 13.8441 14.7050 14.7762 k = 0.5000 0.2406 0.2722 ( 7312 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0080 -13.0078 -13.0040 -13.0019 -11.9952 -11.9915 -11.9741 -11.9731 -11.9609 -11.9609 -1.2965 -1.2925 1.5342 1.5359 6.0991 6.1755 6.6390 6.6819 8.1118 8.1648 9.6298 9.6677 9.8086 9.8519 13.7961 13.8013 14.8554 14.9257 k = 0.5000 0.2486 0.2608 ( 7316 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0078 -13.0039 -13.0021 -11.9949 -11.9918 -11.9741 -11.9733 -11.9608 -11.9608 -1.3103 -1.3070 1.5354 1.5368 6.2375 6.3118 6.6953 6.7328 8.0031 8.0535 9.5970 9.6272 9.7273 9.7609 13.7563 13.7612 15.0111 15.0811 k = 0.5000 0.2566 0.2495 ( 7306 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0038 -13.0023 -11.9947 -11.9922 -11.9741 -11.9735 -11.9608 -11.9608 -1.3216 -1.3190 1.5362 1.5373 6.3693 6.4393 6.7490 6.7802 7.8910 7.9379 9.5678 9.5883 9.6668 9.6890 13.7221 13.7264 15.1688 15.2390 k = 0.5000 0.2646 0.2381 ( 7314 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0036 -13.0026 -11.9944 -11.9925 -11.9741 -11.9736 -11.9608 -11.9608 -1.3304 -1.3284 1.5368 1.5376 6.4878 6.5490 6.8034 6.8261 7.7808 7.8226 9.5421 9.5528 9.6254 9.6363 13.6947 13.6982 15.3257 15.3967 k = 0.5000 0.2726 0.2268 ( 7318 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0035 -13.0028 -11.9941 -11.9929 -11.9741 -11.9738 -11.9608 -11.9608 -1.3365 -1.3352 1.5371 1.5377 6.5832 6.6279 6.8615 6.8729 7.6817 7.7155 9.5206 9.5248 9.5987 9.6022 13.6750 13.6774 15.4783 15.5505 k = 0.5000 0.2807 0.2155 ( 7330 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0033 -13.0030 -11.9938 -11.9932 -11.9740 -11.9739 -11.9607 -11.9607 -1.3401 -1.3394 1.5374 1.5376 6.6461 6.6687 6.9140 6.9161 7.6108 7.6309 9.5058 9.5073 9.5834 9.5838 13.6633 13.6645 15.6201 15.6934 k = 0.5000 0.2887 0.2041 ( 7336 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0032 -13.0032 -11.9935 -11.9935 -11.9740 -11.9740 -11.9607 -11.9607 -1.3410 -1.3410 1.5375 1.5375 6.6740 6.6740 6.9360 6.9360 7.5906 7.5906 9.5010 9.5010 9.5783 9.5783 13.6597 13.6597 15.7345 15.7345 k = 0.5000 0.2887 0.2041 ( 7336 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0032 -13.0032 -11.9935 -11.9935 -11.9740 -11.9740 -11.9607 -11.9607 -1.3410 -1.3410 1.5375 1.5375 6.6740 6.6740 6.9360 6.9360 7.5906 7.5906 9.5010 9.5010 9.5783 9.5783 13.6597 13.6597 15.7345 15.7345 k = 0.4960 0.2863 0.2173 ( 7332 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0033 -13.0030 -11.9938 -11.9932 -11.9740 -11.9739 -11.9607 -11.9607 -1.3400 -1.3394 1.5374 1.5376 6.6458 6.6685 6.9139 6.9158 7.6111 7.6313 9.5059 9.5074 9.5837 9.5837 13.6633 13.6645 15.6193 15.6926 k = 0.4919 0.2840 0.2305 ( 7316 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0035 -13.0028 -11.9941 -11.9928 -11.9741 -11.9738 -11.9608 -11.9608 -1.3364 -1.3351 1.5371 1.5377 6.5824 6.6271 6.8620 6.8714 7.6828 7.7166 9.5216 9.5244 9.6006 9.6007 13.6752 13.6776 15.4763 15.5484 k = 0.4879 0.2817 0.2436 ( 7312 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0036 -13.0026 -11.9944 -11.9925 -11.9741 -11.9736 -11.9608 -11.9608 -1.3302 -1.3282 1.5368 1.5376 6.4861 6.5466 6.8061 6.8225 7.7827 7.8241 9.5467 9.5506 9.6309 9.6309 13.6951 13.6986 15.3217 15.3925 k = 0.4839 0.2794 0.2568 ( 7312 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0038 -13.0023 -11.9947 -11.9922 -11.9741 -11.9735 -11.9608 -11.9608 -1.3214 -1.3187 1.5362 1.5373 6.3665 6.4347 6.7554 6.7742 7.8934 7.9388 9.5805 9.5847 9.6757 9.6760 13.7228 13.7271 15.1619 15.2319 k = 0.4798 0.2770 0.2700 ( 7306 PWs) bands (ev): -37.4993 -37.4993 -37.3696 -37.3696 -13.0079 -13.0079 -13.0039 -13.0021 -11.9949 -11.9918 -11.9741 -11.9733 -11.9608 -11.9608 -1.3100 -1.3066 1.5354 1.5368 6.2332 6.3047 6.7066 6.7250 8.0049 8.0520 9.6237 9.6274 9.7350 9.7359 13.7574 13.7623 15.0002 15.0699 k = 0.4758 0.2747 0.2831 ( 7311 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0079 -13.0078 -13.0040 -13.0019 -11.9952 -11.9915 -11.9741 -11.9731 -11.9609 -11.9609 -1.2960 -1.2919 1.5342 1.5359 6.0929 6.1658 6.6561 6.6733 8.1108 8.1579 9.6783 9.6806 9.8077 9.8095 13.7976 13.8027 14.8397 14.9097 k = 0.4718 0.2724 0.2963 ( 7311 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0079 -13.0078 -13.0040 -13.0017 -11.9954 -11.9911 -11.9740 -11.9729 -11.9610 -11.9609 -1.2794 -1.2747 1.5325 1.5345 5.9494 6.0231 6.6027 6.6187 8.2068 8.2526 9.7464 9.7464 9.8924 9.8952 13.8408 13.8457 14.6839 14.7547 k = 0.4677 0.2701 0.3095 ( 7319 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0080 -13.0078 -13.0041 -13.0015 -11.9957 -11.9908 -11.9740 -11.9727 -11.9610 -11.9610 -1.2602 -1.2548 1.5301 1.5325 5.8052 5.8795 6.5463 6.5611 8.2901 8.3336 9.8263 9.8294 9.9877 9.9915 13.8814 13.8856 14.5392 14.6112 k = 0.4637 0.2677 0.3226 ( 7317 PWs) bands (ev): -37.4992 -37.4992 -37.3697 -37.3697 -13.0080 -13.0077 -13.0041 -13.0012 -11.9959 -11.9904 -11.9739 -11.9725 -11.9611 -11.9610 -1.2385 -1.2324 1.5268 1.5295 5.6620 5.7368 6.4874 6.5011 8.3594 8.4000 9.9209 9.9276 10.0924 10.0973 13.9064 13.9108 14.4190 14.4913 k = 0.4597 0.2654 0.3358 ( 7317 PWs) bands (ev): -37.4991 -37.4991 -37.3698 -37.3698 -13.0081 -13.0077 -13.0041 -13.0010 -11.9961 -11.9901 -11.9738 -11.9722 -11.9612 -11.9611 -1.2143 -1.2075 1.5225 1.5256 5.5210 5.5963 6.4264 6.4393 8.4146 8.4518 10.0294 10.0404 10.2056 10.2116 13.8901 13.8997 14.3493 14.4170 k = 0.4556 0.2631 0.3490 ( 7322 PWs) bands (ev): -37.4991 -37.4991 -37.3698 -37.3698 -13.0081 -13.0076 -13.0041 -13.0008 -11.9963 -11.9897 -11.9737 -11.9720 -11.9613 -11.9612 -1.1877 -1.1801 1.5168 1.5203 5.3831 5.4591 6.3639 6.3761 8.4566 8.4903 10.1505 10.1658 10.3263 10.3337 13.8146 13.8348 14.3482 14.4058 k = 0.4516 0.2607 0.3622 ( 7326 PWs) bands (ev): -37.4990 -37.4990 -37.3699 -37.3699 -13.0082 -13.0076 -13.0041 -13.0006 -11.9965 -11.9894 -11.9735 -11.9717 -11.9614 -11.9613 -1.1585 -1.1502 1.5096 1.5134 5.2492 5.3258 6.3006 6.3121 8.4869 8.5172 10.2820 10.3015 10.4539 10.4626 13.6980 13.7273 14.3980 14.4466 k = 0.4476 0.2584 0.3753 ( 7324 PWs) bands (ev): -37.4990 -37.4990 -37.3699 -37.3699 -13.0083 -13.0075 -13.0040 -13.0004 -11.9966 -11.9890 -11.9734 -11.9715 -11.9615 -11.9613 -1.1270 -1.1179 1.5005 1.5046 5.1200 5.1972 6.2368 6.2478 8.5073 8.5346 10.4214 10.4450 10.5876 10.5978 13.5640 13.5989 14.4746 14.5177 k = 0.4435 0.2561 0.3885 ( 7321 PWs) bands (ev): -37.4989 -37.4989 -37.3699 -37.3699 -13.0083 -13.0075 -13.0039 -13.0002 -11.9968 -11.9887 -11.9732 -11.9712 -11.9616 -11.9614 -1.0931 -1.0832 1.4891 1.4935 4.9961 5.0741 6.1731 6.1837 8.5196 8.5442 10.5662 10.5936 10.7269 10.7386 13.4252 13.4634 14.5654 14.6048 k = 0.4395 0.2538 0.4017 ( 7317 PWs) bands (ev): -37.4989 -37.4989 -37.3700 -37.3700 -13.0084 -13.0074 -13.0038 -13.0000 -11.9969 -11.9884 -11.9730 -11.9709 -11.9617 -11.9615 -1.0569 -1.0462 1.4753 1.4800 4.8781 4.9569 6.1099 6.1200 8.5254 8.5477 10.7139 10.7445 10.8712 10.8841 13.2875 13.3277 14.6609 14.6962 k = 0.4355 0.2514 0.4148 ( 7313 PWs) bands (ev): -37.4988 -37.4988 -37.3700 -37.3700 -13.0085 -13.0073 -13.0037 -12.9999 -11.9971 -11.9881 -11.9728 -11.9706 -11.9618 -11.9615 -1.0185 -1.0070 1.4587 1.4636 4.7667 4.8463 6.0474 6.0572 8.5261 8.5464 10.8617 10.8949 11.0197 11.0334 13.1551 13.1964 14.7076 14.7124 k = 0.4315 0.2491 0.4280 ( 7315 PWs) bands (ev): -37.4988 -37.4988 -37.3701 -37.3701 -13.0085 -13.0072 -13.0036 -12.9997 -11.9972 -11.9879 -11.9726 -11.9703 -11.9619 -11.9616 -0.9780 -0.9656 1.4389 1.4439 4.6625 4.7427 5.9860 5.9955 8.5229 8.5416 11.0063 11.0412 11.1720 11.1858 13.0317 13.0736 14.6497 14.6538 k = 0.4274 0.2468 0.4412 ( 7312 PWs) bands (ev): -37.4987 -37.4987 -37.3701 -37.3701 -13.0086 -13.0072 -13.0035 -12.9995 -11.9973 -11.9876 -11.9723 -11.9700 -11.9621 -11.9617 -0.9354 -0.9222 1.4158 1.4208 4.5659 4.6468 5.9259 5.9352 8.5166 8.5340 11.1431 11.1787 11.3275 11.3404 12.9218 12.9640 14.5838 14.5893 k = 0.4234 0.2444 0.4543 ( 7318 PWs) bands (ev): -37.4987 -37.4987 -37.3702 -37.3701 -13.0087 -13.0071 -13.0034 -12.9994 -11.9974 -11.9874 -11.9721 -11.9697 -11.9622 -11.9617 -0.8910 -0.8768 1.3891 1.3940 4.4774 4.5589 5.8673 5.8765 8.5082 8.5244 11.2654 11.3006 11.4861 11.4970 12.8317 12.8738 14.5197 14.5260 k = 0.4194 0.2421 0.4675 ( 7315 PWs) bands (ev): -37.4986 -37.4986 -37.3702 -37.3702 -13.0088 -13.0070 -13.0032 -12.9993 -11.9975 -11.9872 -11.9718 -11.9694 -11.9623 -11.9618 -0.8449 -0.8297 1.3587 1.3634 4.3974 4.4795 5.8106 5.8195 8.4981 8.5134 11.3636 11.3978 11.6479 11.6559 12.7698 12.8113 14.4585 14.4653 k = 0.4153 0.2398 0.4807 ( 7312 PWs) bands (ev): -37.4986 -37.4986 -37.3702 -37.3702 -13.0088 -13.0069 -13.0031 -12.9992 -11.9976 -11.9870 -11.9716 -11.9692 -11.9625 -11.9618 -0.7972 -0.7810 1.3247 1.3289 4.3262 4.4087 5.7557 5.7645 8.4870 8.5016 11.4272 11.4605 11.8126 11.8175 12.7452 12.7857 14.4004 14.4078 k = 0.4113 0.2375 0.4938 ( 7312 PWs) bands (ev): -37.4986 -37.4986 -37.3703 -37.3703 -13.0089 -13.0068 -13.0030 -12.9991 -11.9976 -11.9869 -11.9713 -11.9689 -11.9626 -11.9618 -0.7483 -0.7311 1.2870 1.2906 4.2641 4.3469 5.7028 5.7115 8.4753 8.4894 11.4489 11.4820 11.9798 11.9819 12.7639 12.8031 14.3460 14.3540 k = 0.4073 0.2351 0.5070 ( 7310 PWs) bands (ev): -37.4985 -37.4985 -37.3703 -37.3703 -13.0089 -13.0068 -13.0028 -12.9990 -11.9977 -11.9868 -11.9710 -11.9687 -11.9628 -11.9619 -0.6985 -0.6802 1.2461 1.2489 4.2111 4.2941 5.6522 5.6608 8.4633 8.4770 11.4293 11.4627 12.1486 12.1489 12.8247 12.8625 14.2957 14.3045 k = 0.4032 0.2328 0.5202 ( 7318 PWs) bands (ev): -37.4985 -37.4985 -37.3704 -37.3704 -13.0090 -13.0067 -13.0027 -12.9989 -11.9977 -11.9867 -11.9707 -11.9685 -11.9629 -11.9619 -0.6482 -0.6287 1.2023 1.2042 4.1672 4.2503 5.6038 5.6123 8.4514 8.4648 11.3761 11.4100 12.3168 12.3191 12.9188 12.9560 14.2501 14.2601 k = 0.3992 0.2305 0.5334 ( 7309 PWs) bands (ev): -37.4984 -37.4984 -37.3704 -37.3704 -13.0090 -13.0066 -13.0026 -12.9988 -11.9978 -11.9866 -11.9704 -11.9683 -11.9630 -11.9619 -0.5979 -0.5773 1.1564 1.1571 4.1323 4.2153 5.5578 5.5663 8.4397 8.4531 11.2992 11.3335 12.4853 12.4891 13.0354 13.0727 14.2104 14.2219 k = 0.3952 0.2281 0.5465 ( 7307 PWs) bands (ev): -37.4984 -37.4984 -37.3704 -37.3704 -13.0091 -13.0065 -13.0025 -12.9988 -11.9978 -11.9866 -11.9700 -11.9681 -11.9632 -11.9618 -0.5485 -0.5266 1.1088 1.1093 4.1062 4.1890 5.5143 5.5227 8.4287 8.4419 11.2070 11.2415 12.6523 12.6575 13.1645 13.2029 14.1780 14.1915 k = 0.3911 0.2258 0.5597 ( 7309 PWs) bands (ev): -37.4984 -37.4984 -37.3705 -37.3704 -13.0091 -13.0065 -13.0023 -12.9988 -11.9978 -11.9866 -11.9697 -11.9680 -11.9633 -11.9618 -0.5006 -0.4775 1.0603 1.0623 4.0885 4.1711 5.4734 5.4818 8.4183 8.4316 11.1054 11.1399 12.8155 12.8218 13.2976 13.3384 14.1552 14.1717 k = 0.3871 0.2235 0.5729 ( 7319 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0064 -13.0022 -12.9988 -11.9978 -11.9867 -11.9695 -11.9679 -11.9634 -11.9618 -0.4556 -0.4313 1.0133 1.0168 4.0789 4.1612 5.4350 5.4434 8.4088 8.4223 10.9984 11.0327 12.9711 12.9783 13.4270 13.4716 14.1458 14.1661 k = 0.3831 0.2212 0.5860 ( 7314 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0064 -13.0021 -12.9988 -11.9978 -11.9867 -11.9692 -11.9678 -11.9635 -11.9617 -0.4149 -0.3894 0.9698 0.9747 4.0769 4.1588 5.3994 5.4078 8.4004 8.4141 10.8884 10.9225 13.1137 13.1216 13.5452 13.5948 14.1550 14.1801 k = 0.3790 0.2188 0.5992 ( 7308 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0063 -13.0020 -12.9988 -11.9978 -11.9868 -11.9689 -11.9677 -11.9637 -11.9617 -0.3801 -0.3537 0.9320 0.9382 4.0820 4.1635 5.3665 5.3749 8.3931 8.4072 10.7773 10.8110 13.2360 13.2443 13.6451 13.6996 14.1895 14.2193 k = 0.3750 0.2165 0.6124 ( 7310 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0063 -13.0020 -12.9988 -11.9978 -11.9869 -11.9686 -11.9677 -11.9638 -11.9616 -0.3534 -0.3264 0.9025 0.9097 4.0938 4.1749 5.3363 5.3449 8.3871 8.4015 10.6661 10.6995 13.3306 13.3391 13.7215 13.7783 14.2550 14.2874 k = 0.6250-0.0722 0.4082 ( 7310 PWs) bands (ev): -37.4983 -37.4983 -37.3705 -37.3705 -13.0092 -13.0063 -13.0020 -12.9988 -11.9978 -11.9869 -11.9686 -11.9677 -11.9638 -11.9616 -0.3534 -0.3264 0.9025 0.9097 4.0938 4.1749 5.3363 5.3449 8.3871 8.4015 10.6661 10.6995 13.3306 13.3391 13.7215 13.7783 14.2550 14.2874 k = 0.6181-0.0842 0.4082 ( 7306 PWs) bands (ev): -37.4983 -37.4982 -37.3705 -37.3705 -13.0092 -13.0062 -13.0018 -12.9989 -11.9977 -11.9872 -11.9682 -11.9676 -11.9639 -11.9616 -0.3174 -0.2898 0.8626 0.8710 4.1223 4.2027 5.2881 5.2968 8.3779 8.3931 10.4759 10.5083 13.4673 13.4758 13.8317 13.8886 14.3973 14.4310 k = 0.6111-0.0962 0.4082 ( 7310 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0092 -13.0061 -13.0017 -12.9990 -11.9976 -11.9874 -11.9678 -11.9675 -11.9641 -11.9615 -0.2857 -0.2577 0.8270 0.8366 4.1562 4.2357 5.2424 5.2513 8.3687 8.3848 10.2879 10.3191 13.6047 13.6134 13.9430 13.9998 14.5407 14.5759 k = 0.6042-0.1083 0.4082 ( 7308 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0092 -13.0061 -13.0016 -12.9991 -11.9976 -11.9877 -11.9675 -11.9674 -11.9642 -11.9614 -0.2581 -0.2301 0.7959 0.8063 4.1952 4.2736 5.1993 5.2085 8.3594 8.3765 10.1031 10.1329 13.7427 13.7514 14.0549 14.1113 14.6846 14.7218 k = 0.5972-0.1203 0.4082 ( 7302 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0092 -13.0061 -13.0015 -12.9992 -11.9975 -11.9880 -11.9674 -11.9670 -11.9643 -11.9613 -0.2347 -0.2069 0.7690 0.7801 4.2388 4.3160 5.1589 5.1684 8.3499 8.3682 9.9227 9.9508 13.8807 13.8896 14.1671 14.2228 14.8285 14.8683 k = 0.5903-0.1323 0.4082 ( 7298 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0091 -13.0061 -13.0013 -12.9994 -11.9973 -11.9884 -11.9673 -11.9667 -11.9644 -11.9613 -0.2152 -0.1879 0.7463 0.7576 4.2867 4.3624 5.1211 5.1310 8.3401 8.3598 9.7479 9.7740 14.0184 14.0274 14.2791 14.3337 14.9718 15.0148 k = 0.5833-0.1443 0.4082 ( 7290 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0091 -13.0061 -13.0012 -12.9995 -11.9972 -11.9887 -11.9673 -11.9664 -11.9644 -11.9612 -0.1994 -0.1731 0.7274 0.7388 4.3382 4.4123 5.0861 5.0965 8.3298 8.3511 9.5798 9.6033 14.1552 14.1642 14.3903 14.4436 15.1136 15.1607 k = 0.5764-0.1564 0.4082 ( 7278 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0090 -13.0061 -13.0011 -12.9996 -11.9970 -11.9891 -11.9672 -11.9662 -11.9643 -11.9612 -0.1870 -0.1619 0.7121 0.7233 4.3925 4.4647 5.0538 5.0648 8.3188 8.3419 9.4196 9.4402 14.2903 14.2995 14.5001 14.5516 15.2529 15.3050 k = 0.5694-0.1684 0.4082 ( 7272 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0089 -13.0061 -13.0011 -12.9997 -11.9968 -11.9895 -11.9672 -11.9661 -11.9642 -11.9611 -0.1775 -0.1540 0.6999 0.7106 4.4488 4.5189 5.0243 5.0360 8.3067 8.3319 9.2688 9.2858 14.4230 14.4323 14.6077 14.6569 15.3886 15.4467 k = 0.5625-0.1804 0.4082 ( 7276 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0088 -13.0062 -13.0010 -12.9998 -11.9966 -11.9899 -11.9671 -11.9661 -11.9640 -11.9611 -0.1706 -0.1488 0.6905 0.7005 4.5061 4.5737 4.9976 5.0102 8.2931 8.3205 9.1289 9.1417 14.5522 14.5616 14.7122 14.7587 15.5194 15.5840 k = 0.5556-0.1925 0.4082 ( 7280 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0087 -13.0063 -13.0009 -12.9999 -11.9964 -11.9903 -11.9671 -11.9661 -11.9638 -11.9611 -0.1657 -0.1460 0.6834 0.6926 4.5632 4.6280 4.9739 4.9875 8.2775 8.3073 9.0016 9.0098 14.6766 14.6861 14.8126 14.8558 15.6442 15.7139 k = 0.5486-0.2045 0.4082 ( 7274 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0086 -13.0064 -13.0008 -13.0000 -11.9961 -11.9908 -11.9670 -11.9661 -11.9635 -11.9611 -0.1624 -0.1449 0.6782 0.6864 4.6187 4.6803 4.9534 4.9681 8.2593 8.2912 8.8889 8.8921 14.7947 14.8043 14.9077 14.9470 15.7623 15.8325 k = 0.5417-0.2165 0.4082 ( 7272 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0084 -13.0065 -13.0008 -13.0001 -11.9958 -11.9912 -11.9670 -11.9662 -11.9632 -11.9612 -0.1603 -0.1451 0.6746 0.6817 4.6710 4.7289 4.9362 4.9522 8.2383 8.2715 8.7910 8.7925 14.9048 14.9143 14.9959 15.0307 15.8730 15.9383 k = 0.5347-0.2285 0.4082 ( 7284 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0083 -13.0066 -13.0007 -13.0001 -11.9955 -11.9916 -11.9670 -11.9663 -11.9630 -11.9612 -0.1590 -0.1462 0.6721 0.6781 4.7182 4.7717 4.9230 4.9402 8.2146 8.2477 8.7083 8.7136 15.0046 15.0140 15.0756 15.1052 15.9757 16.0332 k = 0.5278-0.2406 0.4082 ( 7288 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0081 -13.0068 -13.0007 -13.0002 -11.9952 -11.9921 -11.9669 -11.9664 -11.9627 -11.9613 -0.1581 -0.1478 0.6706 0.6755 4.7585 4.8058 4.9150 4.9323 8.1898 8.2204 8.6450 8.6524 15.0920 15.1009 15.1449 15.1687 16.0693 16.1179 k = 0.5208-0.2526 0.4082 ( 7288 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0079 -13.0069 -13.0006 -13.0003 -11.9949 -11.9925 -11.9668 -11.9664 -11.9625 -11.9614 -0.1574 -0.1497 0.6698 0.6734 4.7902 4.8282 4.9140 4.9289 8.1664 8.1919 8.6002 8.6077 15.1646 15.1725 15.2018 15.2193 16.1514 16.1905 k = 0.5139-0.2646 0.4082 ( 7292 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0078 -13.0071 -13.0006 -13.0003 -11.9945 -11.9929 -11.9668 -11.9665 -11.9623 -11.9616 -0.1567 -0.1516 0.6695 0.6719 4.8124 4.8379 4.9195 4.9292 8.1479 8.1661 8.5716 8.5775 15.2202 15.2265 15.2438 15.2550 16.2184 16.2465 k = 0.5069-0.2766 0.4082 ( 7272 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0076 -13.0072 -13.0005 -13.0004 -11.9941 -11.9934 -11.9667 -11.9666 -11.9620 -11.9617 -0.1558 -0.1533 0.6696 0.6708 4.8265 4.8388 4.9265 4.9308 8.1373 8.1467 8.5565 8.5597 15.2573 15.2610 15.2690 15.2741 16.2654 16.2803 k = 0.5000-0.2887 0.4082 ( 7296 PWs) bands (ev): -37.4982 -37.4982 -37.3706 -37.3706 -13.0074 -13.0074 -13.0005 -13.0005 -11.9938 -11.9938 -11.9667 -11.9667 -11.9619 -11.9619 -0.1547 -0.1547 0.6701 0.6701 4.8347 4.8347 4.9306 4.9306 8.1367 8.1367 8.5528 8.5528 15.2751 15.2751 15.2752 15.2752 16.2870 16.2870 Writing output data file Li2SnGe.save init_run : 0.84s CPU 0.49s WALL ( 1 calls) electrons : 262.89s CPU 161.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.08s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 262.89s CPU 161.48s 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 : 0.16s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.31s CPU 0.50s WALL ( 337 calls) cegterg : 226.22s CPU 140.16s WALL ( 443 calls) Called by sum_band: Called by *egterg: h_psi : 185.15s CPU 104.76s WALL ( 7617 calls) s_psi : 4.16s CPU 2.60s WALL ( 7617 calls) g_psi : 0.42s CPU 0.25s WALL ( 6837 calls) cdiaghg : 45.43s CPU 34.20s WALL ( 7174 calls) cegterg:over : 7.62s CPU 5.04s WALL ( 6837 calls) cegterg:upda : 7.68s CPU 5.38s WALL ( 6837 calls) cegterg:last : 3.89s CPU 2.55s WALL ( 1117 calls) cdiaghg:chol : 2.64s CPU 2.02s WALL ( 7174 calls) cdiaghg:inve : 1.18s CPU 0.83s WALL ( 7174 calls) cdiaghg:para : 2.48s CPU 1.95s WALL ( 14348 calls) Called by h_psi: h_psi:vloc : 173.76s CPU 97.94s WALL ( 7617 calls) h_psi:vnl : 11.00s CPU 6.61s WALL ( 7617 calls) add_vuspsi : 5.53s CPU 3.36s WALL ( 7617 calls) General routines calbec : 5.40s CPU 3.22s WALL ( 7617 calls) fft : 0.11s CPU 0.06s WALL ( 15 calls) fftw : 164.52s CPU 92.28s WALL ( 475684 calls) davcio : 0.45s CPU 0.99s WALL ( 674 calls) Parallel routines fft_scatter : 62.08s CPU 37.74s WALL ( 475699 calls) PWSCF : 4m39.16s CPU 3m 8.07s WALL This run was terminated on: 4: 4:10 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=