Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:40:24 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: ./TiSnPt.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 41 12 1667 1056 159 Max 57 42 13 1670 1068 163 Sum 2029 1495 433 60039 38157 5817 bravais-lattice index = 14 lattice parameter (alat) = 8.2312 a.u. unit-cell volume = 394.3471 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.231226 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 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. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 3 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) Ti 12.00 47.86700 Ti( 1.00) Pt 10.00 195.08400 Pt( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 345 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 2) = ( 0.0098039 -0.0056603 0.0080049), wk = 0.0028986 k( 3) = ( 0.0196078 -0.0113206 0.0160097), wk = 0.0028986 k( 4) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0028986 k( 5) = ( 0.0392157 -0.0226412 0.0320195), wk = 0.0028986 k( 6) = ( 0.0490196 -0.0283015 0.0400243), wk = 0.0028986 k( 7) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0028986 k( 8) = ( 0.0686275 -0.0396221 0.0560341), wk = 0.0028986 k( 9) = ( 0.0784314 -0.0452824 0.0640389), wk = 0.0028986 k( 10) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0028986 k( 11) = ( 0.0980392 -0.0566030 0.0800487), wk = 0.0028986 k( 12) = ( 0.1078431 -0.0622633 0.0880536), wk = 0.0028986 k( 13) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0028986 k( 14) = ( 0.1274510 -0.0735839 0.1040633), wk = 0.0028986 k( 15) = ( 0.1372549 -0.0792442 0.1120682), wk = 0.0028986 k( 16) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0028986 k( 17) = ( 0.1568627 -0.0905648 0.1280779), wk = 0.0028986 k( 18) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0028986 k( 19) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0028986 k( 20) = ( 0.1862745 -0.1075456 0.1520925), wk = 0.0028986 k( 21) = ( 0.1960784 -0.1132059 0.1600974), wk = 0.0028986 k( 22) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0028986 k( 23) = ( 0.2156863 -0.1245265 0.1761071), wk = 0.0028986 k( 24) = ( 0.2254902 -0.1301868 0.1841120), wk = 0.0028986 k( 25) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0028986 k( 26) = ( 0.2450980 -0.1415074 0.2001217), wk = 0.0028986 k( 27) = ( 0.2549020 -0.1471677 0.2081266), wk = 0.0028986 k( 28) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0028986 k( 29) = ( 0.2745098 -0.1584883 0.2241363), wk = 0.0028986 k( 30) = ( 0.2843137 -0.1641486 0.2321412), wk = 0.0028986 k( 31) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0028986 k( 32) = ( 0.3039216 -0.1754692 0.2481509), wk = 0.0028986 k( 33) = ( 0.3137255 -0.1811295 0.2561558), wk = 0.0028986 k( 34) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0028986 k( 35) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0028986 k( 36) = ( 0.3431373 -0.1981104 0.2801704), wk = 0.0028986 k( 37) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0028986 k( 38) = ( 0.3627451 -0.2094310 0.2961801), wk = 0.0028986 k( 39) = ( 0.3725490 -0.2150913 0.3041850), wk = 0.0028986 k( 40) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0028986 k( 41) = ( 0.3921569 -0.2264119 0.3201947), wk = 0.0028986 k( 42) = ( 0.4019608 -0.2320722 0.3281996), wk = 0.0028986 k( 43) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0028986 k( 44) = ( 0.4215686 -0.2433928 0.3442093), wk = 0.0028986 k( 45) = ( 0.4313726 -0.2490531 0.3522142), wk = 0.0028986 k( 46) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0028986 k( 47) = ( 0.4509804 -0.2603736 0.3682239), wk = 0.0028986 k( 48) = ( 0.4607843 -0.2660339 0.3762288), wk = 0.0028986 k( 49) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0028986 k( 50) = ( 0.4803922 -0.2773545 0.3922386), wk = 0.0028986 k( 51) = ( 0.4901961 -0.2830148 0.4002434), wk = 0.0028986 k( 52) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028986 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028986 k( 54) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0028986 k( 55) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0028986 k( 56) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0028986 k( 57) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0028986 k( 58) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0028986 k( 59) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0028986 k( 60) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0028986 k( 61) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0028986 k( 62) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0028986 k( 63) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0028986 k( 64) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0028986 k( 65) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0028986 k( 66) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0028986 k( 67) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0028986 k( 68) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0028986 k( 69) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0028986 k( 70) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0028986 k( 71) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0028986 k( 72) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0028986 k( 73) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0028986 k( 74) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0028986 k( 75) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0028986 k( 76) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0028986 k( 77) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0028986 k( 78) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0028986 k( 79) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028986 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028986 k( 81) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028986 k( 82) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028986 k( 83) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028986 k( 84) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028986 k( 85) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028986 k( 86) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028986 k( 87) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028986 k( 88) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028986 k( 89) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028986 k( 90) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028986 k( 91) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028986 k( 92) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028986 k( 93) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028986 k( 94) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028986 k( 95) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028986 k( 96) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028986 k( 97) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028986 k( 98) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028986 k( 99) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028986 k( 100) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028986 k( 101) = ( 0.3681818 0.2125699 0.6012384), wk = 0.0028986 k( 102) = ( 0.3613636 0.2086334 0.5901043), wk = 0.0028986 k( 103) = ( 0.3545454 0.2046969 0.5789703), wk = 0.0028986 k( 104) = ( 0.3477273 0.2007604 0.5678363), wk = 0.0028986 k( 105) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0028986 k( 106) = ( 0.3340909 0.1928875 0.5455682), wk = 0.0028986 k( 107) = ( 0.3272727 0.1889510 0.5344341), wk = 0.0028986 k( 108) = ( 0.3204546 0.1850145 0.5233001), wk = 0.0028986 k( 109) = ( 0.3136364 0.1810780 0.5121660), wk = 0.0028986 k( 110) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0028986 k( 111) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0028986 k( 112) = ( 0.2931818 0.1692686 0.4787639), wk = 0.0028986 k( 113) = ( 0.2863636 0.1653321 0.4676299), wk = 0.0028986 k( 114) = ( 0.2795454 0.1613956 0.4564958), wk = 0.0028986 k( 115) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0028986 k( 116) = ( 0.2659091 0.1535227 0.4342277), wk = 0.0028986 k( 117) = ( 0.2590909 0.1495862 0.4230937), wk = 0.0028986 k( 118) = ( 0.2522727 0.1456497 0.4119596), wk = 0.0028986 k( 119) = ( 0.2454545 0.1417133 0.4008256), wk = 0.0028986 k( 120) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0028986 k( 121) = ( 0.2318182 0.1338403 0.3785575), wk = 0.0028986 k( 122) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0028986 k( 123) = ( 0.2181818 0.1259673 0.3562894), wk = 0.0028986 k( 124) = ( 0.2113636 0.1220309 0.3451554), wk = 0.0028986 k( 125) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0028986 k( 126) = ( 0.1977273 0.1141579 0.3228873), wk = 0.0028986 k( 127) = ( 0.1909091 0.1102214 0.3117532), wk = 0.0028986 k( 128) = ( 0.1840909 0.1062849 0.3006192), wk = 0.0028986 k( 129) = ( 0.1772727 0.1023485 0.2894851), wk = 0.0028986 k( 130) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0028986 k( 131) = ( 0.1636364 0.0944755 0.2672171), wk = 0.0028986 k( 132) = ( 0.1568182 0.0905390 0.2560830), wk = 0.0028986 k( 133) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0028986 k( 134) = ( 0.1431818 0.0826661 0.2338149), wk = 0.0028986 k( 135) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0028986 k( 136) = ( 0.1295455 0.0747931 0.2115468), wk = 0.0028986 k( 137) = ( 0.1227273 0.0708566 0.2004128), wk = 0.0028986 k( 138) = ( 0.1159091 0.0669201 0.1892788), wk = 0.0028986 k( 139) = ( 0.1090909 0.0629837 0.1781447), wk = 0.0028986 k( 140) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0028986 k( 141) = ( 0.0954545 0.0551107 0.1558766), wk = 0.0028986 k( 142) = ( 0.0886364 0.0511742 0.1447426), wk = 0.0028986 k( 143) = ( 0.0818182 0.0472377 0.1336085), wk = 0.0028986 k( 144) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0028986 k( 145) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0028986 k( 146) = ( 0.0613636 0.0354283 0.1002064), wk = 0.0028986 k( 147) = ( 0.0545455 0.0314918 0.0890724), wk = 0.0028986 k( 148) = ( 0.0477273 0.0275554 0.0779383), wk = 0.0028986 k( 149) = ( 0.0409091 0.0236189 0.0668043), wk = 0.0028986 k( 150) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0028986 k( 151) = ( 0.0272727 0.0157459 0.0445362), wk = 0.0028986 k( 152) = ( 0.0204545 0.0118094 0.0334021), wk = 0.0028986 k( 153) = ( 0.0136364 0.0078730 0.0222681), wk = 0.0028986 k( 154) = ( 0.0068182 0.0039365 0.0111340), wk = 0.0028986 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 157) = ( 0.0111111 0.0064150 0.0045361), wk = 0.0028986 k( 158) = ( 0.0222222 0.0128300 0.0090722), wk = 0.0028986 k( 159) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0028986 k( 160) = ( 0.0444444 0.0256600 0.0181444), wk = 0.0028986 k( 161) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0028986 k( 162) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0028986 k( 163) = ( 0.0777778 0.0449050 0.0317526), wk = 0.0028986 k( 164) = ( 0.0888889 0.0513200 0.0362887), wk = 0.0028986 k( 165) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0028986 k( 166) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0028986 k( 167) = ( 0.1222222 0.0705650 0.0498970), wk = 0.0028986 k( 168) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0028986 k( 169) = ( 0.1444444 0.0833950 0.0589692), wk = 0.0028986 k( 170) = ( 0.1555556 0.0898100 0.0635053), wk = 0.0028986 k( 171) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0028986 k( 172) = ( 0.1777778 0.1026400 0.0725775), wk = 0.0028986 k( 173) = ( 0.1888889 0.1090551 0.0771136), wk = 0.0028986 k( 174) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0028986 k( 175) = ( 0.2111111 0.1218851 0.0861857), wk = 0.0028986 k( 176) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0028986 k( 177) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0028986 k( 178) = ( 0.2444444 0.1411301 0.0997940), wk = 0.0028986 k( 179) = ( 0.2555556 0.1475451 0.1043301), wk = 0.0028986 k( 180) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0028986 k( 181) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0028986 k( 182) = ( 0.2888889 0.1667901 0.1179384), wk = 0.0028986 k( 183) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0028986 k( 184) = ( 0.3111111 0.1796201 0.1270106), wk = 0.0028986 k( 185) = ( 0.3222222 0.1860351 0.1315467), wk = 0.0028986 k( 186) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0028986 k( 187) = ( 0.3444444 0.1988651 0.1406189), wk = 0.0028986 k( 188) = ( 0.3555556 0.2052801 0.1451549), wk = 0.0028986 k( 189) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0028986 k( 190) = ( 0.3777778 0.2181101 0.1542271), wk = 0.0028986 k( 191) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0028986 k( 192) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0028986 k( 193) = ( 0.4111111 0.2373551 0.1678354), wk = 0.0028986 k( 194) = ( 0.4222222 0.2437701 0.1723715), wk = 0.0028986 k( 195) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0028986 k( 196) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0028986 k( 197) = ( 0.4555556 0.2630151 0.1859798), wk = 0.0028986 k( 198) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0028986 k( 199) = ( 0.4777778 0.2758451 0.1950520), wk = 0.0028986 k( 200) = ( 0.4888889 0.2822601 0.1995881), wk = 0.0028986 k( 201) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028986 k( 202) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028986 k( 203) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028986 k( 204) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028986 k( 205) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028986 k( 206) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028986 k( 207) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028986 k( 208) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028986 k( 209) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028986 k( 210) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028986 k( 211) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028986 k( 212) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028986 k( 213) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028986 k( 214) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028986 k( 215) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028986 k( 216) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028986 k( 217) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028986 k( 218) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028986 k( 219) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028986 k( 220) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028986 k( 221) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028986 k( 222) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028986 k( 223) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028986 k( 224) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028986 k( 225) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028986 k( 226) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028986 k( 227) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028986 k( 228) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028986 k( 229) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028986 k( 230) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028986 k( 231) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028986 k( 232) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028986 k( 233) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028986 k( 234) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028986 k( 235) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028986 k( 236) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028986 k( 237) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028986 k( 238) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028986 k( 239) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028986 k( 240) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028986 k( 241) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028986 k( 242) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028986 k( 243) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028986 k( 244) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028986 k( 245) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028986 k( 246) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028986 k( 247) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028986 k( 248) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028986 k( 249) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028986 k( 250) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028986 k( 251) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028986 k( 252) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028986 k( 253) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028986 k( 254) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028986 k( 255) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028986 k( 256) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028986 k( 257) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028986 k( 258) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028986 k( 259) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028986 k( 260) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028986 k( 261) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028986 k( 262) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028986 k( 263) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028986 k( 264) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028986 k( 265) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028986 k( 266) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028986 k( 267) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028986 k( 268) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028986 k( 269) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028986 k( 270) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028986 k( 271) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028986 k( 272) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028986 k( 273) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028986 k( 274) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028986 k( 275) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028986 k( 276) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028986 k( 277) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028986 k( 278) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028986 k( 279) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028986 k( 280) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028986 k( 281) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028986 k( 282) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028986 k( 283) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028986 k( 284) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028986 k( 285) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028986 k( 286) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028986 k( 287) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028986 k( 288) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028986 k( 289) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028986 k( 290) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028986 k( 291) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028986 k( 292) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028986 k( 293) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028986 k( 294) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028986 k( 295) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028986 k( 296) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028986 k( 297) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028986 k( 298) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028986 k( 299) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028986 k( 300) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028986 k( 301) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028986 k( 302) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028986 k( 303) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028986 k( 304) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028986 k( 305) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028986 k( 306) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028986 k( 307) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028986 k( 308) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028986 k( 309) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028986 k( 310) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028986 k( 311) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028986 k( 312) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028986 k( 313) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028986 k( 314) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028986 k( 315) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028986 k( 316) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028986 k( 317) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028986 k( 318) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028986 k( 319) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028986 k( 320) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028986 k( 321) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028986 k( 322) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028986 k( 323) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028986 k( 324) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028986 k( 325) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028986 k( 326) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028986 k( 327) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028986 k( 328) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028986 k( 329) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028986 k( 330) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028986 k( 331) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028986 k( 332) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028986 k( 333) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028986 k( 334) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028986 k( 335) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028986 k( 336) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028986 k( 337) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028986 k( 338) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028986 k( 339) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028986 k( 340) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028986 k( 341) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028986 k( 342) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028986 k( 343) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028986 k( 344) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028986 k( 345) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028986 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 2) = ( 0.0098039 -0.0000000 0.0098039), wk = 0.0028986 k( 3) = ( 0.0196078 -0.0000000 0.0196078), wk = 0.0028986 k( 4) = ( 0.0294118 -0.0000000 0.0294118), wk = 0.0028986 k( 5) = ( 0.0392157 -0.0000000 0.0392157), wk = 0.0028986 k( 6) = ( 0.0490196 -0.0000000 0.0490196), wk = 0.0028986 k( 7) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0028986 k( 8) = ( 0.0686275 0.0000000 0.0686275), wk = 0.0028986 k( 9) = ( 0.0784314 -0.0000000 0.0784314), wk = 0.0028986 k( 10) = ( 0.0882353 0.0000000 0.0882353), wk = 0.0028986 k( 11) = ( 0.0980392 -0.0000000 0.0980392), wk = 0.0028986 k( 12) = ( 0.1078431 -0.0000000 0.1078431), wk = 0.0028986 k( 13) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0028986 k( 14) = ( 0.1274510 0.0000000 0.1274510), wk = 0.0028986 k( 15) = ( 0.1372549 0.0000000 0.1372549), wk = 0.0028986 k( 16) = ( 0.1470588 0.0000000 0.1470588), wk = 0.0028986 k( 17) = ( 0.1568627 -0.0000000 0.1568627), wk = 0.0028986 k( 18) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0028986 k( 19) = ( 0.1764706 0.0000000 0.1764706), wk = 0.0028986 k( 20) = ( 0.1862745 -0.0000000 0.1862745), wk = 0.0028986 k( 21) = ( 0.1960784 -0.0000000 0.1960784), wk = 0.0028986 k( 22) = ( 0.2058823 -0.0000000 0.2058823), wk = 0.0028986 k( 23) = ( 0.2156863 -0.0000000 0.2156863), wk = 0.0028986 k( 24) = ( 0.2254902 -0.0000000 0.2254902), wk = 0.0028986 k( 25) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0028986 k( 26) = ( 0.2450980 -0.0000000 0.2450980), wk = 0.0028986 k( 27) = ( 0.2549020 0.0000000 0.2549020), wk = 0.0028986 k( 28) = ( 0.2647059 0.0000000 0.2647059), wk = 0.0028986 k( 29) = ( 0.2745098 0.0000000 0.2745098), wk = 0.0028986 k( 30) = ( 0.2843137 0.0000000 0.2843137), wk = 0.0028986 k( 31) = ( 0.2941177 0.0000000 0.2941177), wk = 0.0028986 k( 32) = ( 0.3039216 0.0000000 0.3039216), wk = 0.0028986 k( 33) = ( 0.3137255 0.0000000 0.3137255), wk = 0.0028986 k( 34) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0028986 k( 35) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0028986 k( 36) = ( 0.3431373 -0.0000000 0.3431372), wk = 0.0028986 k( 37) = ( 0.3529412 0.0000000 0.3529412), wk = 0.0028986 k( 38) = ( 0.3627451 -0.0000000 0.3627451), wk = 0.0028986 k( 39) = ( 0.3725490 -0.0000000 0.3725490), wk = 0.0028986 k( 40) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0028986 k( 41) = ( 0.3921569 -0.0000000 0.3921569), wk = 0.0028986 k( 42) = ( 0.4019608 -0.0000000 0.4019608), wk = 0.0028986 k( 43) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0028986 k( 44) = ( 0.4215686 -0.0000000 0.4215686), wk = 0.0028986 k( 45) = ( 0.4313726 -0.0000000 0.4313725), wk = 0.0028986 k( 46) = ( 0.4411765 -0.0000000 0.4411765), wk = 0.0028986 k( 47) = ( 0.4509804 -0.0000000 0.4509804), wk = 0.0028986 k( 48) = ( 0.4607843 -0.0000000 0.4607843), wk = 0.0028986 k( 49) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0028986 k( 50) = ( 0.4803922 -0.0000000 0.4803922), wk = 0.0028986 k( 51) = ( 0.4901961 -0.0000000 0.4901961), wk = 0.0028986 k( 52) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028986 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028986 k( 54) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0028986 k( 55) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0028986 k( 56) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0028986 k( 57) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0028986 k( 58) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0028986 k( 59) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0028986 k( 60) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0028986 k( 61) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0028986 k( 62) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0028986 k( 63) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0028986 k( 64) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0028986 k( 65) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0028986 k( 66) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0028986 k( 67) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0028986 k( 68) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0028986 k( 69) = ( 0.5000000 0.1538461 0.6538461), wk = 0.0028986 k( 70) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0028986 k( 71) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0028986 k( 72) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0028986 k( 73) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0028986 k( 74) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0028986 k( 75) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0028986 k( 76) = ( 0.5000000 0.2211538 0.7211538), wk = 0.0028986 k( 77) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028986 k( 78) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028986 k( 79) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028986 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028986 k( 81) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028986 k( 82) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028986 k( 83) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028986 k( 84) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028986 k( 85) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028986 k( 86) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028986 k( 87) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028986 k( 88) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028986 k( 89) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028986 k( 90) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028986 k( 91) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028986 k( 92) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028986 k( 93) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028986 k( 94) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028986 k( 95) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028986 k( 96) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028986 k( 97) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028986 k( 98) = ( 0.3815789 0.3684210 0.7500000), wk = 0.0028986 k( 99) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028986 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028986 k( 101) = ( 0.3681818 0.3681818 0.7363636), wk = 0.0028986 k( 102) = ( 0.3613636 0.3613636 0.7227273), wk = 0.0028986 k( 103) = ( 0.3545454 0.3545454 0.7090909), wk = 0.0028986 k( 104) = ( 0.3477273 0.3477273 0.6954545), wk = 0.0028986 k( 105) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0028986 k( 106) = ( 0.3340909 0.3340909 0.6681818), wk = 0.0028986 k( 107) = ( 0.3272727 0.3272727 0.6545454), wk = 0.0028986 k( 108) = ( 0.3204546 0.3204546 0.6409091), wk = 0.0028986 k( 109) = ( 0.3136364 0.3136364 0.6272727), wk = 0.0028986 k( 110) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0028986 k( 111) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0028986 k( 112) = ( 0.2931818 0.2931818 0.5863636), wk = 0.0028986 k( 113) = ( 0.2863636 0.2863636 0.5727273), wk = 0.0028986 k( 114) = ( 0.2795454 0.2795454 0.5590909), wk = 0.0028986 k( 115) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0028986 k( 116) = ( 0.2659091 0.2659091 0.5318182), wk = 0.0028986 k( 117) = ( 0.2590909 0.2590909 0.5181818), wk = 0.0028986 k( 118) = ( 0.2522727 0.2522727 0.5045454), wk = 0.0028986 k( 119) = ( 0.2454545 0.2454545 0.4909091), wk = 0.0028986 k( 120) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0028986 k( 121) = ( 0.2318182 0.2318182 0.4636364), wk = 0.0028986 k( 122) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0028986 k( 123) = ( 0.2181818 0.2181818 0.4363636), wk = 0.0028986 k( 124) = ( 0.2113636 0.2113636 0.4227273), wk = 0.0028986 k( 125) = ( 0.2045454 0.2045454 0.4090909), wk = 0.0028986 k( 126) = ( 0.1977273 0.1977273 0.3954545), wk = 0.0028986 k( 127) = ( 0.1909091 0.1909091 0.3818182), wk = 0.0028986 k( 128) = ( 0.1840909 0.1840909 0.3681818), wk = 0.0028986 k( 129) = ( 0.1772727 0.1772727 0.3545454), wk = 0.0028986 k( 130) = ( 0.1704546 0.1704545 0.3409091), wk = 0.0028986 k( 131) = ( 0.1636364 0.1636364 0.3272727), wk = 0.0028986 k( 132) = ( 0.1568182 0.1568182 0.3136364), wk = 0.0028986 k( 133) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0028986 k( 134) = ( 0.1431818 0.1431818 0.2863636), wk = 0.0028986 k( 135) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0028986 k( 136) = ( 0.1295455 0.1295455 0.2590909), wk = 0.0028986 k( 137) = ( 0.1227273 0.1227273 0.2454545), wk = 0.0028986 k( 138) = ( 0.1159091 0.1159091 0.2318182), wk = 0.0028986 k( 139) = ( 0.1090909 0.1090909 0.2181818), wk = 0.0028986 k( 140) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0028986 k( 141) = ( 0.0954545 0.0954545 0.1909091), wk = 0.0028986 k( 142) = ( 0.0886364 0.0886364 0.1772727), wk = 0.0028986 k( 143) = ( 0.0818182 0.0818182 0.1636364), wk = 0.0028986 k( 144) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0028986 k( 145) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0028986 k( 146) = ( 0.0613636 0.0613636 0.1227273), wk = 0.0028986 k( 147) = ( 0.0545455 0.0545454 0.1090909), wk = 0.0028986 k( 148) = ( 0.0477273 0.0477273 0.0954545), wk = 0.0028986 k( 149) = ( 0.0409091 0.0409091 0.0818182), wk = 0.0028986 k( 150) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0028986 k( 151) = ( 0.0272727 0.0272727 0.0545454), wk = 0.0028986 k( 152) = ( 0.0204545 0.0204545 0.0409091), wk = 0.0028986 k( 153) = ( 0.0136364 0.0136364 0.0272727), wk = 0.0028986 k( 154) = ( 0.0068182 0.0068182 0.0136364), wk = 0.0028986 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028986 k( 157) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0028986 k( 158) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0028986 k( 159) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0028986 k( 160) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0028986 k( 161) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028986 k( 162) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0028986 k( 163) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0028986 k( 164) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0028986 k( 165) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028986 k( 166) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028986 k( 167) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0028986 k( 168) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0028986 k( 169) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0028986 k( 170) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0028986 k( 171) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028986 k( 172) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0028986 k( 173) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0028986 k( 174) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028986 k( 175) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0028986 k( 176) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028986 k( 177) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0028986 k( 178) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0028986 k( 179) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0028986 k( 180) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0028986 k( 181) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028986 k( 182) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0028986 k( 183) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028986 k( 184) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0028986 k( 185) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0028986 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028986 k( 187) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0028986 k( 188) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0028986 k( 189) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0028986 k( 190) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0028986 k( 191) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028986 k( 192) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028986 k( 193) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0028986 k( 194) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0028986 k( 195) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0028986 k( 196) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028986 k( 197) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0028986 k( 198) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0028986 k( 199) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0028986 k( 200) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0028986 k( 201) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028986 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028986 k( 203) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028986 k( 204) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028986 k( 205) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0028986 k( 206) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028986 k( 207) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028986 k( 208) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028986 k( 209) = ( 0.5273438 0.4453125 0.5273437), wk = 0.0028986 k( 210) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028986 k( 211) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028986 k( 212) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028986 k( 213) = ( 0.5429688 0.4140625 0.5429687), wk = 0.0028986 k( 214) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028986 k( 215) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028986 k( 216) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028986 k( 217) = ( 0.5585938 0.3828125 0.5585937), wk = 0.0028986 k( 218) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028986 k( 219) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028986 k( 220) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028986 k( 221) = ( 0.5742188 0.3515625 0.5742187), wk = 0.0028986 k( 222) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028986 k( 223) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028986 k( 224) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028986 k( 225) = ( 0.5898438 0.3203125 0.5898437), wk = 0.0028986 k( 226) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028986 k( 227) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028986 k( 228) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028986 k( 229) = ( 0.6054688 0.2890625 0.6054687), wk = 0.0028986 k( 230) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028986 k( 231) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028986 k( 232) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028986 k( 233) = ( 0.6210938 0.2578125 0.6210937), wk = 0.0028986 k( 234) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028986 k( 235) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028986 k( 236) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028986 k( 237) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028986 k( 238) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028986 k( 239) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028986 k( 240) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028986 k( 241) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028986 k( 242) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028986 k( 243) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028986 k( 244) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028986 k( 245) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028986 k( 246) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028986 k( 247) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028986 k( 248) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028986 k( 249) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028986 k( 250) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028986 k( 251) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028986 k( 252) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028986 k( 253) = ( 0.5065789 0.2500000 0.7434210), wk = 0.0028986 k( 254) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028986 k( 255) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028986 k( 256) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028986 k( 257) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028986 k( 258) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028986 k( 259) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028986 k( 260) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028986 k( 261) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028986 k( 262) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028986 k( 263) = ( 0.5000000 0.3040540 0.6959459), wk = 0.0028986 k( 264) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028986 k( 265) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028986 k( 266) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028986 k( 267) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028986 k( 268) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028986 k( 269) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028986 k( 270) = ( 0.5000000 0.3513513 0.6486486), wk = 0.0028986 k( 271) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028986 k( 272) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028986 k( 273) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028986 k( 274) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028986 k( 275) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028986 k( 276) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028986 k( 277) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028986 k( 278) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028986 k( 279) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028986 k( 280) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028986 k( 281) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028986 k( 282) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028986 k( 283) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028986 k( 284) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028986 k( 285) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028986 k( 286) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028986 k( 287) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028986 k( 288) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028986 k( 289) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028986 k( 290) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028986 k( 291) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028986 k( 292) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028986 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028986 k( 294) = ( 0.4960938 0.4960937 0.5078125), wk = 0.0028986 k( 295) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028986 k( 296) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028986 k( 297) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028986 k( 298) = ( 0.4804688 0.4804687 0.5390625), wk = 0.0028986 k( 299) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028986 k( 300) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028986 k( 301) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028986 k( 302) = ( 0.4648438 0.4648437 0.5703125), wk = 0.0028986 k( 303) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028986 k( 304) = ( 0.4570312 0.4570312 0.5859375), wk = 0.0028986 k( 305) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028986 k( 306) = ( 0.4492188 0.4492187 0.6015625), wk = 0.0028986 k( 307) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028986 k( 308) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0028986 k( 309) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028986 k( 310) = ( 0.4335938 0.4335937 0.6328125), wk = 0.0028986 k( 311) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028986 k( 312) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028986 k( 313) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028986 k( 314) = ( 0.4179688 0.4179687 0.6640625), wk = 0.0028986 k( 315) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028986 k( 316) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0028986 k( 317) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028986 k( 318) = ( 0.4023438 0.4023437 0.6953125), wk = 0.0028986 k( 319) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028986 k( 320) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0028986 k( 321) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028986 k( 322) = ( 0.3867188 0.3867187 0.7265625), wk = 0.0028986 k( 323) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028986 k( 324) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0028986 k( 325) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028986 k( 326) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028986 k( 327) = ( 0.6184211 0.2368421 0.6184210), wk = 0.0028986 k( 328) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028986 k( 329) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028986 k( 330) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028986 k( 331) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028986 k( 332) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028986 k( 333) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028986 k( 334) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028986 k( 335) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028986 k( 336) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028986 k( 337) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028986 k( 338) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028986 k( 339) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028986 k( 340) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028986 k( 341) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028986 k( 342) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028986 k( 343) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028986 k( 344) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028986 k( 345) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028986 Dense grid: 60039 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 38157 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 276, 44) NL pseudopotentials 0.21 Mb ( 138, 102) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1669) G-vector shells 0.00 Mb ( 438) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.74 Mb ( 276, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) The potential is recalculated from file : ./TiSnPt.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 8 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.4 secs Computing kpt #: 2 total cpu time spent up to now is 6.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 9.3 secs Computing kpt #: 7 total cpu time spent up to now is 10.2 secs Computing kpt #: 8 total cpu time spent up to now is 11.0 secs Computing kpt #: 9 total cpu time spent up to now is 11.9 secs Computing kpt #: 10 total cpu time spent up to now is 12.8 secs Computing kpt #: 11 total cpu time spent up to now is 13.7 secs Computing kpt #: 12 total cpu time spent up to now is 14.6 secs Computing kpt #: 13 total cpu time spent up to now is 15.6 secs Computing kpt #: 14 total cpu time spent up to now is 16.4 secs Computing kpt #: 15 total cpu time spent up to now is 17.3 secs Computing kpt #: 16 total cpu time spent up to now is 18.2 secs Computing kpt #: 17 total cpu time spent up to now is 19.0 secs Computing kpt #: 18 total cpu time spent up to now is 19.8 secs Computing kpt #: 19 total cpu time spent up to now is 20.5 secs Computing kpt #: 20 total cpu time spent up to now is 21.3 secs Computing kpt #: 21 total cpu time spent up to now is 22.0 secs Computing kpt #: 22 total cpu time spent up to now is 22.8 secs Computing kpt #: 23 total cpu time spent up to now is 23.7 secs Computing kpt #: 24 total cpu time spent up to now is 24.5 secs Computing kpt #: 25 total cpu time spent up to now is 25.2 secs Computing kpt #: 26 total cpu time spent up to now is 26.0 secs Computing kpt #: 27 total cpu time spent up to now is 26.8 secs Computing kpt #: 28 total cpu time spent up to now is 27.5 secs Computing kpt #: 29 total cpu time spent up to now is 28.3 secs Computing kpt #: 30 total cpu time spent up to now is 29.1 secs Computing kpt #: 31 total cpu time spent up to now is 29.9 secs Computing kpt #: 32 total cpu time spent up to now is 30.6 secs Computing kpt #: 33 total cpu time spent up to now is 31.5 secs Computing kpt #: 34 total cpu time spent up to now is 32.3 secs Computing kpt #: 35 total cpu time spent up to now is 33.2 secs Computing kpt #: 36 total cpu time spent up to now is 34.1 secs Computing kpt #: 37 total cpu time spent up to now is 35.0 secs Computing kpt #: 38 total cpu time spent up to now is 35.9 secs Computing kpt #: 39 total cpu time spent up to now is 36.8 secs Computing kpt #: 40 total cpu time spent up to now is 37.9 secs Computing kpt #: 41 total cpu time spent up to now is 38.8 secs Computing kpt #: 42 total cpu time spent up to now is 39.7 secs Computing kpt #: 43 total cpu time spent up to now is 40.6 secs Computing kpt #: 44 total cpu time spent up to now is 41.5 secs Computing kpt #: 45 total cpu time spent up to now is 42.4 secs Computing kpt #: 46 total cpu time spent up to now is 43.2 secs Computing kpt #: 47 total cpu time spent up to now is 44.1 secs Computing kpt #: 48 total cpu time spent up to now is 44.9 secs Computing kpt #: 49 total cpu time spent up to now is 45.8 secs Computing kpt #: 50 total cpu time spent up to now is 46.7 secs Computing kpt #: 51 total cpu time spent up to now is 47.5 secs Computing kpt #: 52 total cpu time spent up to now is 48.4 secs Computing kpt #: 53 total cpu time spent up to now is 49.3 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spent up to now is 63.0 secs Computing kpt #: 70 total cpu time spent up to now is 63.9 secs Computing kpt #: 71 total cpu time spent up to now is 64.6 secs Computing kpt #: 72 total cpu time spent up to now is 65.4 secs Computing kpt #: 73 total cpu time spent up to now is 66.2 secs Computing kpt #: 74 total cpu time spent up to now is 67.0 secs Computing kpt #: 75 total cpu time spent up to now is 67.7 secs Computing kpt #: 76 total cpu time spent up to now is 68.5 secs Computing kpt #: 77 total cpu time spent up to now is 69.2 secs Computing kpt #: 78 total cpu time spent up to now is 70.0 secs Computing kpt #: 79 total cpu time spent up to now is 70.8 secs Computing kpt #: 80 total cpu time spent up to now is 71.5 secs Computing kpt #: 81 total cpu time spent up to now is 72.3 secs Computing kpt #: 82 total cpu time spent up to now is 73.0 secs Computing kpt #: 83 total cpu time spent up to now is 73.8 secs Computing kpt #: 84 total cpu time spent up to now is 74.6 secs Computing kpt #: 85 total cpu time spent up to now is 75.4 secs Computing kpt #: 86 total cpu time spent up to now is 76.2 secs Computing kpt #: 87 total cpu time spent up to now is 77.0 secs Computing kpt #: 88 total cpu time spent up to now is 77.8 secs Computing kpt #: 89 total cpu time spent up to now is 78.8 secs Computing kpt #: 90 total cpu time spent up to now is 79.6 secs Computing kpt #: 91 total cpu time spent up to now is 80.5 secs Computing kpt #: 92 total cpu time spent up to now is 81.3 secs Computing kpt #: 93 total cpu time spent up to now is 82.2 secs Computing kpt #: 94 total cpu time spent up to now is 83.1 secs Computing kpt #: 95 total cpu time spent up to now is 84.0 secs Computing kpt #: 96 total cpu time spent up to now is 84.8 secs Computing kpt #: 97 total cpu time spent up to now is 85.6 secs Computing kpt #: 98 total cpu time spent up to now is 86.4 secs Computing kpt #: 99 total cpu time spent up to now is 87.2 secs Computing kpt #: 100 total cpu time spent up to now is 88.0 secs Computing kpt #: 101 total cpu time spent up to now is 88.9 secs Computing kpt #: 102 total cpu time spent up to now is 89.7 secs Computing kpt #: 103 total cpu time spent up to now is 90.5 secs Computing kpt #: 104 total cpu time spent up to now is 91.4 secs Computing kpt #: 105 total cpu time spent up to now is 92.2 secs Computing kpt #: 106 total cpu time spent up to now is 93.0 secs Computing kpt #: 107 total cpu time spent up to now is 93.8 secs Computing kpt #: 108 total cpu time spent up to now is 94.6 secs Computing kpt #: 109 total cpu time spent up to now is 95.3 secs Computing kpt #: 110 total cpu time spent up to now is 96.1 secs Computing kpt #: 111 total cpu time spent up to now is 96.9 secs Computing kpt #: 112 total cpu time spent up to now is 97.7 secs Computing kpt #: 113 total cpu time spent up to now is 98.5 secs Computing kpt #: 114 total cpu time spent up to now is 99.2 secs Computing kpt #: 115 total cpu time spent up to now is 99.9 secs Computing kpt #: 116 total cpu time spent up to now is 100.7 secs Computing kpt #: 117 total cpu time spent up to now is 101.5 secs Computing kpt #: 118 total cpu time spent up to now is 102.3 secs Computing kpt #: 119 total cpu time spent up to now is 103.1 secs Computing kpt #: 120 total cpu time spent up to now is 103.8 secs Computing kpt #: 121 total cpu time spent up to now is 104.4 secs Computing kpt #: 122 total cpu time spent up to now is 105.0 secs Computing kpt #: 123 total cpu time spent up to now is 105.6 secs Computing kpt #: 124 total cpu time spent up to now is 106.2 secs Computing kpt #: 125 total cpu time spent up to now is 106.7 secs Computing kpt #: 126 total cpu time spent up to now is 107.3 secs Computing kpt #: 127 total cpu time spent up to now is 107.9 secs Computing kpt #: 128 total cpu time spent up to now is 108.5 secs Computing kpt #: 129 total cpu time spent up to now is 109.1 secs Computing kpt #: 130 total cpu time spent up to now is 109.6 secs Computing kpt #: 131 total cpu time spent up to now is 110.2 secs Computing kpt #: 132 total cpu time spent up to now is 110.8 secs Computing kpt #: 133 total cpu time spent up to now is 111.3 secs Computing kpt #: 134 total cpu time spent up to now is 111.9 secs Computing kpt #: 135 total cpu time spent up to now is 112.6 secs Computing kpt #: 136 total cpu time spent up to now is 113.1 secs Computing kpt #: 137 total cpu time spent up to now is 113.8 secs Computing kpt #: 138 total cpu time spent up to now is 114.6 secs Computing kpt #: 139 total cpu time spent up to now is 115.3 secs Computing kpt #: 140 total cpu time spent up to now is 116.0 secs Computing kpt #: 141 total cpu time spent up to now is 116.8 secs Computing kpt #: 142 total cpu time spent up to now is 117.6 secs Computing kpt #: 143 total cpu time spent up to now is 118.4 secs Computing kpt #: 144 total cpu time spent up to now is 119.3 secs Computing kpt #: 145 total cpu time spent up to now is 120.2 secs Computing kpt #: 146 total cpu time spent up to now is 121.0 secs Computing kpt #: 147 total cpu time spent up to now is 121.8 secs Computing kpt #: 148 total cpu time spent up to now is 122.7 secs Computing kpt #: 149 total cpu time spent up to now is 123.5 secs Computing kpt #: 150 total cpu time spent up to now is 124.3 secs Computing kpt #: 151 total cpu time spent up to now is 125.1 secs Computing kpt #: 152 total cpu time spent up to now is 125.9 secs Computing kpt #: 153 total cpu time spent up to now is 126.5 secs Computing kpt #: 154 total cpu time spent up to now is 127.2 secs Computing kpt #: 155 total cpu time spent up to now is 127.8 secs Computing kpt #: 156 total cpu time spent up to now is 128.5 secs Computing kpt #: 157 total cpu time spent up to now is 129.2 secs Computing kpt #: 158 total cpu time spent up to now is 129.9 secs Computing kpt #: 159 total cpu time spent up to now is 130.5 secs Computing kpt #: 160 total cpu time spent up to now is 131.3 secs Computing kpt #: 161 total cpu time spent up to now is 132.0 secs Computing kpt #: 162 total cpu time spent up to now is 132.7 secs Computing kpt #: 163 total cpu time spent up to now is 133.4 secs Computing kpt #: 164 total cpu time spent up to now is 134.1 secs Computing kpt #: 165 total cpu time spent up to now is 134.9 secs Computing kpt #: 166 total cpu time spent up to now is 135.6 secs Computing kpt #: 167 total cpu time spent up to now is 136.4 secs Computing kpt #: 168 total cpu time spent up to now is 137.1 secs Computing kpt #: 169 total cpu time spent up to now is 137.9 secs Computing kpt #: 170 total cpu time spent up to now is 138.7 secs Computing kpt #: 171 total cpu time spent up to now is 139.5 secs Computing kpt #: 172 total cpu time spent up to now is 140.3 secs Computing kpt #: 173 total cpu time spent up to now is 141.2 secs Computing kpt #: 174 total cpu time spent up to now is 141.9 secs Computing kpt #: 175 total cpu time spent up to now is 142.7 secs Computing kpt #: 176 total cpu time spent up to now is 143.6 secs Computing kpt #: 177 total cpu time spent up to now is 144.4 secs Computing kpt #: 178 total cpu time spent up to now is 145.3 secs Computing kpt #: 179 total cpu time spent up to now is 146.1 secs Computing kpt #: 180 total cpu time spent up to now is 147.0 secs Computing kpt #: 181 total cpu time spent up to now is 147.7 secs Computing kpt #: 182 total cpu time spent up to now is 148.4 secs Computing kpt #: 183 total cpu time spent up to now is 149.2 secs Computing kpt #: 184 total cpu time spent up to now is 150.0 secs Computing kpt #: 185 total cpu time spent up to now is 150.7 secs Computing kpt #: 186 total cpu time spent up to now is 151.5 secs Computing kpt #: 187 total cpu time spent up to now is 152.2 secs Computing kpt #: 188 total cpu time spent up to now is 152.7 secs Computing kpt #: 189 total cpu time spent up to now is 153.4 secs Computing kpt #: 190 total cpu time spent up to now is 154.0 secs Computing kpt #: 191 total cpu time spent up to now is 154.6 secs Computing kpt #: 192 total cpu time spent up to now is 155.3 secs Computing kpt #: 193 total cpu time spent up to now is 155.9 secs Computing kpt #: 194 total cpu time spent up to now is 156.5 secs Computing kpt #: 195 total cpu time spent up to now is 157.2 secs Computing kpt #: 196 total cpu time spent up to now is 157.8 secs Computing kpt #: 197 total cpu time spent up to now is 158.4 secs Computing kpt #: 198 total cpu time spent up to now is 159.0 secs Computing kpt #: 199 total cpu time spent up to now is 159.6 secs Computing kpt #: 200 total cpu time spent up to now is 160.3 secs Computing kpt #: 201 total cpu time spent up to now is 160.9 secs Computing kpt #: 202 total cpu time spent up to now is 161.6 secs Computing kpt #: 203 total cpu time spent up to now is 162.2 secs Computing kpt #: 204 total cpu time spent up to now is 162.9 secs Computing kpt #: 205 total cpu time spent up to now is 163.6 secs Computing kpt #: 206 total cpu time spent up to now is 164.4 secs Computing kpt #: 207 total cpu time spent up to now is 165.1 secs Computing kpt #: 208 total cpu time spent up to now is 165.9 secs Computing kpt #: 209 total cpu time spent up to now is 166.7 secs Computing kpt #: 210 total cpu time spent up to now is 167.5 secs Computing kpt #: 211 total cpu time spent up to now is 168.3 secs Computing kpt #: 212 total cpu time spent up to now is 169.0 secs Computing kpt #: 213 total cpu time spent up to now is 169.7 secs Computing kpt #: 214 total cpu time spent up to now is 170.5 secs Computing kpt #: 215 total cpu time spent up to now is 171.3 secs Computing kpt #: 216 total cpu time spent up to now is 172.0 secs Computing kpt #: 217 total cpu time spent up to now is 172.8 secs Computing kpt #: 218 total cpu time spent up to now is 173.6 secs Computing kpt #: 219 total cpu time spent up to now is 174.3 secs Computing kpt #: 220 total cpu time spent up to now is 175.1 secs Computing kpt #: 221 total cpu time spent up to now is 176.0 secs Computing kpt #: 222 total cpu time spent up to now is 176.8 secs Computing kpt #: 223 total cpu time spent up to now is 177.6 secs Computing kpt #: 224 total cpu time spent up to now is 178.4 secs Computing kpt #: 225 total cpu time spent up to now is 179.2 secs Computing kpt #: 226 total cpu time spent up to now is 180.1 secs Computing kpt #: 227 total cpu time spent up to now is 181.0 secs Computing kpt #: 228 total cpu time spent up to now is 181.8 secs Computing kpt #: 229 total cpu time spent up to now is 182.6 secs Computing kpt #: 230 total cpu time spent up to now is 183.5 secs Computing kpt #: 231 total cpu time spent up to now is 184.3 secs Computing kpt #: 232 total cpu time spent up to now is 185.2 secs Computing kpt #: 233 total cpu time spent up to now is 186.0 secs Computing kpt #: 234 total cpu time spent up to now is 186.8 secs Computing kpt #: 235 total cpu time spent up to now is 187.7 secs Computing kpt #: 236 total cpu time spent up to now is 188.5 secs Computing kpt #: 237 total cpu time spent up to now is 189.4 secs Computing kpt #: 238 total cpu time spent up to now is 190.2 secs Computing kpt #: 239 total cpu time spent up to now is 191.0 secs Computing kpt #: 240 total cpu time spent up to now is 191.8 secs Computing kpt #: 241 total cpu time spent up to now is 192.7 secs Computing kpt #: 242 total cpu time spent up to now is 193.5 secs Computing kpt #: 243 total cpu time spent up to now is 194.5 secs Computing kpt #: 244 total cpu time spent up to now is 195.3 secs Computing kpt #: 245 total cpu time spent up to now is 196.2 secs Computing kpt #: 246 total cpu time spent up to now is 197.0 secs Computing kpt #: 247 total cpu time spent up to now is 197.8 secs Computing kpt #: 248 total cpu time spent up to now is 198.6 secs Computing kpt #: 249 total cpu time spent up to now is 199.5 secs Computing kpt #: 250 total cpu time spent up to now is 200.3 secs Computing kpt #: 251 total cpu time spent up to now is 201.0 secs Computing kpt #: 252 total cpu time spent up to now is 201.8 secs Computing kpt #: 253 total cpu time spent up to now is 202.5 secs Computing kpt #: 254 total cpu time spent up to now is 203.3 secs Computing kpt #: 255 total cpu time spent up to now is 204.1 secs Computing kpt #: 256 total cpu time spent up to now is 204.8 secs Computing kpt #: 257 total cpu time spent up to now is 205.6 secs Computing kpt #: 258 total cpu time spent up to now is 206.4 secs Computing kpt #: 259 total cpu time spent up to now is 207.2 secs Computing kpt #: 260 total cpu time spent up to now is 208.1 secs Computing kpt #: 261 total cpu time spent up to now is 209.0 secs Computing kpt #: 262 total cpu time spent up to now is 209.9 secs Computing kpt #: 263 total cpu time spent up to now is 210.7 secs Computing kpt #: 264 total cpu time spent up to now is 211.6 secs Computing kpt #: 265 total cpu time spent up to now is 212.4 secs Computing kpt #: 266 total cpu time spent up to now is 213.3 secs Computing kpt #: 267 total cpu time spent up to now is 214.3 secs Computing kpt #: 268 total cpu time spent up to now is 215.2 secs Computing kpt #: 269 total cpu time spent up to now is 216.0 secs Computing kpt #: 270 total cpu time spent up to now is 216.8 secs Computing kpt #: 271 total cpu time spent up to now is 217.6 secs Computing kpt #: 272 total cpu time spent up to now is 218.4 secs Computing kpt #: 273 total cpu time spent up to now is 219.3 secs Computing kpt #: 274 total cpu time spent up to now is 220.1 secs Computing kpt #: 275 total cpu time spent up to now is 220.9 secs Computing kpt #: 276 total cpu time spent up to now is 221.7 secs Computing kpt #: 277 total cpu time spent up to now is 222.5 secs Computing kpt #: 278 total cpu time spent up to now is 223.3 secs Computing kpt #: 279 total cpu time spent up to now is 224.1 secs Computing kpt #: 280 total cpu time spent up to now is 224.9 secs Computing kpt #: 281 total cpu time spent up to now is 225.7 secs Computing kpt #: 282 total cpu time spent up to now is 226.5 secs Computing kpt #: 283 total cpu time spent up to now is 227.3 secs Computing kpt #: 284 total cpu time spent up to now is 228.0 secs Computing kpt #: 285 total cpu time spent up to now is 228.8 secs Computing kpt #: 286 total cpu time spent up to now is 229.5 secs Computing kpt #: 287 total cpu time spent up to now is 230.3 secs Computing kpt #: 288 total cpu time spent up to now is 231.0 secs Computing kpt #: 289 total cpu time spent up to now is 231.8 secs Computing kpt #: 290 total cpu time spent up to now is 232.5 secs Computing kpt #: 291 total cpu time spent up to now is 233.2 secs Computing kpt #: 292 total cpu time spent up to now is 233.8 secs Computing kpt #: 293 total cpu time spent up to now is 234.4 secs Computing kpt #: 294 total cpu time spent up to now is 235.1 secs Computing kpt #: 295 total cpu time spent up to now is 235.8 secs Computing kpt #: 296 total cpu time spent up to now is 236.5 secs Computing kpt #: 297 total cpu time spent up to now is 237.3 secs Computing kpt #: 298 total cpu time spent up to now is 238.0 secs Computing kpt #: 299 total cpu time spent up to now is 238.7 secs Computing kpt #: 300 total cpu time spent up to now is 239.5 secs Computing kpt #: 301 total cpu time spent up to now is 240.3 secs Computing kpt #: 302 total cpu time spent up to now is 241.0 secs Computing kpt #: 303 total cpu time spent up to now is 241.8 secs Computing kpt #: 304 total cpu time spent up to now is 242.5 secs Computing kpt #: 305 total cpu time spent up to now is 243.3 secs Computing kpt #: 306 total cpu time spent up to now is 244.1 secs Computing kpt #: 307 total cpu time spent up to now is 244.9 secs Computing kpt #: 308 total cpu time spent up to now is 245.8 secs Computing kpt #: 309 total cpu time spent up to now is 246.7 secs Computing kpt #: 310 total cpu time spent up to now is 247.6 secs Computing kpt #: 311 total cpu time spent up to now is 248.4 secs Computing kpt #: 312 total cpu time spent up to now is 249.2 secs Computing kpt #: 313 total cpu time spent up to now is 250.0 secs Computing kpt #: 314 total cpu time spent up to now is 250.8 secs Computing kpt #: 315 total cpu time spent up to now is 251.7 secs Computing kpt #: 316 total cpu time spent up to now is 252.4 secs Computing kpt #: 317 total cpu time spent up to now is 253.2 secs Computing kpt #: 318 total cpu time spent up to now is 254.1 secs Computing kpt #: 319 total cpu time spent up to now is 255.0 secs Computing kpt #: 320 total cpu time spent up to now is 255.8 secs Computing kpt #: 321 total cpu time spent up to now is 256.6 secs Computing kpt #: 322 total cpu time spent up to now is 257.5 secs Computing kpt #: 323 total cpu time spent up to now is 258.3 secs Computing kpt #: 324 total cpu time spent up to now is 259.1 secs Computing kpt #: 325 total cpu time spent up to now is 259.9 secs Computing kpt #: 326 total cpu time spent up to now is 260.8 secs Computing kpt #: 327 total cpu time spent up to now is 261.6 secs Computing kpt #: 328 total cpu time spent up to now is 262.5 secs Computing kpt #: 329 total cpu time spent up to now is 263.3 secs Computing kpt #: 330 total cpu time spent up to now is 264.1 secs Computing kpt #: 331 total cpu time spent up to now is 265.0 secs Computing kpt #: 332 total cpu time spent up to now is 265.9 secs Computing kpt #: 333 total cpu time spent up to now is 266.7 secs Computing kpt #: 334 total cpu time spent up to now is 267.6 secs Computing kpt #: 335 total cpu time spent up to now is 268.5 secs Computing kpt #: 336 total cpu time spent up to now is 269.4 secs Computing kpt #: 337 total cpu time spent up to now is 270.2 secs Computing kpt #: 338 total cpu time spent up to now is 271.0 secs Computing kpt #: 339 total cpu time spent up to now is 271.9 secs Computing kpt #: 340 total cpu time spent up to now is 272.8 secs Computing kpt #: 341 total cpu time spent up to now is 273.7 secs Computing kpt #: 342 total cpu time spent up to now is 274.5 secs Computing kpt #: 343 total cpu time spent up to now is 275.4 secs Computing kpt #: 344 total cpu time spent up to now is 276.3 secs Computing kpt #: 345 total cpu time spent up to now is 277.1 secs ethr = 2.78E-08, avg # of iterations = 34.2 total cpu time spent up to now is 277.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -43.6842 -43.6842 -20.3647 -20.3647 -19.7085 -19.7085 -19.7085 -19.7085 -7.9256 -7.9256 -7.9256 -7.9256 -6.9078 -6.9078 -6.8965 -6.8965 -6.8965 -6.8965 3.4480 3.4480 8.5623 8.5623 8.5623 8.5623 9.2317 9.2317 9.9578 9.9578 9.9578 9.9578 13.1474 13.1474 13.5840 13.5840 13.5840 13.5840 15.0750 15.0750 15.0750 15.0750 17.2729 17.2729 17.6936 17.6936 k = 0.0098-0.0057 0.0080 ( 4713 PWs) bands (ev): -43.6842 -43.6842 -20.3647 -20.3647 -19.7085 -19.7085 -19.7085 -19.7085 -7.9257 -7.9257 -7.9255 -7.9255 -6.9077 -6.9077 -6.8966 -6.8966 -6.8963 -6.8963 3.4496 3.4496 8.5556 8.5556 8.5688 8.5688 9.2314 9.2314 9.9480 9.9480 9.9682 9.9682 13.1453 13.1453 13.5812 13.5812 13.5827 13.5827 15.0691 15.0691 15.0799 15.0799 17.2582 17.2582 17.7002 17.7002 k = 0.0196-0.0113 0.0160 ( 4729 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7085 -19.7085 -19.7085 -19.7085 -7.9258 -7.9258 -7.9254 -7.9254 -6.9077 -6.9077 -6.8967 -6.8967 -6.8962 -6.8962 3.4543 3.4543 8.5485 8.5485 8.5751 8.5751 9.2303 9.2303 9.9388 9.9388 9.9791 9.9791 13.1391 13.1391 13.5729 13.5729 13.5789 13.5789 15.0625 15.0625 15.0840 15.0840 17.2191 17.2191 17.7148 17.7148 k = 0.0294-0.0170 0.0240 ( 4761 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7086 -19.7086 -19.7085 -19.7085 -7.9259 -7.9259 -7.9253 -7.9253 -6.9077 -6.9077 -6.8968 -6.8968 -6.8960 -6.8960 3.4621 3.4621 8.5409 8.5409 8.5815 8.5815 9.2285 9.2285 9.9305 9.9305 9.9902 9.9902 13.1286 13.1286 13.5594 13.5594 13.5725 13.5725 15.0550 15.0550 15.0871 15.0871 17.1653 17.1653 17.7286 17.7286 k = 0.0392-0.0226 0.0320 ( 4761 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7086 -19.7086 -19.7085 -19.7085 -7.9260 -7.9260 -7.9251 -7.9251 -6.9077 -6.9077 -6.8969 -6.8969 -6.8958 -6.8958 3.4730 3.4730 8.5326 8.5326 8.5880 8.5880 9.2262 9.2262 9.9230 9.9230 10.0016 10.0016 13.1140 13.1140 13.5408 13.5408 13.5637 13.5637 15.0466 15.0466 15.0894 15.0894 17.1043 17.1043 17.7368 17.7368 k = 0.0490-0.0283 0.0400 ( 4765 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7087 -19.7087 -19.7085 -19.7085 -7.9261 -7.9261 -7.9250 -7.9250 -6.9076 -6.9076 -6.8970 -6.8970 -6.8956 -6.8956 3.4870 3.4870 8.5234 8.5234 8.5947 8.5947 9.2235 9.2235 9.9165 9.9165 10.0130 10.0130 13.0952 13.0952 13.5177 13.5177 13.5525 13.5525 15.0375 15.0375 15.0906 15.0906 17.0409 17.0409 17.7387 17.7387 k = 0.0588-0.0340 0.0480 ( 4761 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7088 -19.7088 -19.7086 -19.7086 -7.9262 -7.9262 -7.9248 -7.9248 -6.9075 -6.9075 -6.8970 -6.8970 -6.8953 -6.8953 3.5041 3.5041 8.5132 8.5132 8.6018 8.6018 9.2205 9.2205 9.9110 9.9110 10.0244 10.0244 13.0721 13.0721 13.4907 13.4907 13.5389 13.5389 15.0275 15.0275 15.0909 15.0909 16.9777 16.9777 17.7348 17.7348 k = 0.0686-0.0396 0.0560 ( 4761 PWs) bands (ev): -43.6841 -43.6841 -20.3649 -20.3649 -19.7089 -19.7089 -19.7086 -19.7086 -7.9262 -7.9262 -7.9246 -7.9246 -6.9074 -6.9074 -6.8971 -6.8971 -6.8951 -6.8951 3.5243 3.5243 8.5018 8.5018 8.6091 8.6091 9.2174 9.2174 9.9065 9.9065 10.0356 10.0356 13.0448 13.0448 13.4601 13.4601 13.5233 13.5233 15.0166 15.0166 15.0901 15.0901 16.9160 16.9160 17.7255 17.7255 k = 0.0784-0.0453 0.0640 ( 4761 PWs) bands (ev): -43.6841 -43.6841 -20.3649 -20.3649 -19.7090 -19.7090 -19.7086 -19.7086 -7.9263 -7.9263 -7.9244 -7.9244 -6.9074 -6.9074 -6.8971 -6.8971 -6.8949 -6.8949 3.5475 3.5475 8.4891 8.4891 8.6169 8.6169 9.2145 9.2145 9.9031 9.9031 10.0467 10.0467 13.0133 13.0133 13.4268 13.4268 13.5055 13.5055 15.0049 15.0049 15.0882 15.0882 16.8567 16.8567 17.7110 17.7110 k = 0.0882-0.0509 0.0720 ( 4753 PWs) bands (ev): -43.6841 -43.6841 -20.3649 -20.3649 -19.7091 -19.7091 -19.7086 -19.7086 -7.9263 -7.9263 -7.9243 -7.9243 -6.9073 -6.9073 -6.8971 -6.8971 -6.8946 -6.8946 3.5737 3.5737 8.4749 8.4749 8.6250 8.6250 9.2120 9.2120 9.9008 9.9008 10.0575 10.0575 12.9775 12.9775 13.3913 13.3913 13.4858 13.4858 14.9924 14.9924 15.0853 15.0853 16.8001 16.8001 17.6912 17.6912 k = 0.0980-0.0566 0.0800 ( 4769 PWs) bands (ev): -43.6841 -43.6841 -20.3650 -20.3650 -19.7092 -19.7092 -19.7087 -19.7087 -7.9264 -7.9264 -7.9241 -7.9241 -6.9072 -6.9072 -6.8971 -6.8971 -6.8943 -6.8943 3.6028 3.6028 8.4591 8.4591 8.6337 8.6337 9.2100 9.2100 9.8996 9.8996 10.0679 10.0679 12.9376 12.9376 13.3542 13.3542 13.4644 13.4644 14.9791 14.9791 15.0812 15.0812 16.7463 16.7463 17.6659 17.6659 k = 0.1078-0.0623 0.0881 ( 4769 PWs) bands (ev): -43.6841 -43.6841 -20.3650 -20.3650 -19.7094 -19.7094 -19.7087 -19.7087 -7.9264 -7.9264 -7.9239 -7.9239 -6.9071 -6.9071 -6.8970 -6.8970 -6.8941 -6.8941 3.6349 3.6349 8.4418 8.4418 8.6428 8.6428 9.2087 9.2087 9.8993 9.8993 10.0780 10.0780 12.8936 12.8936 13.3160 13.3160 13.4414 13.4414 14.9650 14.9650 15.0760 15.0760 16.6953 16.6953 17.6349 17.6349 k = 0.1176-0.0679 0.0961 ( 4781 PWs) bands (ev): -43.6841 -43.6841 -20.3651 -20.3651 -19.7095 -19.7095 -19.7087 -19.7087 -7.9265 -7.9265 -7.9237 -7.9237 -6.9070 -6.9070 -6.8970 -6.8970 -6.8938 -6.8938 3.6698 3.6698 8.4228 8.4228 8.6523 8.6523 9.2084 9.2084 9.8999 9.8999 10.0877 10.0877 12.8458 12.8458 13.2773 13.2773 13.4169 13.4169 14.9501 14.9501 15.0696 15.0696 16.6471 16.6471 17.5980 17.5980 k = 0.1275-0.0736 0.1041 ( 4781 PWs) bands (ev): -43.6841 -43.6841 -20.3651 -20.3651 -19.7097 -19.7097 -19.7088 -19.7088 -7.9265 -7.9265 -7.9234 -7.9234 -6.9069 -6.9069 -6.8969 -6.8969 -6.8935 -6.8935 3.7076 3.7076 8.4021 8.4021 8.6623 8.6623 9.2091 9.2091 9.9014 9.9014 10.0970 10.0970 12.7944 12.7944 13.2384 13.2384 13.3911 13.3911 14.9345 14.9345 15.0621 15.0621 16.6013 16.6013 17.5552 17.5552 k = 0.1373-0.0792 0.1121 ( 4789 PWs) bands (ev): -43.6840 -43.6840 -20.3652 -20.3652 -19.7099 -19.7099 -19.7088 -19.7088 -7.9266 -7.9266 -7.9232 -7.9232 -6.9068 -6.9068 -6.8968 -6.8968 -6.8933 -6.8933 3.7481 3.7481 8.3798 8.3798 8.6728 8.6728 9.2109 9.2109 9.9037 9.9037 10.1059 10.1059 12.7396 12.7396 13.1996 13.1996 13.3642 13.3642 14.9181 14.9181 15.0534 15.0534 16.5578 16.5578 17.5063 17.5063 k = 0.1471-0.0849 0.1201 ( 4793 PWs) bands (ev): -43.6840 -43.6840 -20.3653 -20.3653 -19.7101 -19.7101 -19.7089 -19.7089 -7.9266 -7.9266 -7.9230 -7.9230 -6.9067 -6.9067 -6.8967 -6.8967 -6.8930 -6.8930 3.7913 3.7913 8.3561 8.3561 8.6837 8.6837 9.2140 9.2140 9.9066 9.9066 10.1145 10.1145 12.6818 12.6818 13.1611 13.1611 13.3364 13.3364 14.9010 14.9010 15.0435 15.0435 16.5164 16.5164 17.4515 17.4515 k = 0.1569-0.0906 0.1281 ( 4789 PWs) bands (ev): -43.6840 -43.6840 -20.3653 -20.3653 -19.7103 -19.7103 -19.7089 -19.7089 -7.9267 -7.9267 -7.9228 -7.9228 -6.9066 -6.9066 -6.8965 -6.8965 -6.8927 -6.8927 3.8371 3.8371 8.3309 8.3309 8.6949 8.6949 9.2184 9.2184 9.9100 9.9100 10.1228 10.1228 12.6213 12.6213 13.1230 13.1230 13.3077 13.3077 14.8833 14.8833 15.0326 15.0326 16.4766 16.4766 17.3895 17.3895 k = 0.1667-0.0962 0.1361 ( 4785 PWs) bands (ev): -43.6840 -43.6840 -20.3654 -20.3654 -19.7105 -19.7105 -19.7090 -19.7090 -7.9267 -7.9267 -7.9226 -7.9226 -6.9065 -6.9065 -6.8964 -6.8964 -6.8925 -6.8925 3.8854 3.8854 8.3046 8.3046 8.7066 8.7066 9.2240 9.2240 9.9138 9.9138 10.1310 10.1310 12.5585 12.5585 13.0855 13.0855 13.2784 13.2784 14.8650 14.8650 15.0205 15.0205 16.4383 16.4383 17.3147 17.3147 k = 0.1765-0.1019 0.1441 ( 4777 PWs) bands (ev): -43.6839 -43.6839 -20.3654 -20.3654 -19.7107 -19.7107 -19.7090 -19.7090 -7.9268 -7.9268 -7.9224 -7.9224 -6.9065 -6.9065 -6.8962 -6.8962 -6.8922 -6.8922 3.9361 3.9361 8.2772 8.2772 8.7185 8.7185 9.2308 9.2308 9.9178 9.9178 10.1390 10.1390 12.4936 12.4936 13.0486 13.0486 13.2487 13.2487 14.8460 14.8460 15.0073 15.0073 16.4011 16.4011 17.2314 17.2314 k = 0.1863-0.1075 0.1521 ( 4777 PWs) bands (ev): -43.6839 -43.6839 -20.3655 -20.3655 -19.7109 -19.7109 -19.7091 -19.7091 -7.9268 -7.9268 -7.9223 -7.9222 -6.9064 -6.9064 -6.8960 -6.8960 -6.8920 -6.8920 3.9892 3.9892 8.2489 8.2489 8.7308 8.7308 9.2389 9.2389 9.9220 9.9220 10.1470 10.1470 12.4270 12.4270 13.0124 13.0124 13.2186 13.2186 14.8266 14.8266 14.9931 14.9931 16.3647 16.3647 17.1449 17.1449 k = 0.1961-0.1132 0.1601 ( 4781 PWs) bands (ev): -43.6839 -43.6839 -20.3656 -20.3656 -19.7111 -19.7111 -19.7091 -19.7091 -7.9268 -7.9268 -7.9221 -7.9221 -6.9064 -6.9064 -6.8958 -6.8958 -6.8917 -6.8917 4.0445 4.0445 8.2201 8.2201 8.7433 8.7433 9.2480 9.2480 9.9262 9.9262 10.1552 10.1552 12.3588 12.3588 12.9770 12.9770 13.1883 13.1883 14.8067 14.8067 14.9778 14.9778 16.3288 16.3288 17.0565 17.0565 k = 0.2059-0.1189 0.1681 ( 4781 PWs) bands (ev): -43.6839 -43.6839 -20.3656 -20.3656 -19.7113 -19.7113 -19.7092 -19.7092 -7.9269 -7.9269 -7.9219 -7.9219 -6.9063 -6.9063 -6.8956 -6.8956 -6.8915 -6.8915 4.1019 4.1019 8.1908 8.1908 8.7559 8.7559 9.2582 9.2582 9.9302 9.9302 10.1636 10.1636 12.2892 12.2892 12.9423 12.9423 13.1579 13.1579 14.7863 14.7863 14.9616 14.9616 16.2930 16.2930 16.9668 16.9668 k = 0.2157-0.1245 0.1761 ( 4785 PWs) bands (ev): -43.6838 -43.6838 -20.3657 -20.3657 -19.7115 -19.7115 -19.7092 -19.7092 -7.9269 -7.9269 -7.9217 -7.9217 -6.9063 -6.9063 -6.8954 -6.8954 -6.8913 -6.8913 4.1613 4.1613 8.1614 8.1614 8.7687 8.7687 9.2693 9.2693 9.9340 9.9340 10.1723 10.1723 12.2185 12.2185 12.9086 12.9086 13.1276 13.1276 14.7655 14.7655 14.9444 14.9444 16.2570 16.2570 16.8763 16.8763 k = 0.2255-0.1302 0.1841 ( 4781 PWs) bands (ev): -43.6838 -43.6838 -20.3658 -20.3658 -19.7117 -19.7117 -19.7093 -19.7093 -7.9269 -7.9269 -7.9216 -7.9216 -6.9063 -6.9063 -6.8952 -6.8952 -6.8911 -6.8911 4.2225 4.2225 8.1321 8.1321 8.7816 8.7816 9.2812 9.2812 9.9375 9.9375 10.1814 10.1814 12.1466 12.1466 12.8757 12.8757 13.0975 13.0975 14.7444 14.7444 14.9262 14.9262 16.2207 16.2207 16.7855 16.7855 k = 0.2353-0.1358 0.1921 ( 4789 PWs) bands (ev): -43.6838 -43.6838 -20.3658 -20.3658 -19.7119 -19.7119 -19.7094 -19.7094 -7.9270 -7.9270 -7.9215 -7.9215 -6.9063 -6.9063 -6.8950 -6.8950 -6.8908 -6.8908 4.2854 4.2854 8.1031 8.1031 8.7945 8.7945 9.2938 9.2938 9.9406 9.9406 10.1911 10.1911 12.0738 12.0738 12.8437 12.8437 13.0677 13.0677 14.7231 14.7231 14.9072 14.9072 16.1838 16.1838 16.6948 16.6948 k = 0.2451-0.1415 0.2001 ( 4801 PWs) bands (ev): -43.6837 -43.6837 -20.3659 -20.3659 -19.7121 -19.7121 -19.7094 -19.7094 -7.9270 -7.9270 -7.9214 -7.9214 -6.9063 -6.9063 -6.8948 -6.8948 -6.8906 -6.8906 4.3497 4.3497 8.0747 8.0747 8.8074 8.8074 9.3070 9.3070 9.9434 9.9434 10.2013 10.2013 12.0000 12.0000 12.8128 12.8128 13.0383 13.0383 14.7015 14.7015 14.8873 14.8873 16.1461 16.1461 16.6045 16.6045 k = 0.2549-0.1472 0.2081 ( 4801 PWs) bands (ev): -43.6837 -43.6837 -20.3659 -20.3659 -19.7123 -19.7123 -19.7095 -19.7095 -7.9270 -7.9270 -7.9213 -7.9213 -6.9063 -6.9063 -6.8946 -6.8946 -6.8904 -6.8904 4.4154 4.4154 8.0470 8.0470 8.8203 8.8203 9.3206 9.3206 9.9457 9.9457 10.2121 10.2121 11.9252 11.9252 12.7829 12.7829 13.0094 13.0094 14.6797 14.6797 14.8666 14.8666 16.1075 16.1075 16.5152 16.5152 k = 0.2647-0.1528 0.2161 ( 4765 PWs) bands (ev): -43.6837 -43.6837 -20.3660 -20.3660 -19.7124 -19.7124 -19.7095 -19.7095 -7.9270 -7.9270 -7.9212 -7.9212 -6.9063 -6.9063 -6.8945 -6.8945 -6.8902 -6.8902 4.4822 4.4822 8.0203 8.0203 8.8330 8.8330 9.3345 9.3345 9.9476 9.9476 10.2235 10.2235 11.8496 11.8496 12.7541 12.7541 12.9811 12.9811 14.6579 14.6579 14.8452 14.8452 16.0680 16.0680 16.4270 16.4270 k = 0.2745-0.1585 0.2241 ( 4765 PWs) bands (ev): -43.6837 -43.6837 -20.3661 -20.3661 -19.7126 -19.7126 -19.7096 -19.7096 -7.9271 -7.9271 -7.9211 -7.9211 -6.9063 -6.9063 -6.8943 -6.8943 -6.8900 -6.8900 4.5498 4.5498 7.9949 7.9949 8.8456 8.8456 9.3485 9.3485 9.9493 9.9493 10.2353 10.2353 11.7731 11.7731 12.7264 12.7264 12.9534 12.9534 14.6360 14.6360 14.8231 14.8231 16.0276 16.0276 16.3402 16.3402 k = 0.2843-0.1641 0.2321 ( 4769 PWs) bands (ev): -43.6836 -43.6836 -20.3661 -20.3661 -19.7128 -19.7128 -19.7096 -19.7096 -7.9271 -7.9271 -7.9211 -7.9211 -6.9063 -6.9063 -6.8942 -6.8942 -6.8898 -6.8898 4.6180 4.6180 7.9709 7.9709 8.8580 8.8580 9.3625 9.3625 9.9507 9.9507 10.2477 10.2477 11.6958 11.6958 12.6999 12.6999 12.9265 12.9265 14.6141 14.6141 14.8004 14.8004 15.9865 15.9865 16.2553 16.2553 k = 0.2941-0.1698 0.2401 ( 4764 PWs) bands (ev): -43.6836 -43.6836 -20.3662 -20.3662 -19.7130 -19.7130 -19.7097 -19.7097 -7.9271 -7.9271 -7.9210 -7.9210 -6.9063 -6.9063 -6.8941 -6.8941 -6.8896 -6.8896 4.6866 4.6866 7.9485 7.9485 8.8702 8.8702 9.3764 9.3764 9.9521 9.9521 10.2604 10.2604 11.6178 11.6178 12.6746 12.6746 12.9005 12.9005 14.5924 14.5924 14.7772 14.7772 15.9448 15.9448 16.1725 16.1725 k = 0.3039-0.1755 0.2482 ( 4756 PWs) bands (ev): -43.6836 -43.6836 -20.3662 -20.3662 -19.7132 -19.7132 -19.7097 -19.7097 -7.9271 -7.9271 -7.9210 -7.9210 -6.9063 -6.9063 -6.8941 -6.8941 -6.8894 -6.8894 4.7553 4.7553 7.9280 7.9280 8.8822 8.8822 9.3899 9.3899 9.9534 9.9534 10.2733 10.2733 11.5390 11.5390 12.6505 12.6505 12.8753 12.8753 14.5708 14.5708 14.7536 14.7536 15.9027 15.9027 16.0921 16.0921 k = 0.3137-0.1811 0.2562 ( 4756 PWs) bands (ev): -43.6836 -43.6836 -20.3663 -20.3663 -19.7133 -19.7133 -19.7098 -19.7098 -7.9271 -7.9271 -7.9210 -7.9210 -6.9064 -6.9064 -6.8940 -6.8940 -6.8892 -6.8892 4.8237 4.8237 7.9095 7.9095 8.8940 8.8940 9.4030 9.4030 9.9549 9.9549 10.2864 10.2864 11.4597 11.4597 12.6277 12.6277 12.8511 12.8511 14.5494 14.5494 14.7296 14.7296 15.8603 15.8603 16.0146 16.0146 k = 0.3235-0.1868 0.2642 ( 4752 PWs) bands (ev): -43.6835 -43.6835 -20.3663 -20.3663 -19.7135 -19.7135 -19.7099 -19.7099 -7.9271 -7.9271 -7.9210 -7.9210 -6.9064 -6.9064 -6.8940 -6.8940 -6.8889 -6.8889 4.8916 4.8916 7.8932 7.8932 8.9057 8.9057 9.4154 9.4154 9.9565 9.9565 10.2994 10.2994 11.3800 11.3800 12.6063 12.6063 12.8278 12.8278 14.5283 14.5283 14.7056 14.7056 15.8176 15.8176 15.9406 15.9406 k = 0.3333-0.1925 0.2722 ( 4760 PWs) bands (ev): -43.6835 -43.6835 -20.3663 -20.3663 -19.7136 -19.7136 -19.7099 -19.7099 -7.9271 -7.9271 -7.9210 -7.9210 -6.9064 -6.9064 -6.8941 -6.8941 -6.8887 -6.8887 4.9586 4.9586 7.8792 7.8792 8.9172 8.9172 9.4269 9.4269 9.9584 9.9584 10.3121 10.3121 11.3003 11.3003 12.5861 12.5861 12.8056 12.8056 14.5077 14.5077 14.6815 14.6815 15.7742 15.7742 15.8711 15.8711 k = 0.3431-0.1981 0.2802 ( 4768 PWs) bands (ev): -43.6835 -43.6835 -20.3664 -20.3664 -19.7138 -19.7138 -19.7100 -19.7100 -7.9271 -7.9271 -7.9210 -7.9210 -6.9064 -6.9064 -6.8941 -6.8941 -6.8884 -6.8884 5.0243 5.0243 7.8677 7.8677 8.9287 8.9287 9.4373 9.4373 9.9607 9.9607 10.3244 10.3244 11.2208 11.2208 12.5672 12.5672 12.7845 12.7845 14.4875 14.4875 14.6576 14.6576 15.7287 15.7287 15.8079 15.8079 k = 0.3529-0.2038 0.2882 ( 4760 PWs) bands (ev): -43.6835 -43.6835 -20.3664 -20.3664 -19.7139 -19.7139 -19.7100 -19.7100 -7.9271 -7.9271 -7.9211 -7.9211 -6.9065 -6.9065 -6.8942 -6.8942 -6.8882 -6.8882 5.0884 5.0884 7.8587 7.8587 8.9402 8.9402 9.4465 9.4465 9.9633 9.9633 10.3359 10.3359 11.1420 11.1420 12.5497 12.5497 12.7646 12.7646 14.4678 14.4678 14.6341 14.6341 15.6796 15.6796 15.7530 15.7530 k = 0.3627-0.2094 0.2962 ( 4756 PWs) bands (ev): -43.6834 -43.6834 -20.3665 -20.3665 -19.7140 -19.7140 -19.7100 -19.7100 -7.9271 -7.9271 -7.9211 -7.9211 -6.9065 -6.9065 -6.8943 -6.8943 -6.8879 -6.8879 5.1504 5.1504 7.8523 7.8523 8.9520 8.9520 9.4541 9.4541 9.9665 9.9665 10.3464 10.3464 11.0646 11.0646 12.5334 12.5334 12.7457 12.7457 14.4488 14.4488 14.6111 14.6111 15.6266 15.6266 15.7064 15.7064 k = 0.3725-0.2151 0.3042 ( 4764 PWs) bands (ev): -43.6834 -43.6834 -20.3665 -20.3665 -19.7141 -19.7141 -19.7101 -19.7101 -7.9271 -7.9271 -7.9212 -7.9212 -6.9065 -6.9065 -6.8944 -6.8944 -6.8877 -6.8877 5.2101 5.2101 7.8485 7.8485 8.9640 8.9640 9.4599 9.4599 9.9701 9.9701 10.3554 10.3554 10.9892 10.9892 12.5185 12.5185 12.7281 12.7281 14.4306 14.4306 14.5889 14.5889 15.5720 15.5720 15.6543 15.6543 k = 0.3824-0.2208 0.3122 ( 4772 PWs) bands (ev): -43.6834 -43.6834 -20.3665 -20.3665 -19.7142 -19.7142 -19.7101 -19.7101 -7.9271 -7.9271 -7.9213 -7.9213 -6.9065 -6.9065 -6.8946 -6.8946 -6.8875 -6.8875 5.2669 5.2669 7.8472 7.8472 8.9764 8.9764 9.4638 9.4638 9.9742 9.9742 10.3623 10.3623 10.9168 10.9168 12.5049 12.5049 12.7117 12.7117 14.4131 14.4131 14.5676 14.5676 15.5184 15.5184 15.5937 15.5937 k = 0.3922-0.2264 0.3202 ( 4780 PWs) bands (ev): -43.6834 -43.6834 -20.3665 -20.3665 -19.7143 -19.7143 -19.7102 -19.7102 -7.9271 -7.9271 -7.9213 -7.9213 -6.9065 -6.9065 -6.8947 -6.8947 -6.8873 -6.8873 5.3206 5.3206 7.8484 7.8484 8.9896 8.9896 9.4654 9.4654 9.9787 9.9787 10.3665 10.3665 10.8486 10.8486 12.4926 12.4926 12.6965 12.6965 14.3965 14.3965 14.5475 14.5475 15.4673 15.4673 15.5361 15.5361 k = 0.4020-0.2321 0.3282 ( 4792 PWs) bands (ev): -43.6834 -43.6834 -20.3666 -20.3666 -19.7144 -19.7144 -19.7102 -19.7102 -7.9271 -7.9271 -7.9214 -7.9214 -6.9065 -6.9065 -6.8948 -6.8948 -6.8871 -6.8871 5.3707 5.3707 7.8517 7.8517 9.0035 9.0035 9.4644 9.4644 9.9838 9.9838 10.3670 10.3670 10.7862 10.7862 12.4815 12.4815 12.6825 12.6825 14.3810 14.3810 14.5287 14.5287 15.4195 15.4195 15.4824 15.4824 k = 0.4118-0.2377 0.3362 ( 4792 PWs) bands (ev): -43.6833 -43.6833 -20.3666 -20.3666 -19.7145 -19.7145 -19.7102 -19.7102 -7.9271 -7.9271 -7.9215 -7.9215 -6.9066 -6.9066 -6.8950 -6.8950 -6.8869 -6.8869 5.4170 5.4170 7.8569 7.8569 9.0184 9.0184 9.4606 9.4606 9.9893 9.9893 10.3625 10.3625 10.7313 10.7313 12.4716 12.4716 12.6699 12.6699 14.3665 14.3665 14.5113 14.5113 15.3756 15.3756 15.4329 15.4329 k = 0.4216-0.2434 0.3442 ( 4792 PWs) bands (ev): -43.6833 -43.6833 -20.3666 -20.3666 -19.7146 -19.7146 -19.7103 -19.7103 -7.9271 -7.9271 -7.9216 -7.9216 -6.9066 -6.9066 -6.8951 -6.8951 -6.8867 -6.8867 5.4592 5.4592 7.8637 7.8637 9.0344 9.0344 9.4539 9.4539 9.9953 9.9953 10.3522 10.3522 10.6857 10.6857 12.4629 12.4629 12.6585 12.6585 14.3533 14.3533 14.4954 14.4954 15.3358 15.3358 15.3877 15.3877 k = 0.4314-0.2491 0.3522 ( 4792 PWs) bands (ev): -43.6833 -43.6833 -20.3666 -20.3666 -19.7146 -19.7146 -19.7103 -19.7103 -7.9271 -7.9271 -7.9216 -7.9216 -6.9066 -6.9066 -6.8952 -6.8952 -6.8865 -6.8865 5.4969 5.4969 7.8716 7.8716 9.0516 9.0516 9.4441 9.4441 10.0016 10.0016 10.3355 10.3355 10.6504 10.6504 12.4553 12.4553 12.6484 12.6484 14.3413 14.3413 14.4813 14.4813 15.3004 15.3004 15.3471 15.3471 k = 0.4412-0.2547 0.3602 ( 4780 PWs) bands (ev): -43.6833 -43.6833 -20.3666 -20.3666 -19.7147 -19.7147 -19.7103 -19.7103 -7.9270 -7.9270 -7.9217 -7.9217 -6.9066 -6.9066 -6.8953 -6.8953 -6.8864 -6.8864 5.5300 5.5300 7.8800 7.8800 9.0700 9.0700 9.4313 9.4313 10.0083 10.0083 10.3133 10.3133 10.6252 10.6252 12.4489 12.4489 12.6396 12.6396 14.3308 14.3308 14.4689 14.4689 15.2697 15.2697 15.3113 15.3113 k = 0.4510-0.2604 0.3682 ( 4780 PWs) bands (ev): -43.6833 -43.6833 -20.3666 -20.3666 -19.7147 -19.7147 -19.7103 -19.7103 -7.9270 -7.9270 -7.9218 -7.9218 -6.9066 -6.9066 -6.8954 -6.8954 -6.8863 -6.8863 5.5582 5.5582 7.8885 7.8885 9.0894 9.0894 9.4158 9.4158 10.0153 10.0153 10.2881 10.2881 10.6084 10.6084 12.4435 12.4435 12.6322 12.6322 14.3217 14.3217 14.4583 14.4583 15.2437 15.2437 15.2805 15.2805 k = 0.4608-0.2660 0.3762 ( 4772 PWs) bands (ev): -43.6833 -43.6833 -20.3666 -20.3666 -19.7148 -19.7148 -19.7103 -19.7103 -7.9270 -7.9270 -7.9218 -7.9218 -6.9066 -6.9066 -6.8955 -6.8955 -6.8862 -6.8862 5.5815 5.5815 7.8964 7.8964 9.1094 9.1094 9.3984 9.3984 10.0222 10.0222 10.2625 10.2625 10.5979 10.5979 12.4392 12.4392 12.6261 12.6261 14.3141 14.3141 14.4496 14.4496 15.2225 15.2225 15.2547 15.2547 k = 0.4706-0.2717 0.3842 ( 4780 PWs) bands (ev): -43.6833 -43.6833 -20.3667 -20.3667 -19.7148 -19.7148 -19.7103 -19.7103 -7.9270 -7.9270 -7.9219 -7.9219 -6.9066 -6.9066 -6.8956 -6.8956 -6.8861 -6.8861 5.5997 5.5997 7.9033 7.9033 9.1289 9.1289 9.3803 9.3803 10.0289 10.0289 10.2392 10.2392 10.5917 10.5917 12.4358 12.4358 12.6213 12.6213 14.3082 14.3082 14.4428 14.4428 15.2062 15.2062 15.2343 15.2343 k = 0.4804-0.2774 0.3922 ( 4780 PWs) bands (ev): -43.6833 -43.6833 -20.3667 -20.3667 -19.7148 -19.7148 -19.7104 -19.7104 -7.9270 -7.9270 -7.9219 -7.9219 -6.9066 -6.9066 -6.8956 -6.8956 -6.8861 -6.8861 5.6127 5.6127 7.9085 7.9085 9.1463 9.1463 9.3636 9.3636 10.0347 10.0347 10.2206 10.2206 10.5881 10.5881 12.4335 12.4335 12.6179 12.6179 14.3039 14.3039 14.4379 14.4379 15.1947 15.1947 15.2195 15.2195 k = 0.4902-0.2830 0.4002 ( 4796 PWs) bands (ev): -43.6833 -43.6833 -20.3667 -20.3667 -19.7148 -19.7148 -19.7104 -19.7104 -7.9270 -7.9270 -7.9219 -7.9219 -6.9066 -6.9066 -6.8957 -6.8957 -6.8860 -6.8860 5.6206 5.6206 7.9119 7.9119 9.1589 9.1589 9.3512 9.3512 10.0388 10.0388 10.2085 10.2085 10.5863 10.5863 12.4321 12.4321 12.6159 12.6159 14.3013 14.3013 14.4350 14.4350 15.1879 15.1879 15.2104 15.2104 k = 0.5000-0.2887 0.4082 ( 4800 PWs) bands (ev): -43.6833 -43.6833 -20.3667 -20.3667 -19.7148 -19.7148 -19.7104 -19.7104 -7.9270 -7.9270 -7.9219 -7.9219 -6.9066 -6.9066 -6.8957 -6.8957 -6.8860 -6.8860 5.6232 5.6232 7.9130 7.9130 9.1637 9.1637 9.3465 9.3465 10.0402 10.0402 10.2043 10.2043 10.5858 10.5858 12.4316 12.4316 12.6152 12.6152 14.3004 14.3004 14.4340 14.4340 15.1857 15.1857 15.2074 15.2074 k = 0.5000-0.2887 0.4082 ( 4800 PWs) bands (ev): -43.6833 -43.6833 -20.3667 -20.3667 -19.7148 -19.7148 -19.7104 -19.7104 -7.9270 -7.9270 -7.9219 -7.9219 -6.9066 -6.9066 -6.8957 -6.8957 -6.8860 -6.8860 5.6232 5.6232 7.9130 7.9130 9.1637 9.1637 9.3465 9.3465 10.0402 10.0402 10.2043 10.2043 10.5858 10.5858 12.4316 12.4316 12.6152 12.6152 14.3004 14.3004 14.4340 14.4340 15.1857 15.1857 15.2074 15.2074 k = 0.5000-0.2776 0.4161 ( 4800 PWs) bands (ev): -43.6833 -43.6833 -20.3667 -20.3666 -19.7149 -19.7147 -19.7104 -19.7103 -7.9271 -7.9269 -7.9221 -7.9217 -6.9066 -6.9066 -6.8959 -6.8955 -6.8861 -6.8859 5.6223 5.6245 7.9099 7.9182 9.1541 9.1725 9.3241 9.3687 10.0187 10.0588 10.1869 10.2231 10.5785 10.5925 12.4228 12.4359 12.6120 12.6136 14.3035 14.3039 14.4284 14.4417 15.1843 15.1860 15.2067 15.2081 k = 0.5000-0.2665 0.4240 ( 4790 PWs) bands (ev): -43.6833 -43.6833 -20.3668 -20.3665 -19.7150 -19.7147 -19.7105 -19.7103 -7.9271 -7.9268 -7.9224 -7.9214 -6.9066 -6.9065 -6.8961 -6.8953 -6.8863 -6.8858 5.6218 5.6261 7.9088 7.9255 9.1438 9.1805 9.3014 9.3907 9.9935 10.0750 10.1714 10.2431 10.5708 10.5983 12.4080 12.4366 12.6035 12.6091 14.3129 14.3139 14.4251 14.4516 15.1817 15.1856 15.2063 15.2085 k = 0.5000-0.2554 0.4318 ( 4780 PWs) bands (ev): -43.6833 -43.6833 -20.3669 -20.3665 -19.7150 -19.7146 -19.7105 -19.7103 -7.9272 -7.9267 -7.9226 -7.9212 -6.9066 -6.9064 -6.8962 -6.8951 -6.8865 -6.8856 5.6217 5.6281 7.9098 7.9350 9.1326 9.1877 9.2785 9.4127 9.9645 10.0894 10.1579 10.2639 10.5632 10.6029 12.3848 12.4328 12.5909 12.6046 14.3278 14.3299 14.4239 14.4635 15.1778 15.1846 15.2063 15.2086 k = 0.5000-0.2443 0.4397 ( 4780 PWs) bands (ev): -43.6833 -43.6832 -20.3670 -20.3664 -19.7151 -19.7145 -19.7106 -19.7102 -7.9272 -7.9265 -7.9228 -7.9210 -6.9066 -6.9062 -6.8964 -6.8948 -6.8866 -6.8855 5.6220 5.6304 7.9128 7.9465 9.1207 9.1941 9.2553 9.4346 9.9316 10.1026 10.1463 10.2854 10.5560 10.6059 12.3519 12.4221 12.5772 12.6022 14.3476 14.3512 14.4251 14.4776 15.1727 15.1832 15.2065 15.2080 k = 0.5000-0.2332 0.4475 ( 4778 PWs) bands (ev): -43.6833 -43.6832 -20.3670 -20.3663 -19.7151 -19.7144 -19.7107 -19.7102 -7.9273 -7.9264 -7.9230 -7.9208 -6.9065 -6.9061 -6.8966 -6.8946 -6.8868 -6.8854 5.6226 5.6331 7.9179 7.9601 9.1078 9.1997 9.2320 9.4564 9.8949 10.1149 10.1365 10.3074 10.5495 10.6073 12.3089 12.4013 12.5667 12.6033 14.3711 14.3767 14.4286 14.4936 15.1664 15.1815 15.2067 15.2067 k = 0.5000-0.2221 0.4554 ( 4774 PWs) bands (ev): -43.6833 -43.6832 -20.3671 -20.3663 -19.7152 -19.7143 -19.7108 -19.7102 -7.9273 -7.9262 -7.9232 -7.9205 -6.9065 -6.9059 -6.8968 -6.8944 -6.8870 -6.8854 5.6236 5.6361 7.9250 7.9758 9.0937 9.2045 9.2087 9.4782 9.8548 10.1266 10.1283 10.3299 10.5439 10.6070 12.2569 12.3686 12.5622 12.6077 14.3974 14.4050 14.4349 14.5116 15.1591 15.1796 15.2046 15.2070 k = 0.5000-0.2110 0.4632 ( 4778 PWs) bands (ev): -43.6833 -43.6832 -20.3672 -20.3662 -19.7152 -19.7142 -19.7109 -19.7102 -7.9274 -7.9261 -7.9234 -7.9203 -6.9064 -6.9057 -6.8969 -6.8941 -6.8871 -6.8853 5.6248 5.6393 7.9341 7.9937 9.0780 9.1859 9.2085 9.4998 9.8118 10.1214 10.1381 10.3530 10.5394 10.6049 12.1975 12.3249 12.5638 12.6149 14.4256 14.4316 14.4476 14.5316 15.1508 15.1774 15.2018 15.2071 k = 0.5000-0.1999 0.4711 ( 4774 PWs) bands (ev): -43.6833 -43.6832 -20.3673 -20.3662 -19.7153 -19.7141 -19.7110 -19.7102 -7.9274 -7.9259 -7.9236 -7.9201 -6.9063 -6.9055 -6.8971 -6.8939 -6.8873 -6.8852 5.6264 5.6428 7.9451 8.0136 9.0605 9.1641 9.2116 9.5208 9.7665 10.1157 10.1493 10.3768 10.5361 10.6010 12.1321 12.2725 12.5700 12.6242 14.4470 14.4548 14.4751 14.5534 15.1418 15.1749 15.1981 15.2069 k = 0.5000-0.1887 0.4789 ( 4778 PWs) bands (ev): -43.6833 -43.6832 -20.3673 -20.3661 -19.7153 -19.7140 -19.7111 -19.7103 -7.9274 -7.9257 -7.9237 -7.9199 -6.9062 -6.9052 -6.8972 -6.8936 -6.8875 -6.8852 5.6282 5.6465 7.9580 8.0356 9.0404 9.1437 9.2140 9.5405 9.7203 10.1108 10.1605 10.4014 10.5344 10.5954 12.0622 12.2138 12.5793 12.6349 14.4597 14.4844 14.5082 14.5768 15.1319 15.1721 15.1937 15.2064 k = 0.5000-0.1776 0.4868 ( 4774 PWs) bands (ev): -43.6833 -43.6832 -20.3674 -20.3661 -19.7153 -19.7139 -19.7112 -19.7103 -7.9274 -7.9255 -7.9239 -7.9197 -6.9060 -6.9050 -6.8974 -6.8934 -6.8877 -6.8852 5.6302 5.6503 7.9728 8.0596 9.0175 9.1253 9.2155 9.5562 9.6761 10.1068 10.1717 10.4270 10.5341 10.5883 11.9891 12.1504 12.5907 12.6464 14.4735 14.5139 14.5423 14.6018 15.1213 15.1689 15.1884 15.2055 k = 0.5000-0.1665 0.4946 ( 4772 PWs) bands (ev): -43.6834 -43.6832 -20.3675 -20.3660 -19.7153 -19.7137 -19.7113 -19.7103 -7.9275 -7.9253 -7.9240 -7.9195 -6.9059 -6.9047 -6.8975 -6.8931 -6.8879 -6.8852 5.6325 5.6543 7.9894 8.0857 8.9917 9.1090 9.2162 9.5580 9.6443 10.1034 10.1830 10.4537 10.5356 10.5798 11.9137 12.0838 12.6034 12.6585 14.4889 14.5432 14.5763 14.6279 15.1099 15.1651 15.1825 15.2040 k = 0.5000-0.1554 0.5025 ( 4780 PWs) bands (ev): -43.6834 -43.6832 -20.3675 -20.3660 -19.7154 -19.7136 -19.7114 -19.7104 -7.9275 -7.9251 -7.9241 -7.9194 -6.9058 -6.9045 -6.8976 -6.8928 -6.8881 -6.8852 5.6348 5.6583 8.0078 8.1137 8.9632 9.0947 9.2159 9.5304 9.6407 10.1006 10.1944 10.4814 10.5390 10.5701 11.8369 12.0150 12.6168 12.6707 14.5059 14.5719 14.6098 14.6549 15.0979 15.1606 15.1760 15.2018 k = 0.5000-0.1443 0.5103 ( 4776 PWs) bands (ev): -43.6834 -43.6832 -20.3676 -20.3659 -19.7154 -19.7135 -19.7116 -19.7104 -7.9275 -7.9250 -7.9242 -7.9192 -6.9056 -6.9042 -6.8977 -6.8926 -6.8882 -6.8852 5.6373 5.6623 8.0279 8.1438 8.9325 9.0821 9.2143 9.4848 9.6543 10.0983 10.2059 10.5103 10.5443 10.5595 11.7595 11.9447 12.6304 12.6827 14.5244 14.6002 14.6424 14.6824 15.0852 15.1552 15.1691 15.1989 k = 0.5000-0.1332 0.5182 ( 4776 PWs) bands (ev): -43.6834 -43.6832 -20.3676 -20.3659 -19.7154 -19.7134 -19.7117 -19.7105 -7.9276 -7.9248 -7.9242 -7.9191 -6.9055 -6.9039 -6.8978 -6.8923 -6.8884 -6.8852 5.6398 5.6663 8.0496 8.1758 8.8998 9.0710 9.2109 9.4346 9.6727 10.0964 10.2176 10.5377 10.5507 10.5517 11.6820 11.8738 12.6440 12.6944 14.5442 14.6280 14.6740 14.7100 15.0720 15.1484 15.1620 15.1952 k = 0.5000-0.1221 0.5260 ( 4774 PWs) bands (ev): -43.6834 -43.6832 -20.3677 -20.3658 -19.7154 -19.7133 -19.7118 -19.7106 -7.9276 -7.9246 -7.9243 -7.9189 -6.9054 -6.9036 -6.8979 -6.8920 -6.8886 -6.8853 5.6423 5.6702 8.0730 8.2097 8.8656 9.0611 9.2046 9.3846 9.6923 10.0948 10.2295 10.5333 10.5615 10.5745 11.6051 11.8027 12.6572 12.7056 14.5652 14.6554 14.7044 14.7373 15.0582 15.1402 15.1548 15.1904 k = 0.5000-0.1110 0.5339 ( 4772 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7106 -7.9277 -7.9244 -7.9243 -7.9188 -6.9052 -6.9034 -6.8980 -6.8917 -6.8888 -6.8854 5.6447 5.6740 8.0979 8.2454 8.8302 9.0523 9.1928 9.3387 9.7119 10.0936 10.2415 10.5205 10.5737 10.6075 11.5292 11.7321 12.6698 12.7161 14.5871 14.6823 14.7334 14.7642 15.0439 15.1306 15.1475 15.1846 k = 0.5000-0.0999 0.5417 ( 4768 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7153 -19.7130 -19.7120 -19.7107 -7.9277 -7.9243 -7.9242 -7.9187 -6.9051 -6.9031 -6.8981 -6.8914 -6.8890 -6.8855 5.6471 5.6776 8.1241 8.2830 8.7939 9.0445 9.1713 9.3017 9.7308 10.0925 10.2538 10.5069 10.5886 10.6424 11.4547 11.6622 12.6816 12.7258 14.6097 14.7088 14.7610 14.7905 15.0292 15.1198 15.1398 15.1778 k = 0.5000-0.0888 0.5496 ( 4764 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7153 -19.7129 -19.7121 -19.7108 -7.9277 -7.9243 -7.9241 -7.9186 -6.9050 -6.9029 -6.8981 -6.8911 -6.8891 -6.8855 5.6494 5.6809 8.1516 8.3222 8.7570 9.0376 9.1370 9.2774 9.7487 10.0917 10.2662 10.4929 10.6063 10.6789 11.3821 11.5935 12.6925 12.7347 14.6329 14.7347 14.7868 14.8157 15.0143 15.1080 15.1315 15.1698 k = 0.5000-0.0777 0.5574 ( 4760 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7128 -19.7122 -19.7109 -7.9278 -7.9244 -7.9239 -7.9185 -6.9049 -6.9027 -6.8982 -6.8908 -6.8893 -6.8857 5.6515 5.6840 8.1803 8.3630 8.7199 9.0316 9.0923 9.2636 9.7653 10.0910 10.2789 10.4785 10.6270 10.7169 11.3117 11.5265 12.7023 12.7426 14.6563 14.7600 14.8105 14.8399 14.9996 15.0955 15.1224 15.1608 k = 0.5000-0.0666 0.5653 ( 4756 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7127 -19.7123 -19.7110 -7.9278 -7.9243 -7.9238 -7.9184 -6.9048 -6.9025 -6.8982 -6.8906 -6.8894 -6.8858 5.6534 5.6868 8.2099 8.4053 8.6827 9.0264 9.0422 9.2557 9.7802 10.0905 10.2917 10.4640 10.6508 10.7562 11.2438 11.4615 12.7110 12.7495 14.6798 14.7845 14.8316 14.8626 14.9854 15.0826 15.1127 15.1509 k = 0.5000-0.0555 0.5731 ( 4758 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7153 -19.7126 -19.7124 -19.7110 -7.9279 -7.9243 -7.9237 -7.9184 -6.9047 -6.9023 -6.8982 -6.8903 -6.8896 -6.8859 5.6551 5.6892 8.2400 8.4488 8.6460 8.9898 9.0220 9.2511 9.7933 10.0901 10.3048 10.4494 10.6776 10.7966 11.1789 11.3991 12.7184 12.7555 14.7030 14.8079 14.8489 14.8835 14.9729 15.0696 15.1022 15.1405 k = 0.5000-0.0444 0.5810 ( 4750 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7153 -19.7125 -19.7124 -19.7111 -7.9279 -7.9243 -7.9236 -7.9183 -6.9047 -6.9022 -6.8983 -6.8901 -6.8897 -6.8860 5.6565 5.6912 8.2702 8.4932 8.6103 8.9371 9.0185 9.2481 9.8043 10.0897 10.3179 10.4349 10.7074 10.8374 11.1176 11.3400 12.7245 12.7603 14.7256 14.8298 14.8606 14.9021 14.9635 15.0573 15.0912 15.1299 k = 0.5000-0.0333 0.5888 ( 4746 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7153 -19.7125 -19.7124 -19.7112 -7.9279 -7.9243 -7.9235 -7.9183 -6.9046 -6.9020 -6.8983 -6.8899 -6.8898 -6.8861 5.6577 5.6928 8.2996 8.5377 8.5766 8.8856 9.0157 9.2462 9.8131 10.0895 10.3312 10.4206 10.7396 10.8775 11.0605 11.2855 12.7293 12.7641 14.7470 14.8498 14.8648 14.9174 14.9592 15.0466 15.0800 15.1198 k = 0.5000-0.0222 0.5967 ( 4748 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7125 -19.7123 -19.7113 -7.9279 -7.9243 -7.9235 -7.9182 -6.9046 -6.9020 -6.8983 -6.8898 -6.8898 -6.8862 5.6585 5.6939 8.3264 8.5466 8.5805 8.8376 9.0137 9.2450 9.8194 10.0893 10.3443 10.4067 10.7727 10.9144 11.0094 11.2382 12.7327 12.7669 14.7663 14.8617 14.8668 14.9282 14.9596 15.0390 15.0694 15.1113 k = 0.5000-0.0111 0.6045 ( 4732 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7125 -19.7123 -19.7113 -7.9280 -7.9243 -7.9234 -7.9182 -6.9046 -6.9019 -6.8983 -6.8899 -6.8897 -6.8862 5.6590 5.6946 8.3470 8.5242 8.6170 8.7980 9.0125 9.2443 9.8233 10.0892 10.3563 10.3941 10.8024 10.9429 10.9689 11.2034 12.7348 12.7685 14.7812 14.8551 14.8788 14.9340 14.9620 15.0355 15.0609 15.1053 k = 0.5000-0.0000 0.6124 ( 4732 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7125 -19.7123 -19.7113 -7.9280 -7.9243 -7.9234 -7.9182 -6.9046 -6.9019 -6.8983 -6.8899 -6.8897 -6.8862 5.6592 5.6949 8.3551 8.5154 8.6334 8.7805 9.0121 9.2441 9.8246 10.0891 10.3628 10.3874 10.8163 10.9514 10.9543 11.1899 12.7355 12.7691 14.7874 14.8515 14.8833 14.9356 14.9632 15.0349 15.0573 15.1032 k = 0.5000-0.0000 0.6124 ( 4732 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7125 -19.7123 -19.7113 -7.9280 -7.9243 -7.9234 -7.9182 -6.9046 -6.9019 -6.8983 -6.8899 -6.8897 -6.8862 5.6592 5.6949 8.3551 8.5154 8.6334 8.7805 9.0121 9.2441 9.8246 10.0891 10.3628 10.3874 10.8163 10.9514 10.9543 11.1899 12.7355 12.7691 14.7874 14.8515 14.8833 14.9356 14.9632 15.0349 15.0573 15.1032 k = 0.4934 0.0114 0.6124 ( 4732 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7125 -19.7123 -19.7113 -7.9280 -7.9243 -7.9234 -7.9182 -6.9046 -6.9019 -6.8983 -6.8899 -6.8896 -6.8862 5.6587 5.6944 8.3514 8.5185 8.6252 8.7890 9.0127 9.2443 9.8232 10.0889 10.3548 10.3905 10.8151 10.9485 10.9594 11.1992 12.7350 12.7687 14.7840 14.8533 14.8823 14.9333 14.9627 15.0355 15.0615 15.1082 k = 0.4868 0.0228 0.6124 ( 4742 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7126 -19.7122 -19.7113 -7.9279 -7.9244 -7.9234 -7.9182 -6.9046 -6.9019 -6.8983 -6.8900 -6.8896 -6.8862 5.6574 5.6930 8.3413 8.5264 8.6063 8.8098 9.0144 9.2448 9.8190 10.0879 10.3322 10.3986 10.8119 10.9350 10.9802 11.2242 12.7335 12.7675 14.7740 14.8587 14.8791 14.9272 14.9633 15.0392 15.0709 15.1209 k = 0.4803 0.0342 0.6124 ( 4749 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7126 -19.7122 -19.7112 -7.9279 -7.9244 -7.9233 -7.9183 -6.9046 -6.9019 -6.8983 -6.8901 -6.8896 -6.8862 5.6554 5.6908 8.3269 8.5348 8.5861 8.8358 9.0169 9.2457 9.8121 10.0859 10.3004 10.4087 10.8073 10.9166 11.0131 11.2599 12.7307 12.7655 14.7588 14.8643 14.8747 14.9216 14.9666 15.0466 15.0835 15.1381 k = 0.4737 0.0456 0.6124 ( 4752 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7153 -19.7127 -19.7122 -19.7112 -7.9279 -7.9245 -7.9233 -7.9183 -6.9045 -6.9020 -6.8982 -6.8902 -6.8896 -6.8861 5.6528 5.6881 8.3099 8.5314 8.5789 8.8634 9.0202 9.2470 9.8027 10.0824 10.2633 10.4194 10.8018 10.8969 11.0549 11.3022 12.7267 12.7625 14.7403 14.8568 14.8803 14.9212 14.9723 15.0564 15.0981 15.1576 k = 0.4671 0.0570 0.6124 ( 4756 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7153 -19.7127 -19.7122 -19.7111 -7.9278 -7.9246 -7.9232 -7.9183 -6.9045 -6.9020 -6.8982 -6.8903 -6.8895 -6.8860 5.6498 5.6849 8.2917 8.5119 8.5900 8.8910 9.0240 9.2487 9.7909 10.0762 10.2245 10.4306 10.7955 10.8781 11.1027 11.3482 12.7213 12.7586 14.7202 14.8410 14.8914 14.9266 14.9800 15.0676 15.1144 15.1786 k = 0.4605 0.0684 0.6124 ( 4754 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7153 -19.7128 -19.7121 -19.7111 -7.9278 -7.9247 -7.9231 -7.9184 -6.9045 -6.9021 -6.8982 -6.8904 -6.8895 -6.8859 5.6464 5.6813 8.2731 8.4880 8.6077 8.9177 9.0280 9.2510 9.7770 10.0648 10.1881 10.4419 10.7886 10.8611 11.1546 11.3962 12.7146 12.7537 14.6995 14.8229 14.9040 14.9364 14.9889 15.0795 15.1320 15.2003 k = 0.4539 0.0798 0.6124 ( 4752 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7153 -19.7128 -19.7121 -19.7110 -7.9277 -7.9248 -7.9230 -7.9184 -6.9045 -6.9022 -6.8982 -6.8906 -6.8895 -6.8858 5.6429 5.6776 8.2547 8.4641 8.6278 8.9430 9.0320 9.2542 9.7616 10.0443 10.1593 10.4532 10.7811 10.8463 11.2086 11.4451 12.7064 12.7479 14.6790 14.8043 14.9175 14.9491 14.9987 15.0913 15.1509 15.2228 k = 0.4474 0.0912 0.6124 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7129 -19.7121 -19.7109 -7.9277 -7.9250 -7.9229 -7.9185 -6.9045 -6.9022 -6.8981 -6.8907 -6.8895 -6.8856 5.6393 5.6737 8.2368 8.4413 8.6491 8.9665 9.0354 9.2587 9.7451 10.0128 10.1411 10.4644 10.7735 10.8335 11.2636 11.4937 12.6970 12.7413 14.6593 14.7860 14.9316 14.9638 15.0090 15.1029 15.1711 15.2459 k = 0.4408 0.1026 0.6124 ( 4774 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7129 -19.7121 -19.7109 -7.9276 -7.9251 -7.9228 -7.9186 -6.9044 -6.9023 -6.8981 -6.8909 -6.8895 -6.8855 5.6357 5.6698 8.2199 8.4200 8.6714 8.9879 9.0378 9.2651 9.7279 9.9731 10.1314 10.4754 10.7661 10.8224 11.3181 11.5414 12.6863 12.7338 14.6408 14.7686 14.9457 14.9797 15.0192 15.1137 15.1924 15.2696 k = 0.4342 0.1140 0.6124 ( 4772 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7130 -19.7120 -19.7108 -7.9275 -7.9252 -7.9226 -7.9186 -6.9044 -6.9024 -6.8980 -6.8911 -6.8895 -6.8854 5.6322 5.6661 8.2041 8.4005 8.6944 9.0067 9.0387 9.2738 9.7105 9.9293 10.1264 10.4860 10.7593 10.8126 11.3713 11.5874 12.6747 12.7258 14.6236 14.7523 14.9592 14.9962 15.0292 15.1236 15.2147 15.2936 k = 0.4276 0.1253 0.6124 ( 4764 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7154 -19.7130 -19.7120 -19.7107 -7.9274 -7.9254 -7.9225 -7.9187 -6.9043 -6.9025 -6.8979 -6.8912 -6.8895 -6.8853 5.6288 5.6625 8.1896 8.3829 8.7179 9.0216 9.0388 9.2854 9.6934 9.8842 10.1238 10.4961 10.7534 10.8037 11.4222 11.6309 12.6623 12.7173 14.6080 14.7373 14.9718 15.0126 15.0387 15.1325 15.2376 15.3175 k = 0.4211 0.1367 0.6124 ( 4765 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7131 -19.7120 -19.7107 -7.9273 -7.9255 -7.9224 -7.9188 -6.9043 -6.9026 -6.8979 -6.8914 -6.8895 -6.8852 5.6257 5.6591 8.1765 8.3672 8.7419 9.0258 9.0445 9.3002 9.6767 9.8394 10.1226 10.5054 10.7485 10.7955 11.4700 11.6713 12.6495 12.7087 14.5941 14.7238 14.9831 15.0280 15.0477 15.1402 15.2606 15.3405 k = 0.4145 0.1481 0.6124 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7131 -19.7119 -19.7106 -7.9272 -7.9257 -7.9223 -7.9189 -6.9042 -6.9027 -6.8978 -6.8916 -6.8895 -6.8851 5.6228 5.6561 8.1649 8.3535 8.7663 9.0196 9.0553 9.3182 9.6606 9.7962 10.1222 10.5140 10.7450 10.7878 11.5136 11.7081 12.6368 12.7001 14.5820 14.7120 14.9930 15.0416 15.0562 15.1467 15.2826 15.3615 k = 0.4079 0.1595 0.6124 ( 4758 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7132 -19.7119 -19.7106 -7.9271 -7.9258 -7.9222 -7.9190 -6.9042 -6.9028 -6.8978 -6.8917 -6.8895 -6.8850 5.6203 5.6534 8.1550 8.3419 8.7908 9.0089 9.0654 9.3392 9.6446 9.7559 10.1221 10.5215 10.7427 10.7805 11.5525 11.7405 12.6246 12.6920 14.5717 14.7018 15.0014 15.0524 15.0647 15.1519 15.3027 15.3788 k = 0.4013 0.1709 0.6124 ( 4756 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9270 -7.9259 -7.9221 -7.9190 -6.9041 -6.9029 -6.8977 -6.8919 -6.8895 -6.8849 5.6183 5.6512 8.1468 8.3324 8.8155 8.9951 9.0738 9.3624 9.6278 9.7204 10.1223 10.5280 10.7417 10.7736 11.5857 11.7679 12.6135 12.6846 14.5632 14.6934 15.0084 15.0599 15.0732 15.1560 15.3197 15.3917 k = 0.3947 0.1823 0.6124 ( 4760 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9269 -7.9261 -7.9220 -7.9191 -6.9041 -6.9030 -6.8977 -6.8920 -6.8895 -6.8849 5.6166 5.6494 8.1404 8.3249 8.8398 8.9787 9.0803 9.3871 9.6085 9.6924 10.1225 10.5331 10.7420 10.7672 11.6125 11.7900 12.6041 12.6784 14.5566 14.6869 15.0138 15.0650 15.0807 15.1591 15.3330 15.4002 k = 0.3882 0.1937 0.6124 ( 4764 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9268 -7.9262 -7.9220 -7.9191 -6.9040 -6.9031 -6.8976 -6.8920 -6.8895 -6.8848 5.6154 5.6481 8.1358 8.3196 8.8635 8.9606 9.0850 9.4115 9.5867 9.6736 10.1227 10.5369 10.7433 10.7615 11.6322 11.8061 12.5969 12.6737 14.5519 14.6821 15.0176 15.0684 15.0864 15.1612 15.3424 15.4054 k = 0.3816 0.2051 0.6124 ( 4764 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9267 -7.9263 -7.9219 -7.9192 -6.9040 -6.9031 -6.8976 -6.8921 -6.8895 -6.8848 5.6146 5.6473 8.1330 8.3164 8.8851 8.9423 9.0878 9.4318 9.5668 9.6635 10.1229 10.5392 10.7454 10.7567 11.6442 11.8159 12.5923 12.6708 14.5490 14.6793 15.0199 15.0703 15.0900 15.1624 15.3478 15.4082 k = 0.3750 0.2165 0.6124 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9266 -7.9264 -7.9219 -7.9192 -6.9040 -6.9032 -6.8976 -6.8921 -6.8895 -6.8848 5.6144 5.6470 8.1321 8.3154 8.8970 8.9314 9.0888 9.4405 9.5580 9.6603 10.1229 10.5399 10.7468 10.7544 11.6483 11.8192 12.5908 12.6697 14.5481 14.6783 15.0207 15.0709 15.0912 15.1628 15.3497 15.4091 k = 0.3750 0.2165 0.6124 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9266 -7.9264 -7.9219 -7.9192 -6.9040 -6.9032 -6.8976 -6.8921 -6.8895 -6.8848 5.6144 5.6470 8.1321 8.3154 8.8970 8.9314 9.0888 9.4405 9.5580 9.6603 10.1229 10.5399 10.7468 10.7544 11.6483 11.8192 12.5908 12.6697 14.5481 14.6783 15.0207 15.0709 15.0912 15.1628 15.3497 15.4091 k = 0.3682 0.2126 0.6012 ( 4770 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9267 -7.9263 -7.9217 -7.9192 -6.9037 -6.9030 -6.8976 -6.8920 -6.8897 -6.8848 5.6073 5.6409 8.1543 8.3492 8.8712 8.8970 9.0736 9.4176 9.5422 9.6383 10.1283 10.5329 10.7687 10.7822 11.6274 11.7849 12.6036 12.6838 14.5593 14.6868 15.0178 15.0852 15.1210 15.1712 15.3800 15.4120 k = 0.3614 0.2086 0.5901 ( 4770 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7133 -19.7118 -19.7105 -7.9267 -7.9261 -7.9214 -7.9192 -6.9035 -6.9028 -6.8975 -6.8918 -6.8899 -6.8848 5.5984 5.6327 8.1764 8.3823 8.8438 8.8589 9.0609 9.3986 9.5186 9.6255 10.1359 10.5260 10.7793 10.8164 11.6143 11.7554 12.6174 12.6988 14.5699 14.6934 15.0169 15.0942 15.1442 15.1813 15.3983 15.4162 k = 0.3545 0.2047 0.5790 ( 4774 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7133 -19.7117 -19.7105 -7.9268 -7.9260 -7.9212 -7.9193 -6.9033 -6.9026 -6.8975 -6.8917 -6.8900 -6.8847 5.5873 5.6221 8.1979 8.4139 8.8153 8.8179 9.0515 9.3833 9.4901 9.6196 10.1457 10.5194 10.7860 10.8491 11.6092 11.7310 12.6323 12.7146 14.5799 14.6982 15.0188 15.1001 15.1622 15.1934 15.4128 15.4219 k = 0.3477 0.2008 0.5678 ( 4780 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7154 -19.7134 -19.7117 -19.7105 -7.9268 -7.9259 -7.9209 -7.9193 -6.9031 -6.9025 -6.8974 -6.8916 -6.8902 -6.8847 5.5738 5.6090 8.2184 8.4431 8.7748 8.7864 9.0461 9.3714 9.4600 9.6179 10.1575 10.5130 10.7889 10.8798 11.6118 11.7122 12.6481 12.7312 14.5890 14.7013 15.0241 15.1041 15.1764 15.2081 15.4274 15.4294 k = 0.3409 0.1968 0.5567 ( 4776 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7135 -19.7116 -19.7105 -7.9268 -7.9258 -7.9207 -7.9194 -6.9029 -6.9024 -6.8974 -6.8915 -6.8904 -6.8847 5.5578 5.5931 8.2373 8.4687 8.7310 8.7579 9.0452 9.3626 9.4299 9.6188 10.1710 10.5070 10.7884 10.9081 11.6216 11.6992 12.6649 12.7486 14.5972 14.7028 15.0331 15.1067 15.1878 15.2255 15.4388 15.4436 k = 0.3341 0.1929 0.5456 ( 4778 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7135 -19.7114 -19.7105 -7.9268 -7.9257 -7.9205 -7.9195 -6.9027 -6.9023 -6.8973 -6.8914 -6.8906 -6.8847 5.5389 5.5742 8.2543 8.4893 8.6883 8.7308 9.0493 9.3566 9.4009 9.6215 10.1861 10.5013 10.7853 10.9336 11.6378 11.6923 12.6827 12.7667 14.6044 14.7030 15.0459 15.1082 15.1974 15.2459 15.4500 15.4620 k = 0.3273 0.1890 0.5344 ( 4776 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7136 -19.7113 -19.7105 -7.9268 -7.9255 -7.9203 -7.9196 -6.9026 -6.9022 -6.8972 -6.8914 -6.8907 -6.8847 5.5171 5.5521 8.2686 8.5028 8.6490 8.7063 9.0586 9.3532 9.3731 9.6259 10.2024 10.4959 10.7804 10.9562 11.6595 11.6917 12.7013 12.7855 14.6107 14.7021 15.0624 15.1087 15.2058 15.2692 15.4633 15.4829 k = 0.3205 0.1850 0.5233 ( 4776 PWs) bands (ev): -43.6835 -43.6832 -20.3679 -20.3657 -19.7152 -19.7137 -19.7112 -19.7105 -7.9268 -7.9254 -7.9201 -7.9198 -6.9025 -6.9022 -6.8971 -6.8914 -6.8908 -6.8847 5.4921 5.5267 8.2797 8.5054 8.6171 8.6854 9.0732 9.3469 9.3524 9.6316 10.2194 10.4909 10.7748 10.9757 11.6860 11.6973 12.7209 12.8051 14.6162 14.7004 15.0822 15.1085 15.2140 15.2954 15.4787 15.5065 k = 0.3136 0.1811 0.5122 ( 4766 PWs) bands (ev): -43.6835 -43.6832 -20.3679 -20.3657 -19.7152 -19.7137 -19.7111 -19.7105 -7.9268 -7.9253 -7.9199 -7.9199 -6.9023 -6.9022 -6.8970 -6.8914 -6.8909 -6.8847 5.4638 5.4977 8.2871 8.4932 8.5973 8.6690 9.0924 9.3223 9.3543 9.6386 10.2363 10.4862 10.7697 10.9925 11.7089 11.7163 12.7412 12.8253 14.6213 14.6983 15.1044 15.1075 15.2229 15.3243 15.4962 15.5329 k = 0.3068 0.1771 0.5010 ( 4770 PWs) bands (ev): -43.6835 -43.6832 -20.3679 -20.3657 -19.7151 -19.7138 -19.7110 -19.7105 -7.9268 -7.9252 -7.9201 -7.9197 -6.9023 -6.9022 -6.8969 -6.8915 -6.8909 -6.8847 5.4321 5.4652 8.2908 8.4687 8.5879 8.6575 9.1153 9.2992 9.3593 9.6466 10.2524 10.4817 10.7665 11.0067 11.7262 11.7497 12.7624 12.8461 14.6261 14.6959 15.1060 15.1273 15.2343 15.3559 15.5159 15.5621 k = 0.3000 0.1732 0.4899 ( 4766 PWs) bands (ev): -43.6835 -43.6833 -20.3678 -20.3657 -19.7151 -19.7138 -19.7109 -19.7104 -7.9267 -7.9252 -7.9202 -7.9195 -6.9022 -6.9022 -6.8968 -6.8917 -6.8909 -6.8847 5.3971 5.4291 8.2910 8.4389 8.5829 8.6511 9.1402 9.2778 9.3679 9.6557 10.2668 10.4776 10.7666 11.0191 11.7487 11.7857 12.7843 12.8675 14.6310 14.6935 15.1038 15.1480 15.2510 15.3901 15.5377 15.5939 k = 0.2932 0.1693 0.4788 ( 4762 PWs) bands (ev): -43.6835 -43.6833 -20.3678 -20.3657 -19.7150 -19.7138 -19.7108 -19.7104 -7.9267 -7.9251 -7.9204 -7.9194 -6.9023 -6.9022 -6.8966 -6.8918 -6.8909 -6.8847 5.3586 5.3894 8.2885 8.4085 8.5784 8.6492 9.1654 9.2579 9.3809 9.6656 10.2784 10.4737 10.7712 11.0302 11.7758 11.8237 12.8068 12.8895 14.6362 14.6913 15.1011 15.1638 15.2757 15.4270 15.5618 15.6284 k = 0.2864 0.1653 0.4676 ( 4778 PWs) bands (ev): -43.6835 -43.6833 -20.3678 -20.3657 -19.7149 -19.7139 -19.7106 -19.7104 -7.9266 -7.9250 -7.9206 -7.9193 -6.9024 -6.9022 -6.8965 -6.8920 -6.8909 -6.8848 5.3168 5.3462 8.2842 8.3798 8.5732 8.6510 9.1887 9.2396 9.3993 9.6763 10.2863 10.4699 10.7816 11.0409 11.8069 11.8632 12.8300 12.9119 14.6420 14.6896 15.0979 15.1738 15.3090 15.4664 15.5881 15.6651 k = 0.2795 0.1614 0.4565 ( 4764 PWs) bands (ev): -43.6835 -43.6833 -20.3677 -20.3657 -19.7149 -19.7139 -19.7105 -19.7103 -7.9265 -7.9250 -7.9208 -7.9192 -6.9025 -6.9022 -6.8964 -6.8921 -6.8909 -6.8848 5.2717 5.2997 8.2791 8.3537 8.5671 8.6556 9.2087 9.2228 9.4237 9.6877 10.2897 10.4661 10.7987 11.0519 11.8415 11.9041 12.8538 12.9347 14.6484 14.6884 15.0942 15.1793 15.3496 15.5085 15.6165 15.7040 k = 0.2727 0.1575 0.4454 ( 4760 PWs) bands (ev): -43.6835 -43.6833 -20.3677 -20.3657 -19.7148 -19.7139 -19.7104 -19.7103 -7.9264 -7.9249 -7.9210 -7.9191 -6.9026 -6.9022 -6.8963 -6.8923 -6.8910 -6.8848 5.2235 5.2500 8.2742 8.3306 8.5603 8.6619 9.2075 9.2246 9.4537 9.6996 10.2884 10.4624 10.8229 11.0640 11.8791 11.9460 12.8782 12.9579 14.6557 14.6878 15.0900 15.1817 15.3958 15.5531 15.6472 15.7448 k = 0.2659 0.1535 0.4342 ( 4756 PWs) bands (ev): -43.6835 -43.6834 -20.3676 -20.3657 -19.7147 -19.7138 -19.7103 -19.7102 -7.9264 -7.9249 -7.9212 -7.9190 -6.9027 -6.9022 -6.8962 -6.8925 -6.8910 -6.8849 5.1725 5.1974 8.2703 8.3109 8.5528 8.6692 9.1938 9.2365 9.4885 9.7121 10.2826 10.4585 10.8542 11.0778 11.9193 11.9888 12.9030 12.9815 14.6639 14.6881 15.0853 15.1821 15.4463 15.6005 15.6801 15.7870 k = 0.2591 0.1496 0.4231 ( 4754 PWs) bands (ev): -43.6836 -43.6834 -20.3675 -20.3657 -19.7146 -19.7138 -19.7102 -19.7101 -7.9263 -7.9249 -7.9214 -7.9190 -6.9028 -6.9023 -6.8961 -6.8926 -6.8911 -6.8849 5.1188 5.1421 8.2678 8.2944 8.5452 8.6769 9.1815 9.2450 9.5267 9.7249 10.2727 10.4544 10.8922 11.0941 11.9616 12.0323 12.9281 13.0053 14.6731 14.6891 15.0803 15.1811 15.5002 15.6504 15.7152 15.8304 k = 0.2523 0.1456 0.4120 ( 4754 PWs) bands (ev): -43.6836 -43.6834 -20.3675 -20.3657 -19.7144 -19.7137 -19.7101 -19.7101 -7.9262 -7.9249 -7.9217 -7.9189 -6.9030 -6.9024 -6.8960 -6.8928 -6.8912 -6.8850 5.0627 5.0844 8.2670 8.2811 8.5374 8.6845 9.1706 9.2509 9.5668 9.7380 10.2593 10.4500 10.9362 11.1135 12.0058 12.0765 12.9537 13.0293 14.6833 14.6911 15.0748 15.1790 15.5568 15.7029 15.7526 15.8747 k = 0.2455 0.1417 0.4008 ( 4760 PWs) bands (ev): -43.6836 -43.6834 -20.3674 -20.3657 -19.7143 -19.7137 -19.7100 -19.7100 -7.9261 -7.9249 -7.9219 -7.9189 -6.9031 -6.9025 -6.8959 -6.8930 -6.8913 -6.8851 5.0045 5.0246 8.2682 8.2710 8.5298 8.6917 9.1610 9.2547 9.6076 9.7513 10.2433 10.4452 10.9856 11.1364 12.0518 12.1214 12.9795 13.0535 14.6939 14.6945 15.0691 15.1761 15.6154 15.7578 15.7925 15.9196 k = 0.2386 0.1378 0.3897 ( 4756 PWs) bands (ev): -43.6836 -43.6834 -20.3673 -20.3657 -19.7142 -19.7136 -19.7099 -19.7099 -7.9260 -7.9249 -7.9221 -7.9189 -6.9033 -6.9026 -6.8958 -6.8932 -6.8914 -6.8852 4.9446 4.9630 8.2638 8.2714 8.5225 8.6983 9.1527 9.2569 9.6481 9.7646 10.2252 10.4399 11.0398 11.1635 12.0992 12.1668 13.0055 13.0777 14.6976 14.7066 15.0631 15.1725 15.6750 15.8149 15.8353 15.9648 k = 0.2318 0.1338 0.3786 ( 4752 PWs) bands (ev): -43.6836 -43.6835 -20.3672 -20.3657 -19.7140 -19.7135 -19.7099 -19.7098 -7.9259 -7.9250 -7.9223 -7.9190 -6.9035 -6.9027 -6.8957 -6.8934 -6.8916 -6.8854 4.8831 4.8999 8.2593 8.2766 8.5157 8.7041 9.1456 9.2578 9.6876 9.7778 10.2056 10.4340 11.0983 11.1950 12.1479 12.2129 13.0316 13.1019 14.7021 14.7197 15.0569 15.1683 15.7343 15.8738 15.8819 16.0103 k = 0.2250 0.1299 0.3674 ( 4746 PWs) bands (ev): -43.6836 -43.6835 -20.3671 -20.3657 -19.7139 -19.7134 -19.7098 -19.7097 -7.9258 -7.9250 -7.9225 -7.9190 -6.9036 -6.9029 -6.8956 -6.8936 -6.8918 -6.8855 4.8204 4.8357 8.2572 8.2837 8.5094 8.7092 9.1395 9.2576 9.7255 9.7909 10.1850 10.4274 11.1604 11.2313 12.1978 12.2596 13.0579 13.1260 14.7074 14.7335 15.0506 15.1638 15.7919 15.9332 15.9336 16.0566 k = 0.2182 0.1260 0.3563 ( 4750 PWs) bands (ev): -43.6837 -43.6835 -20.3670 -20.3657 -19.7137 -19.7133 -19.7097 -19.7096 -7.9257 -7.9251 -7.9227 -7.9191 -6.9038 -6.9030 -6.8955 -6.8938 -6.8919 -6.8857 4.7568 4.7707 8.2575 8.2924 8.5037 8.7134 9.1344 9.2565 9.7614 9.8037 10.1637 10.4202 11.2260 11.2725 12.2488 12.3069 13.0841 13.1500 14.7136 14.7481 15.0443 15.1589 15.8460 15.9905 15.9927 16.1046 k = 0.2114 0.1220 0.3452 ( 4758 PWs) bands (ev): -43.6837 -43.6836 -20.3669 -20.3657 -19.7136 -19.7132 -19.7097 -19.7095 -7.9256 -7.9252 -7.9229 -7.9192 -6.9040 -6.9032 -6.8955 -6.8939 -6.8921 -6.8859 4.6926 4.7052 8.2597 8.3027 8.4987 8.7169 9.1301 9.2546 9.7948 9.8161 10.1422 10.4123 11.2945 11.3188 12.3007 12.3548 13.1102 13.1738 14.7205 14.7632 15.0379 15.1537 15.8959 16.0489 16.0541 16.1564 k = 0.2045 0.1181 0.3340 ( 4758 PWs) bands (ev): -43.6837 -43.6836 -20.3668 -20.3657 -19.7134 -19.7130 -19.7096 -19.7095 -7.9255 -7.9253 -7.9231 -7.9193 -6.9042 -6.9034 -6.8954 -6.8941 -6.8924 -6.8861 4.6282 4.6395 8.2637 8.3143 8.4944 8.7196 9.1266 9.2521 9.8257 9.8279 10.1207 10.4037 11.3656 11.3702 12.3535 12.4033 13.1361 13.1973 14.7280 14.7789 15.0317 15.1484 15.9413 16.0993 16.1237 16.2144 k = 0.1977 0.1142 0.3229 ( 4758 PWs) bands (ev): -43.6837 -43.6836 -20.3667 -20.3656 -19.7132 -19.7129 -19.7095 -19.7094 -7.9254 -7.9253 -7.9232 -7.9194 -6.9044 -6.9036 -6.8954 -6.8943 -6.8926 -6.8863 4.5637 4.5739 8.2692 8.3271 8.4909 8.7217 9.1239 9.2490 9.8390 9.8538 10.0995 10.3943 11.4264 11.4392 12.4071 12.4524 13.1618 13.2204 14.7361 14.7950 15.0258 15.1430 15.9831 16.1427 16.1982 16.2796 k = 0.1909 0.1102 0.3118 ( 4766 PWs) bands (ev): -43.6837 -43.6836 -20.3666 -20.3656 -19.7130 -19.7127 -19.7095 -19.7093 -7.9255 -7.9253 -7.9234 -7.9196 -6.9045 -6.9038 -6.8953 -6.8945 -6.8928 -6.8866 4.4995 4.5085 8.2761 8.3408 8.4881 8.7231 9.1218 9.2455 9.8494 9.8791 10.0788 10.3843 11.4874 11.5149 12.4612 12.5020 13.1872 13.2431 14.7448 14.8114 15.0201 15.1377 16.0217 16.1797 16.2767 16.3512 k = 0.1841 0.1063 0.3006 ( 4766 PWs) bands (ev): -43.6838 -43.6837 -20.3665 -20.3656 -19.7128 -19.7125 -19.7094 -19.7093 -7.9256 -7.9252 -7.9236 -7.9197 -6.9047 -6.9040 -6.8953 -6.8947 -6.8931 -6.8869 4.4357 4.4438 8.2840 8.3551 8.4862 8.7239 9.1204 9.2416 9.8589 9.9017 10.0589 10.3736 11.5528 11.5925 12.5157 12.5520 13.2122 13.2653 14.7541 14.8281 15.0148 15.1324 16.0578 16.2119 16.3583 16.4275 k = 0.1773 0.1023 0.2895 ( 4762 PWs) bands (ev): -43.6838 -43.6837 -20.3664 -20.3656 -19.7126 -19.7124 -19.7093 -19.7092 -7.9257 -7.9252 -7.9237 -7.9199 -6.9049 -6.9042 -6.8953 -6.8949 -6.8933 -6.8872 4.3727 4.3798 8.2929 8.3700 8.4849 8.7241 9.1196 9.2375 9.8673 9.9217 10.0400 10.3622 11.6224 11.6718 12.5705 12.6023 13.2367 13.2869 14.7637 14.8448 15.0100 15.1273 16.0918 16.2403 16.4424 16.5075 k = 0.1705 0.0984 0.2784 ( 4758 PWs) bands (ev): -43.6838 -43.6837 -20.3663 -20.3655 -19.7124 -19.7122 -19.7093 -19.7091 -7.9258 -7.9251 -7.9239 -7.9201 -6.9051 -6.9044 -6.8953 -6.8951 -6.8936 -6.8875 4.3106 4.3168 8.3025 8.3852 8.4845 8.7237 9.1195 9.2334 9.8746 9.9391 10.0223 10.3502 11.6956 11.7525 12.6254 12.6529 13.2607 13.3079 14.7738 14.8615 15.0059 15.1224 16.1241 16.2659 16.5284 16.5902 k = 0.1636 0.0945 0.2672 ( 4758 PWs) bands (ev): -43.6838 -43.6838 -20.3662 -20.3655 -19.7122 -19.7120 -19.7092 -19.7091 -7.9259 -7.9250 -7.9241 -7.9203 -6.9052 -6.9046 -6.8953 -6.8952 -6.8939 -6.8878 4.2496 4.2551 8.3126 8.4005 8.4847 8.7227 9.1201 9.2292 9.8806 9.9542 10.0060 10.3376 11.7722 11.8343 12.6801 12.7035 13.2840 13.3283 14.7842 14.8781 15.0023 15.1179 16.1550 16.2894 16.6159 16.6752 k = 0.1568 0.0905 0.2561 ( 4768 PWs) bands (ev): -43.6839 -43.6838 -20.3661 -20.3655 -19.7119 -19.7118 -19.7092 -19.7090 -7.9260 -7.9250 -7.9242 -7.9205 -6.9054 -6.9048 -6.8954 -6.8952 -6.8941 -6.8882 4.1900 4.1947 8.3232 8.4157 8.4856 8.7212 9.1214 9.2251 9.8851 9.9671 9.9914 10.3244 11.8516 11.9171 12.7345 12.7541 13.3067 13.3479 14.7950 14.8946 14.9996 15.1137 16.1849 16.3114 16.7044 16.7619 k = 0.1500 0.0866 0.2449 ( 4776 PWs) bands (ev): -43.6839 -43.6838 -20.3660 -20.3654 -19.7117 -19.7116 -19.7091 -19.7090 -7.9261 -7.9250 -7.9243 -7.9207 -6.9055 -6.9050 -6.8956 -6.8953 -6.8944 -6.8885 4.1318 4.1359 8.3342 8.4307 8.4871 8.7191 9.1234 9.2212 9.8880 9.9779 9.9789 10.3107 11.9334 12.0005 12.7883 12.8043 13.3287 13.3667 14.8061 14.9107 14.9976 15.1100 16.2145 16.3327 16.7934 16.8497 k = 0.1432 0.0827 0.2338 ( 4784 PWs) bands (ev): -43.6839 -43.6838 -20.3659 -20.3654 -19.7115 -19.7114 -19.7090 -19.7089 -7.9262 -7.9249 -7.9245 -7.9209 -6.9057 -6.9052 -6.8957 -6.8953 -6.8947 -6.8889 4.0753 4.0789 8.3453 8.4453 8.4891 8.7163 9.1261 9.2177 9.8890 9.9686 9.9869 10.2965 12.0172 12.0843 12.8413 12.8541 13.3498 13.3848 14.8176 14.9265 14.9964 15.1068 16.2441 16.3538 16.8824 16.9382 k = 0.1364 0.0787 0.2227 ( 4783 PWs) bands (ev): -43.6839 -43.6839 -20.3658 -20.3654 -19.7113 -19.7112 -19.7090 -19.7089 -7.9263 -7.9249 -7.9246 -7.9212 -6.9059 -6.9054 -6.8959 -6.8953 -6.8949 -6.8893 4.0206 4.0237 8.3565 8.4594 8.4917 8.7129 9.1296 9.2144 9.8881 9.9607 9.9941 10.2819 12.1023 12.1681 12.8933 12.9031 13.3702 13.4021 14.8294 14.9418 14.9961 15.1041 16.2742 16.3754 16.9707 17.0268 k = 0.1295 0.0748 0.2115 ( 4789 PWs) bands (ev): -43.6839 -43.6839 -20.3657 -20.3653 -19.7110 -19.7110 -19.7089 -19.7088 -7.9264 -7.9249 -7.9247 -7.9214 -6.9060 -6.9056 -6.8960 -6.8953 -6.8952 -6.8897 3.9679 3.9704 8.3679 8.4729 8.4946 8.7088 9.1339 9.2117 9.8856 9.9551 9.9997 10.2668 12.1882 12.2516 12.9440 12.9514 13.3898 13.4187 14.8415 14.9566 14.9967 15.1020 16.3055 16.3980 17.0577 17.1149 k = 0.1227 0.0709 0.2004 ( 4789 PWs) bands (ev): -43.6840 -43.6839 -20.3656 -20.3653 -19.7108 -19.7108 -19.7089 -19.7088 -7.9264 -7.9249 -7.9249 -7.9217 -6.9062 -6.9058 -6.8962 -6.8954 -6.8954 -6.8901 3.9172 3.9193 8.3792 8.4857 8.4979 8.7042 9.1388 9.2094 9.8819 9.9513 10.0039 10.2513 12.2744 12.3344 12.9932 12.9986 13.4084 13.4344 14.8540 14.9708 14.9980 15.1004 16.3384 16.4223 17.1427 17.2017 k = 0.1159 0.0669 0.1893 ( 4791 PWs) bands (ev): -43.6840 -43.6840 -20.3655 -20.3652 -19.7106 -19.7106 -19.7088 -19.7088 -7.9265 -7.9250 -7.9249 -7.9219 -6.9063 -6.9060 -6.8963 -6.8956 -6.8954 -6.8905 3.8686 3.8704 8.3905 8.4977 8.5014 8.6989 9.1444 9.2077 9.8779 9.9488 10.0068 10.2354 12.3603 12.4161 13.0409 13.0446 13.4263 13.4493 14.8667 14.9843 15.0002 15.0993 16.3735 16.4487 17.2248 17.2864 k = 0.1091 0.0630 0.1781 ( 4791 PWs) bands (ev): -43.6840 -43.6840 -20.3654 -20.3652 -19.7104 -19.7104 -19.7088 -19.7087 -7.9265 -7.9251 -7.9249 -7.9222 -6.9064 -6.9062 -6.8965 -6.8958 -6.8954 -6.8910 3.8224 3.8239 8.4017 8.5051 8.5088 8.6930 9.1506 9.2066 9.8739 9.9471 10.0085 10.2192 12.4452 12.4960 13.0868 13.0893 13.4432 13.4635 14.8799 14.9970 15.0032 15.0987 16.4111 16.4778 17.3034 17.3682 k = 0.1023 0.0590 0.1670 ( 4787 PWs) bands (ev): -43.6840 -43.6840 -20.3654 -20.3652 -19.7102 -19.7102 -19.7088 -19.7087 -7.9266 -7.9252 -7.9249 -7.9224 -6.9066 -6.9063 -6.8966 -6.8960 -6.8955 -6.8914 3.7785 3.7797 8.4128 8.5090 8.5190 8.6866 9.1573 9.2061 9.8706 9.9459 10.0092 10.2028 12.5283 12.5738 13.1311 13.1328 13.4593 13.4769 14.8933 15.0067 15.0089 15.0986 16.4516 16.5100 17.3775 17.4460 k = 0.0955 0.0551 0.1559 ( 4783 PWs) bands (ev): -43.6840 -43.6840 -20.3653 -20.3651 -19.7100 -19.7100 -19.7087 -19.7087 -7.9266 -7.9253 -7.9249 -7.9227 -6.9067 -6.9065 -6.8967 -6.8962 -6.8956 -6.8918 3.7371 3.7380 8.4239 8.5130 8.5283 8.6797 9.1643 9.2062 9.8681 9.9449 10.0089 10.1861 12.6090 12.6487 13.1736 13.1750 13.4745 13.4896 14.9070 15.0109 15.0199 15.0989 16.4955 16.5457 17.4462 17.5188 k = 0.0886 0.0512 0.1447 ( 4783 PWs) bands (ev): -43.6841 -43.6840 -20.3652 -20.3651 -19.7098 -19.7098 -19.7087 -19.7086 -7.9266 -7.9254 -7.9250 -7.9229 -6.9068 -6.9067 -6.8968 -6.8963 -6.8956 -6.8922 3.6982 3.6989 8.4348 8.5169 8.5365 8.6724 9.1715 9.2068 9.8667 9.9441 10.0077 10.1692 12.6862 12.7201 13.2147 13.2160 13.4888 13.5016 14.9208 15.0156 15.0299 15.0995 16.5428 16.5850 17.5088 17.5855 k = 0.0818 0.0472 0.1336 ( 4781 PWs) bands (ev): -43.6841 -43.6841 -20.3651 -20.3650 -19.7096 -19.7096 -19.7087 -19.7086 -7.9266 -7.9255 -7.9250 -7.9232 -6.9070 -6.9068 -6.8969 -6.8964 -6.8957 -6.8926 3.6619 3.6625 8.4456 8.5209 8.5438 8.6647 9.1789 9.2080 9.8665 9.9434 10.0058 10.1521 12.7592 12.7873 13.2545 13.2560 13.5022 13.5129 14.9348 15.0206 15.0389 15.1003 16.5937 16.6284 17.5646 17.6448 k = 0.0750 0.0433 0.1225 ( 4781 PWs) bands (ev): -43.6841 -43.6841 -20.3651 -20.3650 -19.7095 -19.7094 -19.7086 -19.7086 -7.9266 -7.9255 -7.9250 -7.9234 -6.9071 -6.9070 -6.8970 -6.8965 -6.8957 -6.8930 3.6283 3.6288 8.4562 8.5248 8.5501 8.6568 9.1862 9.2096 9.8676 9.9429 10.0032 10.1350 12.8270 12.8495 13.2933 13.2951 13.5148 13.5235 14.9488 15.0259 15.0470 15.1011 16.6483 16.6758 17.6129 17.6954 k = 0.0682 0.0394 0.1113 ( 4781 PWs) bands (ev): -43.6841 -43.6841 -20.3650 -20.3650 -19.7093 -19.7093 -19.7086 -19.7086 -7.9266 -7.9256 -7.9251 -7.9237 -6.9072 -6.9071 -6.8971 -6.8966 -6.8958 -6.8934 3.5974 3.5978 8.4667 8.5287 8.5554 8.6486 9.1934 9.2116 9.8699 9.9425 10.0001 10.1178 12.8888 12.9060 13.3314 13.3335 13.5264 13.5334 14.9627 15.0314 15.0541 15.1019 16.7064 16.7274 17.6534 17.7361 k = 0.0614 0.0354 0.1002 ( 4777 PWs) bands (ev): -43.6841 -43.6841 -20.3650 -20.3649 -19.7092 -19.7091 -19.7086 -19.7086 -7.9265 -7.9256 -7.9251 -7.9239 -6.9073 -6.9072 -6.8971 -6.8966 -6.8959 -6.8938 3.5693 3.5696 8.4771 8.5326 8.5597 8.6402 9.2002 9.2140 9.8735 9.9423 9.9965 10.1006 12.9438 12.9564 13.3688 13.3712 13.5370 13.5425 14.9765 15.0370 15.0602 15.1023 16.7678 16.7829 17.6859 17.7656 k = 0.0545 0.0315 0.0891 ( 4769 PWs) bands (ev): -43.6841 -43.6841 -20.3649 -20.3649 -19.7090 -19.7090 -19.7086 -19.7086 -7.9265 -7.9257 -7.9252 -7.9241 -6.9074 -6.9073 -6.8972 -6.8966 -6.8960 -6.8942 3.5441 3.5443 8.4872 8.5364 8.5631 8.6317 9.2065 9.2165 9.8784 9.9424 9.9925 10.0836 12.9916 13.0004 13.4055 13.4079 13.5467 13.5509 14.9899 15.0425 15.0653 15.1024 16.8322 16.8422 17.7104 17.7832 k = 0.0477 0.0276 0.0779 ( 4771 PWs) bands (ev): -43.6842 -43.6841 -20.3649 -20.3649 -19.7089 -19.7089 -19.7086 -19.7085 -7.9264 -7.9257 -7.9252 -7.9243 -6.9075 -6.9074 -6.8972 -6.8967 -6.8960 -6.8946 3.5217 3.5218 8.4972 8.5401 8.5655 8.6231 9.2123 9.2192 9.8846 9.9428 9.9882 10.0666 13.0321 13.0378 13.4410 13.4432 13.5553 13.5584 15.0029 15.0479 15.0695 15.1019 16.8989 16.9048 17.7272 17.7892 k = 0.0409 0.0236 0.0668 ( 4771 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7088 -19.7088 -19.7085 -19.7085 -7.9263 -7.9257 -7.9253 -7.9246 -6.9075 -6.9075 -6.8972 -6.8967 -6.8961 -6.8949 3.5023 3.5023 8.5070 8.5437 8.5671 8.6145 9.2174 9.2219 9.8919 9.9436 9.9838 10.0499 13.0655 13.0690 13.4746 13.4765 13.5628 13.5651 15.0155 15.0530 15.0728 15.1008 16.9672 16.9699 17.7368 17.7856 k = 0.0341 0.0197 0.0557 ( 4773 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7087 -19.7087 -19.7085 -19.7085 -7.9262 -7.9257 -7.9254 -7.9248 -6.9076 -6.9076 -6.8971 -6.8967 -6.8962 -6.8952 3.4857 3.4858 8.5166 8.5472 8.5679 8.6058 9.2218 9.2245 9.9004 9.9449 9.9792 10.0334 13.0923 13.0942 13.5054 13.5067 13.5692 13.5708 15.0274 15.0578 15.0752 15.0988 17.0359 17.0365 17.7398 17.7747 k = 0.0273 0.0157 0.0445 ( 4771 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7086 -19.7086 -19.7085 -19.7085 -7.9261 -7.9257 -7.9254 -7.9249 -6.9077 -6.9077 -6.8970 -6.8966 -6.8962 -6.8955 3.4722 3.4722 8.5261 8.5506 8.5680 8.5972 9.2255 9.2268 9.9100 9.9465 9.9746 10.0173 13.1131 13.1141 13.5323 13.5331 13.5744 13.5755 15.0386 15.0623 15.0768 15.0960 17.1026 17.1031 17.7364 17.7586 k = 0.0205 0.0118 0.0334 ( 4759 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7086 -19.7086 -19.7085 -19.7085 -7.9260 -7.9257 -7.9255 -7.9251 -6.9077 -6.9077 -6.8969 -6.8966 -6.8963 -6.8958 3.4616 3.4616 8.5354 8.5539 8.5674 8.5885 9.2282 9.2288 9.9206 9.9487 9.9701 10.0016 13.1286 13.1289 13.5542 13.5547 13.5785 13.5793 15.0490 15.0663 15.0775 15.0922 17.1654 17.1661 17.7272 17.7387 k = 0.0136 0.0079 0.0223 ( 4739 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7085 -19.7085 -19.7085 -19.7085 -7.9259 -7.9257 -7.9255 -7.9253 -6.9077 -6.9077 -6.8968 -6.8966 -6.8964 -6.8960 3.4541 3.4541 8.5445 8.5569 8.5662 8.5798 9.2302 9.2304 9.9321 9.9513 9.9658 9.9864 13.1392 13.1393 13.5706 13.5708 13.5815 13.5819 15.0586 15.0698 15.0774 15.0874 17.2199 17.2203 17.7136 17.7177 k = 0.0068 0.0039 0.0111 ( 4713 PWs) bands (ev): -43.6842 -43.6842 -20.3647 -20.3647 -19.7085 -19.7085 -19.7085 -19.7085 -7.9258 -7.9257 -7.9256 -7.9255 -6.9077 -6.9077 -6.8967 -6.8965 -6.8964 -6.8963 3.4495 3.4495 8.5534 8.5598 8.5645 8.5711 9.2314 9.2314 9.9446 9.9544 9.9616 9.9718 13.1454 13.1454 13.5806 13.5807 13.5833 13.5835 15.0672 15.0727 15.0765 15.0817 17.2586 17.2587 17.6998 17.7004 k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -43.6842 -43.6842 -20.3647 -20.3647 -19.7085 -19.7085 -19.7085 -19.7085 -7.9256 -7.9256 -7.9256 -7.9256 -6.9078 -6.9078 -6.8965 -6.8965 -6.8965 -6.8965 3.4480 3.4480 8.5623 8.5623 8.5623 8.5623 9.2317 9.2317 9.9578 9.9578 9.9578 9.9578 13.1474 13.1474 13.5840 13.5840 13.5840 13.5840 15.0750 15.0750 15.0750 15.0750 17.2729 17.2729 17.6936 17.6936 k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -43.6842 -43.6842 -20.3647 -20.3647 -19.7085 -19.7085 -19.7085 -19.7085 -7.9256 -7.9256 -7.9256 -7.9256 -6.9078 -6.9078 -6.8965 -6.8965 -6.8965 -6.8965 3.4480 3.4480 8.5623 8.5623 8.5623 8.5623 9.2317 9.2317 9.9578 9.9578 9.9578 9.9578 13.1474 13.1474 13.5840 13.5840 13.5840 13.5840 15.0750 15.0750 15.0750 15.0750 17.2729 17.2729 17.6936 17.6936 k = 0.0111 0.0064 0.0045 ( 4714 PWs) bands (ev): -43.6842 -43.6842 -20.3647 -20.3647 -19.7085 -19.7085 -19.7085 -19.7085 -7.9258 -7.9256 -7.9256 -7.9255 -6.9077 -6.9077 -6.8967 -6.8965 -6.8965 -6.8963 3.4495 3.4495 8.5532 8.5621 8.5621 8.5714 9.2314 9.2314 9.9441 9.9580 9.9580 9.9723 13.1454 13.1454 13.5805 13.5805 13.5835 13.5837 15.0670 15.0746 15.0746 15.0819 17.2587 17.2587 17.7001 17.7001 k = 0.0222 0.0128 0.0091 ( 4726 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7085 -19.7085 -19.7085 -19.7085 -7.9259 -7.9256 -7.9256 -7.9253 -6.9077 -6.9077 -6.8968 -6.8965 -6.8965 -6.8960 3.4540 3.4540 8.5440 8.5615 8.5615 8.5803 9.2303 9.2303 9.9313 9.9585 9.9585 9.9874 13.1392 13.1392 13.5701 13.5701 13.5821 13.5826 15.0581 15.0736 15.0736 15.0879 17.2200 17.2200 17.7160 17.7161 k = 0.0333 0.0192 0.0136 ( 4756 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7086 -19.7086 -19.7085 -19.7085 -7.9260 -7.9256 -7.9256 -7.9251 -6.9077 -6.9077 -6.8970 -6.8965 -6.8965 -6.8958 3.4616 3.4616 8.5349 8.5605 8.5605 8.5891 9.2285 9.2285 9.9193 9.9593 9.9593 10.0031 13.1287 13.1287 13.5533 13.5533 13.5800 13.5808 15.0483 15.0720 15.0720 15.0928 17.1652 17.1652 17.7349 17.7349 k = 0.0444 0.0257 0.0181 ( 4771 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7086 -19.7086 -19.7085 -19.7085 -7.9261 -7.9256 -7.9256 -7.9249 -6.9077 -6.9077 -6.8970 -6.8965 -6.8965 -6.8955 3.4721 3.4721 8.5259 8.5592 8.5592 8.5977 9.2261 9.2261 9.9082 9.9604 9.9604 10.0194 13.1131 13.1131 13.5309 13.5309 13.5769 13.5782 15.0377 15.0698 15.0698 15.0966 17.1012 17.1012 17.7528 17.7528 k = 0.0556 0.0321 0.0227 ( 4774 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7087 -19.7087 -19.7085 -19.7085 -7.9262 -7.9255 -7.9255 -7.9247 -6.9076 -6.9076 -6.8971 -6.8964 -6.8964 -6.8952 3.4856 3.4856 8.5170 8.5574 8.5574 8.6060 9.2230 9.2230 9.8981 9.9617 9.9617 10.0362 13.0919 13.0919 13.5039 13.5039 13.5730 13.5749 15.0264 15.0670 15.0670 15.0994 17.0326 17.0326 17.7687 17.7687 k = 0.0667 0.0385 0.0272 ( 4768 PWs) bands (ev): -43.6842 -43.6842 -20.3648 -20.3648 -19.7088 -19.7088 -19.7085 -19.7085 -7.9263 -7.9255 -7.9255 -7.9245 -6.9075 -6.9075 -6.8972 -6.8964 -6.8964 -6.8948 3.5021 3.5021 8.5084 8.5553 8.5553 8.6140 9.2194 9.2194 9.8891 9.9632 9.9632 10.0534 13.0641 13.0641 13.4736 13.4736 13.5681 13.5709 15.0145 15.0637 15.0637 15.1013 16.9620 16.9620 17.7830 17.7830 k = 0.0778 0.0449 0.0318 ( 4780 PWs) bands (ev): -43.6842 -43.6842 -20.3649 -20.3649 -19.7089 -19.7089 -19.7085 -19.7085 -7.9264 -7.9255 -7.9255 -7.9243 -6.9074 -6.9074 -6.8972 -6.8964 -6.8964 -6.8945 3.5214 3.5214 8.4999 8.5528 8.5528 8.6216 9.2152 9.2152 9.8811 9.9649 9.9649 10.0709 13.0286 13.0286 13.4418 13.4418 13.5623 13.5662 15.0021 15.0599 15.0599 15.1022 16.8913 16.8913 17.7961 17.7961 k = 0.0889 0.0513 0.0363 ( 4780 PWs) bands (ev): -43.6841 -43.6841 -20.3649 -20.3649 -19.7090 -19.7090 -19.7086 -19.7085 -7.9265 -7.9254 -7.9254 -7.9241 -6.9073 -6.9073 -6.8971 -6.8964 -6.8964 -6.8941 3.5437 3.5437 8.4917 8.5499 8.5499 8.6288 9.2105 9.2105 9.8742 9.9667 9.9667 10.0886 12.9844 12.9844 13.4098 13.4098 13.5556 13.5609 14.9895 15.0557 15.0557 15.1022 16.8212 16.8212 17.8086 17.8086 k = 0.1000 0.0577 0.0408 ( 4786 PWs) bands (ev): -43.6841 -43.6841 -20.3649 -20.3649 -19.7092 -19.7092 -19.7086 -19.7085 -7.9265 -7.9254 -7.9254 -7.9239 -6.9072 -6.9072 -6.8971 -6.8963 -6.8963 -6.8937 3.5689 3.5689 8.4839 8.5465 8.5465 8.6355 9.2054 9.2054 9.8684 9.9685 9.9685 10.1066 12.9310 12.9310 13.3790 13.3790 13.5480 13.5550 14.9766 15.0512 15.0512 15.1015 16.7526 16.7526 17.8206 17.8206 k = 0.1111 0.0642 0.0454 ( 4774 PWs) bands (ev): -43.6841 -43.6841 -20.3650 -20.3650 -19.7093 -19.7093 -19.7086 -19.7086 -7.9265 -7.9253 -7.9253 -7.9237 -6.9071 -6.9071 -6.8970 -6.8963 -6.8963 -6.8933 3.5969 3.5969 8.4764 8.5428 8.5428 8.6418 9.2000 9.2000 9.8638 9.9703 9.9703 10.1246 12.8682 12.8682 13.3502 13.3502 13.5394 13.5484 14.9637 15.0464 15.0464 15.1000 16.6855 16.6855 17.8321 17.8321 k = 0.1222 0.0706 0.0499 ( 4774 PWs) bands (ev): -43.6841 -43.6841 -20.3650 -20.3650 -19.7095 -19.7095 -19.7086 -19.7086 -7.9265 -7.9253 -7.9253 -7.9235 -6.9070 -6.9070 -6.8969 -6.8962 -6.8962 -6.8929 3.6277 3.6277 8.4692 8.5387 8.5387 8.6475 9.1943 9.1943 9.8604 9.9719 9.9719 10.1426 12.7963 12.7963 13.3237 13.3237 13.5299 13.5412 14.9509 15.0413 15.0413 15.0978 16.6202 16.6202 17.8432 17.8432 k = 0.1333 0.0770 0.0544 ( 4771 PWs) bands (ev): -43.6841 -43.6841 -20.3651 -20.3651 -19.7097 -19.7097 -19.7086 -19.7086 -7.9265 -7.9252 -7.9252 -7.9233 -6.9069 -6.9069 -6.8967 -6.8962 -6.8962 -6.8925 3.6611 3.6611 8.4625 8.5342 8.5342 8.6526 9.1884 9.1884 9.8582 9.9732 9.9732 10.1605 12.7163 12.7163 13.2994 13.2994 13.5194 13.5335 14.9384 15.0361 15.0361 15.0951 16.5566 16.5566 17.8538 17.8538 k = 0.1444 0.0834 0.0590 ( 4765 PWs) bands (ev): -43.6841 -43.6841 -20.3651 -20.3651 -19.7098 -19.7098 -19.7086 -19.7086 -7.9265 -7.9251 -7.9251 -7.9230 -6.9067 -6.9067 -6.8966 -6.8961 -6.8961 -6.8921 3.6973 3.6973 8.4562 8.5292 8.5292 8.6572 9.1824 9.1824 9.8571 9.9743 9.9743 10.1782 12.6291 12.6291 13.2770 13.2770 13.5081 13.5252 14.9262 15.0307 15.0307 15.0919 16.4946 16.4946 17.8636 17.8636 k = 0.1556 0.0898 0.0635 ( 4768 PWs) bands (ev): -43.6840 -43.6840 -20.3652 -20.3652 -19.7100 -19.7100 -19.7086 -19.7086 -7.9265 -7.9251 -7.9251 -7.9228 -6.9066 -6.9066 -6.8964 -6.8961 -6.8961 -6.8917 3.7360 3.7360 8.4504 8.5239 8.5239 8.6612 9.1764 9.1764 9.8573 9.9748 9.9748 10.1957 12.5358 12.5358 13.2564 13.2564 13.4960 13.5164 14.9145 15.0253 15.0253 15.0883 16.4342 16.4342 17.8725 17.8725 k = 0.1667 0.0962 0.0680 ( 4768 PWs) bands (ev): -43.6840 -43.6840 -20.3653 -20.3653 -19.7103 -19.7103 -19.7087 -19.7086 -7.9264 -7.9250 -7.9250 -7.9226 -6.9064 -6.9064 -6.8961 -6.8960 -6.8960 -6.8912 3.7773 3.7773 8.4452 8.5180 8.5180 8.6645 9.1705 9.1705 9.8586 9.9749 9.9749 10.2128 12.4374 12.4374 13.2372 13.2372 13.4830 13.5071 14.9035 15.0199 15.0199 15.0844 16.3749 16.3749 17.8802 17.8802 k = 0.1778 0.1026 0.0726 ( 4780 PWs) bands (ev): -43.6840 -43.6840 -20.3653 -20.3653 -19.7105 -19.7105 -19.7087 -19.7087 -7.9263 -7.9249 -7.9249 -7.9224 -6.9062 -6.9062 -6.8960 -6.8960 -6.8959 -6.8908 3.8210 3.8210 8.4404 8.5118 8.5118 8.6672 9.1647 9.1647 9.8612 9.9742 9.9742 10.2295 12.3349 12.3349 13.2191 13.2191 13.4693 13.4973 14.8931 15.0145 15.0145 15.0803 16.3168 16.3168 17.8865 17.8865 k = 0.1889 0.1091 0.0771 ( 4777 PWs) bands (ev): -43.6840 -43.6840 -20.3654 -20.3654 -19.7107 -19.7107 -19.7087 -19.7087 -7.9263 -7.9248 -7.9248 -7.9222 -6.9061 -6.9061 -6.8959 -6.8959 -6.8956 -6.8903 3.8670 3.8670 8.4362 8.5050 8.5050 8.6693 9.1591 9.1591 9.8648 9.9728 9.9728 10.2456 12.2293 12.2293 13.2020 13.2020 13.4550 13.4871 14.8837 15.0091 15.0091 15.0760 16.2595 16.2595 17.8910 17.8910 k = 0.2000 0.1155 0.0816 ( 4777 PWs) bands (ev): -43.6839 -43.6839 -20.3655 -20.3655 -19.7109 -19.7109 -19.7087 -19.7087 -7.9262 -7.9247 -7.9247 -7.9220 -6.9059 -6.9059 -6.8959 -6.8959 -6.8953 -6.8899 3.9153 3.9153 8.4325 8.4978 8.4978 8.6708 9.1539 9.1539 9.8696 9.9704 9.9704 10.2611 12.1213 12.1213 13.1859 13.1859 13.4401 13.4765 14.8751 15.0039 15.0039 15.0717 16.2028 16.2028 17.8929 17.8929 k = 0.2111 0.1219 0.0862 ( 4777 PWs) bands (ev): -43.6839 -43.6839 -20.3655 -20.3655 -19.7112 -19.7112 -19.7087 -19.7087 -7.9261 -7.9246 -7.9246 -7.9218 -6.9057 -6.9057 -6.8958 -6.8958 -6.8950 -6.8895 3.9657 3.9657 8.4294 8.4901 8.4901 8.6716 9.1490 9.1490 9.8755 9.9670 9.9670 10.2760 12.0118 12.0118 13.1706 13.1706 13.4247 13.4655 14.8675 14.9988 14.9988 15.0673 16.1466 16.1466 17.8908 17.8908 k = 0.2222 0.1283 0.0907 ( 4768 PWs) bands (ev): -43.6839 -43.6839 -20.3656 -20.3656 -19.7114 -19.7114 -19.7088 -19.7087 -7.9259 -7.9245 -7.9245 -7.9216 -6.9055 -6.9055 -6.8957 -6.8957 -6.8946 -6.8891 4.0181 4.0181 8.4269 8.4818 8.4818 8.6717 9.1446 9.1446 9.8824 9.9624 9.9624 10.2900 11.9014 11.9014 13.1561 13.1561 13.4089 13.4541 14.8609 14.9939 14.9939 15.0630 16.0906 16.0906 17.8796 17.8796 k = 0.2333 0.1347 0.0953 ( 4768 PWs) bands (ev): -43.6839 -43.6839 -20.3657 -20.3657 -19.7116 -19.7116 -19.7088 -19.7088 -7.9258 -7.9245 -7.9245 -7.9214 -6.9053 -6.9053 -6.8957 -6.8957 -6.8943 -6.8886 4.0724 4.0724 8.4249 8.4731 8.4731 8.6713 9.1406 9.1406 9.8904 9.9563 9.9563 10.3031 11.7910 11.7910 13.1424 13.1424 13.3929 13.4425 14.8554 14.9891 14.9891 15.0587 16.0349 16.0349 17.8454 17.8454 k = 0.2444 0.1411 0.0998 ( 4768 PWs) bands (ev): -43.6839 -43.6839 -20.3657 -20.3657 -19.7119 -19.7119 -19.7088 -19.7088 -7.9257 -7.9244 -7.9244 -7.9213 -6.9051 -6.9051 -6.8956 -6.8956 -6.8939 -6.8882 4.1284 4.1284 8.4236 8.4637 8.4637 8.6702 9.1372 9.1372 9.8993 9.9488 9.9488 10.3153 11.6811 11.6811 13.1295 13.1295 13.3768 13.4306 14.8510 14.9845 14.9845 15.0545 15.9792 15.9792 17.7863 17.7863 k = 0.2556 0.1475 0.1043 ( 4768 PWs) bands (ev): -43.6838 -43.6838 -20.3658 -20.3658 -19.7121 -19.7121 -19.7088 -19.7088 -7.9255 -7.9243 -7.9243 -7.9211 -6.9049 -6.9049 -6.8955 -6.8955 -6.8935 -6.8879 4.1860 4.1860 8.4228 8.4539 8.4539 8.6686 9.1345 9.1345 9.9092 9.9395 9.9395 10.3264 11.5725 11.5725 13.1174 13.1174 13.3606 13.4185 14.8476 14.9802 14.9802 15.0505 15.9235 15.9235 17.7196 17.7196 k = 0.2667 0.1540 0.1089 ( 4759 PWs) bands (ev): -43.6838 -43.6838 -20.3659 -20.3659 -19.7124 -19.7124 -19.7089 -19.7088 -7.9253 -7.9242 -7.9242 -7.9210 -6.9047 -6.9047 -6.8955 -6.8955 -6.8931 -6.8875 4.2449 4.2449 8.4227 8.4434 8.4434 8.6664 9.1323 9.1323 9.9199 9.9283 9.9283 10.3364 11.4659 11.4659 13.1062 13.1062 13.3446 13.4062 14.8454 14.9760 14.9760 15.0465 15.8680 15.8680 17.6531 17.6531 k = 0.2778 0.1604 0.1134 ( 4753 PWs) bands (ev): -43.6838 -43.6838 -20.3659 -20.3659 -19.7126 -19.7126 -19.7089 -19.7089 -7.9252 -7.9241 -7.9241 -7.9208 -6.9045 -6.9045 -6.8954 -6.8954 -6.8927 -6.8871 4.3051 4.3051 8.4231 8.4323 8.4323 8.6636 9.1308 9.1308 9.9149 9.9149 9.9315 10.3452 11.3618 11.3618 13.0958 13.0958 13.3289 13.3939 14.8442 14.9721 14.9721 15.0428 15.8126 15.8126 17.5889 17.5889 k = 0.2889 0.1668 0.1179 ( 4756 PWs) bands (ev): -43.6838 -43.6838 -20.3660 -20.3660 -19.7128 -19.7128 -19.7089 -19.7089 -7.9250 -7.9240 -7.9240 -7.9207 -6.9043 -6.9043 -6.8954 -6.8954 -6.8923 -6.8868 4.3662 4.3662 8.4206 8.4206 8.4242 8.6603 9.1301 9.1301 9.8992 9.8992 9.9439 10.3528 11.2611 11.2611 13.0862 13.0862 13.3135 13.3814 14.8440 14.9683 14.9683 15.0391 15.7575 15.7575 17.5281 17.5281 k = 0.3000 0.1732 0.1225 ( 4753 PWs) bands (ev): -43.6837 -43.6837 -20.3661 -20.3661 -19.7131 -19.7131 -19.7089 -19.7089 -7.9248 -7.9239 -7.9239 -7.9206 -6.9042 -6.9042 -6.8953 -6.8953 -6.8918 -6.8865 4.4280 4.4280 8.4083 8.4083 8.4258 8.6565 9.1300 9.1300 9.8810 9.8810 9.9570 10.3591 11.1643 11.1643 13.0775 13.0775 13.2986 13.3689 14.8448 14.9648 14.9648 15.0356 15.7029 15.7029 17.4710 17.4710 k = 0.3111 0.1796 0.1270 ( 4747 PWs) bands (ev): -43.6837 -43.6837 -20.3662 -20.3662 -19.7133 -19.7133 -19.7089 -19.7089 -7.9246 -7.9238 -7.9238 -7.9205 -6.9040 -6.9040 -6.8952 -6.8952 -6.8914 -6.8862 4.4902 4.4902 8.3954 8.3954 8.4280 8.6522 9.1307 9.1307 9.8600 9.8600 9.9707 10.3641 11.0722 11.0722 13.0697 13.0697 13.2843 13.3564 14.8466 14.9615 14.9615 15.0322 15.6490 15.6490 17.4179 17.4179 k = 0.3222 0.1860 0.1315 ( 4741 PWs) bands (ev): -43.6837 -43.6837 -20.3662 -20.3662 -19.7135 -19.7135 -19.7090 -19.7089 -7.9244 -7.9237 -7.9237 -7.9204 -6.9038 -6.9038 -6.8952 -6.8952 -6.8910 -6.8859 4.5527 4.5527 8.3818 8.3818 8.4307 8.6475 9.1321 9.1321 9.8361 9.8361 9.9851 10.3677 10.9854 10.9854 13.0627 13.0627 13.2708 13.3440 14.8493 14.9585 14.9585 15.0289 15.5961 15.5961 17.3687 17.3687 k = 0.3333 0.1925 0.1361 ( 4729 PWs) bands (ev): -43.6837 -43.6837 -20.3663 -20.3663 -19.7137 -19.7137 -19.7090 -19.7090 -7.9242 -7.9236 -7.9236 -7.9204 -6.9036 -6.9036 -6.8951 -6.8951 -6.8905 -6.8856 4.6149 4.6149 8.3677 8.3677 8.4340 8.6423 9.1342 9.1342 9.8093 9.8093 10.0001 10.3699 10.9044 10.9044 13.0565 13.0565 13.2580 13.3317 14.8528 14.9556 14.9556 15.0256 15.5444 15.5444 17.3234 17.3234 k = 0.3444 0.1989 0.1406 ( 4738 PWs) bands (ev): -43.6836 -43.6836 -20.3663 -20.3663 -19.7139 -19.7139 -19.7090 -19.7090 -7.9239 -7.9235 -7.9235 -7.9203 -6.9034 -6.9034 -6.8951 -6.8951 -6.8901 -6.8854 4.6767 4.6767 8.3529 8.3529 8.4378 8.6367 9.1371 9.1371 9.7794 9.7794 10.0155 10.3706 10.8297 10.8297 13.0510 13.0510 13.2462 13.3196 14.8570 14.9529 14.9529 15.0223 15.4943 15.4943 17.2820 17.2820 k = 0.3556 0.2053 0.1452 ( 4738 PWs) bands (ev): -43.6836 -43.6836 -20.3664 -20.3664 -19.7141 -19.7141 -19.7090 -19.7090 -7.9237 -7.9235 -7.9235 -7.9203 -6.9033 -6.9033 -6.8950 -6.8950 -6.8897 -6.8852 4.7375 4.7375 8.3376 8.3376 8.4421 8.6308 9.1407 9.1407 9.7468 9.7468 10.0314 10.3700 10.7616 10.7616 13.0463 13.0463 13.2354 13.3077 14.8620 14.9505 14.9505 15.0189 15.4460 15.4460 17.2443 17.2443 k = 0.3667 0.2117 0.1497 ( 4750 PWs) bands (ev): -43.6836 -43.6836 -20.3665 -20.3665 -19.7143 -19.7143 -19.7090 -19.7090 -7.9235 -7.9234 -7.9234 -7.9203 -6.9031 -6.9031 -6.8950 -6.8950 -6.8892 -6.8850 4.7970 4.7970 8.3219 8.3219 8.4469 8.6244 9.1451 9.1451 9.7116 9.7116 10.0477 10.3680 10.7004 10.7004 13.0423 13.0423 13.2256 13.2961 14.8676 14.9482 14.9482 15.0155 15.3999 15.3999 17.2102 17.2102 k = 0.3778 0.2181 0.1542 ( 4750 PWs) bands (ev): -43.6836 -43.6836 -20.3665 -20.3665 -19.7145 -19.7145 -19.7090 -19.7090 -7.9233 -7.9233 -7.9233 -7.9203 -6.9030 -6.9030 -6.8949 -6.8949 -6.8888 -6.8849 4.8547 4.8547 8.3058 8.3058 8.4522 8.6178 9.1503 9.1503 9.6744 9.6744 10.0643 10.3645 10.6459 10.6459 13.0390 13.0390 13.2169 13.2848 14.8737 14.9461 14.9461 15.0119 15.3563 15.3563 17.1795 17.1795 k = 0.3889 0.2245 0.1588 ( 4750 PWs) bands (ev): -43.6836 -43.6836 -20.3666 -20.3666 -19.7147 -19.7147 -19.7091 -19.7090 -7.9233 -7.9233 -7.9231 -7.9203 -6.9028 -6.9028 -6.8949 -6.8949 -6.8884 -6.8848 4.9101 4.9101 8.2895 8.2895 8.4578 8.6108 9.1563 9.1563 9.6358 9.6358 10.0812 10.3597 10.5981 10.5981 13.0362 13.0362 13.2093 13.2739 14.8803 14.9442 14.9442 15.0082 15.3154 15.3154 17.1521 17.1521 k = 0.4000 0.2309 0.1633 ( 4738 PWs) bands (ev): -43.6836 -43.6836 -20.3666 -20.3666 -19.7148 -19.7148 -19.7091 -19.7091 -7.9232 -7.9232 -7.9229 -7.9203 -6.9027 -6.9027 -6.8948 -6.8948 -6.8880 -6.8847 4.9627 4.9627 8.2733 8.2733 8.4639 8.6036 9.1631 9.1631 9.5964 9.5964 10.0983 10.3536 10.5566 10.5566 13.0339 13.0339 13.2028 13.2634 14.8873 14.9425 14.9425 15.0043 15.2776 15.2776 17.1278 17.1278 k = 0.4111 0.2374 0.1678 ( 4759 PWs) bands (ev): -43.6835 -43.6835 -20.3666 -20.3666 -19.7149 -19.7149 -19.7091 -19.7091 -7.9231 -7.9231 -7.9227 -7.9203 -6.9026 -6.9026 -6.8948 -6.8948 -6.8876 -6.8846 5.0120 5.0120 8.2573 8.2573 8.4704 8.5961 9.1708 9.1708 9.5571 9.5571 10.1155 10.3462 10.5209 10.5209 13.0321 13.0321 13.1976 13.2533 14.8946 14.9410 14.9410 15.0001 15.2431 15.2431 17.1064 17.1064 k = 0.4222 0.2438 0.1724 ( 4753 PWs) bands (ev): -43.6835 -43.6835 -20.3667 -20.3667 -19.7151 -19.7151 -19.7091 -19.7091 -7.9231 -7.9231 -7.9224 -7.9204 -6.9025 -6.9025 -6.8947 -6.8947 -6.8873 -6.8846 5.0573 5.0573 8.2418 8.2418 8.4772 8.5884 9.1794 9.1794 9.5186 9.5186 10.1328 10.3376 10.4908 10.4908 13.0307 13.0307 13.1935 13.2438 14.9022 14.9396 14.9396 14.9956 15.2121 15.2121 17.0879 17.0879 k = 0.4333 0.2502 0.1769 ( 4754 PWs) bands (ev): -43.6835 -43.6835 -20.3667 -20.3667 -19.7152 -19.7152 -19.7091 -19.7091 -7.9230 -7.9230 -7.9222 -7.9205 -6.9024 -6.9024 -6.8947 -6.8947 -6.8869 -6.8846 5.0980 5.0980 8.2273 8.2273 8.4842 8.5805 9.1889 9.1889 9.4816 9.4816 10.1501 10.3279 10.4656 10.4656 13.0296 13.0296 13.1906 13.2349 14.9098 14.9384 14.9384 14.9908 15.1848 15.1848 17.0721 17.0721 k = 0.4444 0.2566 0.1814 ( 4754 PWs) bands (ev): -43.6835 -43.6835 -20.3667 -20.3667 -19.7153 -19.7153 -19.7091 -19.7091 -7.9230 -7.9230 -7.9220 -7.9205 -6.9023 -6.9023 -6.8947 -6.8947 -6.8866 -6.8847 5.1337 5.1337 8.2141 8.2141 8.4916 8.5725 9.1994 9.1994 9.4468 9.4468 10.1673 10.3170 10.4450 10.4450 13.0288 13.0288 13.1888 13.2266 14.9176 14.9374 14.9374 14.9857 15.1615 15.1615 17.0590 17.0590 k = 0.4556 0.2630 0.1860 ( 4757 PWs) bands (ev): -43.6835 -43.6835 -20.3668 -20.3668 -19.7153 -19.7153 -19.7091 -19.7091 -7.9230 -7.9230 -7.9218 -7.9206 -6.9023 -6.9023 -6.8947 -6.8947 -6.8863 -6.8847 5.1638 5.1638 8.2026 8.2026 8.4992 8.5644 9.2108 9.2108 9.4148 9.4148 10.1844 10.3052 10.4287 10.4287 13.0282 13.0282 13.1882 13.2189 14.9253 14.9365 14.9365 14.9802 15.1422 15.1422 17.0483 17.0483 k = 0.4667 0.2694 0.1905 ( 4778 PWs) bands (ev): -43.6835 -43.6835 -20.3668 -20.3668 -19.7154 -19.7154 -19.7091 -19.7091 -7.9230 -7.9230 -7.9217 -7.9208 -6.9022 -6.9022 -6.8947 -6.8947 -6.8860 -6.8848 5.1878 5.1878 8.1931 8.1931 8.5070 8.5562 9.2229 9.2229 9.3863 9.3863 10.2012 10.2924 10.4163 10.4163 13.0278 13.0278 13.1886 13.2120 14.9330 14.9358 14.9358 14.9744 15.1271 15.1271 17.0401 17.0401 k = 0.4778 0.2758 0.1951 ( 4778 PWs) bands (ev): -43.6835 -43.6835 -20.3668 -20.3668 -19.7154 -19.7154 -19.7091 -19.7091 -7.9229 -7.9229 -7.9215 -7.9209 -6.9022 -6.9022 -6.8946 -6.8946 -6.8857 -6.8850 5.2052 5.2052 8.1861 8.1861 8.5150 8.5479 9.2347 9.2347 9.3624 9.3624 10.2177 10.2788 10.4076 10.4076 13.0276 13.0276 13.1901 13.2059 14.9353 14.9353 14.9405 14.9682 15.1162 15.1162 17.0342 17.0342 k = 0.4889 0.2823 0.1996 ( 4778 PWs) bands (ev): -43.6835 -43.6835 -20.3668 -20.3668 -19.7155 -19.7155 -19.7091 -19.7091 -7.9229 -7.9229 -7.9213 -7.9210 -6.9022 -6.9022 -6.8946 -6.8946 -6.8855 -6.8851 5.2158 5.2158 8.1818 8.1818 8.5231 8.5396 9.2445 9.2445 9.3454 9.3454 10.2338 10.2644 10.4024 10.4024 13.0274 13.0274 13.1927 13.2006 14.9350 14.9350 14.9478 14.9617 15.1096 15.1096 17.0307 17.0308 k = 0.5000 0.2887 0.2041 ( 4766 PWs) bands (ev): -43.6835 -43.6835 -20.3668 -20.3668 -19.7155 -19.7155 -19.7091 -19.7091 -7.9229 -7.9229 -7.9212 -7.9212 -6.9022 -6.9022 -6.8946 -6.8946 -6.8853 -6.8853 5.2193 5.2193 8.1803 8.1803 8.5313 8.5313 9.2486 9.2486 9.3388 9.3388 10.2494 10.2494 10.4007 10.4007 13.0274 13.0274 13.1962 13.1962 14.9349 14.9349 14.9549 14.9549 15.1075 15.1075 17.0296 17.0296 k = 0.5000 0.2887 0.2041 ( 4766 PWs) bands (ev): -43.6835 -43.6835 -20.3668 -20.3668 -19.7155 -19.7155 -19.7091 -19.7091 -7.9229 -7.9229 -7.9212 -7.9212 -6.9022 -6.9022 -6.8946 -6.8946 -6.8853 -6.8853 5.2193 5.2193 8.1803 8.1803 8.5313 8.5313 9.2486 9.2486 9.3388 9.3388 10.2494 10.2494 10.4007 10.4007 13.0274 13.0274 13.1962 13.1962 14.9349 14.9349 14.9549 14.9549 15.1075 15.1075 17.0296 17.0296 k = 0.5039 0.2774 0.2105 ( 4782 PWs) bands (ev): -43.6835 -43.6835 -20.3669 -20.3667 -19.7155 -19.7154 -19.7091 -19.7091 -7.9230 -7.9229 -7.9211 -7.9211 -6.9022 -6.9021 -6.8947 -6.8946 -6.8853 -6.8853 5.2192 5.2210 8.1769 8.1842 8.5317 8.5317 9.2445 9.2528 9.3334 9.3451 10.2502 10.2502 10.3946 10.4070 13.0237 13.0268 13.1942 13.1942 14.9330 14.9345 14.9547 14.9548 15.1042 15.1108 17.0197 17.0376 k = 0.5078 0.2661 0.2169 ( 4782 PWs) bands (ev): -43.6835 -43.6835 -20.3669 -20.3667 -19.7155 -19.7154 -19.7091 -19.7091 -7.9231 -7.9229 -7.9211 -7.9211 -6.9022 -6.9021 -6.8947 -6.8946 -6.8853 -6.8853 5.2206 5.2242 8.1738 8.1884 8.5329 8.5330 9.2408 9.2570 9.3285 9.3526 10.2525 10.2525 10.3887 10.4135 13.0157 13.0218 13.1885 13.1885 14.9290 14.9310 14.9541 14.9550 15.1010 15.1142 17.0070 17.0434 k = 0.5117 0.2548 0.2233 ( 4784 PWs) bands (ev): -43.6835 -43.6835 -20.3670 -20.3666 -19.7155 -19.7154 -19.7092 -19.7092 -7.9232 -7.9229 -7.9211 -7.9210 -6.9022 -6.9021 -6.8947 -6.8946 -6.8854 -6.8853 5.2235 5.2290 8.1710 8.1930 8.5348 8.5350 9.2376 9.2609 9.3240 9.3613 10.2563 10.2563 10.3828 10.4204 13.0032 13.0123 13.1792 13.1793 14.9228 14.9241 14.9535 14.9560 15.0981 15.1175 16.9897 17.0457 k = 0.5156 0.2436 0.2296 ( 4778 PWs) bands (ev): -43.6835 -43.6835 -20.3670 -20.3665 -19.7155 -19.7153 -19.7092 -19.7092 -7.9234 -7.9230 -7.9210 -7.9209 -6.9022 -6.9021 -6.8948 -6.8945 -6.8854 -6.8854 5.2280 5.2352 8.1686 8.1980 8.5375 8.5378 9.2351 9.2646 9.3196 9.3714 10.2616 10.2616 10.3769 10.4277 12.9859 12.9978 13.1669 13.1669 14.9139 14.9144 14.9533 14.9578 15.0954 15.1206 16.9655 17.0424 k = 0.5195 0.2323 0.2360 ( 4772 PWs) bands (ev): -43.6835 -43.6834 -20.3671 -20.3665 -19.7155 -19.7153 -19.7092 -19.7092 -7.9235 -7.9231 -7.9209 -7.9208 -6.9022 -6.9020 -6.8948 -6.8945 -6.8855 -6.8854 5.2339 5.2429 8.1667 8.2035 8.5407 8.5414 9.2334 9.2679 9.3152 9.3830 10.2683 10.2684 10.3710 10.4355 12.9638 12.9781 13.1519 13.1520 14.9009 14.9041 14.9537 14.9604 15.0930 15.1236 16.9321 17.0302 k = 0.5234 0.2210 0.2424 ( 4774 PWs) bands (ev): -43.6835 -43.6834 -20.3672 -20.3664 -19.7155 -19.7152 -19.7093 -19.7093 -7.9237 -7.9232 -7.9209 -7.9207 -6.9023 -6.9020 -6.8948 -6.8945 -6.8856 -6.8855 5.2412 5.2520 8.1651 8.2095 8.5446 8.5458 9.2327 9.2710 9.3107 9.3958 10.2764 10.2767 10.3652 10.4439 12.9364 12.9526 13.1346 13.1353 14.8859 14.8923 14.9547 14.9635 15.0907 15.1265 16.8877 17.0065 k = 0.5273 0.2097 0.2488 ( 4769 PWs) bands (ev): -43.6835 -43.6834 -20.3672 -20.3664 -19.7155 -19.7152 -19.7093 -19.7093 -7.9239 -7.9233 -7.9208 -7.9206 -6.9023 -6.9020 -6.8949 -6.8944 -6.8857 -6.8855 5.2500 5.2625 8.1640 8.2160 8.5490 8.5508 9.2328 9.2741 9.3058 9.4099 10.2858 10.2863 10.3593 10.4530 12.9038 12.9212 13.1156 13.1172 14.8693 14.8795 14.9562 14.9670 15.0887 15.1292 16.8320 16.9690 k = 0.5312 0.1985 0.2552 ( 4769 PWs) bands (ev): -43.6835 -43.6834 -20.3673 -20.3663 -19.7155 -19.7151 -19.7094 -19.7094 -7.9241 -7.9235 -7.9207 -7.9205 -6.9023 -6.9020 -6.8949 -6.8944 -6.8858 -6.8855 5.2600 5.2743 8.1634 8.2231 8.5538 8.5565 9.2339 9.2772 9.3005 9.4250 10.2963 10.2969 10.3538 10.4631 12.8660 12.8837 13.0952 13.0983 14.8517 14.8661 14.9582 14.9709 15.0868 15.1318 16.7661 16.9176 k = 0.5352 0.1872 0.2615 ( 4773 PWs) bands (ev): -43.6835 -43.6834 -20.3673 -20.3663 -19.7155 -19.7151 -19.7095 -19.7094 -7.9243 -7.9236 -7.9207 -7.9204 -6.9023 -6.9020 -6.8950 -6.8943 -6.8859 -6.8856 5.2714 5.2874 8.1633 8.2309 8.5592 8.5628 9.2359 9.2805 9.2949 9.4408 10.3078 10.3080 10.3491 10.4741 12.8230 12.8402 13.0736 13.0788 14.8334 14.8524 14.9607 14.9751 15.0851 15.1344 16.6915 16.8535 k = 0.5391 0.1759 0.2679 ( 4767 PWs) bands (ev): -43.6835 -43.6834 -20.3674 -20.3662 -19.7155 -19.7150 -19.7096 -19.7095 -7.9245 -7.9238 -7.9206 -7.9203 -6.9023 -6.9020 -6.8951 -6.8943 -6.8861 -6.8856 5.2840 5.3016 8.1637 8.2393 8.5649 8.5697 9.2388 9.2843 9.2888 9.4573 10.3170 10.3200 10.3477 10.4864 12.7752 12.7910 13.0512 13.0588 14.8150 14.8388 14.9636 14.9796 15.0836 15.1369 16.6104 16.7790 k = 0.5430 0.1646 0.2743 ( 4771 PWs) bands (ev): -43.6835 -43.6834 -20.3674 -20.3662 -19.7155 -19.7149 -19.7097 -19.7096 -7.9247 -7.9239 -7.9206 -7.9202 -6.9023 -6.9020 -6.8952 -6.8942 -6.8862 -6.8856 5.2976 5.3168 8.1646 8.2485 8.5710 8.5771 9.2423 9.2823 9.2887 9.4741 10.3191 10.3328 10.3544 10.5000 12.7230 12.7366 13.0279 13.0385 14.7966 14.8256 14.9669 14.9844 15.0822 15.1395 16.5249 16.6967 k = 0.5469 0.1534 0.2807 ( 4769 PWs) bands (ev): -43.6835 -43.6834 -20.3675 -20.3661 -19.7155 -19.7148 -19.7098 -19.7096 -7.9248 -7.9241 -7.9205 -7.9201 -6.9023 -6.9020 -6.8953 -6.8941 -6.8864 -6.8856 5.3123 5.3331 8.1661 8.2582 8.5775 8.5851 9.2464 9.2757 9.2938 9.4911 10.3149 10.3461 10.3686 10.5152 12.6668 12.6775 13.0040 13.0179 14.7785 14.8129 14.9706 14.9894 15.0810 15.1420 16.4367 16.6090 k = 0.5508 0.1421 0.2870 ( 4768 PWs) bands (ev): -43.6835 -43.6834 -20.3675 -20.3661 -19.7155 -19.7148 -19.7099 -19.7097 -7.9250 -7.9242 -7.9205 -7.9200 -6.9023 -6.9021 -6.8954 -6.8940 -6.8866 -6.8856 5.3280 5.3502 8.1679 8.2687 8.5845 8.5936 9.2500 9.2695 9.2998 9.5080 10.3081 10.3594 10.3866 10.5319 12.6073 12.6143 12.9795 12.9970 14.7610 14.8008 14.9746 14.9947 15.0801 15.1447 16.3475 16.5178 k = 0.5547 0.1308 0.2934 ( 4764 PWs) bands (ev): -43.6835 -43.6833 -20.3676 -20.3660 -19.7155 -19.7147 -19.7100 -19.7098 -7.9252 -7.9244 -7.9205 -7.9199 -6.9023 -6.9021 -6.8955 -6.8939 -6.8868 -6.8856 5.3444 5.3681 8.1702 8.2797 8.5919 8.6026 9.2504 9.2668 9.3067 9.5246 10.3000 10.3728 10.4069 10.5503 12.5449 12.5476 12.9545 12.9759 14.7441 14.7894 14.9791 15.0000 15.0793 15.1474 16.2585 16.4248 k = 0.5586 0.1195 0.2998 ( 4760 PWs) bands (ev): -43.6835 -43.6833 -20.3676 -20.3660 -19.7154 -19.7146 -19.7101 -19.7099 -7.9254 -7.9245 -7.9205 -7.9198 -6.9023 -6.9021 -6.8956 -6.8938 -6.8870 -6.8856 5.3616 5.3866 8.1728 8.2911 8.5998 8.6123 9.2449 9.2700 9.3146 9.5407 10.2910 10.3859 10.4290 10.5703 12.4781 12.4803 12.9291 12.9545 14.7280 14.7789 14.9839 15.0055 15.0788 15.1503 16.1710 16.3316 k = 0.5625 0.1083 0.3062 ( 4764 PWs) bands (ev): -43.6835 -43.6833 -20.3677 -20.3660 -19.7154 -19.7145 -19.7102 -19.7099 -7.9256 -7.9247 -7.9205 -7.9197 -6.9023 -6.9022 -6.8958 -6.8937 -6.8872 -6.8856 5.3793 5.4057 8.1756 8.3030 8.6084 8.6226 9.2364 9.2760 9.3237 9.5560 10.2814 10.3988 10.4528 10.5917 12.4063 12.4140 12.9035 12.9332 14.7126 14.7691 14.9891 15.0110 15.0785 15.1533 16.0857 16.2392 k = 0.5664 0.0970 0.3126 ( 4764 PWs) bands (ev): -43.6835 -43.6833 -20.3677 -20.3659 -19.7154 -19.7144 -19.7103 -19.7100 -7.9257 -7.9248 -7.9205 -7.9196 -6.9023 -6.9023 -6.8959 -6.8935 -6.8875 -6.8856 5.3975 5.4251 8.1785 8.3150 8.6179 8.6337 9.2267 9.2832 9.3338 9.5705 10.2711 10.4113 10.4780 10.6145 12.3331 12.3469 12.8778 12.9118 14.6981 14.7601 14.9946 15.0164 15.0786 15.1563 16.0036 16.1485 k = 0.5703 0.0857 0.3189 ( 4762 PWs) bands (ev): -43.6835 -43.6833 -20.3677 -20.3659 -19.7154 -19.7143 -19.7105 -19.7101 -7.9259 -7.9249 -7.9205 -7.9196 -6.9023 -6.9023 -6.8961 -6.8934 -6.8877 -6.8855 5.4160 5.4447 8.1813 8.3270 8.6283 8.6456 9.2162 9.2911 9.3452 9.5838 10.2603 10.4234 10.5044 10.6383 12.2590 12.2795 12.8521 12.8906 14.6843 14.7519 15.0005 15.0216 15.0790 15.1595 15.9254 16.0605 k = 0.5742 0.0744 0.3253 ( 4766 PWs) bands (ev): -43.6835 -43.6833 -20.3678 -20.3659 -19.7154 -19.7142 -19.7106 -19.7101 -7.9260 -7.9251 -7.9206 -7.9195 -6.9024 -6.9023 -6.8962 -6.8932 -6.8879 -6.8854 5.4347 5.4644 8.1840 8.3386 8.6399 8.6585 9.2051 9.2994 9.3576 9.5958 10.2490 10.4352 10.5319 10.6627 12.1850 12.2126 12.8266 12.8696 14.6713 14.7444 15.0067 15.0263 15.0799 15.1628 15.8515 15.9757 k = 0.5781 0.0631 0.3317 ( 4766 PWs) bands (ev): -43.6835 -43.6833 -20.3678 -20.3658 -19.7154 -19.7141 -19.7107 -19.7102 -7.9261 -7.9252 -7.9206 -7.9195 -6.9025 -6.9023 -6.8964 -6.8931 -6.8882 -6.8854 5.4534 5.4840 8.1862 8.3495 8.6530 8.6724 9.1935 9.3082 9.3712 9.6065 10.2372 10.4465 10.5601 10.6871 12.1116 12.1472 12.8015 12.8490 14.6591 14.7376 15.0133 15.0304 15.0814 15.1661 15.7827 15.8948 k = 0.5820 0.0519 0.3381 ( 4771 PWs) bands (ev): -43.6835 -43.6833 -20.3678 -20.3658 -19.7154 -19.7140 -19.7108 -19.7103 -7.9262 -7.9253 -7.9207 -7.9194 -6.9026 -6.9024 -6.8965 -6.8929 -6.8884 -6.8853 5.4719 5.5034 8.1879 8.3593 8.6678 8.6875 9.1813 9.3173 9.3858 9.6155 10.2252 10.4573 10.5888 10.7111 12.0399 12.0841 12.7769 12.8289 14.6474 14.7315 15.0202 15.0336 15.0837 15.1694 15.7192 15.8183 k = 0.5859 0.0406 0.3445 ( 4769 PWs) bands (ev): -43.6835 -43.6832 -20.3678 -20.3658 -19.7154 -19.7139 -19.7110 -19.7103 -7.9263 -7.9255 -7.9208 -7.9194 -6.9027 -6.9024 -6.8967 -6.8928 -6.8887 -6.8852 5.4902 5.5223 8.1889 8.3677 8.6845 8.7039 9.1688 9.3267 9.4014 9.6229 10.2129 10.4678 10.6174 10.7339 11.9708 12.0243 12.7531 12.8094 14.6364 14.7258 15.0274 15.0355 15.0869 15.1724 15.6614 15.7468 k = 0.5898 0.0293 0.3508 ( 4765 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7138 -19.7111 -19.7103 -7.9264 -7.9256 -7.9208 -7.9193 -6.9028 -6.9024 -6.8968 -6.8926 -6.8889 -6.8852 5.5079 5.5406 8.1890 8.3743 8.7033 8.7214 9.1561 9.3364 9.4178 9.6286 10.2006 10.4777 10.6455 10.7547 11.9052 11.9689 12.7301 12.7907 14.6259 14.7206 15.0348 15.0360 15.0910 15.1752 15.6098 15.6806 k = 0.5938 0.0180 0.3572 ( 4768 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7137 -19.7112 -19.7104 -7.9265 -7.9257 -7.9209 -7.9193 -6.9029 -6.9025 -6.8970 -6.8924 -6.8891 -6.8851 5.5250 5.5582 8.1881 8.3788 8.7244 8.7401 9.1433 9.3464 9.4350 9.6326 10.1885 10.4872 10.6725 10.7727 11.8442 11.9191 12.7083 12.7728 14.6159 14.7158 15.0353 15.0424 15.0958 15.1776 15.5644 15.6202 k = 0.5977 0.0068 0.3636 ( 4769 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7136 -19.7114 -19.7104 -7.9266 -7.9258 -7.9210 -7.9193 -6.9030 -6.9025 -6.8971 -6.8923 -6.8893 -6.8850 5.5412 5.5748 8.1859 8.3808 8.7476 8.7599 9.1306 9.3567 9.4527 9.6350 10.1767 10.4961 10.6975 10.7870 11.7890 11.8761 12.6877 12.7558 14.6062 14.7113 15.0334 15.0501 15.1011 15.1792 15.5254 15.5660 k = 0.6016-0.0045 0.3700 ( 4771 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7135 -19.7115 -19.7104 -7.9266 -7.9259 -7.9211 -7.9192 -6.9032 -6.9026 -6.8972 -6.8922 -6.8894 -6.8850 5.5564 5.5902 8.1825 8.3802 8.7728 8.7805 9.1183 9.3673 9.4707 9.6361 10.1655 10.5043 10.7197 10.7967 11.7407 11.8409 12.6686 12.7399 14.5968 14.7068 15.0306 15.0577 15.1065 15.1798 15.4927 15.5186 k = 0.6055-0.0158 0.3764 ( 4770 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7135 -19.7116 -19.7105 -7.9266 -7.9260 -7.9213 -7.9192 -6.9033 -6.9027 -6.8973 -6.8921 -6.8895 -6.8849 5.5703 5.6042 8.1778 8.3768 8.7998 8.8017 9.1069 9.3783 9.4888 9.6363 10.1551 10.5120 10.7381 10.8013 11.7006 11.8145 12.6510 12.7251 14.5878 14.7025 15.0275 15.0649 15.1113 15.1794 15.4661 15.4780 k = 0.6094-0.0271 0.3827 ( 4776 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7134 -19.7117 -19.7105 -7.9267 -7.9261 -7.9214 -7.9192 -6.9034 -6.9028 -6.8974 -6.8920 -6.8896 -6.8849 5.5828 5.6167 8.1716 8.3705 8.8229 8.8279 9.0968 9.3896 9.5065 9.6363 10.1459 10.5189 10.7520 10.8002 11.6697 11.7974 12.6351 12.7115 14.5790 14.6980 15.0243 15.0714 15.1148 15.1776 15.4444 15.4452 k = 0.6133-0.0383 0.3891 ( 4768 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7133 -19.7118 -19.7105 -7.9267 -7.9262 -7.9215 -7.9192 -6.9035 -6.9028 -6.8975 -6.8920 -6.8897 -6.8848 5.5937 5.6274 8.1639 8.3611 8.8436 8.8565 9.0887 9.4014 9.5231 9.6372 10.1378 10.5252 10.7607 10.7937 11.6489 11.7899 12.6211 12.6991 14.5706 14.6934 15.0217 15.0763 15.1162 15.1748 15.4168 15.4297 k = 0.6172-0.0496 0.3955 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7133 -19.7118 -19.7105 -7.9266 -7.9262 -7.9216 -7.9192 -6.9037 -6.9029 -6.8975 -6.8920 -6.8896 -6.8848 5.6027 5.6362 8.1547 8.3488 8.8633 8.8844 9.0837 9.4137 9.5379 9.6405 10.1312 10.5307 10.7638 10.7820 11.6386 11.7916 12.6089 12.6880 14.5625 14.6886 15.0199 15.0789 15.1139 15.1712 15.3937 15.4188 k = 0.6211-0.0609 0.4019 ( 4760 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9266 -7.9263 -7.9218 -7.9192 -6.9038 -6.9030 -6.8976 -6.8920 -6.8896 -6.8848 5.6097 5.6428 8.1441 8.3335 8.8814 8.9100 9.0831 9.4267 9.5497 9.6478 10.1262 10.5356 10.7615 10.7661 11.6386 11.8017 12.5988 12.6782 14.5550 14.6836 15.0196 15.0777 15.1062 15.1671 15.3720 15.4122 k = 0.6250-0.0722 0.4082 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9266 -7.9264 -7.9219 -7.9192 -6.9040 -6.9032 -6.8976 -6.8921 -6.8895 -6.8848 5.6144 5.6470 8.1321 8.3154 8.8970 8.9314 9.0888 9.4405 9.5580 9.6603 10.1229 10.5399 10.7468 10.7544 11.6483 11.8192 12.5908 12.6697 14.5481 14.6783 15.0207 15.0709 15.0912 15.1628 15.3497 15.4091 k = 0.6250-0.0722 0.4082 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9266 -7.9264 -7.9219 -7.9192 -6.9040 -6.9032 -6.8976 -6.8921 -6.8895 -6.8848 5.6144 5.6470 8.1321 8.3154 8.8970 8.9314 9.0888 9.4405 9.5580 9.6603 10.1229 10.5399 10.7468 10.7544 11.6483 11.8192 12.5908 12.6697 14.5481 14.6783 15.0207 15.0709 15.0912 15.1628 15.3497 15.4091 k = 0.6184-0.0684 0.4190 ( 4764 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9267 -7.9263 -7.9219 -7.9192 -6.9040 -6.9031 -6.8976 -6.8921 -6.8895 -6.8848 5.6146 5.6473 8.1330 8.3164 8.8851 8.9423 9.0878 9.4318 9.5668 9.6635 10.1229 10.5392 10.7454 10.7567 11.6442 11.8159 12.5923 12.6708 14.5490 14.6793 15.0199 15.0703 15.0900 15.1624 15.3478 15.4082 k = 0.6118-0.0646 0.4297 ( 4764 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9268 -7.9262 -7.9220 -7.9191 -6.9040 -6.9031 -6.8976 -6.8920 -6.8895 -6.8848 5.6154 5.6481 8.1358 8.3196 8.8635 8.9606 9.0850 9.4115 9.5867 9.6736 10.1227 10.5369 10.7433 10.7615 11.6322 11.8061 12.5969 12.6737 14.5519 14.6821 15.0176 15.0684 15.0864 15.1612 15.3424 15.4054 k = 0.6053-0.0608 0.4405 ( 4760 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9269 -7.9261 -7.9220 -7.9191 -6.9041 -6.9030 -6.8977 -6.8920 -6.8895 -6.8849 5.6166 5.6494 8.1404 8.3249 8.8398 8.9787 9.0803 9.3871 9.6085 9.6924 10.1225 10.5331 10.7420 10.7672 11.6125 11.7900 12.6041 12.6784 14.5566 14.6869 15.0138 15.0650 15.0807 15.1591 15.3330 15.4002 k = 0.5987-0.0570 0.4512 ( 4756 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9270 -7.9259 -7.9221 -7.9190 -6.9041 -6.9029 -6.8977 -6.8919 -6.8895 -6.8849 5.6183 5.6512 8.1468 8.3324 8.8155 8.9951 9.0738 9.3624 9.6278 9.7204 10.1223 10.5280 10.7417 10.7736 11.5857 11.7679 12.6135 12.6846 14.5632 14.6934 15.0084 15.0599 15.0732 15.1560 15.3197 15.3917 k = 0.5921-0.0532 0.4620 ( 4758 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7132 -19.7119 -19.7106 -7.9271 -7.9258 -7.9222 -7.9190 -6.9042 -6.9028 -6.8978 -6.8917 -6.8895 -6.8850 5.6203 5.6534 8.1550 8.3419 8.7908 9.0089 9.0654 9.3392 9.6446 9.7559 10.1221 10.5215 10.7427 10.7805 11.5525 11.7405 12.6246 12.6920 14.5717 14.7018 15.0014 15.0524 15.0647 15.1519 15.3027 15.3788 k = 0.5855-0.0494 0.4727 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7131 -19.7120 -19.7106 -7.9272 -7.9257 -7.9223 -7.9189 -6.9042 -6.9027 -6.8978 -6.8916 -6.8895 -6.8851 5.6228 5.6561 8.1649 8.3535 8.7663 9.0196 9.0553 9.3182 9.6606 9.7962 10.1222 10.5140 10.7450 10.7878 11.5136 11.7081 12.6368 12.7001 14.5820 14.7120 14.9930 15.0416 15.0562 15.1467 15.2826 15.3614 k = 0.5789-0.0456 0.4835 ( 4765 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7131 -19.7120 -19.7107 -7.9273 -7.9255 -7.9224 -7.9188 -6.9043 -6.9026 -6.8979 -6.8914 -6.8895 -6.8852 5.6257 5.6591 8.1765 8.3672 8.7419 9.0258 9.0445 9.3002 9.6767 9.8394 10.1226 10.5054 10.7485 10.7955 11.4700 11.6713 12.6495 12.7087 14.5941 14.7238 14.9831 15.0280 15.0477 15.1402 15.2606 15.3405 k = 0.5724-0.0418 0.4942 ( 4764 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7154 -19.7130 -19.7120 -19.7107 -7.9274 -7.9254 -7.9225 -7.9187 -6.9043 -6.9025 -6.8979 -6.8912 -6.8895 -6.8853 5.6288 5.6625 8.1896 8.3829 8.7179 9.0216 9.0388 9.2854 9.6934 9.8842 10.1238 10.4961 10.7534 10.8037 11.4222 11.6309 12.6623 12.7173 14.6080 14.7373 14.9718 15.0126 15.0387 15.1325 15.2376 15.3175 k = 0.5658-0.0380 0.5049 ( 4772 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7130 -19.7120 -19.7108 -7.9275 -7.9252 -7.9226 -7.9186 -6.9044 -6.9024 -6.8980 -6.8911 -6.8895 -6.8854 5.6322 5.6661 8.2041 8.4005 8.6944 9.0067 9.0387 9.2738 9.7105 9.9293 10.1264 10.4860 10.7593 10.8126 11.3713 11.5874 12.6747 12.7258 14.6236 14.7523 14.9592 14.9962 15.0292 15.1236 15.2147 15.2935 k = 0.5592-0.0342 0.5157 ( 4774 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7129 -19.7121 -19.7109 -7.9276 -7.9251 -7.9228 -7.9186 -6.9044 -6.9023 -6.8981 -6.8909 -6.8895 -6.8855 5.6357 5.6698 8.2199 8.4200 8.6714 8.9879 9.0378 9.2651 9.7279 9.9731 10.1314 10.4754 10.7661 10.8224 11.3181 11.5414 12.6863 12.7338 14.6408 14.7686 14.9457 14.9797 15.0192 15.1137 15.1924 15.2695 k = 0.5526-0.0304 0.5264 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7129 -19.7121 -19.7109 -7.9277 -7.9250 -7.9229 -7.9185 -6.9045 -6.9022 -6.8981 -6.8907 -6.8895 -6.8856 5.6393 5.6737 8.2368 8.4413 8.6491 8.9665 9.0354 9.2587 9.7451 10.0128 10.1411 10.4644 10.7735 10.8335 11.2636 11.4937 12.6970 12.7413 14.6593 14.7860 14.9316 14.9637 15.0090 15.1029 15.1711 15.2459 k = 0.5461-0.0266 0.5372 ( 4752 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7153 -19.7128 -19.7121 -19.7110 -7.9277 -7.9248 -7.9230 -7.9184 -6.9045 -6.9022 -6.8982 -6.8906 -6.8895 -6.8858 5.6429 5.6776 8.2547 8.4641 8.6278 8.9430 9.0320 9.2542 9.7616 10.0443 10.1593 10.4532 10.7811 10.8463 11.2086 11.4451 12.7064 12.7479 14.6790 14.8043 14.9175 14.9491 14.9987 15.0913 15.1509 15.2228 k = 0.5395-0.0228 0.5479 ( 4754 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7153 -19.7128 -19.7121 -19.7111 -7.9278 -7.9247 -7.9231 -7.9184 -6.9045 -6.9021 -6.8982 -6.8904 -6.8895 -6.8859 5.6464 5.6813 8.2731 8.4880 8.6077 8.9177 9.0280 9.2510 9.7770 10.0648 10.1881 10.4419 10.7886 10.8611 11.1546 11.3962 12.7146 12.7537 14.6995 14.8229 14.9040 14.9364 14.9889 15.0795 15.1320 15.2003 k = 0.5329-0.0190 0.5587 ( 4756 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7153 -19.7127 -19.7122 -19.7111 -7.9278 -7.9246 -7.9232 -7.9183 -6.9045 -6.9020 -6.8982 -6.8903 -6.8895 -6.8860 5.6498 5.6849 8.2917 8.5119 8.5900 8.8910 9.0240 9.2487 9.7909 10.0762 10.2245 10.4306 10.7955 10.8781 11.1027 11.3482 12.7213 12.7586 14.7202 14.8410 14.8914 14.9266 14.9800 15.0676 15.1144 15.1786 k = 0.5263-0.0152 0.5694 ( 4752 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7153 -19.7127 -19.7122 -19.7112 -7.9279 -7.9245 -7.9233 -7.9183 -6.9045 -6.9020 -6.8982 -6.8902 -6.8896 -6.8861 5.6528 5.6881 8.3099 8.5314 8.5789 8.8634 9.0202 9.2470 9.8027 10.0824 10.2633 10.4194 10.8018 10.8969 11.0549 11.3022 12.7267 12.7625 14.7403 14.8568 14.8803 14.9212 14.9723 15.0564 15.0981 15.1576 k = 0.5197-0.0114 0.5801 ( 4749 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7126 -19.7122 -19.7112 -7.9279 -7.9244 -7.9233 -7.9183 -6.9046 -6.9019 -6.8983 -6.8901 -6.8896 -6.8862 5.6554 5.6908 8.3269 8.5348 8.5861 8.8358 9.0169 9.2457 9.8121 10.0859 10.3004 10.4087 10.8073 10.9166 11.0131 11.2599 12.7307 12.7655 14.7588 14.8643 14.8747 14.9216 14.9666 15.0466 15.0835 15.1381 k = 0.5132-0.0076 0.5909 ( 4742 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7126 -19.7122 -19.7113 -7.9279 -7.9244 -7.9234 -7.9182 -6.9046 -6.9019 -6.8983 -6.8900 -6.8896 -6.8862 5.6574 5.6930 8.3413 8.5264 8.6063 8.8098 9.0144 9.2448 9.8190 10.0879 10.3322 10.3986 10.8119 10.9350 10.9802 11.2242 12.7335 12.7675 14.7740 14.8587 14.8791 14.9272 14.9633 15.0392 15.0709 15.1209 k = 0.5066-0.0038 0.6016 ( 4732 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7125 -19.7123 -19.7113 -7.9280 -7.9243 -7.9234 -7.9182 -6.9046 -6.9019 -6.8983 -6.8899 -6.8896 -6.8862 5.6587 5.6944 8.3514 8.5185 8.6252 8.7890 9.0127 9.2443 9.8232 10.0889 10.3548 10.3905 10.8151 10.9485 10.9594 11.1992 12.7350 12.7687 14.7840 14.8533 14.8823 14.9333 14.9627 15.0355 15.0615 15.1082 k = 0.5000-0.0000 0.6124 ( 4732 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7125 -19.7123 -19.7113 -7.9280 -7.9243 -7.9234 -7.9182 -6.9046 -6.9019 -6.8983 -6.8899 -6.8897 -6.8862 5.6592 5.6949 8.3551 8.5154 8.6334 8.7805 9.0121 9.2441 9.8246 10.0891 10.3628 10.3874 10.8163 10.9514 10.9543 11.1899 12.7355 12.7691 14.7874 14.8515 14.8833 14.9356 14.9632 15.0349 15.0573 15.1032 k = 0.5000-0.0000 0.6124 ( 4732 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7125 -19.7123 -19.7113 -7.9280 -7.9243 -7.9234 -7.9182 -6.9046 -6.9019 -6.8983 -6.8899 -6.8897 -6.8862 5.6592 5.6949 8.3551 8.5154 8.6334 8.7805 9.0121 9.2441 9.8246 10.0891 10.3628 10.3874 10.8163 10.9514 10.9543 11.1899 12.7355 12.7691 14.7874 14.8515 14.8833 14.9356 14.9632 15.0349 15.0573 15.1032 k = 0.5000 0.0078 0.6013 ( 4732 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7126 -19.7122 -19.7113 -7.9280 -7.9243 -7.9234 -7.9182 -6.9046 -6.9019 -6.8983 -6.8900 -6.8896 -6.8862 5.6583 5.6940 8.3555 8.5130 8.6326 8.7810 9.0131 9.2443 9.8229 10.0886 10.3557 10.3840 10.8287 10.9443 10.9587 11.1960 12.7352 12.7689 14.7872 14.8507 14.8858 14.9323 14.9623 15.0343 15.0642 15.1119 k = 0.5000 0.0156 0.5903 ( 4742 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7126 -19.7122 -19.7113 -7.9279 -7.9244 -7.9233 -7.9182 -6.9045 -6.9019 -6.8983 -6.8901 -6.8895 -6.8862 5.6556 5.6913 8.3566 8.5060 8.6299 8.7825 9.0158 9.2449 9.8179 10.0871 10.3310 10.3804 10.8612 10.9353 10.9612 11.2136 12.7344 12.7683 14.7868 14.8481 14.8922 14.9235 14.9627 15.0340 15.0838 15.1346 k = 0.5000 0.0234 0.5793 ( 4746 PWs) bands (ev): -43.6834 -43.6831 -20.3680 -20.3657 -19.7152 -19.7127 -19.7121 -19.7113 -7.9279 -7.9245 -7.9232 -7.9182 -6.9045 -6.9019 -6.8982 -6.8903 -6.8893 -6.8862 5.6513 5.6870 8.3583 8.4953 8.6249 8.7852 9.0201 9.2459 9.8094 10.0846 10.2931 10.3791 10.8930 10.9380 10.9632 11.2415 12.7332 12.7676 14.7862 14.8431 14.8983 14.9145 14.9690 15.0364 15.1124 15.1662 k = 0.5000 0.0312 0.5682 ( 4748 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7152 -19.7128 -19.7120 -19.7113 -7.9279 -7.9246 -7.9231 -7.9183 -6.9044 -6.9019 -6.8982 -6.8904 -6.8892 -6.8862 5.6452 5.6809 8.3605 8.4818 8.6171 8.7889 9.0257 9.2471 9.7974 10.0807 10.2500 10.3787 10.8906 10.9493 10.9970 11.2780 12.7318 12.7668 14.7853 14.8360 14.8913 14.9189 14.9818 15.0434 15.1477 15.2043 k = 0.5000 0.0390 0.5572 ( 4756 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7152 -19.7129 -19.7119 -19.7112 -7.9278 -7.9247 -7.9229 -7.9183 -6.9044 -6.9018 -6.8981 -6.8906 -6.8890 -6.8862 5.6375 5.6731 8.3627 8.4668 8.6065 8.7936 9.0323 9.2485 9.7820 10.0739 10.2082 10.3786 10.8759 10.9436 11.0629 11.3218 12.7306 12.7664 14.7836 14.8282 14.8782 14.9305 14.9986 15.0563 15.1884 15.2477 k = 0.5000 0.0468 0.5462 ( 4762 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7152 -19.7130 -19.7118 -19.7112 -7.9277 -7.9247 -7.9227 -7.9183 -6.9043 -6.9018 -6.8981 -6.8908 -6.8889 -6.8862 5.6282 5.6638 8.3645 8.4515 8.5931 8.7988 9.0393 9.2501 9.7634 10.0597 10.1744 10.3786 10.8583 10.9338 11.1370 11.3717 12.7298 12.7665 14.7804 14.8213 14.8653 14.9428 15.0158 15.0758 15.2342 15.2950 k = 0.5000 0.0546 0.5351 ( 4758 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7152 -19.7131 -19.7117 -19.7111 -7.9277 -7.9248 -7.9226 -7.9184 -6.9042 -6.9018 -6.8980 -6.8910 -6.8888 -6.8862 5.6174 5.6529 8.3645 8.4377 8.5775 8.8042 9.0466 9.2517 9.7421 10.0335 10.1551 10.3786 10.8389 10.9213 11.2155 11.4267 12.7298 12.7675 14.7751 14.8165 14.8538 14.9542 15.0323 15.0997 15.2851 15.3422 k = 0.5000 0.0624 0.5241 ( 4762 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7152 -19.7132 -19.7116 -19.7111 -7.9276 -7.9249 -7.9224 -7.9184 -6.9041 -6.9018 -6.8979 -6.8912 -6.8886 -6.8862 5.6053 5.6406 8.3610 8.4276 8.5601 8.8091 9.0538 9.2535 9.7185 9.9969 10.1492 10.3785 10.8183 10.9063 11.2969 11.4859 12.7309 12.7697 14.7681 14.8135 14.8448 14.9639 15.0482 15.1241 15.3410 15.3771 k = 0.5000 0.0702 0.5131 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7153 -19.7133 -19.7115 -19.7110 -7.9275 -7.9249 -7.9222 -7.9185 -6.9040 -6.9018 -6.8978 -6.8914 -6.8885 -6.8862 5.5918 5.6270 8.3522 8.4232 8.5413 8.8133 9.0608 9.2553 9.6933 9.9558 10.1513 10.3783 10.7964 10.8890 11.3805 11.5488 12.7335 12.7732 14.7603 14.8106 14.8392 14.9717 15.0633 15.1455 15.3997 15.4081 k = 0.5000 0.0780 0.5020 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3680 -20.3657 -19.7153 -19.7134 -19.7114 -19.7110 -7.9274 -7.9250 -7.9221 -7.9185 -6.9039 -6.9018 -6.8977 -6.8916 -6.8884 -6.8862 5.5773 5.6122 8.3391 8.4238 8.5217 8.8160 9.0676 9.2573 9.6668 9.9138 10.1579 10.3779 10.7735 10.8697 11.4657 11.6147 12.7377 12.7784 14.7525 14.8068 14.8374 14.9781 15.0768 15.1619 15.4373 15.4686 k = 0.5000 0.0858 0.4910 ( 4770 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7135 -19.7112 -19.7109 -7.9273 -7.9250 -7.9219 -7.9186 -6.9037 -6.9017 -6.8976 -6.8918 -6.8883 -6.8862 5.5616 5.5962 8.3234 8.4275 8.5018 8.8168 9.0744 9.2594 9.6396 9.8728 10.1669 10.3773 10.7495 10.8484 11.5520 11.6831 12.7439 12.7852 14.7452 14.8022 14.8389 14.9835 15.0882 15.1731 15.4766 15.5355 k = 0.5000 0.0936 0.4800 ( 4770 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7136 -19.7111 -19.7108 -7.9271 -7.9250 -7.9218 -7.9186 -6.9036 -6.9017 -6.8974 -6.8920 -6.8881 -6.8862 5.5451 5.5793 8.3069 8.4324 8.4825 8.8154 9.0815 9.2616 9.6120 9.8337 10.1774 10.3764 10.7246 10.8255 11.6390 11.7534 12.7521 12.7938 14.7389 14.7977 14.8424 14.9880 15.0970 15.1799 15.5221 15.6020 k = 0.5000 0.1014 0.4689 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3657 -19.7153 -19.7137 -19.7110 -19.7107 -7.9270 -7.9250 -7.9216 -7.9187 -6.9035 -6.9017 -6.8973 -6.8922 -6.8880 -6.8862 5.5278 5.5615 8.2903 8.4355 8.4661 8.8113 9.0892 9.2637 9.5843 9.7968 10.1888 10.3752 10.6991 10.8010 11.7264 11.8252 12.7625 12.8042 14.7336 14.7939 14.8471 14.9918 15.1034 15.1832 15.5735 15.6691 k = 0.5000 0.1092 0.4579 ( 4762 PWs) bands (ev): -43.6835 -43.6832 -20.3679 -20.3658 -19.7153 -19.7138 -19.7109 -19.7107 -7.9269 -7.9250 -7.9215 -7.9188 -6.9033 -6.9018 -6.8971 -6.8923 -6.8878 -6.8862 5.5099 5.5430 8.2742 8.4288 8.4603 8.8044 9.0977 9.2657 9.5568 9.7623 10.2007 10.3736 10.6729 10.7754 11.8138 11.8982 12.7749 12.8164 14.7296 14.7912 14.8526 14.9953 15.1075 15.1839 15.6302 15.7387 k = 0.5000 0.1170 0.4469 ( 4764 PWs) bands (ev): -43.6835 -43.6832 -20.3679 -20.3658 -19.7153 -19.7139 -19.7108 -19.7106 -7.9267 -7.9249 -7.9213 -7.9189 -6.9032 -6.9018 -6.8970 -6.8925 -6.8877 -6.8862 5.4916 5.5239 8.2589 8.4128 8.4647 8.7948 9.1072 9.2673 9.5297 9.7301 10.2128 10.3716 10.6463 10.7490 11.9009 11.9719 12.7893 12.8302 14.7269 14.7895 14.8585 14.9982 15.1096 15.1828 15.6918 15.8118 k = 0.5000 0.1248 0.4358 ( 4762 PWs) bands (ev): -43.6835 -43.6832 -20.3678 -20.3658 -19.7153 -19.7140 -19.7107 -19.7105 -7.9265 -7.9249 -7.9212 -7.9190 -6.9031 -6.9018 -6.8968 -6.8927 -6.8875 -6.8862 5.4728 5.5044 8.2446 8.3946 8.4720 8.7827 9.1178 9.2686 9.5033 9.7001 10.2248 10.3692 10.6194 10.7220 11.9873 12.0460 12.8056 12.8455 14.7256 14.7891 14.8647 15.0008 15.1102 15.1804 15.7576 15.8882 k = 0.5000 0.1326 0.4248 ( 4764 PWs) bands (ev): -43.6835 -43.6833 -20.3678 -20.3658 -19.7153 -19.7141 -19.7106 -19.7104 -7.9264 -7.9248 -7.9211 -7.9191 -6.9029 -6.9018 -6.8966 -6.8929 -6.8874 -6.8861 5.4539 5.4847 8.2314 8.3764 8.4799 8.7685 9.1292 9.2693 9.4779 9.6721 10.2366 10.3662 10.5924 10.6950 12.0727 12.1201 12.8236 12.8623 14.7258 14.7899 14.8712 15.0029 15.1095 15.1771 15.8273 15.9678 k = 0.5000 0.1404 0.4138 ( 4764 PWs) bands (ev): -43.6835 -43.6833 -20.3678 -20.3659 -19.7154 -19.7142 -19.7104 -19.7103 -7.9262 -7.9248 -7.9210 -7.9191 -6.9028 -6.9018 -6.8964 -6.8931 -6.8872 -6.8861 5.4350 5.4647 8.2194 8.3588 8.4880 8.7525 9.1415 9.2695 9.4537 9.6459 10.2481 10.3628 10.5653 10.6682 12.1567 12.1938 12.8431 12.8802 14.7275 14.7920 14.8776 15.0045 15.1079 15.1732 15.9004 16.0502 k = 0.5000 0.1482 0.4027 ( 4764 PWs) bands (ev): -43.6835 -43.6833 -20.3677 -20.3659 -19.7154 -19.7143 -19.7103 -19.7102 -7.9260 -7.9247 -7.9209 -7.9192 -6.9027 -6.9019 -6.8963 -6.8932 -6.8871 -6.8861 5.4161 5.4448 8.2086 8.3418 8.4959 8.7352 9.1542 9.2691 9.4309 9.6212 10.2590 10.3589 10.5383 10.6422 12.2390 12.2669 12.8639 12.8991 14.7308 14.7953 14.8841 15.0056 15.1056 15.1689 15.9764 16.1350 k = 0.5000 0.1560 0.3917 ( 4760 PWs) bands (ev): -43.6835 -43.6833 -20.3677 -20.3659 -19.7154 -19.7144 -19.7102 -19.7101 -7.9259 -7.9246 -7.9208 -7.9194 -6.9026 -6.9019 -6.8961 -6.8934 -6.8869 -6.8861 5.3975 5.4250 8.1991 8.3258 8.5034 8.7171 9.1671 9.2681 9.4096 9.5978 10.2694 10.3544 10.5116 10.6171 12.3190 12.3391 12.8857 12.9187 14.7356 14.7999 14.8903 15.0062 15.1029 15.1644 16.0549 16.2216 k = 0.5000 0.1638 0.3807 ( 4760 PWs) bands (ev): -43.6835 -43.6833 -20.3677 -20.3660 -19.7154 -19.7145 -19.7101 -19.7100 -7.9257 -7.9245 -7.9208 -7.9195 -6.9025 -6.9019 -6.8959 -6.8936 -6.8868 -6.8860 5.3792 5.4055 8.1908 8.3106 8.5104 8.6985 9.1801 9.2667 9.3902 9.5754 10.2792 10.3496 10.4852 10.5934 12.3963 12.4102 12.9082 12.9390 14.7421 14.8057 14.8964 15.0061 15.1000 15.1599 16.1355 16.3096 k = 0.5000 0.1716 0.3696 ( 4762 PWs) bands (ev): -43.6835 -43.6833 -20.3676 -20.3660 -19.7154 -19.7146 -19.7100 -19.7099 -7.9255 -7.9244 -7.9207 -7.9196 -6.9025 -6.9019 -6.8958 -6.8937 -6.8866 -6.8860 5.3614 5.3864 8.1838 8.2965 8.5167 8.6799 9.1926 9.2649 9.3726 9.5540 10.2881 10.3446 10.4593 10.5713 12.4699 12.4802 12.9313 12.9597 14.7503 14.8127 14.9021 15.0054 15.0971 15.1555 16.2177 16.3980 k = 0.5000 0.1794 0.3586 ( 4766 PWs) bands (ev): -43.6835 -43.6833 -20.3676 -20.3660 -19.7155 -19.7147 -19.7099 -19.7098 -7.9253 -7.9243 -7.9207 -7.9197 -6.9024 -6.9019 -6.8956 -6.8938 -6.8865 -6.8859 5.3442 5.3679 8.1779 8.2833 8.5224 8.6616 9.2044 9.2631 9.3571 9.5333 10.2958 10.3396 10.4341 10.5509 12.5389 12.5492 12.9547 12.9806 14.7600 14.8209 14.9075 15.0040 15.0944 15.1513 16.3009 16.4862 k = 0.5000 0.1872 0.3476 ( 4772 PWs) bands (ev): -43.6835 -43.6834 -20.3675 -20.3661 -19.7155 -19.7148 -19.7098 -19.7098 -7.9251 -7.9241 -7.9207 -7.9198 -6.9024 -6.9020 -6.8955 -6.8939 -6.8863 -6.8859 5.3277 5.3500 8.1732 8.2710 8.5272 8.6438 9.2149 9.2616 9.3435 9.5134 10.3016 10.3356 10.4098 10.5322 12.6036 12.6161 12.9781 13.0015 14.7713 14.8302 14.9123 15.0018 15.0921 15.1475 16.3845 16.5730 k = 0.5000 0.1951 0.3365 ( 4770 PWs) bands (ev): -43.6835 -43.6834 -20.3675 -20.3661 -19.7155 -19.7148 -19.7097 -19.7097 -7.9249 -7.9240 -7.9207 -7.9199 -6.9023 -6.9020 -6.8953 -6.8940 -6.8862 -6.8858 5.3121 5.3329 8.1695 8.2597 8.5312 8.6269 9.2234 9.2610 9.3321 9.4942 10.3041 10.3339 10.3868 10.5153 12.6644 12.6796 13.0015 13.0223 14.7840 14.8404 14.9167 14.9990 15.0902 15.1439 16.4676 16.6571 k = 0.5000 0.2029 0.3255 ( 4764 PWs) bands (ev): -43.6835 -43.6834 -20.3674 -20.3662 -19.7155 -19.7149 -19.7096 -19.7096 -7.9247 -7.9239 -7.9207 -7.9201 -6.9023 -6.9020 -6.8952 -6.8941 -6.8861 -6.8858 5.2974 5.3166 8.1668 8.2494 8.5343 8.6110 9.2291 9.2622 9.3228 9.4757 10.3023 10.3353 10.3656 10.5001 12.7213 12.7388 13.0247 13.0429 14.7981 14.8516 14.9206 14.9955 15.0888 15.1406 16.5494 16.7370 k = 0.5000 0.2107 0.3145 ( 4764 PWs) bands (ev): -43.6835 -43.6834 -20.3674 -20.3662 -19.7155 -19.7150 -19.7095 -19.7095 -7.9245 -7.9237 -7.9207 -7.9202 -6.9023 -6.9020 -6.8951 -6.8942 -6.8859 -6.8857 5.2838 5.3014 8.1650 8.2399 8.5366 8.5963 9.2318 9.2650 9.3157 9.4579 10.2975 10.3363 10.3488 10.4864 12.7741 12.7930 13.0476 13.0631 14.8133 14.8633 14.9240 14.9914 15.0881 15.1375 16.6286 16.8111 k = 0.5000 0.2185 0.3034 ( 4760 PWs) bands (ev): -43.6835 -43.6834 -20.3673 -20.3663 -19.7155 -19.7151 -19.7095 -19.7095 -7.9243 -7.9236 -7.9207 -7.9203 -6.9023 -6.9020 -6.8950 -6.8943 -6.8858 -6.8857 5.2713 5.2872 8.1641 8.2312 8.5380 8.5830 9.2324 9.2684 9.3110 9.4409 10.2913 10.3240 10.3483 10.4741 12.8223 12.8419 13.0700 13.0828 14.8293 14.8754 14.9270 14.9869 15.0880 15.1347 16.7039 16.8772 k = 0.5000 0.2263 0.2924 ( 4764 PWs) bands (ev): -43.6835 -43.6834 -20.3673 -20.3663 -19.7155 -19.7151 -19.7094 -19.7094 -7.9241 -7.9235 -7.9208 -7.9205 -6.9023 -6.9020 -6.8950 -6.8944 -6.8857 -6.8856 5.2599 5.2742 8.1638 8.2232 8.5386 8.5712 9.2323 9.2707 9.3091 9.4248 10.2846 10.3082 10.3535 10.4630 12.8655 12.8850 13.0917 13.1020 14.8458 14.8876 14.9297 14.9821 15.0886 15.1319 16.7737 16.9336 k = 0.5000 0.2341 0.2814 ( 4764 PWs) bands (ev): -43.6835 -43.6834 -20.3672 -20.3664 -19.7155 -19.7152 -19.7093 -19.7093 -7.9239 -7.9233 -7.9208 -7.9206 -6.9023 -6.9020 -6.8949 -6.8944 -6.8856 -6.8855 5.2499 5.2624 8.1642 8.2160 8.5385 8.5610 9.2321 9.2711 9.3097 9.4097 10.2778 10.2940 10.3593 10.4530 12.9036 12.9222 13.1126 13.1204 14.8625 14.8992 14.9325 14.9771 15.0896 15.1292 16.8362 16.9785 k = 0.5000 0.2419 0.2703 ( 4774 PWs) bands (ev): -43.6835 -43.6834 -20.3672 -20.3664 -19.7155 -19.7152 -19.7093 -19.7093 -7.9237 -7.9232 -7.9209 -7.9207 -6.9023 -6.9020 -6.8948 -6.8945 -6.8855 -6.8855 5.2412 5.2520 8.1652 8.2094 8.5379 8.5523 9.2324 9.2699 9.3123 9.3956 10.2713 10.2816 10.3652 10.4438 12.9364 12.9532 13.1323 13.1377 14.8787 14.9097 14.9355 14.9721 15.0912 15.1265 16.8895 17.0112 k = 0.5000 0.2497 0.2593 ( 4778 PWs) bands (ev): -43.6835 -43.6834 -20.3671 -20.3665 -19.7155 -19.7153 -19.7092 -19.7092 -7.9235 -7.9231 -7.9209 -7.9208 -6.9022 -6.9020 -6.8948 -6.8945 -6.8855 -6.8854 5.2338 5.2429 8.1667 8.2034 8.5368 8.5453 9.2334 9.2675 9.3158 9.3828 10.2653 10.2714 10.3711 10.4354 12.9638 12.9784 13.1503 13.1537 14.8941 14.9183 14.9394 14.9673 15.0932 15.1236 16.9328 17.0322 k = 0.5000 0.2575 0.2483 ( 4776 PWs) bands (ev): -43.6835 -43.6835 -20.3670 -20.3665 -19.7155 -19.7153 -19.7092 -19.7092 -7.9234 -7.9230 -7.9210 -7.9209 -6.9022 -6.9021 -6.8948 -6.8945 -6.8854 -6.8854 5.2279 5.2352 8.1686 8.1980 8.5354 8.5399 9.2351 9.2645 9.3198 9.3713 10.2600 10.2632 10.3769 10.4276 12.9860 12.9980 13.1661 13.1679 14.9079 14.9246 14.9440 14.9629 15.0955 15.1206 16.9658 17.0429 k = 0.5000 0.2653 0.2372 ( 4784 PWs) bands (ev): -43.6835 -43.6835 -20.3670 -20.3666 -19.7155 -19.7154 -19.7092 -19.7092 -7.9232 -7.9229 -7.9211 -7.9210 -6.9022 -6.9021 -6.8947 -6.8946 -6.8853 -6.8853 5.2235 5.2290 8.1710 8.1929 8.5339 8.5359 9.2376 9.2609 9.3241 9.3612 10.2556 10.2569 10.3828 10.4204 13.0032 13.0123 13.1789 13.1797 14.9196 14.9289 14.9488 14.9591 15.0981 15.1175 16.9898 17.0459 k = 0.5000 0.2731 0.2262 ( 4782 PWs) bands (ev): -43.6835 -43.6835 -20.3669 -20.3667 -19.7155 -19.7154 -19.7091 -19.7091 -7.9231 -7.9229 -7.9211 -7.9211 -6.9022 -6.9021 -6.8947 -6.8946 -6.8853 -6.8853 5.2206 5.2242 8.1738 8.1884 8.5326 8.5332 9.2408 9.2570 9.3285 9.3525 10.2523 10.2527 10.3887 10.4135 13.0157 13.0218 13.1884 13.1887 14.9282 14.9322 14.9525 14.9563 15.1010 15.1142 17.0070 17.0434 k = 0.5000 0.2809 0.2152 ( 4778 PWs) bands (ev): -43.6835 -43.6835 -20.3669 -20.3667 -19.7155 -19.7154 -19.7091 -19.7091 -7.9230 -7.9229 -7.9211 -7.9211 -6.9022 -6.9021 -6.8947 -6.8946 -6.8853 -6.8853 5.2192 5.2210 8.1769 8.1842 8.5317 8.5318 9.2445 9.2528 9.3334 9.3451 10.2501 10.2502 10.3946 10.4070 13.0237 13.0268 13.1942 13.1942 14.9330 14.9345 14.9545 14.9550 15.1042 15.1108 17.0197 17.0376 k = 0.5000 0.2887 0.2041 ( 4766 PWs) bands (ev): -43.6835 -43.6835 -20.3668 -20.3668 -19.7155 -19.7155 -19.7091 -19.7091 -7.9229 -7.9229 -7.9212 -7.9212 -6.9022 -6.9022 -6.8946 -6.8946 -6.8853 -6.8853 5.2193 5.2193 8.1803 8.1803 8.5313 8.5313 9.2486 9.2486 9.3388 9.3388 10.2494 10.2494 10.4007 10.4007 13.0274 13.0274 13.1962 13.1962 14.9349 14.9349 14.9549 14.9549 15.1075 15.1075 17.0296 17.0296 k = 0.5000 0.2887 0.2041 ( 4766 PWs) bands (ev): -43.6835 -43.6835 -20.3668 -20.3668 -19.7155 -19.7155 -19.7091 -19.7091 -7.9229 -7.9229 -7.9212 -7.9212 -6.9022 -6.9022 -6.8946 -6.8946 -6.8853 -6.8853 5.2193 5.2193 8.1803 8.1803 8.5313 8.5313 9.2486 9.2486 9.3388 9.3388 10.2494 10.2494 10.4007 10.4007 13.0274 13.0274 13.1962 13.1962 14.9349 14.9349 14.9549 14.9549 15.1075 15.1075 17.0296 17.0296 k = 0.4961 0.2864 0.2169 ( 4782 PWs) bands (ev): -43.6835 -43.6835 -20.3669 -20.3667 -19.7155 -19.7154 -19.7091 -19.7091 -7.9230 -7.9229 -7.9211 -7.9211 -6.9022 -6.9021 -6.8947 -6.8946 -6.8853 -6.8853 5.2192 5.2210 8.1769 8.1842 8.5317 8.5317 9.2445 9.2528 9.3334 9.3451 10.2502 10.2502 10.3946 10.4070 13.0237 13.0268 13.1942 13.1942 14.9330 14.9345 14.9547 14.9548 15.1042 15.1108 17.0197 17.0376 k = 0.4922 0.2842 0.2296 ( 4782 PWs) bands (ev): -43.6835 -43.6835 -20.3669 -20.3667 -19.7155 -19.7154 -19.7091 -19.7091 -7.9231 -7.9229 -7.9211 -7.9211 -6.9022 -6.9021 -6.8947 -6.8946 -6.8853 -6.8853 5.2206 5.2242 8.1738 8.1884 8.5329 8.5330 9.2408 9.2570 9.3285 9.3526 10.2525 10.2525 10.3887 10.4135 13.0157 13.0218 13.1885 13.1885 14.9290 14.9310 14.9541 14.9550 15.1010 15.1142 17.0070 17.0434 k = 0.4883 0.2819 0.2424 ( 4784 PWs) bands (ev): -43.6835 -43.6835 -20.3670 -20.3666 -19.7155 -19.7154 -19.7092 -19.7092 -7.9232 -7.9229 -7.9211 -7.9210 -6.9022 -6.9021 -6.8947 -6.8946 -6.8854 -6.8853 5.2235 5.2290 8.1710 8.1930 8.5348 8.5350 9.2376 9.2609 9.3240 9.3613 10.2563 10.2563 10.3828 10.4204 13.0032 13.0123 13.1792 13.1793 14.9228 14.9241 14.9535 14.9560 15.0981 15.1175 16.9897 17.0457 k = 0.4844 0.2797 0.2552 ( 4778 PWs) bands (ev): -43.6835 -43.6835 -20.3670 -20.3665 -19.7155 -19.7153 -19.7092 -19.7092 -7.9234 -7.9230 -7.9210 -7.9209 -6.9022 -6.9021 -6.8948 -6.8945 -6.8854 -6.8854 5.2280 5.2352 8.1686 8.1980 8.5375 8.5378 9.2351 9.2646 9.3196 9.3714 10.2616 10.2616 10.3769 10.4277 12.9859 12.9978 13.1669 13.1669 14.9139 14.9144 14.9533 14.9578 15.0954 15.1206 16.9655 17.0424 k = 0.4805 0.2774 0.2679 ( 4772 PWs) bands (ev): -43.6835 -43.6834 -20.3671 -20.3665 -19.7155 -19.7153 -19.7092 -19.7092 -7.9235 -7.9231 -7.9209 -7.9208 -6.9022 -6.9020 -6.8948 -6.8945 -6.8855 -6.8854 5.2339 5.2429 8.1667 8.2035 8.5407 8.5414 9.2334 9.2679 9.3152 9.3830 10.2683 10.2684 10.3710 10.4355 12.9638 12.9781 13.1519 13.1520 14.9009 14.9041 14.9537 14.9604 15.0930 15.1236 16.9321 17.0302 k = 0.4766 0.2751 0.2807 ( 4774 PWs) bands (ev): -43.6835 -43.6834 -20.3672 -20.3664 -19.7155 -19.7152 -19.7093 -19.7093 -7.9237 -7.9232 -7.9209 -7.9207 -6.9023 -6.9020 -6.8948 -6.8945 -6.8856 -6.8855 5.2412 5.2520 8.1651 8.2095 8.5446 8.5458 9.2327 9.2710 9.3107 9.3958 10.2764 10.2767 10.3652 10.4439 12.9364 12.9526 13.1346 13.1353 14.8859 14.8923 14.9547 14.9635 15.0907 15.1265 16.8877 17.0065 k = 0.4727 0.2729 0.2934 ( 4769 PWs) bands (ev): -43.6835 -43.6834 -20.3672 -20.3664 -19.7155 -19.7152 -19.7093 -19.7093 -7.9239 -7.9233 -7.9208 -7.9206 -6.9023 -6.9020 -6.8949 -6.8944 -6.8857 -6.8855 5.2500 5.2625 8.1640 8.2160 8.5490 8.5508 9.2328 9.2741 9.3058 9.4099 10.2858 10.2863 10.3593 10.4530 12.9038 12.9212 13.1156 13.1172 14.8693 14.8795 14.9562 14.9670 15.0887 15.1292 16.8320 16.9690 k = 0.4688 0.2706 0.3062 ( 4769 PWs) bands (ev): -43.6835 -43.6834 -20.3673 -20.3663 -19.7155 -19.7151 -19.7094 -19.7094 -7.9241 -7.9235 -7.9207 -7.9205 -6.9023 -6.9020 -6.8949 -6.8944 -6.8858 -6.8855 5.2600 5.2743 8.1634 8.2231 8.5538 8.5565 9.2339 9.2772 9.3005 9.4250 10.2963 10.2969 10.3538 10.4631 12.8660 12.8837 13.0952 13.0983 14.8517 14.8661 14.9582 14.9709 15.0868 15.1318 16.7661 16.9176 k = 0.4648 0.2684 0.3189 ( 4773 PWs) bands (ev): -43.6835 -43.6834 -20.3673 -20.3663 -19.7155 -19.7151 -19.7095 -19.7094 -7.9243 -7.9236 -7.9207 -7.9204 -6.9023 -6.9020 -6.8950 -6.8943 -6.8859 -6.8856 5.2714 5.2874 8.1633 8.2309 8.5592 8.5628 9.2359 9.2805 9.2949 9.4408 10.3078 10.3080 10.3491 10.4741 12.8230 12.8402 13.0736 13.0788 14.8334 14.8524 14.9607 14.9751 15.0851 15.1344 16.6915 16.8535 k = 0.4609 0.2661 0.3317 ( 4767 PWs) bands (ev): -43.6835 -43.6834 -20.3674 -20.3662 -19.7155 -19.7150 -19.7096 -19.7095 -7.9245 -7.9238 -7.9206 -7.9203 -6.9023 -6.9020 -6.8951 -6.8943 -6.8861 -6.8856 5.2840 5.3016 8.1637 8.2393 8.5649 8.5697 9.2388 9.2843 9.2888 9.4573 10.3170 10.3200 10.3477 10.4864 12.7752 12.7910 13.0512 13.0588 14.8150 14.8388 14.9636 14.9796 15.0836 15.1369 16.6104 16.7790 k = 0.4570 0.2639 0.3445 ( 4771 PWs) bands (ev): -43.6835 -43.6834 -20.3674 -20.3662 -19.7155 -19.7149 -19.7097 -19.7096 -7.9247 -7.9239 -7.9206 -7.9202 -6.9023 -6.9020 -6.8952 -6.8942 -6.8862 -6.8856 5.2976 5.3168 8.1646 8.2485 8.5710 8.5771 9.2423 9.2823 9.2887 9.4741 10.3191 10.3328 10.3544 10.5000 12.7230 12.7366 13.0279 13.0385 14.7966 14.8256 14.9669 14.9844 15.0822 15.1395 16.5249 16.6967 k = 0.4531 0.2616 0.3572 ( 4769 PWs) bands (ev): -43.6835 -43.6834 -20.3675 -20.3661 -19.7155 -19.7148 -19.7098 -19.7096 -7.9248 -7.9241 -7.9205 -7.9201 -6.9023 -6.9020 -6.8953 -6.8941 -6.8864 -6.8856 5.3123 5.3331 8.1661 8.2582 8.5775 8.5851 9.2464 9.2757 9.2938 9.4911 10.3149 10.3461 10.3686 10.5152 12.6668 12.6775 13.0040 13.0179 14.7785 14.8129 14.9706 14.9894 15.0810 15.1420 16.4367 16.6090 k = 0.4492 0.2594 0.3700 ( 4768 PWs) bands (ev): -43.6835 -43.6834 -20.3675 -20.3661 -19.7155 -19.7148 -19.7099 -19.7097 -7.9250 -7.9242 -7.9205 -7.9200 -6.9023 -6.9021 -6.8954 -6.8940 -6.8866 -6.8856 5.3280 5.3502 8.1679 8.2687 8.5845 8.5936 9.2500 9.2695 9.2998 9.5080 10.3081 10.3594 10.3866 10.5319 12.6073 12.6143 12.9795 12.9970 14.7610 14.8008 14.9746 14.9947 15.0801 15.1447 16.3475 16.5178 k = 0.4453 0.2571 0.3827 ( 4764 PWs) bands (ev): -43.6835 -43.6833 -20.3676 -20.3660 -19.7155 -19.7147 -19.7100 -19.7098 -7.9252 -7.9244 -7.9205 -7.9199 -6.9023 -6.9021 -6.8955 -6.8939 -6.8868 -6.8856 5.3444 5.3681 8.1702 8.2797 8.5919 8.6026 9.2504 9.2668 9.3067 9.5246 10.3000 10.3728 10.4069 10.5503 12.5449 12.5476 12.9545 12.9759 14.7441 14.7894 14.9791 15.0000 15.0793 15.1474 16.2585 16.4248 k = 0.4414 0.2548 0.3955 ( 4760 PWs) bands (ev): -43.6835 -43.6833 -20.3676 -20.3660 -19.7154 -19.7146 -19.7101 -19.7099 -7.9254 -7.9245 -7.9205 -7.9198 -6.9023 -6.9021 -6.8956 -6.8938 -6.8870 -6.8856 5.3616 5.3866 8.1728 8.2911 8.5998 8.6123 9.2449 9.2700 9.3146 9.5407 10.2910 10.3859 10.4290 10.5703 12.4781 12.4803 12.9291 12.9545 14.7280 14.7789 14.9839 15.0055 15.0788 15.1503 16.1710 16.3316 k = 0.4375 0.2526 0.4082 ( 4764 PWs) bands (ev): -43.6835 -43.6833 -20.3677 -20.3660 -19.7154 -19.7145 -19.7102 -19.7099 -7.9256 -7.9247 -7.9205 -7.9197 -6.9023 -6.9022 -6.8958 -6.8937 -6.8872 -6.8856 5.3793 5.4057 8.1756 8.3030 8.6084 8.6226 9.2364 9.2760 9.3237 9.5560 10.2814 10.3988 10.4528 10.5917 12.4063 12.4140 12.9035 12.9332 14.7126 14.7691 14.9891 15.0110 15.0785 15.1533 16.0857 16.2392 k = 0.4336 0.2503 0.4210 ( 4764 PWs) bands (ev): -43.6835 -43.6833 -20.3677 -20.3659 -19.7154 -19.7144 -19.7103 -19.7100 -7.9257 -7.9248 -7.9205 -7.9196 -6.9023 -6.9023 -6.8959 -6.8935 -6.8875 -6.8856 5.3975 5.4251 8.1785 8.3150 8.6179 8.6337 9.2267 9.2832 9.3338 9.5705 10.2711 10.4113 10.4780 10.6145 12.3331 12.3469 12.8778 12.9118 14.6981 14.7601 14.9946 15.0164 15.0786 15.1563 16.0036 16.1485 k = 0.4297 0.2481 0.4338 ( 4762 PWs) bands (ev): -43.6835 -43.6833 -20.3677 -20.3659 -19.7154 -19.7143 -19.7105 -19.7101 -7.9259 -7.9249 -7.9205 -7.9196 -6.9023 -6.9023 -6.8961 -6.8934 -6.8877 -6.8855 5.4160 5.4447 8.1813 8.3270 8.6283 8.6456 9.2162 9.2911 9.3452 9.5838 10.2603 10.4234 10.5044 10.6383 12.2590 12.2795 12.8521 12.8906 14.6843 14.7519 15.0005 15.0216 15.0790 15.1595 15.9254 16.0605 k = 0.4258 0.2458 0.4465 ( 4766 PWs) bands (ev): -43.6835 -43.6833 -20.3678 -20.3659 -19.7154 -19.7142 -19.7106 -19.7101 -7.9260 -7.9251 -7.9206 -7.9195 -6.9024 -6.9023 -6.8962 -6.8932 -6.8879 -6.8854 5.4347 5.4644 8.1840 8.3386 8.6399 8.6585 9.2051 9.2994 9.3576 9.5958 10.2490 10.4352 10.5319 10.6627 12.1850 12.2126 12.8266 12.8696 14.6713 14.7444 15.0067 15.0263 15.0799 15.1628 15.8515 15.9757 k = 0.4219 0.2436 0.4593 ( 4766 PWs) bands (ev): -43.6835 -43.6833 -20.3678 -20.3658 -19.7154 -19.7141 -19.7107 -19.7102 -7.9261 -7.9252 -7.9206 -7.9195 -6.9025 -6.9023 -6.8964 -6.8931 -6.8882 -6.8854 5.4534 5.4840 8.1862 8.3495 8.6530 8.6724 9.1935 9.3082 9.3712 9.6065 10.2372 10.4465 10.5601 10.6871 12.1116 12.1472 12.8015 12.8490 14.6591 14.7376 15.0133 15.0304 15.0814 15.1661 15.7827 15.8948 k = 0.4180 0.2413 0.4720 ( 4771 PWs) bands (ev): -43.6835 -43.6833 -20.3678 -20.3658 -19.7154 -19.7140 -19.7108 -19.7103 -7.9262 -7.9253 -7.9207 -7.9194 -6.9026 -6.9024 -6.8965 -6.8929 -6.8884 -6.8853 5.4719 5.5034 8.1879 8.3593 8.6678 8.6875 9.1813 9.3173 9.3858 9.6155 10.2252 10.4573 10.5888 10.7111 12.0399 12.0841 12.7769 12.8289 14.6474 14.7315 15.0202 15.0336 15.0837 15.1694 15.7192 15.8183 k = 0.4141 0.2391 0.4848 ( 4769 PWs) bands (ev): -43.6835 -43.6832 -20.3678 -20.3658 -19.7154 -19.7139 -19.7110 -19.7103 -7.9263 -7.9255 -7.9208 -7.9194 -6.9027 -6.9024 -6.8967 -6.8928 -6.8887 -6.8852 5.4902 5.5223 8.1889 8.3677 8.6845 8.7039 9.1688 9.3267 9.4014 9.6229 10.2129 10.4678 10.6174 10.7339 11.9708 12.0243 12.7531 12.8094 14.6364 14.7258 15.0274 15.0355 15.0869 15.1724 15.6614 15.7468 k = 0.4102 0.2368 0.4976 ( 4765 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7138 -19.7111 -19.7103 -7.9264 -7.9256 -7.9208 -7.9193 -6.9028 -6.9024 -6.8968 -6.8926 -6.8889 -6.8852 5.5079 5.5406 8.1890 8.3743 8.7033 8.7214 9.1561 9.3364 9.4178 9.6286 10.2006 10.4777 10.6455 10.7547 11.9052 11.9689 12.7301 12.7907 14.6259 14.7206 15.0348 15.0360 15.0910 15.1752 15.6098 15.6806 k = 0.4062 0.2345 0.5103 ( 4768 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7137 -19.7112 -19.7104 -7.9265 -7.9257 -7.9209 -7.9193 -6.9029 -6.9025 -6.8970 -6.8924 -6.8891 -6.8851 5.5250 5.5582 8.1881 8.3788 8.7244 8.7401 9.1433 9.3464 9.4350 9.6326 10.1885 10.4872 10.6725 10.7727 11.8442 11.9191 12.7083 12.7728 14.6159 14.7158 15.0353 15.0424 15.0958 15.1776 15.5644 15.6202 k = 0.4023 0.2323 0.5231 ( 4769 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7136 -19.7114 -19.7104 -7.9266 -7.9258 -7.9210 -7.9193 -6.9030 -6.9025 -6.8971 -6.8923 -6.8893 -6.8850 5.5412 5.5748 8.1859 8.3808 8.7476 8.7599 9.1306 9.3567 9.4527 9.6350 10.1767 10.4961 10.6975 10.7870 11.7890 11.8761 12.6877 12.7558 14.6062 14.7113 15.0334 15.0501 15.1011 15.1792 15.5254 15.5660 k = 0.3984 0.2300 0.5358 ( 4771 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7135 -19.7115 -19.7104 -7.9266 -7.9259 -7.9211 -7.9192 -6.9032 -6.9026 -6.8972 -6.8922 -6.8894 -6.8850 5.5564 5.5902 8.1825 8.3802 8.7728 8.7805 9.1183 9.3673 9.4707 9.6361 10.1655 10.5043 10.7197 10.7967 11.7407 11.8409 12.6686 12.7399 14.5968 14.7068 15.0306 15.0577 15.1065 15.1798 15.4927 15.5186 k = 0.3945 0.2278 0.5486 ( 4770 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7135 -19.7116 -19.7105 -7.9266 -7.9260 -7.9213 -7.9192 -6.9033 -6.9027 -6.8973 -6.8921 -6.8895 -6.8849 5.5703 5.6042 8.1778 8.3768 8.7998 8.8017 9.1069 9.3783 9.4888 9.6363 10.1551 10.5120 10.7381 10.8013 11.7006 11.8145 12.6510 12.7251 14.5878 14.7025 15.0275 15.0649 15.1113 15.1794 15.4661 15.4780 k = 0.3906 0.2255 0.5613 ( 4776 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7134 -19.7117 -19.7105 -7.9267 -7.9261 -7.9214 -7.9192 -6.9034 -6.9028 -6.8974 -6.8920 -6.8896 -6.8849 5.5828 5.6167 8.1716 8.3705 8.8229 8.8279 9.0968 9.3896 9.5065 9.6363 10.1459 10.5189 10.7520 10.8002 11.6697 11.7974 12.6351 12.7115 14.5790 14.6980 15.0243 15.0714 15.1148 15.1776 15.4444 15.4452 k = 0.3867 0.2233 0.5741 ( 4768 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7133 -19.7118 -19.7105 -7.9267 -7.9262 -7.9215 -7.9192 -6.9035 -6.9028 -6.8975 -6.8920 -6.8897 -6.8848 5.5937 5.6274 8.1639 8.3611 8.8436 8.8565 9.0887 9.4014 9.5231 9.6372 10.1378 10.5252 10.7607 10.7937 11.6489 11.7899 12.6211 12.6991 14.5706 14.6934 15.0217 15.0763 15.1162 15.1748 15.4168 15.4297 k = 0.3828 0.2210 0.5869 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3679 -20.3658 -19.7154 -19.7133 -19.7118 -19.7105 -7.9266 -7.9262 -7.9216 -7.9192 -6.9037 -6.9029 -6.8975 -6.8920 -6.8896 -6.8848 5.6027 5.6362 8.1547 8.3488 8.8633 8.8844 9.0837 9.4137 9.5379 9.6405 10.1312 10.5307 10.7638 10.7820 11.6386 11.7916 12.6089 12.6880 14.5625 14.6886 15.0199 15.0789 15.1139 15.1712 15.3937 15.4188 k = 0.3789 0.2188 0.5996 ( 4760 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9266 -7.9263 -7.9218 -7.9192 -6.9038 -6.9030 -6.8976 -6.8920 -6.8896 -6.8848 5.6097 5.6428 8.1441 8.3335 8.8814 8.9100 9.0831 9.4267 9.5497 9.6478 10.1262 10.5356 10.7615 10.7661 11.6386 11.8017 12.5988 12.6782 14.5550 14.6836 15.0196 15.0777 15.1062 15.1671 15.3720 15.4122 k = 0.3750 0.2165 0.6124 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9266 -7.9264 -7.9219 -7.9192 -6.9040 -6.9032 -6.8976 -6.8921 -6.8895 -6.8848 5.6144 5.6470 8.1321 8.3154 8.8970 8.9314 9.0888 9.4405 9.5580 9.6603 10.1229 10.5399 10.7468 10.7544 11.6483 11.8192 12.5908 12.6697 14.5481 14.6783 15.0207 15.0709 15.0912 15.1628 15.3497 15.4091 k = 0.6250-0.0722 0.4082 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7105 -7.9266 -7.9264 -7.9219 -7.9192 -6.9040 -6.9032 -6.8976 -6.8921 -6.8895 -6.8848 5.6144 5.6470 8.1321 8.3154 8.8970 8.9314 9.0888 9.4405 9.5580 9.6603 10.1229 10.5399 10.7468 10.7544 11.6483 11.8192 12.5908 12.6697 14.5481 14.6783 15.0207 15.0709 15.0912 15.1628 15.3497 15.4091 k = 0.6184-0.0836 0.4082 ( 4762 PWs) bands (ev): -43.6834 -43.6832 -20.3678 -20.3658 -19.7154 -19.7132 -19.7119 -19.7104 -7.9265 -7.9265 -7.9222 -7.9192 -6.9042 -6.9034 -6.8976 -6.8923 -6.8893 -6.8848 5.6196 5.6512 8.1106 8.2825 8.9202 8.9611 9.1048 9.4663 9.5660 9.6895 10.1199 10.5468 10.7122 10.7377 11.6757 11.8564 12.5794 12.6570 14.5370 14.6686 15.0218 15.0484 15.0581 15.1562 15.3084 15.4056 k = 0.6118-0.0950 0.4082 ( 4762 PWs) bands (ev): -43.6834 -43.6832 -20.3677 -20.3658 -19.7154 -19.7133 -19.7118 -19.7104 -7.9266 -7.9264 -7.9224 -7.9192 -6.9044 -6.9036 -6.8976 -6.8924 -6.8891 -6.8848 5.6234 5.6539 8.0895 8.2499 8.9417 8.9876 9.1213 9.4957 9.5693 9.7234 10.1189 10.5535 10.6773 10.7186 11.7097 11.8972 12.5691 12.6450 14.5258 14.6573 14.9974 15.0134 15.0438 15.1516 15.2697 15.3806 k = 0.6053-0.1064 0.4082 ( 4762 PWs) bands (ev): -43.6834 -43.6832 -20.3677 -20.3659 -19.7154 -19.7133 -19.7118 -19.7104 -7.9267 -7.9263 -7.9226 -7.9193 -6.9046 -6.9038 -6.8976 -6.8926 -6.8889 -6.8848 5.6261 5.6553 8.0689 8.2179 8.9614 9.0117 9.1371 9.5281 9.5693 9.7596 10.1199 10.5597 10.6429 10.6979 11.7496 11.9412 12.5599 12.6340 14.5146 14.6447 14.9473 14.9655 15.0495 15.1493 15.2418 15.3471 k = 0.5987-0.1177 0.4082 ( 4750 PWs) bands (ev): -43.6834 -43.6832 -20.3677 -20.3659 -19.7154 -19.7134 -19.7117 -19.7104 -7.9268 -7.9263 -7.9228 -7.9193 -6.9049 -6.9040 -6.8975 -6.8927 -6.8887 -6.8849 5.6278 5.6557 8.0489 8.1868 8.9795 9.0340 9.1517 9.5630 9.5670 9.7965 10.1227 10.5642 10.6104 10.6762 11.7949 11.9879 12.5517 12.6238 14.5037 14.6309 14.8897 14.9084 15.0587 15.1492 15.2237 15.3205 k = 0.5921-0.1291 0.4082 ( 4774 PWs) bands (ev): -43.6834 -43.6832 -20.3676 -20.3659 -19.7154 -19.7135 -19.7116 -19.7103 -7.9269 -7.9262 -7.9230 -7.9194 -6.9051 -6.9042 -6.8975 -6.8929 -6.8885 -6.8849 5.6287 5.6551 8.0299 8.1568 8.9962 9.0550 9.1646 9.5628 9.5996 9.8330 10.1270 10.5587 10.5882 10.6545 11.8447 12.0367 12.5446 12.6145 14.4929 14.6160 14.8291 14.8469 15.0692 15.1509 15.2122 15.2998 k = 0.5855-0.1405 0.4082 ( 4766 PWs) bands (ev): -43.6834 -43.6832 -20.3675 -20.3660 -19.7154 -19.7136 -19.7115 -19.7103 -7.9270 -7.9261 -7.9232 -7.9195 -6.9053 -6.9045 -6.8974 -6.8931 -6.8883 -6.8849 5.6289 5.6537 8.0118 8.1281 9.0117 9.0753 9.1756 9.5566 9.6372 9.8684 10.1325 10.5328 10.5868 10.6333 11.8981 12.0870 12.5387 12.6062 14.4826 14.6000 14.7676 14.7845 15.0803 15.1541 15.2047 15.2835 k = 0.5789-0.1519 0.4082 ( 4760 PWs) bands (ev): -43.6834 -43.6832 -20.3675 -20.3660 -19.7154 -19.7137 -19.7114 -19.7103 -7.9271 -7.9261 -7.9233 -7.9196 -6.9055 -6.9047 -6.8974 -6.8933 -6.8881 -6.8850 5.6286 5.6518 7.9949 8.1008 9.0262 9.0952 9.1846 9.5487 9.6752 9.9022 10.1387 10.5017 10.5911 10.6133 11.9543 12.1380 12.5340 12.5989 14.4728 14.5828 14.7071 14.7238 15.0918 15.1583 15.1996 15.2701 k = 0.5724-0.1633 0.4082 ( 4764 PWs) bands (ev): -43.6834 -43.6832 -20.3674 -20.3660 -19.7154 -19.7138 -19.7113 -19.7103 -7.9271 -7.9260 -7.9234 -7.9198 -6.9057 -6.9049 -6.8973 -6.8935 -6.8879 -6.8850 5.6280 5.6495 7.9792 8.0751 9.0399 9.1150 9.1917 9.5390 9.7129 9.9338 10.1451 10.4706 10.5954 10.5958 12.0122 12.1887 12.5308 12.5927 14.4634 14.5640 14.6485 14.6668 15.1034 15.1632 15.1960 15.2591 k = 0.5658-0.1747 0.4082 ( 4768 PWs) bands (ev): -43.6833 -43.6832 -20.3674 -20.3661 -19.7153 -19.7139 -19.7112 -19.7102 -7.9272 -7.9260 -7.9234 -7.9199 -6.9059 -6.9052 -6.8972 -6.8937 -6.8877 -6.8851 5.6271 5.6468 7.9649 8.0510 9.0529 9.1348 9.1970 9.5276 9.7500 9.9632 10.1508 10.4403 10.5801 10.6001 12.0708 12.2382 12.5292 12.5876 14.4547 14.5419 14.5930 14.6160 15.1148 15.1685 15.1935 15.2497 k = 0.5592-0.1861 0.4082 ( 4780 PWs) bands (ev): -43.6833 -43.6832 -20.3673 -20.3661 -19.7153 -19.7140 -19.7111 -19.7102 -7.9272 -7.9261 -7.9234 -7.9201 -6.9061 -6.9054 -6.8971 -6.8939 -6.8875 -6.8851 5.6260 5.6439 7.9521 8.0287 9.0655 9.1547 9.2005 9.5146 9.7861 9.9902 10.1553 10.4111 10.5679 10.6037 12.1289 12.2850 12.5297 12.5839 14.4467 14.5139 14.5411 14.5752 15.1259 15.1737 15.1920 15.2415 k = 0.5526-0.1975 0.4082 ( 4776 PWs) bands (ev): -43.6833 -43.6832 -20.3672 -20.3662 -19.7153 -19.7141 -19.7110 -19.7102 -7.9273 -7.9261 -7.9233 -7.9202 -6.9062 -6.9056 -6.8970 -6.8941 -6.8873 -6.8852 5.6250 5.6410 7.9407 8.0081 9.0777 9.1746 9.2025 9.5001 9.8209 10.0147 10.1579 10.3831 10.5593 10.6064 12.1851 12.3276 12.5329 12.5816 14.4393 14.4788 14.4935 14.5458 15.1366 15.1784 15.1914 15.2345 k = 0.5461-0.2089 0.4082 ( 4780 PWs) bands (ev): -43.6833 -43.6832 -20.3672 -20.3662 -19.7152 -19.7142 -19.7109 -19.7102 -7.9273 -7.9262 -7.9232 -7.9204 -6.9063 -6.9058 -6.8968 -6.8943 -6.8871 -6.8853 5.6239 5.6381 7.9310 7.9895 9.0896 9.1931 9.2045 9.4842 9.8543 10.0366 10.1585 10.3564 10.5543 10.6081 12.2380 12.3642 12.5395 12.5811 14.4317 14.4414 14.4519 14.5239 15.1467 15.1819 15.1923 15.2283 k = 0.5395-0.2203 0.4082 ( 4776 PWs) bands (ev): -43.6833 -43.6832 -20.3671 -20.3663 -19.7152 -19.7143 -19.7108 -19.7102 -7.9273 -7.9263 -7.9231 -7.9206 -6.9064 -6.9060 -6.8967 -6.8945 -6.8869 -6.8854 5.6230 5.6352 7.9230 7.9727 9.1012 9.1985 9.2183 9.4671 9.8862 10.0556 10.1574 10.3311 10.5529 10.6086 12.2862 12.3930 12.5501 12.5825 14.4060 14.4089 14.4314 14.5056 15.1559 15.1838 15.1948 15.2230 k = 0.5329-0.2317 0.4082 ( 4778 PWs) bands (ev): -43.6833 -43.6832 -20.3670 -20.3663 -19.7151 -19.7144 -19.7107 -19.7102 -7.9273 -7.9264 -7.9229 -7.9208 -6.9065 -6.9061 -6.8965 -6.8947 -6.8868 -6.8854 5.6223 5.6325 7.9167 7.9578 9.1125 9.1962 9.2387 9.4489 9.9164 10.0705 10.1558 10.3070 10.5546 10.6079 12.3283 12.4135 12.5642 12.5861 14.3746 14.3772 14.4266 14.4895 15.1643 15.1846 15.1981 15.2184 k = 0.5263-0.2431 0.4082 ( 4778 PWs) bands (ev): -43.6833 -43.6832 -20.3669 -20.3664 -19.7151 -19.7145 -19.7106 -19.7102 -7.9272 -7.9266 -7.9228 -7.9210 -6.9066 -6.9063 -6.8964 -6.8949 -6.8866 -6.8855 5.6219 5.6301 7.9122 7.9449 9.1236 9.1921 9.2599 9.4297 9.9449 10.0794 10.1563 10.2841 10.5587 10.6058 12.3631 12.4265 12.5800 12.5919 14.3483 14.3501 14.4243 14.4750 15.1715 15.1851 15.2012 15.2146 k = 0.5197-0.2545 0.4082 ( 4784 PWs) bands (ev): -43.6833 -43.6833 -20.3669 -20.3665 -19.7150 -19.7146 -19.7105 -19.7103 -7.9272 -7.9267 -7.9226 -7.9212 -6.9066 -6.9064 -6.8962 -6.8951 -6.8864 -6.8856 5.6217 5.6279 7.9096 7.9340 9.1343 9.1865 9.2815 9.4097 9.9717 10.0797 10.1619 10.2624 10.5646 10.6025 12.3902 12.4337 12.5948 12.5991 14.3274 14.3286 14.4238 14.4620 15.1773 15.1855 15.2037 15.2116 k = 0.5132-0.2659 0.4082 ( 4790 PWs) bands (ev): -43.6833 -43.6833 -20.3668 -20.3665 -19.7150 -19.7147 -19.7105 -19.7103 -7.9271 -7.9268 -7.9224 -7.9215 -6.9066 -6.9065 -6.8960 -6.8953 -6.8863 -6.8858 5.6219 5.6260 7.9088 7.9250 9.1446 9.1799 9.3031 9.3891 9.9967 10.0718 10.1729 10.2419 10.5715 10.5980 12.4099 12.4365 12.6064 12.6066 14.3124 14.3131 14.4252 14.4508 15.1816 15.1859 15.2055 15.2095 k = 0.5066-0.2773 0.4082 ( 4800 PWs) bands (ev): -43.6833 -43.6833 -20.3667 -20.3666 -19.7149 -19.7148 -19.7104 -19.7103 -7.9271 -7.9269 -7.9221 -7.9217 -6.9066 -6.9066 -6.8959 -6.8955 -6.8861 -6.8859 5.6224 5.6244 7.9099 7.9180 9.1544 9.1722 9.3248 9.3679 10.0196 10.0580 10.1875 10.2225 10.5787 10.5923 12.4233 12.4358 12.6126 12.6133 14.3033 14.3037 14.4286 14.4414 15.1844 15.1860 15.2066 15.2082 k = 0.5000-0.2887 0.4082 ( 4800 PWs) bands (ev): -43.6833 -43.6833 -20.3667 -20.3667 -19.7148 -19.7148 -19.7104 -19.7104 -7.9270 -7.9270 -7.9219 -7.9219 -6.9066 -6.9066 -6.8957 -6.8957 -6.8860 -6.8860 5.6232 5.6232 7.9130 7.9130 9.1637 9.1637 9.3465 9.3465 10.0402 10.0402 10.2043 10.2043 10.5858 10.5858 12.4316 12.4316 12.6152 12.6152 14.3004 14.3004 14.4340 14.4340 15.1857 15.1857 15.2074 15.2074 Writing output data file TiSnPt.save init_run : 1.04s CPU 0.62s WALL ( 1 calls) electrons : 386.33s CPU 272.38s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.17s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 386.32s CPU 272.37s 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 : 0.22s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.36s CPU 0.50s WALL ( 345 calls) cegterg : 358.65s CPU 255.46s WALL ( 704 calls) Called by sum_band: Called by *egterg: h_psi : 238.72s CPU 152.85s WALL ( 12851 calls) s_psi : 7.49s CPU 5.38s WALL ( 12851 calls) g_psi : 0.57s CPU 0.41s WALL ( 11802 calls) cdiaghg : 97.82s CPU 81.56s WALL ( 12147 calls) cegterg:over : 13.71s CPU 10.12s WALL ( 11802 calls) cegterg:upda : 11.48s CPU 9.13s WALL ( 11802 calls) cegterg:last : 6.01s CPU 4.70s WALL ( 2147 calls) cdiaghg:chol : 5.46s CPU 4.61s WALL ( 12147 calls) cdiaghg:inve : 2.97s CPU 2.57s WALL ( 12147 calls) cdiaghg:para : 5.09s CPU 4.50s WALL ( 24294 calls) Called by h_psi: h_psi:vloc : 216.18s CPU 136.82s WALL ( 12851 calls) h_psi:vnl : 21.97s CPU 15.66s WALL ( 12851 calls) add_vuspsi : 12.75s CPU 8.81s WALL ( 12851 calls) General routines calbec : 9.16s CPU 6.81s WALL ( 12851 calls) fft : 0.12s CPU 0.06s WALL ( 19 calls) ffts : 0.03s CPU 0.02s WALL ( 4 calls) fftw : 203.05s CPU 127.28s WALL ( 1103552 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.38s CPU 0.83s WALL ( 690 calls) Parallel routines fft_scatter : 79.77s CPU 57.28s WALL ( 1103575 calls) PWSCF : 6m43.16s CPU 5m 6.71s WALL This run was terminated on: 4:45:31 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=