Program PWSCF v.5.1.1 starts on 25Aug2015 at 22:11:20 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), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./AlSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 11 3 518 167 28 Max 24 12 4 521 181 32 Sum 1135 547 163 24933 8291 1411 bravais-lattice index = 14 lattice parameter (alat) = 8.1993 a.u. unit-cell volume = 389.7748 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 29.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.199290 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 Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Al 3.00 26.98150 Al( 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: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0055514 0.0078509), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0111029 0.0157019), wk = 0.0028902 k( 4) = ( 0.0288462 -0.0166543 0.0235528), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0277572 0.0392546), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0333087 0.0471056), wk = 0.0028902 k( 8) = ( 0.0673077 -0.0388601 0.0549565), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0499630 0.0706584), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0555145 0.0785093), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0610659 0.0863602), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0028902 k( 14) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0028902 k( 15) = ( 0.1346154 -0.0777202 0.1099130), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0832717 0.1177639), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0943746 0.1334658), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0999260 0.1413167), wk = 0.0028902 k( 20) = ( 0.1826923 -0.1054775 0.1491676), wk = 0.0028902 k( 21) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0028902 k( 22) = ( 0.2019231 -0.1165803 0.1648695), wk = 0.0028902 k( 23) = ( 0.2115385 -0.1221318 0.1727204), wk = 0.0028902 k( 24) = ( 0.2211539 -0.1276832 0.1805714), wk = 0.0028902 k( 25) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0028902 k( 26) = ( 0.2403846 -0.1387861 0.1962732), wk = 0.0028902 k( 27) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028902 k( 28) = ( 0.2596154 -0.1498890 0.2119751), wk = 0.0028902 k( 29) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0028902 k( 30) = ( 0.2788462 -0.1609919 0.2276769), wk = 0.0028902 k( 31) = ( 0.2884615 -0.1665433 0.2355279), wk = 0.0028902 k( 32) = ( 0.2980769 -0.1720948 0.2433788), wk = 0.0028902 k( 33) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0028902 k( 34) = ( 0.3173077 -0.1831977 0.2590806), wk = 0.0028902 k( 35) = ( 0.3269231 -0.1887491 0.2669316), wk = 0.0028902 k( 36) = ( 0.3365385 -0.1943006 0.2747825), wk = 0.0028902 k( 37) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0028902 k( 38) = ( 0.3557692 -0.2054035 0.2904844), wk = 0.0028902 k( 39) = ( 0.3653846 -0.2109549 0.2983353), wk = 0.0028902 k( 40) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0028902 k( 41) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0028902 k( 42) = ( 0.3942308 -0.2276092 0.3218881), wk = 0.0028902 k( 43) = ( 0.4038462 -0.2331607 0.3297390), wk = 0.0028902 k( 44) = ( 0.4134615 -0.2387121 0.3375899), wk = 0.0028902 k( 45) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0028902 k( 46) = ( 0.4326923 -0.2498150 0.3532918), wk = 0.0028902 k( 47) = ( 0.4423077 -0.2553665 0.3611427), wk = 0.0028902 k( 48) = ( 0.4519231 -0.2609179 0.3689936), wk = 0.0028902 k( 49) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0028902 k( 50) = ( 0.4711538 -0.2720208 0.3846955), wk = 0.0028902 k( 51) = ( 0.4807692 -0.2775722 0.3925464), wk = 0.0028902 k( 52) = ( 0.4903846 -0.2831237 0.4003974), wk = 0.0028902 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 55) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0028902 k( 56) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0028902 k( 57) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0028902 k( 58) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0028902 k( 59) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0028902 k( 60) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0028902 k( 61) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0028902 k( 62) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0028902 k( 63) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0028902 k( 64) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0028902 k( 65) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0028902 k( 66) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0028902 k( 67) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0028902 k( 68) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0028902 k( 69) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0028902 k( 70) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0028902 k( 71) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0028902 k( 72) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0028902 k( 73) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0028902 k( 74) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0028902 k( 75) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0028902 k( 76) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0028902 k( 77) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0028902 k( 78) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0028902 k( 79) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0028902 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 81) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 82) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028902 k( 83) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028902 k( 84) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028902 k( 85) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028902 k( 86) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028902 k( 87) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028902 k( 88) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028902 k( 89) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028902 k( 90) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028902 k( 91) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028902 k( 92) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028902 k( 93) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028902 k( 94) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028902 k( 95) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028902 k( 96) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028902 k( 97) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028902 k( 98) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028902 k( 99) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028902 k( 100) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 101) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 102) = ( 0.3681818 0.2125699 0.6012384), wk = 0.0028902 k( 103) = ( 0.3613636 0.2086334 0.5901043), wk = 0.0028902 k( 104) = ( 0.3545454 0.2046969 0.5789703), wk = 0.0028902 k( 105) = ( 0.3477273 0.2007604 0.5678363), wk = 0.0028902 k( 106) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0028902 k( 107) = ( 0.3340909 0.1928875 0.5455682), wk = 0.0028902 k( 108) = ( 0.3272727 0.1889510 0.5344341), wk = 0.0028902 k( 109) = ( 0.3204546 0.1850145 0.5233001), wk = 0.0028902 k( 110) = ( 0.3136364 0.1810780 0.5121660), wk = 0.0028902 k( 111) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0028902 k( 112) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0028902 k( 113) = ( 0.2931818 0.1692686 0.4787639), wk = 0.0028902 k( 114) = ( 0.2863636 0.1653321 0.4676299), wk = 0.0028902 k( 115) = ( 0.2795454 0.1613956 0.4564958), wk = 0.0028902 k( 116) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0028902 k( 117) = ( 0.2659091 0.1535227 0.4342277), wk = 0.0028902 k( 118) = ( 0.2590909 0.1495862 0.4230937), wk = 0.0028902 k( 119) = ( 0.2522727 0.1456497 0.4119596), wk = 0.0028902 k( 120) = ( 0.2454545 0.1417133 0.4008256), wk = 0.0028902 k( 121) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0028902 k( 122) = ( 0.2318182 0.1338403 0.3785575), wk = 0.0028902 k( 123) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0028902 k( 124) = ( 0.2181818 0.1259673 0.3562894), wk = 0.0028902 k( 125) = ( 0.2113636 0.1220309 0.3451554), wk = 0.0028902 k( 126) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0028902 k( 127) = ( 0.1977273 0.1141579 0.3228873), wk = 0.0028902 k( 128) = ( 0.1909091 0.1102214 0.3117532), wk = 0.0028902 k( 129) = ( 0.1840909 0.1062849 0.3006192), wk = 0.0028902 k( 130) = ( 0.1772727 0.1023485 0.2894851), wk = 0.0028902 k( 131) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0028902 k( 132) = ( 0.1636364 0.0944755 0.2672171), wk = 0.0028902 k( 133) = ( 0.1568182 0.0905390 0.2560830), wk = 0.0028902 k( 134) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0028902 k( 135) = ( 0.1431818 0.0826661 0.2338149), wk = 0.0028902 k( 136) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0028902 k( 137) = ( 0.1295455 0.0747931 0.2115468), wk = 0.0028902 k( 138) = ( 0.1227273 0.0708566 0.2004128), wk = 0.0028902 k( 139) = ( 0.1159091 0.0669201 0.1892788), wk = 0.0028902 k( 140) = ( 0.1090909 0.0629837 0.1781447), wk = 0.0028902 k( 141) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0028902 k( 142) = ( 0.0954545 0.0551107 0.1558766), wk = 0.0028902 k( 143) = ( 0.0886364 0.0511742 0.1447426), wk = 0.0028902 k( 144) = ( 0.0818182 0.0472377 0.1336085), wk = 0.0028902 k( 145) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0028902 k( 146) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0028902 k( 147) = ( 0.0613636 0.0354283 0.1002064), wk = 0.0028902 k( 148) = ( 0.0545455 0.0314918 0.0890724), wk = 0.0028902 k( 149) = ( 0.0477273 0.0275554 0.0779383), wk = 0.0028902 k( 150) = ( 0.0409091 0.0236189 0.0668043), wk = 0.0028902 k( 151) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0028902 k( 152) = ( 0.0272727 0.0157459 0.0445362), wk = 0.0028902 k( 153) = ( 0.0204545 0.0118094 0.0334021), wk = 0.0028902 k( 154) = ( 0.0136364 0.0078730 0.0222681), wk = 0.0028902 k( 155) = ( 0.0068182 0.0039365 0.0111340), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0064150 0.0045361), wk = 0.0028902 k( 159) = ( 0.0222222 0.0128300 0.0090722), wk = 0.0028902 k( 160) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0028902 k( 161) = ( 0.0444444 0.0256600 0.0181444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0028902 k( 163) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0028902 k( 164) = ( 0.0777778 0.0449050 0.0317526), wk = 0.0028902 k( 165) = ( 0.0888889 0.0513200 0.0362887), wk = 0.0028902 k( 166) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0028902 k( 167) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0028902 k( 168) = ( 0.1222222 0.0705650 0.0498970), wk = 0.0028902 k( 169) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0028902 k( 170) = ( 0.1444444 0.0833950 0.0589692), wk = 0.0028902 k( 171) = ( 0.1555556 0.0898100 0.0635053), wk = 0.0028902 k( 172) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0028902 k( 173) = ( 0.1777778 0.1026400 0.0725775), wk = 0.0028902 k( 174) = ( 0.1888889 0.1090551 0.0771136), wk = 0.0028902 k( 175) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0028902 k( 176) = ( 0.2111111 0.1218851 0.0861857), wk = 0.0028902 k( 177) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0028902 k( 178) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0028902 k( 179) = ( 0.2444444 0.1411301 0.0997940), wk = 0.0028902 k( 180) = ( 0.2555556 0.1475451 0.1043301), wk = 0.0028902 k( 181) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0028902 k( 182) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0028902 k( 183) = ( 0.2888889 0.1667901 0.1179384), wk = 0.0028902 k( 184) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0028902 k( 185) = ( 0.3111111 0.1796201 0.1270106), wk = 0.0028902 k( 186) = ( 0.3222222 0.1860351 0.1315467), wk = 0.0028902 k( 187) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0028902 k( 188) = ( 0.3444444 0.1988651 0.1406189), wk = 0.0028902 k( 189) = ( 0.3555556 0.2052801 0.1451549), wk = 0.0028902 k( 190) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0028902 k( 191) = ( 0.3777778 0.2181101 0.1542271), wk = 0.0028902 k( 192) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0028902 k( 193) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0028902 k( 194) = ( 0.4111111 0.2373551 0.1678354), wk = 0.0028902 k( 195) = ( 0.4222222 0.2437701 0.1723715), wk = 0.0028902 k( 196) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0028902 k( 197) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0028902 k( 198) = ( 0.4555556 0.2630151 0.1859798), wk = 0.0028902 k( 199) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0028902 k( 200) = ( 0.4777778 0.2758451 0.1950520), wk = 0.0028902 k( 201) = ( 0.4888889 0.2822601 0.1995881), wk = 0.0028902 k( 202) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 203) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 204) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028902 k( 205) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028902 k( 206) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028902 k( 207) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028902 k( 208) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028902 k( 209) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028902 k( 210) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028902 k( 211) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028902 k( 212) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028902 k( 213) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028902 k( 214) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028902 k( 215) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028902 k( 216) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028902 k( 217) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028902 k( 218) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028902 k( 219) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028902 k( 220) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028902 k( 221) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028902 k( 222) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028902 k( 223) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028902 k( 224) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028902 k( 225) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028902 k( 226) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028902 k( 227) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028902 k( 228) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028902 k( 229) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028902 k( 230) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028902 k( 231) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028902 k( 232) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028902 k( 233) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028902 k( 234) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028902 k( 235) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 236) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 237) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028902 k( 238) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028902 k( 239) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028902 k( 240) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028902 k( 241) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028902 k( 242) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028902 k( 243) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028902 k( 244) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028902 k( 245) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028902 k( 246) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028902 k( 247) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028902 k( 248) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028902 k( 249) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028902 k( 250) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028902 k( 251) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028902 k( 252) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028902 k( 253) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028902 k( 254) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028902 k( 255) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 256) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 257) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028902 k( 258) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028902 k( 259) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028902 k( 260) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028902 k( 261) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028902 k( 262) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028902 k( 263) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028902 k( 264) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028902 k( 265) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028902 k( 266) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028902 k( 267) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028902 k( 268) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028902 k( 269) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028902 k( 270) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028902 k( 271) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028902 k( 272) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028902 k( 273) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028902 k( 274) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028902 k( 275) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028902 k( 276) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028902 k( 277) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028902 k( 278) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028902 k( 279) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028902 k( 280) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028902 k( 281) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028902 k( 282) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028902 k( 283) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028902 k( 284) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028902 k( 285) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028902 k( 286) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028902 k( 287) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028902 k( 288) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028902 k( 289) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028902 k( 290) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028902 k( 291) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028902 k( 292) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028902 k( 293) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 294) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 295) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028902 k( 296) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028902 k( 297) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028902 k( 298) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028902 k( 299) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028902 k( 300) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028902 k( 301) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028902 k( 302) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028902 k( 303) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028902 k( 304) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028902 k( 305) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028902 k( 306) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028902 k( 307) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028902 k( 308) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028902 k( 309) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028902 k( 310) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028902 k( 311) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028902 k( 312) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028902 k( 313) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028902 k( 314) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028902 k( 315) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028902 k( 316) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028902 k( 317) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028902 k( 318) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028902 k( 319) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028902 k( 320) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028902 k( 321) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028902 k( 322) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028902 k( 323) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028902 k( 324) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028902 k( 325) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028902 k( 326) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 327) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 328) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028902 k( 329) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028902 k( 330) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028902 k( 331) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028902 k( 332) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028902 k( 333) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028902 k( 334) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028902 k( 335) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028902 k( 336) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028902 k( 337) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028902 k( 338) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028902 k( 339) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028902 k( 340) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028902 k( 341) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028902 k( 342) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028902 k( 343) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028902 k( 344) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028902 k( 345) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028902 k( 346) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0000000 0.0096154), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0000000 0.0192308), wk = 0.0028902 k( 4) = ( 0.0288462 0.0000000 0.0288462), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0000000 0.0384615), wk = 0.0028902 k( 6) = ( 0.0480769 0.0000000 0.0480769), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0000000 0.0576923), wk = 0.0028902 k( 8) = ( 0.0673077 0.0000000 0.0673077), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0000000 0.0865385), wk = 0.0028902 k( 11) = ( 0.0961538 0.0000000 0.0961538), wk = 0.0028902 k( 12) = ( 0.1057692 0.0000000 0.1057692), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0028902 k( 14) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0028902 k( 15) = ( 0.1346154 0.0000000 0.1346154), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0000000 0.1442308), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0000000 0.1538461), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0000000 0.1634615), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0000000 0.1730769), wk = 0.0028902 k( 20) = ( 0.1826923 0.0000000 0.1826923), wk = 0.0028902 k( 21) = ( 0.1923077 0.0000000 0.1923077), wk = 0.0028902 k( 22) = ( 0.2019231 0.0000000 0.2019231), wk = 0.0028902 k( 23) = ( 0.2115385 0.0000000 0.2115385), wk = 0.0028902 k( 24) = ( 0.2211539 0.0000000 0.2211539), wk = 0.0028902 k( 25) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0028902 k( 26) = ( 0.2403846 0.0000000 0.2403846), wk = 0.0028902 k( 27) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028902 k( 28) = ( 0.2596154 -0.0000000 0.2596154), wk = 0.0028902 k( 29) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0028902 k( 30) = ( 0.2788462 0.0000000 0.2788462), wk = 0.0028902 k( 31) = ( 0.2884615 -0.0000000 0.2884615), wk = 0.0028902 k( 32) = ( 0.2980769 0.0000000 0.2980769), wk = 0.0028902 k( 33) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0028902 k( 34) = ( 0.3173077 -0.0000000 0.3173077), wk = 0.0028902 k( 35) = ( 0.3269231 -0.0000000 0.3269231), wk = 0.0028902 k( 36) = ( 0.3365385 0.0000000 0.3365385), wk = 0.0028902 k( 37) = ( 0.3461538 -0.0000000 0.3461538), wk = 0.0028902 k( 38) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0028902 k( 39) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0028902 k( 40) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0028902 k( 41) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0028902 k( 42) = ( 0.3942308 0.0000000 0.3942308), wk = 0.0028902 k( 43) = ( 0.4038462 0.0000000 0.4038462), wk = 0.0028902 k( 44) = ( 0.4134615 0.0000000 0.4134615), wk = 0.0028902 k( 45) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0028902 k( 46) = ( 0.4326923 0.0000000 0.4326923), wk = 0.0028902 k( 47) = ( 0.4423077 0.0000000 0.4423077), wk = 0.0028902 k( 48) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0028902 k( 49) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0028902 k( 50) = ( 0.4711538 0.0000000 0.4711538), wk = 0.0028902 k( 51) = ( 0.4807692 0.0000000 0.4807692), wk = 0.0028902 k( 52) = ( 0.4903846 0.0000000 0.4903846), wk = 0.0028902 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 55) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0028902 k( 56) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0028902 k( 57) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0028902 k( 58) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0028902 k( 59) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0028902 k( 60) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0028902 k( 61) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0028902 k( 62) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0028902 k( 63) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0028902 k( 64) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0028902 k( 65) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0028902 k( 66) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0028902 k( 67) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0028902 k( 68) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0028902 k( 69) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0028902 k( 70) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0028902 k( 71) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0028902 k( 72) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0028902 k( 73) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0028902 k( 74) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0028902 k( 75) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0028902 k( 76) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0028902 k( 77) = ( 0.5000000 0.2211539 0.7211538), wk = 0.0028902 k( 78) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028902 k( 79) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028902 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 81) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 82) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028902 k( 83) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028902 k( 84) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028902 k( 85) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028902 k( 86) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028902 k( 87) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028902 k( 88) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028902 k( 89) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028902 k( 90) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028902 k( 91) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028902 k( 92) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028902 k( 93) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028902 k( 94) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028902 k( 95) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028902 k( 96) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028902 k( 97) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028902 k( 98) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028902 k( 99) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028902 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 101) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 102) = ( 0.3681818 0.3681818 0.7363636), wk = 0.0028902 k( 103) = ( 0.3613636 0.3613636 0.7227273), wk = 0.0028902 k( 104) = ( 0.3545454 0.3545454 0.7090909), wk = 0.0028902 k( 105) = ( 0.3477273 0.3477273 0.6954546), wk = 0.0028902 k( 106) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0028902 k( 107) = ( 0.3340909 0.3340909 0.6681818), wk = 0.0028902 k( 108) = ( 0.3272727 0.3272727 0.6545455), wk = 0.0028902 k( 109) = ( 0.3204546 0.3204546 0.6409091), wk = 0.0028902 k( 110) = ( 0.3136364 0.3136364 0.6272727), wk = 0.0028902 k( 111) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0028902 k( 112) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0028902 k( 113) = ( 0.2931818 0.2931818 0.5863636), wk = 0.0028902 k( 114) = ( 0.2863636 0.2863636 0.5727273), wk = 0.0028902 k( 115) = ( 0.2795454 0.2795454 0.5590909), wk = 0.0028902 k( 116) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0028902 k( 117) = ( 0.2659091 0.2659091 0.5318182), wk = 0.0028902 k( 118) = ( 0.2590909 0.2590909 0.5181818), wk = 0.0028902 k( 119) = ( 0.2522727 0.2522727 0.5045454), wk = 0.0028902 k( 120) = ( 0.2454545 0.2454545 0.4909091), wk = 0.0028902 k( 121) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0028902 k( 122) = ( 0.2318182 0.2318182 0.4636364), wk = 0.0028902 k( 123) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0028902 k( 124) = ( 0.2181818 0.2181818 0.4363636), wk = 0.0028902 k( 125) = ( 0.2113636 0.2113636 0.4227273), wk = 0.0028902 k( 126) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0028902 k( 127) = ( 0.1977273 0.1977273 0.3954546), wk = 0.0028902 k( 128) = ( 0.1909091 0.1909091 0.3818182), wk = 0.0028902 k( 129) = ( 0.1840909 0.1840909 0.3681818), wk = 0.0028902 k( 130) = ( 0.1772727 0.1772727 0.3545454), wk = 0.0028902 k( 131) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0028902 k( 132) = ( 0.1636364 0.1636364 0.3272727), wk = 0.0028902 k( 133) = ( 0.1568182 0.1568182 0.3136364), wk = 0.0028902 k( 134) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0028902 k( 135) = ( 0.1431818 0.1431818 0.2863636), wk = 0.0028902 k( 136) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0028902 k( 137) = ( 0.1295455 0.1295455 0.2590909), wk = 0.0028902 k( 138) = ( 0.1227273 0.1227273 0.2454545), wk = 0.0028902 k( 139) = ( 0.1159091 0.1159091 0.2318182), wk = 0.0028902 k( 140) = ( 0.1090909 0.1090909 0.2181818), wk = 0.0028902 k( 141) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0028902 k( 142) = ( 0.0954545 0.0954546 0.1909091), wk = 0.0028902 k( 143) = ( 0.0886364 0.0886364 0.1772727), wk = 0.0028902 k( 144) = ( 0.0818182 0.0818182 0.1636364), wk = 0.0028902 k( 145) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0028902 k( 146) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0028902 k( 147) = ( 0.0613636 0.0613636 0.1227273), wk = 0.0028902 k( 148) = ( 0.0545455 0.0545455 0.1090909), wk = 0.0028902 k( 149) = ( 0.0477273 0.0477273 0.0954545), wk = 0.0028902 k( 150) = ( 0.0409091 0.0409091 0.0818182), wk = 0.0028902 k( 151) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0028902 k( 152) = ( 0.0272727 0.0272727 0.0545455), wk = 0.0028902 k( 153) = ( 0.0204545 0.0204545 0.0409091), wk = 0.0028902 k( 154) = ( 0.0136364 0.0136364 0.0272727), wk = 0.0028902 k( 155) = ( 0.0068182 0.0068182 0.0136364), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0028902 k( 159) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0028902 k( 160) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0028902 k( 161) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028902 k( 163) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0028902 k( 164) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0028902 k( 165) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0028902 k( 166) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028902 k( 167) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028902 k( 168) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0028902 k( 169) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0028902 k( 170) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0028902 k( 171) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0028902 k( 172) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028902 k( 173) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0028902 k( 174) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0028902 k( 175) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028902 k( 176) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0028902 k( 177) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028902 k( 178) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0028902 k( 179) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0028902 k( 180) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0028902 k( 181) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0028902 k( 182) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028902 k( 183) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0028902 k( 184) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028902 k( 185) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0028902 k( 186) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0028902 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028902 k( 188) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0028902 k( 189) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0028902 k( 190) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0028902 k( 191) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0028902 k( 192) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028902 k( 193) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028902 k( 194) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0028902 k( 195) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0028902 k( 196) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0028902 k( 197) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028902 k( 198) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0028902 k( 199) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0028902 k( 200) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0028902 k( 201) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0028902 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 204) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028902 k( 205) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028902 k( 206) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0028902 k( 207) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028902 k( 208) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028902 k( 209) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028902 k( 210) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028902 k( 211) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028902 k( 212) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028902 k( 213) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028902 k( 214) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0028902 k( 215) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028902 k( 216) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028902 k( 217) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028902 k( 218) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028902 k( 219) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028902 k( 220) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028902 k( 221) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028902 k( 222) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0028902 k( 223) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028902 k( 224) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028902 k( 225) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028902 k( 226) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0028902 k( 227) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028902 k( 228) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028902 k( 229) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028902 k( 230) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028902 k( 231) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028902 k( 232) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028902 k( 233) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028902 k( 234) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028902 k( 235) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 236) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 237) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028902 k( 238) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028902 k( 239) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028902 k( 240) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028902 k( 241) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028902 k( 242) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028902 k( 243) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028902 k( 244) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028902 k( 245) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028902 k( 246) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028902 k( 247) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028902 k( 248) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028902 k( 249) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028902 k( 250) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028902 k( 251) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028902 k( 252) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028902 k( 253) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028902 k( 254) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028902 k( 255) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 256) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 257) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028902 k( 258) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028902 k( 259) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028902 k( 260) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028902 k( 261) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028902 k( 262) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028902 k( 263) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028902 k( 264) = ( 0.5000000 0.3040541 0.6959460), wk = 0.0028902 k( 265) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028902 k( 266) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028902 k( 267) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028902 k( 268) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028902 k( 269) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028902 k( 270) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028902 k( 271) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028902 k( 272) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028902 k( 273) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028902 k( 274) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028902 k( 275) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028902 k( 276) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028902 k( 277) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028902 k( 278) = ( 0.5000000 0.3986486 0.6013514), wk = 0.0028902 k( 279) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028902 k( 280) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028902 k( 281) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028902 k( 282) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028902 k( 283) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028902 k( 284) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028902 k( 285) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028902 k( 286) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028902 k( 287) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028902 k( 288) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028902 k( 289) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028902 k( 290) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028902 k( 291) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028902 k( 292) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028902 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 295) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0028902 k( 296) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028902 k( 297) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028902 k( 298) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028902 k( 299) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0028902 k( 300) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028902 k( 301) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028902 k( 302) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028902 k( 303) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0028902 k( 304) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028902 k( 305) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0028902 k( 306) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028902 k( 307) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0028902 k( 308) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028902 k( 309) = ( 0.4414062 0.4414063 0.6171875), wk = 0.0028902 k( 310) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028902 k( 311) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0028902 k( 312) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028902 k( 313) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028902 k( 314) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028902 k( 315) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0028902 k( 316) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028902 k( 317) = ( 0.4101562 0.4101563 0.6796875), wk = 0.0028902 k( 318) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028902 k( 319) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028902 k( 320) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028902 k( 321) = ( 0.3945312 0.3945313 0.7109375), wk = 0.0028902 k( 322) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028902 k( 323) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028902 k( 324) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028902 k( 325) = ( 0.3789062 0.3789063 0.7421875), wk = 0.0028902 k( 326) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 327) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 328) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028902 k( 329) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028902 k( 330) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028902 k( 331) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028902 k( 332) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028902 k( 333) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028902 k( 334) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028902 k( 335) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028902 k( 336) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028902 k( 337) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028902 k( 338) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028902 k( 339) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028902 k( 340) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028902 k( 341) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028902 k( 342) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028902 k( 343) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028902 k( 344) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028902 k( 345) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028902 k( 346) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 Dense grid: 24933 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 8291 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 46, 16) NL pseudopotentials 0.02 Mb ( 23, 48) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 521) G-vector shells 0.00 Mb ( 184) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.04 Mb ( 46, 64) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.02 Mb ( 48, 2, 16) The potential is recalculated from file : ./AlSb.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 39.9 secs Computing kpt #: 2 total cpu time spent up to now is 40.2 secs Computing kpt #: 3 total cpu time spent up to now is 40.3 secs Computing kpt #: 4 total cpu time spent up to now is 40.4 secs Computing kpt #: 5 total cpu time spent up to now is 40.5 secs Computing kpt #: 6 total cpu time spent up to now is 40.7 secs Computing kpt #: 7 total cpu time spent up to now is 40.8 secs Computing kpt #: 8 total cpu time spent up to now is 40.9 secs Computing kpt #: 9 total cpu time spent up to now is 41.0 secs Computing kpt #: 10 total cpu time spent up to now is 41.2 secs Computing kpt #: 11 total cpu time spent up to now is 41.3 secs Computing kpt #: 12 total cpu time spent up to now is 41.5 secs Computing kpt #: 13 total cpu time spent up to now is 41.6 secs Computing kpt #: 14 total cpu time spent up to now is 41.8 secs Computing kpt #: 15 total cpu time spent up to now is 41.9 secs Computing kpt #: 16 total cpu time spent up to now is 42.1 secs Computing kpt #: 17 total cpu time spent up to now is 42.2 secs Computing kpt #: 18 total cpu time spent up to now is 42.3 secs Computing kpt #: 19 total cpu time spent up to now is 42.5 secs Computing kpt #: 20 total cpu time spent up to now is 42.6 secs Computing kpt #: 21 total cpu time spent up to now is 42.8 secs Computing kpt #: 22 total cpu time spent up to now is 42.9 secs Computing kpt #: 23 total cpu time spent up to now is 43.1 secs Computing kpt #: 24 total cpu time spent up to now is 43.2 secs Computing kpt #: 25 total cpu time spent up to now is 43.4 secs Computing kpt #: 26 total cpu time spent up to now is 43.5 secs Computing kpt #: 27 total cpu time spent up to now is 43.7 secs Computing kpt #: 28 total cpu time spent up to now is 43.8 secs Computing kpt #: 29 total cpu time spent up to now is 43.9 secs Computing kpt #: 30 total cpu time spent up to now is 44.1 secs Computing kpt #: 31 total cpu time spent up to now is 44.3 secs Computing kpt #: 32 total cpu time spent up to now is 44.4 secs Computing kpt #: 33 total cpu time spent up to now is 44.5 secs Computing kpt #: 34 total cpu time spent up to now is 44.7 secs Computing kpt #: 35 total cpu time spent up to now is 44.8 secs Computing kpt #: 36 total cpu time spent up to now is 45.0 secs Computing kpt #: 37 total cpu time spent up to now is 45.1 secs Computing kpt #: 38 total cpu time spent up to now is 45.3 secs Computing kpt #: 39 total cpu time spent up to now is 45.4 secs Computing kpt #: 40 total cpu time spent up to now is 45.5 secs Computing kpt #: 41 total cpu time spent up to now is 45.7 secs Computing kpt #: 42 total cpu time spent up to now is 46.2 secs Computing kpt #: 43 total cpu time spent up to now is 46.3 secs Computing kpt #: 44 total cpu time spent up to now is 46.5 secs Computing kpt #: 45 total cpu time spent up to now is 46.6 secs Computing kpt #: 46 total cpu time spent up to now is 46.8 secs Computing kpt #: 47 total cpu time spent up to now is 46.9 secs Computing kpt #: 48 total cpu time spent up to now is 47.1 secs Computing kpt #: 49 total cpu time spent up to now is 47.2 secs Computing kpt #: 50 total cpu time spent up to now is 47.4 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 47.7 secs Computing kpt #: 53 total cpu time spent up to now is 47.8 secs Computing kpt #: 54 total cpu time spent up to now is 48.0 secs Computing kpt #: 55 total cpu time spent up to now is 48.1 secs Computing kpt #: 56 total cpu time spent up to now is 48.3 secs Computing kpt #: 57 total cpu time spent up to now is 48.4 secs Computing kpt #: 58 total cpu time spent up to now is 48.6 secs Computing kpt #: 59 total cpu time spent up to now is 48.9 secs Computing kpt #: 60 total cpu time spent up to now is 49.1 secs Computing kpt #: 61 total cpu time spent up to now is 49.4 secs Computing kpt #: 62 total cpu time spent up to now is 49.6 secs Computing kpt #: 63 total cpu time spent up to now is 49.8 secs Computing kpt #: 64 total cpu time spent up to now is 50.0 secs Computing kpt #: 65 total cpu time spent up to now is 50.2 secs Computing kpt #: 66 total cpu time spent up to now is 50.4 secs Computing kpt #: 67 total cpu time spent up to now is 50.6 secs Computing kpt #: 68 total cpu time spent up to now is 50.8 secs Computing kpt #: 69 total cpu time spent up to now is 51.0 secs Computing kpt #: 70 total cpu time spent up to now is 51.2 secs Computing kpt #: 71 total cpu time spent up to now is 51.3 secs Computing kpt #: 72 total cpu time spent up to now is 51.5 secs Computing kpt #: 73 total cpu time spent up to now is 51.6 secs Computing kpt #: 74 total cpu time spent up to now is 51.8 secs Computing kpt #: 75 total cpu time spent up to now is 51.9 secs Computing kpt #: 76 total cpu time spent up to now is 52.1 secs Computing kpt #: 77 total cpu time spent up to now is 52.2 secs Computing kpt #: 78 total cpu time spent up to now is 52.4 secs Computing kpt #: 79 total cpu time spent up to now is 52.7 secs Computing kpt #: 80 total cpu time spent up to now is 53.1 secs Computing kpt #: 81 total cpu time spent up to now is 53.5 secs Computing kpt #: 82 total cpu time spent up to now is 53.8 secs Computing kpt #: 83 total cpu time spent up to now is 54.0 secs Computing kpt #: 84 total cpu time spent up to now is 54.2 secs Computing kpt #: 85 total cpu time spent up to now is 54.4 secs Computing kpt #: 86 total cpu time spent up to now is 54.7 secs Computing kpt #: 87 total cpu time spent up to now is 54.9 secs Computing kpt #: 88 total cpu time spent up to now is 55.2 secs Computing kpt #: 89 total cpu time spent up to now is 55.3 secs Computing kpt #: 90 total cpu time spent up to now is 55.5 secs Computing kpt #: 91 total cpu time spent up to now is 55.7 secs Computing kpt #: 92 total cpu time spent up to now is 55.9 secs Computing kpt #: 93 total cpu time spent up to now is 56.1 secs Computing kpt #: 94 total cpu time spent up to now is 56.6 secs Computing kpt #: 95 total cpu time spent up to now is 57.2 secs Computing kpt #: 96 total cpu time spent up to now is 57.8 secs Computing kpt #: 97 total cpu time spent up to now is 58.2 secs Computing kpt #: 98 total cpu time spent up to now is 58.6 secs Computing kpt #: 99 total cpu time spent up to now is 59.4 secs Computing kpt #: 100 total cpu time spent up to now is 60.0 secs Computing kpt #: 101 total cpu time spent up to now is 60.3 secs Computing kpt #: 102 total cpu time spent up to now is 60.5 secs Computing kpt #: 103 total cpu time spent up to now is 60.8 secs Computing kpt #: 104 total cpu time spent up to now is 61.3 secs Computing kpt #: 105 total cpu time spent up to now is 61.5 secs Computing kpt #: 106 total cpu time spent up to now is 61.7 secs Computing kpt #: 107 total cpu time spent up to now is 61.9 secs Computing kpt #: 108 total cpu time spent up to now is 62.1 secs Computing kpt #: 109 total cpu time spent up to now is 62.3 secs Computing kpt #: 110 total cpu time spent up to now is 62.5 secs Computing kpt #: 111 total cpu time spent up to now is 62.7 secs Computing kpt #: 112 total cpu time spent up to now is 62.9 secs Computing kpt #: 113 total cpu time spent up to now is 63.1 secs Computing kpt #: 114 total cpu time spent up to now is 63.3 secs Computing kpt #: 115 total cpu time spent up to now is 63.4 secs Computing kpt #: 116 total cpu time spent up to now is 63.6 secs Computing kpt #: 117 total cpu time spent up to now is 63.7 secs Computing kpt #: 118 total cpu time spent up to now is 63.9 secs Computing kpt #: 119 total cpu time spent up to now is 64.0 secs Computing kpt #: 120 total cpu time spent up to now is 64.2 secs Computing kpt #: 121 total cpu time spent up to now is 64.3 secs Computing kpt #: 122 total cpu time spent up to now is 64.5 secs Computing kpt #: 123 total cpu time spent up to now is 64.6 secs Computing kpt #: 124 total cpu time spent up to now is 64.7 secs Computing kpt #: 125 total cpu time spent up to now is 64.9 secs Computing kpt #: 126 total cpu time spent up to now is 65.0 secs Computing kpt #: 127 total cpu time spent up to now is 65.2 secs Computing kpt #: 128 total cpu time spent up to now is 65.3 secs Computing kpt #: 129 total cpu time spent up to now is 65.8 secs Computing kpt #: 130 total cpu time spent up to now is 65.9 secs Computing kpt #: 131 total cpu time spent up to now is 66.1 secs Computing kpt #: 132 total cpu time spent up to now is 66.4 secs Computing kpt #: 133 total cpu time spent up to now is 66.5 secs Computing kpt #: 134 total cpu time spent up to now is 66.7 secs Computing kpt #: 135 total cpu time spent up to now is 67.6 secs Computing kpt #: 136 total cpu time spent up to now is 68.0 secs Computing kpt #: 137 total cpu time spent up to now is 68.2 secs Computing kpt #: 138 total cpu time spent up to now is 68.4 secs Computing kpt #: 139 total cpu time spent up to now is 68.8 secs Computing kpt #: 140 total cpu time spent up to now is 69.3 secs Computing kpt #: 141 total cpu time spent up to now is 69.7 secs Computing kpt #: 142 total cpu time spent up to now is 69.9 secs Computing kpt #: 143 total cpu time spent up to now is 70.2 secs Computing kpt #: 144 total cpu time spent up to now is 70.5 secs Computing kpt #: 145 total cpu time spent up to now is 70.8 secs Computing kpt #: 146 total cpu time spent up to now is 71.1 secs Computing kpt #: 147 total cpu time spent up to now is 71.4 secs Computing kpt #: 148 total cpu time spent up to now is 71.6 secs Computing kpt #: 149 total cpu time spent up to now is 71.8 secs Computing kpt #: 150 total cpu time spent up to now is 72.0 secs Computing kpt #: 151 total cpu time spent up to now is 72.2 secs Computing kpt #: 152 total cpu time spent up to now is 72.4 secs Computing kpt #: 153 total cpu time spent up to now is 72.8 secs Computing kpt #: 154 total cpu time spent up to now is 73.2 secs Computing kpt #: 155 total cpu time spent up to now is 73.4 secs Computing kpt #: 156 total cpu time spent up to now is 73.6 secs Computing kpt #: 157 total cpu time spent up to now is 73.8 secs Computing kpt #: 158 total cpu time spent up to now is 73.9 secs Computing kpt #: 159 total cpu time spent up to now is 74.2 secs Computing kpt #: 160 total cpu time spent up to now is 74.5 secs Computing kpt #: 161 total cpu time spent up to now is 74.9 secs Computing kpt #: 162 total cpu time spent up to now is 75.1 secs Computing kpt #: 163 total cpu time spent up to now is 75.3 secs Computing kpt #: 164 total cpu time spent up to now is 75.4 secs Computing kpt #: 165 total cpu time spent up to now is 75.5 secs Computing kpt #: 166 total cpu time spent up to now is 75.6 secs Computing kpt #: 167 total cpu time spent up to now is 75.8 secs Computing kpt #: 168 total cpu time spent up to now is 75.9 secs Computing kpt #: 169 total cpu time spent up to now is 76.0 secs Computing kpt #: 170 total cpu time spent up to now is 76.1 secs Computing kpt #: 171 total cpu time spent up to now is 76.3 secs Computing kpt #: 172 total cpu time spent up to now is 76.4 secs Computing kpt #: 173 total cpu time spent up to now is 76.6 secs Computing kpt #: 174 total cpu time spent up to now is 76.7 secs Computing kpt #: 175 total cpu time spent up to now is 76.8 secs Computing kpt #: 176 total cpu time spent up to now is 77.0 secs Computing kpt #: 177 total cpu time spent up to now is 77.1 secs Computing kpt #: 178 total cpu time spent up to now is 77.3 secs Computing kpt #: 179 total cpu time spent up to now is 77.4 secs Computing kpt #: 180 total cpu time spent up to now is 77.6 secs Computing kpt #: 181 total cpu time spent up to now is 77.7 secs Computing kpt #: 182 total cpu time spent up to now is 77.9 secs Computing kpt #: 183 total cpu time spent up to now is 78.1 secs Computing kpt #: 184 total cpu time spent up to now is 78.2 secs Computing kpt #: 185 total cpu time spent up to now is 78.4 secs Computing kpt #: 186 total cpu time spent up to now is 78.6 secs Computing kpt #: 187 total cpu time spent up to now is 78.8 secs Computing kpt #: 188 total cpu time spent up to now is 79.1 secs Computing kpt #: 189 total cpu time spent up to now is 79.3 secs Computing kpt #: 190 total cpu time spent up to now is 79.6 secs Computing kpt #: 191 total cpu time spent up to now is 80.0 secs Computing kpt #: 192 total cpu time spent up to now is 80.5 secs Computing kpt #: 193 total cpu time spent up to now is 80.8 secs Computing kpt #: 194 total cpu time spent up to now is 81.3 secs Computing kpt #: 195 total cpu time spent up to now is 81.5 secs Computing kpt #: 196 total cpu time spent up to now is 81.7 secs Computing kpt #: 197 total cpu time spent up to now is 81.9 secs Computing kpt #: 198 total cpu time spent up to now is 82.4 secs Computing kpt #: 199 total cpu time spent up to now is 82.6 secs Computing kpt #: 200 total cpu time spent up to now is 82.8 secs Computing kpt #: 201 total cpu time spent up to now is 83.2 secs Computing kpt #: 202 total cpu time spent up to now is 83.4 secs Computing kpt #: 203 total cpu time spent up to now is 83.6 secs Computing kpt #: 204 total cpu time spent up to now is 83.9 secs Computing kpt #: 205 total cpu time spent up to now is 84.3 secs Computing kpt #: 206 total cpu time spent up to now is 84.9 secs Computing kpt #: 207 total cpu time spent up to now is 85.4 secs Computing kpt #: 208 total cpu time spent up to now is 85.5 secs Computing kpt #: 209 total cpu time spent up to now is 85.8 secs Computing kpt #: 210 total cpu time spent up to now is 86.0 secs Computing kpt #: 211 total cpu time spent up to now is 86.2 secs Computing kpt #: 212 total cpu time spent up to now is 86.5 secs Computing kpt #: 213 total cpu time spent up to now is 87.4 secs Computing kpt #: 214 total cpu time spent up to now is 88.0 secs Computing kpt #: 215 total cpu time spent up to now is 88.2 secs Computing kpt #: 216 total cpu time spent up to now is 88.4 secs Computing kpt #: 217 total cpu time spent up to now is 88.7 secs Computing kpt #: 218 total cpu time spent up to now is 88.9 secs Computing kpt #: 219 total cpu time spent up to now is 89.1 secs Computing kpt #: 220 total cpu time spent up to now is 89.3 secs Computing kpt #: 221 total cpu time spent up to now is 89.4 secs Computing kpt #: 222 total cpu time spent up to now is 89.6 secs Computing kpt #: 223 total cpu time spent up to now is 89.8 secs Computing kpt #: 224 total cpu time spent up to now is 90.0 secs Computing kpt #: 225 total cpu time spent up to now is 90.1 secs Computing kpt #: 226 total cpu time spent up to now is 90.3 secs Computing kpt #: 227 total cpu time spent up to now is 90.4 secs Computing kpt #: 228 total cpu time spent up to now is 90.6 secs Computing kpt #: 229 total cpu time spent up to now is 90.8 secs Computing kpt #: 230 total cpu time spent up to now is 91.0 secs Computing kpt #: 231 total cpu time spent up to now is 91.6 secs Computing kpt #: 232 total cpu time spent up to now is 92.0 secs Computing kpt #: 233 total cpu time spent up to now is 92.3 secs Computing kpt #: 234 total cpu time spent up to now is 92.6 secs Computing kpt #: 235 total cpu time spent up to now is 92.8 secs Computing kpt #: 236 total cpu time spent up to now is 93.1 secs Computing kpt #: 237 total cpu time spent up to now is 93.3 secs Computing kpt #: 238 total cpu time spent up to now is 93.5 secs Computing kpt #: 239 total cpu time spent up to now is 93.9 secs Computing kpt #: 240 total cpu time spent up to now is 94.2 secs Computing kpt #: 241 total cpu time spent up to now is 94.5 secs Computing kpt #: 242 total cpu time spent up to now is 94.8 secs Computing kpt #: 243 total cpu time spent up to now is 94.9 secs Computing kpt #: 244 total cpu time spent up to now is 95.1 secs Computing kpt #: 245 total cpu time spent up to now is 96.0 secs Computing kpt #: 246 total cpu time spent up to now is 96.2 secs Computing kpt #: 247 total cpu time spent up to now is 96.4 secs Computing kpt #: 248 total cpu time spent up to now is 96.8 secs Computing kpt #: 249 total cpu time spent up to now is 97.0 secs Computing kpt #: 250 total cpu time spent up to now is 97.4 secs Computing kpt #: 251 total cpu time spent up to now is 97.6 secs Computing kpt #: 252 total cpu time spent up to now is 97.9 secs Computing kpt #: 253 total cpu time spent up to now is 98.1 secs Computing kpt #: 254 total cpu time spent up to now is 98.4 secs Computing kpt #: 255 total cpu time spent up to now is 99.2 secs Computing kpt #: 256 total cpu time spent up to now is 99.3 secs Computing kpt #: 257 total cpu time spent up to now is 99.5 secs Computing kpt #: 258 total cpu time spent up to now is 99.6 secs Computing kpt #: 259 total cpu time spent up to now is 99.8 secs Computing kpt #: 260 total cpu time spent up to now is 99.9 secs Computing kpt #: 261 total cpu time spent up to now is 100.0 secs Computing kpt #: 262 total cpu time spent up to now is 100.2 secs Computing kpt #: 263 total cpu time spent up to now is 100.3 secs Computing kpt #: 264 total cpu time spent up to now is 100.5 secs Computing kpt #: 265 total cpu time spent up to now is 100.7 secs Computing kpt #: 266 total cpu time spent up to now is 100.8 secs Computing kpt #: 267 total cpu time spent up to now is 101.0 secs Computing kpt #: 268 total cpu time spent up to now is 101.2 secs Computing kpt #: 269 total cpu time spent up to now is 101.5 secs Computing kpt #: 270 total cpu time spent up to now is 101.9 secs Computing kpt #: 271 total cpu time spent up to now is 102.4 secs Computing kpt #: 272 total cpu time spent up to now is 102.8 secs Computing kpt #: 273 total cpu time spent up to now is 103.1 secs Computing kpt #: 274 total cpu time spent up to now is 103.4 secs Computing kpt #: 275 total cpu time spent up to now is 103.6 secs Computing kpt #: 276 total cpu time spent up to now is 103.9 secs Computing kpt #: 277 total cpu time spent up to now is 104.2 secs Computing kpt #: 278 total cpu time spent up to now is 104.6 secs Computing kpt #: 279 total cpu time spent up to now is 105.0 secs Computing kpt #: 280 total cpu time spent up to now is 105.4 secs Computing kpt #: 281 total cpu time spent up to now is 105.9 secs Computing kpt #: 282 total cpu time spent up to now is 106.2 secs Computing kpt #: 283 total cpu time spent up to now is 106.6 secs Computing kpt #: 284 total cpu time spent up to now is 107.0 secs Computing kpt #: 285 total cpu time spent up to now is 107.2 secs Computing kpt #: 286 total cpu time spent up to now is 107.5 secs Computing kpt #: 287 total cpu time spent up to now is 107.9 secs Computing kpt #: 288 total cpu time spent up to now is 108.1 secs Computing kpt #: 289 total cpu time spent up to now is 108.7 secs Computing kpt #: 290 total cpu time spent up to now is 109.1 secs Computing kpt #: 291 total cpu time spent up to now is 109.9 secs Computing kpt #: 292 total cpu time spent up to now is 110.3 secs Computing kpt #: 293 total cpu time spent up to now is 111.1 secs Computing kpt #: 294 total cpu time spent up to now is 111.4 secs Computing kpt #: 295 total cpu time spent up to now is 111.7 secs Computing kpt #: 296 total cpu time spent up to now is 112.0 secs Computing kpt #: 297 total cpu time spent up to now is 112.2 secs Computing kpt #: 298 total cpu time spent up to now is 112.5 secs Computing kpt #: 299 total cpu time spent up to now is 112.8 secs Computing kpt #: 300 total cpu time spent up to now is 113.1 secs Computing kpt #: 301 total cpu time spent up to now is 113.4 secs Computing kpt #: 302 total cpu time spent up to now is 113.7 secs Computing kpt #: 303 total cpu time spent up to now is 114.4 secs Computing kpt #: 304 total cpu time spent up to now is 115.1 secs Computing kpt #: 305 total cpu time spent up to now is 115.9 secs Computing kpt #: 306 total cpu time spent up to now is 116.1 secs Computing kpt #: 307 total cpu time spent up to now is 116.5 secs Computing kpt #: 308 total cpu time spent up to now is 116.8 secs Computing kpt #: 309 total cpu time spent up to now is 117.2 secs Computing kpt #: 310 total cpu time spent up to now is 117.4 secs Computing kpt #: 311 total cpu time spent up to now is 117.7 secs Computing kpt #: 312 total cpu time spent up to now is 117.9 secs Computing kpt #: 313 total cpu time spent up to now is 118.2 secs Computing kpt #: 314 total cpu time spent up to now is 118.5 secs Computing kpt #: 315 total cpu time spent up to now is 118.8 secs Computing kpt #: 316 total cpu time spent up to now is 119.3 secs Computing kpt #: 317 total cpu time spent up to now is 119.7 secs Computing kpt #: 318 total cpu time spent up to now is 119.9 secs Computing kpt #: 319 total cpu time spent up to now is 120.1 secs Computing kpt #: 320 total cpu time spent up to now is 120.2 secs Computing kpt #: 321 total cpu time spent up to now is 120.4 secs Computing kpt #: 322 total cpu time spent up to now is 120.6 secs Computing kpt #: 323 total cpu time spent up to now is 120.8 secs Computing kpt #: 324 total cpu time spent up to now is 121.0 secs Computing kpt #: 325 total cpu time spent up to now is 121.2 secs Computing kpt #: 326 total cpu time spent up to now is 121.4 secs Computing kpt #: 327 total cpu time spent up to now is 121.6 secs Computing kpt #: 328 total cpu time spent up to now is 122.6 secs Computing kpt #: 329 total cpu time spent up to now is 122.8 secs Computing kpt #: 330 total cpu time spent up to now is 122.9 secs Computing kpt #: 331 total cpu time spent up to now is 123.4 secs Computing kpt #: 332 total cpu time spent up to now is 123.7 secs Computing kpt #: 333 total cpu time spent up to now is 123.9 secs Computing kpt #: 334 total cpu time spent up to now is 124.2 secs Computing kpt #: 335 total cpu time spent up to now is 124.8 secs Computing kpt #: 336 total cpu time spent up to now is 125.2 secs Computing kpt #: 337 total cpu time spent up to now is 125.4 secs Computing kpt #: 338 total cpu time spent up to now is 125.6 secs Computing kpt #: 339 total cpu time spent up to now is 125.8 secs Computing kpt #: 340 total cpu time spent up to now is 126.1 secs Computing kpt #: 341 total cpu time spent up to now is 126.3 secs Computing kpt #: 342 total cpu time spent up to now is 126.9 secs Computing kpt #: 343 total cpu time spent up to now is 127.6 secs Computing kpt #: 344 total cpu time spent up to now is 128.1 secs Computing kpt #: 345 total cpu time spent up to now is 128.9 secs Computing kpt #: 346 total cpu time spent up to now is 129.5 secs ethr = 1.25E-10, avg # of iterations = 20.4 total cpu time spent up to now is 129.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 965 PWs) bands (ev): -6.1988 -6.1988 4.0626 4.0626 4.7348 4.7348 4.7349 4.7349 6.1571 6.1571 7.5955 7.5955 7.6532 7.6532 7.6532 7.6532 k = 0.0096-0.0056 0.0079 ( 981 PWs) bands (ev): -6.1977 -6.1977 4.0563 4.0563 4.7210 4.7210 4.7301 4.7301 6.1731 6.1731 7.5975 7.5975 7.6530 7.6530 7.6594 7.6594 k = 0.0192-0.0111 0.0157 ( 989 PWs) bands (ev): -6.1942 -6.1942 4.0373 4.0373 4.6817 4.6817 4.7163 4.7163 6.2190 6.2190 7.5986 7.5986 7.6572 7.6572 7.6780 7.6780 k = 0.0288-0.0167 0.0236 ( 997 PWs) bands (ev): -6.1885 -6.1885 4.0056 4.0056 4.6222 4.6222 4.6938 4.6938 6.2898 6.2898 7.5891 7.5891 7.6757 7.6757 7.7086 7.7086 k = 0.0385-0.0222 0.0314 ( 998 PWs) bands (ev): -6.1804 -6.1804 3.9608 3.9608 4.5490 4.5490 4.6631 4.6631 6.3793 6.3793 7.5681 7.5681 7.7098 7.7098 7.7507 7.7507 k = 0.0481-0.0278 0.0393 ( 1002 PWs) bands (ev): -6.1701 -6.1701 3.9027 3.9027 4.4679 4.4679 4.6250 4.6250 6.4818 6.4818 7.5392 7.5392 7.7561 7.7561 7.8035 7.8035 k = 0.0577-0.0333 0.0471 ( 1006 PWs) bands (ev): -6.1575 -6.1575 3.8314 3.8314 4.3835 4.3835 4.5803 4.5803 6.5921 6.5921 7.5052 7.5052 7.8127 7.8127 7.8664 7.8664 k = 0.0673-0.0389 0.0550 ( 1010 PWs) bands (ev): -6.1426 -6.1426 3.7473 3.7473 4.2990 4.2990 4.5298 4.5298 6.7056 6.7056 7.4687 7.4687 7.8783 7.8783 7.9383 7.9383 k = 0.0769-0.0444 0.0628 ( 1010 PWs) bands (ev): -6.1255 -6.1255 3.6514 3.6514 4.2162 4.2162 4.4744 4.4744 6.8169 6.8169 7.4333 7.4333 7.9522 7.9522 8.0185 8.0185 k = 0.0865-0.0500 0.0707 ( 1006 PWs) bands (ev): -6.1061 -6.1061 3.5454 3.5454 4.1357 4.1357 4.4149 4.4149 6.9180 6.9180 7.4057 7.4057 8.0335 8.0335 8.1061 8.1061 k = 0.0962-0.0555 0.0785 ( 1006 PWs) bands (ev): -6.0844 -6.0844 3.4310 3.4310 4.0574 4.0574 4.3521 4.3521 6.9951 6.9951 7.3982 7.3982 8.1214 8.1214 8.2003 8.2003 k = 0.1058-0.0611 0.0864 ( 1006 PWs) bands (ev): -6.0606 -6.0606 3.3101 3.3101 3.9809 3.9809 4.2867 4.2867 7.0310 7.0310 7.4270 7.4270 8.2154 8.2154 8.3004 8.3004 k = 0.1154-0.0666 0.0942 ( 1006 PWs) bands (ev): -6.0345 -6.0345 3.1841 3.1841 3.9059 3.9059 4.2192 4.2192 7.0240 7.0240 7.4924 7.4924 8.3147 8.3147 8.4057 8.4057 k = 0.1250-0.0722 0.1021 ( 1006 PWs) bands (ev): -6.0063 -6.0063 3.0544 3.0544 3.8319 3.8319 4.1502 4.1502 6.9896 6.9896 7.5773 7.5773 8.4188 8.4188 8.5158 8.5158 k = 0.1346-0.0777 0.1099 ( 1010 PWs) bands (ev): -5.9759 -5.9759 2.9219 2.9219 3.7589 3.7589 4.0801 4.0801 6.9414 6.9414 7.6661 7.6661 8.5270 8.5270 8.6300 8.6300 k = 0.1442-0.0833 0.1178 ( 1010 PWs) bands (ev): -5.9434 -5.9434 2.7875 2.7875 3.6867 3.6867 4.0095 4.0095 6.8861 6.8861 7.7500 7.7500 8.6388 8.6388 8.7479 8.7479 k = 0.1538-0.0888 0.1256 ( 1010 PWs) bands (ev): -5.9088 -5.9088 2.6518 2.6518 3.6152 3.6152 3.9387 3.9387 6.8272 6.8272 7.8229 7.8229 8.7537 8.7537 8.8691 8.8691 k = 0.1635-0.0944 0.1335 ( 1010 PWs) bands (ev): -5.8721 -5.8721 2.5152 2.5152 3.5446 3.5446 3.8679 3.8679 6.7665 6.7665 7.8808 7.8808 8.8712 8.8712 8.9933 8.9933 k = 0.1731-0.0999 0.1413 ( 1010 PWs) bands (ev): -5.8334 -5.8334 2.3781 2.3781 3.4749 3.4749 3.7975 3.7975 6.7050 6.7050 7.9204 7.9204 8.9911 8.9911 9.1202 9.1202 k = 0.1827-0.1055 0.1492 ( 1010 PWs) bands (ev): -5.7927 -5.7927 2.2409 2.2409 3.4062 3.4062 3.7278 3.7278 6.6435 6.6435 7.9398 7.9398 9.1132 9.1132 9.2494 9.2494 k = 0.1923-0.1110 0.1570 ( 1010 PWs) bands (ev): -5.7500 -5.7500 2.1038 2.1038 3.3385 3.3385 3.6588 3.6588 6.5824 6.5824 7.9384 7.9384 9.2372 9.2372 9.3808 9.3808 k = 0.2019-0.1166 0.1649 ( 1010 PWs) bands (ev): -5.7054 -5.7054 1.9669 1.9669 3.2720 3.2720 3.5909 3.5909 6.5221 6.5221 7.9173 7.9173 9.3632 9.3632 9.5140 9.5140 k = 0.2115-0.1221 0.1727 ( 1002 PWs) bands (ev): -5.6590 -5.6590 1.8305 1.8305 3.2069 3.2069 3.5242 3.5242 6.4629 6.4629 7.8784 7.8784 9.4911 9.4911 9.6491 9.6491 k = 0.2212-0.1277 0.1806 ( 1002 PWs) bands (ev): -5.6108 -5.6108 1.6948 1.6948 3.1431 3.1431 3.4587 3.4587 6.4051 6.4051 7.8245 7.8245 9.6208 9.6208 9.7856 9.7856 k = 0.2308-0.1332 0.1884 ( 1010 PWs) bands (ev): -5.5608 -5.5608 1.5598 1.5598 3.0807 3.0807 3.3948 3.3948 6.3488 6.3488 7.7585 7.7585 9.7522 9.7522 9.9235 9.9235 k = 0.2404-0.1388 0.1963 ( 1022 PWs) bands (ev): -5.5093 -5.5093 1.4258 1.4258 3.0200 3.0200 3.3323 3.3323 6.2942 6.2942 7.6831 7.6831 9.8853 9.8853 10.0626 10.0626 k = 0.2500-0.1443 0.2041 ( 1022 PWs) bands (ev): -5.4561 -5.4561 1.2928 1.2928 2.9609 2.9609 3.2716 3.2716 6.2416 6.2416 7.6011 7.6011 10.0199 10.0199 10.2029 10.2029 k = 0.2596-0.1499 0.2120 ( 1022 PWs) bands (ev): -5.4014 -5.4014 1.1610 1.1610 2.9035 2.9035 3.2127 3.2127 6.1909 6.1909 7.5143 7.5143 10.1559 10.1559 10.3442 10.3442 k = 0.2692-0.1554 0.2198 ( 1022 PWs) bands (ev): -5.3453 -5.3453 1.0306 1.0306 2.8480 2.8480 3.1556 3.1556 6.1424 6.1424 7.4245 7.4245 10.2930 10.2930 10.4863 10.4863 k = 0.2788-0.1610 0.2277 ( 1022 PWs) bands (ev): -5.2880 -5.2880 0.9016 0.9016 2.7943 2.7943 3.1004 3.1004 6.0962 6.0962 7.3331 7.3331 10.4313 10.4313 10.6293 10.6293 k = 0.2885-0.1665 0.2355 ( 1022 PWs) bands (ev): -5.2294 -5.2294 0.7743 0.7743 2.7425 2.7425 3.0472 3.0472 6.0522 6.0522 7.2411 7.2411 10.5704 10.5704 10.7730 10.7730 k = 0.2981-0.1721 0.2434 ( 1022 PWs) bands (ev): -5.1699 -5.1699 0.6488 0.6488 2.6927 2.6927 2.9960 2.9960 6.0107 6.0107 7.1495 7.1495 10.7103 10.7103 10.9173 10.9173 k = 0.3077-0.1776 0.2512 ( 1030 PWs) bands (ev): -5.1095 -5.1095 0.5253 0.5253 2.6449 2.6449 2.9469 2.9469 5.9716 5.9716 7.0589 7.0589 10.8509 10.8509 11.0620 11.0620 k = 0.3173-0.1832 0.2591 ( 1030 PWs) bands (ev): -5.0483 -5.0483 0.4039 0.4039 2.5993 2.5993 2.9000 2.9000 5.9352 5.9352 6.9699 6.9699 10.9919 10.9919 11.2072 11.2072 k = 0.3269-0.1887 0.2669 ( 1030 PWs) bands (ev): -4.9867 -4.9867 0.2850 0.2850 2.5557 2.5557 2.8553 2.8553 5.9013 5.9013 6.8830 6.8830 11.1334 11.1334 11.3528 11.3528 k = 0.3365-0.1943 0.2748 ( 1030 PWs) bands (ev): -4.9247 -4.9247 0.1687 0.1687 2.5143 2.5143 2.8128 2.8128 5.8701 5.8701 6.7985 6.7985 11.2750 11.2750 11.4985 11.4985 k = 0.3462-0.1999 0.2826 ( 1030 PWs) bands (ev): -4.8627 -4.8627 0.0553 0.0553 2.4751 2.4751 2.7725 2.7725 5.8416 5.8416 6.7167 6.7167 11.4166 11.4166 11.6444 11.6444 k = 0.3558-0.2054 0.2905 ( 1030 PWs) bands (ev): -4.8009 -4.8009 -0.0549 -0.0549 2.4382 2.4382 2.7346 2.7346 5.8158 5.8158 6.6379 6.6379 11.5580 11.5580 11.7901 11.7901 k = 0.3654-0.2110 0.2983 ( 1030 PWs) bands (ev): -4.7396 -4.7396 -0.1615 -0.1615 2.4035 2.4035 2.6990 2.6990 5.7929 5.7929 6.5623 6.5623 11.6990 11.6990 11.9356 11.9356 k = 0.3750-0.2165 0.3062 ( 1030 PWs) bands (ev): -4.6792 -4.6792 -0.2643 -0.2643 2.3711 2.3711 2.6657 2.6657 5.7728 5.7728 6.4900 6.4900 11.8393 11.8393 12.0806 12.0806 k = 0.3846-0.2221 0.3140 ( 1030 PWs) bands (ev): -4.6200 -4.6200 -0.3628 -0.3628 2.3409 2.3409 2.6348 2.6348 5.7555 5.7555 6.4213 6.4213 11.9784 11.9784 12.2248 12.2248 k = 0.3942-0.2276 0.3219 ( 1030 PWs) bands (ev): -4.5625 -4.5625 -0.4566 -0.4566 2.3132 2.3132 2.6063 2.6063 5.7411 5.7411 6.3561 6.3561 12.1160 12.1160 12.3679 12.3679 k = 0.4038-0.2332 0.3297 ( 1030 PWs) bands (ev): -4.5071 -4.5071 -0.5451 -0.5451 2.2877 2.2877 2.5803 2.5803 5.7295 5.7295 6.2948 6.2948 12.2514 12.2514 12.5092 12.5092 k = 0.4135-0.2387 0.3376 ( 1034 PWs) bands (ev): -4.4543 -4.4543 -0.6279 -0.6279 2.2647 2.2647 2.5566 2.5566 5.7207 5.7207 6.2373 6.2373 12.3837 12.3837 12.6481 12.6481 k = 0.4231-0.2443 0.3454 ( 1022 PWs) bands (ev): -4.4047 -4.4047 -0.7044 -0.7044 2.2440 2.2440 2.5355 2.5355 5.7147 5.7147 6.1840 6.1840 12.5123 12.5123 12.7840 12.7840 k = 0.4327-0.2498 0.3533 ( 1022 PWs) bands (ev): -4.3589 -4.3589 -0.7740 -0.7740 2.2258 2.2258 2.5167 2.5167 5.7113 5.7113 6.1348 6.1348 12.6355 12.6355 12.9152 12.9152 k = 0.4423-0.2554 0.3611 ( 1014 PWs) bands (ev): -4.3175 -4.3175 -0.8360 -0.8360 2.2099 2.2099 2.5005 2.5005 5.7103 5.7103 6.0902 6.0902 12.7517 12.7517 13.0403 13.0403 k = 0.4519-0.2609 0.3690 ( 1018 PWs) bands (ev): -4.2811 -4.2811 -0.8899 -0.8899 2.1965 2.1965 2.4867 2.4867 5.7114 5.7114 6.0503 6.0503 12.8586 12.8586 13.1568 13.1568 k = 0.4615-0.2665 0.3768 ( 1026 PWs) bands (ev): -4.2504 -4.2504 -0.9350 -0.9350 2.1855 2.1855 2.4754 2.4754 5.7143 5.7143 6.0157 6.0157 12.9536 12.9536 13.2617 13.2617 k = 0.4712-0.2720 0.3847 ( 1026 PWs) bands (ev): -4.2258 -4.2258 -0.9707 -0.9707 2.1769 2.1769 2.4667 2.4667 5.7182 5.7182 5.9870 5.9870 13.0333 13.0333 13.3512 13.3512 k = 0.4808-0.2776 0.3925 ( 1034 PWs) bands (ev): -4.2079 -4.2079 -0.9966 -0.9966 2.1708 2.1708 2.4604 2.4604 5.7222 5.7222 5.9653 5.9653 13.0939 13.0939 13.4205 13.4205 k = 0.4904-0.2831 0.4004 ( 1034 PWs) bands (ev): -4.1970 -4.1970 -1.0123 -1.0123 2.1671 2.1671 2.4566 2.4566 5.7253 5.7253 5.9516 5.9516 13.1322 13.1322 13.4647 13.4647 k = 0.5000-0.2887 0.4082 ( 1034 PWs) bands (ev): -4.1933 -4.1933 -1.0176 -1.0176 2.1659 2.1659 2.4554 2.4554 5.7265 5.7265 5.9469 5.9469 13.1452 13.1452 13.4800 13.4800 k = 0.5000-0.2887 0.4082 ( 1034 PWs) bands (ev): -4.1933 -4.1933 -1.0176 -1.0176 2.1659 2.1659 2.4554 2.4554 5.7265 5.7265 5.9469 5.9469 13.1452 13.1452 13.4800 13.4800 k = 0.5000-0.2776 0.4161 ( 1034 PWs) bands (ev): -4.1932 -4.1931 -1.0201 -1.0136 2.1538 2.1719 2.4519 2.4521 5.7327 5.7328 5.9477 5.9601 13.1258 13.1440 13.4666 13.4693 k = 0.5000-0.2665 0.4240 ( 1034 PWs) bands (ev): -4.1929 -4.1927 -1.0212 -1.0083 2.1358 2.1719 2.4418 2.4422 5.7513 5.7517 5.9626 5.9871 13.0851 13.1203 13.4295 13.4370 k = 0.5000-0.2554 0.4318 ( 1028 PWs) bands (ev): -4.1924 -4.1921 -1.0210 -1.0015 2.1121 2.1662 2.4257 2.4258 5.7821 5.7829 5.9915 6.0274 13.0213 13.0707 13.3702 13.3875 k = 0.5000-0.2443 0.4397 ( 1024 PWs) bands (ev): -4.1917 -4.1913 -1.0193 -0.9933 2.0829 2.1552 2.4032 2.4041 5.8246 5.8260 6.0339 6.0805 12.9330 12.9915 13.2903 13.3251 k = 0.5000-0.2332 0.4475 ( 1024 PWs) bands (ev): -4.1908 -4.1903 -1.0164 -0.9837 2.0487 2.1391 2.3752 2.3777 5.8783 5.8807 6.0893 6.1457 12.8202 12.8824 13.1899 13.2492 k = 0.5000-0.2221 0.4554 ( 1026 PWs) bands (ev): -4.1897 -4.1891 -1.0122 -0.9729 2.0101 2.1187 2.3425 2.3473 5.9428 5.9463 6.1572 6.2223 12.6856 12.7474 13.0682 13.1548 k = 0.5000-0.2110 0.4632 ( 1022 PWs) bands (ev): -4.1884 -4.1877 -1.0069 -0.9608 1.9677 2.0943 2.3058 2.3138 6.0175 6.0223 6.2366 6.3094 12.5326 12.5920 12.9257 13.0359 k = 0.5000-0.1999 0.4711 ( 1022 PWs) bands (ev): -4.1870 -4.1862 -1.0004 -0.9476 1.9221 2.0667 2.2660 2.2778 6.1017 6.1080 6.3268 6.4064 12.3652 12.4214 12.7642 12.8908 k = 0.5000-0.1887 0.4789 ( 1022 PWs) bands (ev): -4.1854 -4.1846 -0.9930 -0.9332 1.8739 2.0363 2.2241 2.2402 6.1950 6.2029 6.4270 6.5125 12.1866 12.2394 12.5873 12.7227 k = 0.5000-0.1776 0.4868 ( 1030 PWs) bands (ev): -4.1838 -4.1829 -0.9846 -0.9180 1.8238 2.0037 2.1809 2.2018 6.2965 6.3061 6.5363 6.6269 11.9998 12.0492 12.3987 12.5374 k = 0.5000-0.1665 0.4946 ( 1030 PWs) bands (ev): -4.1821 -4.1810 -0.9755 -0.9019 1.7725 1.9694 2.1373 2.1630 6.4060 6.4173 6.6540 6.7492 11.8070 11.8532 12.2020 12.3405 k = 0.5000-0.1554 0.5025 ( 1028 PWs) bands (ev): -4.1802 -4.1791 -0.9658 -0.8851 1.7206 1.9338 2.0940 2.1247 6.5228 6.5358 6.7795 6.8786 11.6100 11.6533 11.9995 12.1362 k = 0.5000-0.1443 0.5103 ( 1032 PWs) bands (ev): -4.1784 -4.1773 -0.9556 -0.8678 1.6688 1.8975 2.0519 2.0871 6.6463 6.6611 6.9120 7.0146 11.4101 11.4506 11.7934 11.9273 k = 0.5000-0.1332 0.5182 ( 1028 PWs) bands (ev): -4.1766 -4.1753 -0.9451 -0.8503 1.6177 1.8609 2.0116 2.0509 6.7761 6.7926 7.0511 7.1568 11.2085 11.2464 11.5851 11.7159 k = 0.5000-0.1221 0.5260 ( 1028 PWs) bands (ev): -4.1748 -4.1735 -0.9344 -0.8326 1.5679 1.8244 1.9735 2.0163 6.9117 6.9299 7.1961 7.3048 11.0061 11.0416 11.3756 11.5033 k = 0.5000-0.1110 0.5339 ( 1036 PWs) bands (ev): -4.1730 -4.1716 -0.9237 -0.8150 1.5199 1.7886 1.9382 1.9838 7.0525 7.0726 7.3466 7.4579 10.8036 10.8367 11.1659 11.2904 k = 0.5000-0.0999 0.5417 ( 1040 PWs) bands (ev): -4.1713 -4.1699 -0.9133 -0.7979 1.4744 1.7541 1.9058 1.9535 7.1981 7.2200 7.5021 7.6161 10.6020 10.6327 10.9566 11.0778 k = 0.5000-0.0888 0.5496 ( 1032 PWs) bands (ev): -4.1697 -4.1682 -0.9032 -0.7815 1.4320 1.7214 1.8765 1.9259 7.3480 7.3718 7.6623 7.7789 10.4018 10.4302 10.7483 10.8663 k = 0.5000-0.0777 0.5574 ( 1028 PWs) bands (ev): -4.1682 -4.1667 -0.8938 -0.7660 1.3930 1.6911 1.8505 1.9010 7.5014 7.5273 7.8266 7.9459 10.2038 10.2298 10.5415 10.6561 k = 0.5000-0.0666 0.5653 ( 1028 PWs) bands (ev): -4.1669 -4.1653 -0.8851 -0.7518 1.3580 1.6637 1.8278 1.8791 7.6575 7.6857 7.9946 8.1170 10.0089 10.0324 10.3368 10.4477 k = 0.5000-0.0555 0.5731 ( 1032 PWs) bands (ev): -4.1657 -4.1641 -0.8775 -0.7391 1.3276 1.6396 1.8086 1.8604 7.8149 7.8460 8.1656 8.2916 9.8183 9.8390 10.1348 10.2413 k = 0.5000-0.0444 0.5810 ( 1038 PWs) bands (ev): -4.1647 -4.1631 -0.8709 -0.7283 1.3020 1.6194 1.7928 1.8448 7.9717 8.0062 8.3386 8.4694 9.6341 9.6516 9.9366 10.0376 k = 0.5000-0.0333 0.5888 ( 1038 PWs) bands (ev): -4.1640 -4.1623 -0.8657 -0.7196 1.2817 1.6033 1.7804 1.8327 8.1240 8.1630 8.5121 8.6496 9.4600 9.4737 9.7441 9.8373 k = 0.5000-0.0222 0.5967 ( 1038 PWs) bands (ev): -4.1634 -4.1618 -0.8618 -0.7132 1.2669 1.5916 1.7716 1.8239 8.2637 8.3088 8.6819 8.8303 9.3033 9.3129 9.5623 9.6421 k = 0.5000-0.0111 0.6045 ( 1036 PWs) bands (ev): -4.1631 -4.1614 -0.8595 -0.7093 1.2580 1.5845 1.7663 1.8186 8.3724 8.4252 8.8346 9.0041 9.1797 9.1877 9.4069 9.4594 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -4.1629 -4.1613 -0.8587 -0.7080 1.2550 1.5822 1.7645 1.8169 8.4165 8.4738 8.9137 9.1084 9.1238 9.1396 9.3339 9.3488 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -4.1629 -4.1613 -0.8587 -0.7080 1.2550 1.5822 1.7645 1.8169 8.4165 8.4738 8.9137 9.1084 9.1238 9.1396 9.3339 9.3488 k = 0.4934 0.0114 0.6124 ( 1036 PWs) bands (ev): -4.1637 -4.1620 -0.8586 -0.7081 1.2545 1.5793 1.7678 1.8251 8.3798 8.4486 8.8719 9.0471 9.1570 9.1756 9.3768 9.4124 k = 0.4868 0.0228 0.6124 ( 1039 PWs) bands (ev): -4.1658 -4.1641 -0.8583 -0.7085 1.2522 1.5701 1.7802 1.8484 8.2736 8.3662 8.8055 8.9822 9.2223 9.2514 9.4704 9.5299 k = 0.4803 0.0342 0.6124 ( 1040 PWs) bands (ev): -4.1690 -4.1674 -0.8581 -0.7094 1.2475 1.5552 1.8039 1.8837 8.1244 8.2303 8.7592 8.9347 9.3118 9.3476 9.5865 9.6615 k = 0.4737 0.0456 0.6124 ( 1040 PWs) bands (ev): -4.1731 -4.1715 -0.8581 -0.7108 1.2405 1.5367 1.8388 1.9284 7.9553 8.0644 8.7284 8.8970 9.4168 9.4575 9.7142 9.7995 k = 0.4671 0.0570 0.6124 ( 1035 PWs) bands (ev): -4.1779 -4.1763 -0.8584 -0.7128 1.2314 1.5163 1.8838 1.9805 7.7786 7.8867 8.7040 8.8647 9.5320 9.5772 9.8487 9.9415 k = 0.4605 0.0684 0.6124 ( 1035 PWs) bands (ev): -4.1832 -4.1817 -0.8590 -0.7153 1.2206 1.4954 1.9373 2.0385 7.6007 7.7062 8.6823 8.8358 9.6541 9.7037 9.9878 10.0864 k = 0.4539 0.0798 0.6124 ( 1031 PWs) bands (ev): -4.1888 -4.1874 -0.8600 -0.7182 1.2089 1.4748 1.9978 2.1011 7.4255 7.5273 8.6621 8.8096 9.7812 9.8353 10.1300 10.2338 k = 0.4474 0.0912 0.6124 ( 1033 PWs) bands (ev): -4.1946 -4.1932 -0.8612 -0.7214 1.1966 1.4550 2.0636 2.1670 7.2552 7.3530 8.6431 8.7856 9.9121 9.9706 10.2747 10.3831 k = 0.4408 0.1026 0.6124 ( 1033 PWs) bands (ev): -4.2003 -4.1991 -0.8627 -0.7249 1.1844 1.4363 2.1332 2.2348 7.0917 7.1849 8.6253 8.7637 10.0458 10.1088 10.4209 10.5337 k = 0.4342 0.1140 0.6124 ( 1035 PWs) bands (ev): -4.2060 -4.2048 -0.8644 -0.7285 1.1725 1.4190 2.2051 2.3031 6.9368 7.0248 8.6090 8.7440 10.1817 10.2490 10.5681 10.6852 k = 0.4276 0.1253 0.6124 ( 1029 PWs) bands (ev): -4.2114 -4.2102 -0.8662 -0.7321 1.1613 1.4033 2.2776 2.3706 6.7919 6.8741 8.5941 8.7263 10.3193 10.3906 10.7154 10.8368 k = 0.4211 0.1367 0.6124 ( 1029 PWs) bands (ev): -4.2164 -4.2152 -0.8680 -0.7355 1.1509 1.3892 2.3491 2.4355 6.6588 6.7342 8.5807 8.7107 10.4579 10.5328 10.8616 10.9872 k = 0.4145 0.1481 0.6124 ( 1029 PWs) bands (ev): -4.2209 -4.2198 -0.8698 -0.7388 1.1416 1.3769 2.4177 2.4962 6.5390 6.6068 8.5690 8.6971 10.5970 10.6748 11.0051 11.1346 k = 0.4079 0.1595 0.6124 ( 1031 PWs) bands (ev): -4.2248 -4.2238 -0.8714 -0.7417 1.1336 1.3664 2.4817 2.5508 6.4344 6.4936 8.5590 8.6856 10.7359 10.8155 11.1433 11.2757 k = 0.4013 0.1709 0.6124 ( 1033 PWs) bands (ev): -4.2282 -4.2272 -0.8728 -0.7442 1.1269 1.3578 2.5390 2.5975 6.3468 6.3963 8.5508 8.6762 10.8734 10.9531 11.2720 11.4042 k = 0.3947 0.1823 0.6124 ( 1024 PWs) bands (ev): -4.2308 -4.2298 -0.8740 -0.7462 1.1216 1.3510 2.5876 2.6346 6.2779 6.3168 8.5444 8.6689 11.0075 11.0846 11.3842 11.5072 k = 0.3882 0.1937 0.6124 ( 1024 PWs) bands (ev): -4.2328 -4.2318 -0.8749 -0.7477 1.1178 1.3461 2.6255 2.6607 6.2293 6.2568 8.5397 8.6637 11.1342 11.2040 11.4684 11.5616 k = 0.3816 0.2051 0.6124 ( 1021 PWs) bands (ev): -4.2339 -4.2329 -0.8754 -0.7486 1.1155 1.3432 2.6506 2.6753 6.2017 6.2180 8.5370 8.6605 11.2418 11.2979 11.5127 11.5544 k = 0.3750 0.2165 0.6124 ( 1021 PWs) bands (ev): -4.2343 -4.2333 -0.8756 -0.7489 1.1147 1.3423 2.6598 2.6795 6.1937 6.2036 8.5360 8.6595 11.2925 11.3372 11.5244 11.5307 k = 0.3750 0.2165 0.6124 ( 1021 PWs) bands (ev): -4.2343 -4.2333 -0.8756 -0.7489 1.1147 1.3423 2.6598 2.6795 6.1937 6.2036 8.5360 8.6595 11.2925 11.3372 11.5244 11.5307 k = 0.3682 0.2126 0.6012 ( 1023 PWs) bands (ev): -4.2479 -4.2470 -0.8578 -0.7255 1.0766 1.3096 2.6969 2.7161 6.2345 6.2439 8.7646 8.8926 11.1687 11.2071 11.3968 11.4044 k = 0.3614 0.2086 0.5901 ( 1031 PWs) bands (ev): -4.2639 -4.2631 -0.8386 -0.7012 1.0463 1.2840 2.7357 2.7545 6.2769 6.2859 8.9956 9.1293 11.0465 11.0781 11.2709 11.2809 k = 0.3545 0.2047 0.5790 ( 1027 PWs) bands (ev): -4.2824 -4.2818 -0.8177 -0.6759 1.0239 1.2657 2.7760 2.7945 6.3209 6.3295 9.2278 9.3690 10.9265 10.9507 11.1473 11.1607 k = 0.3477 0.2008 0.5678 ( 1027 PWs) bands (ev): -4.3037 -4.3032 -0.7947 -0.6494 1.0096 1.2548 2.8179 2.8361 6.3663 6.3744 9.4588 9.6105 10.8096 10.8251 11.0263 11.0447 k = 0.3409 0.1968 0.5567 ( 1031 PWs) bands (ev): -4.3278 -4.3274 -0.7695 -0.6214 1.0032 1.2511 2.8613 2.8793 6.4132 6.4206 9.6846 9.8522 10.6976 10.7020 10.9087 10.9343 k = 0.3341 0.1929 0.5456 ( 1031 PWs) bands (ev): -4.3547 -4.3545 -0.7417 -0.5915 1.0048 1.2546 2.9060 2.9238 6.4612 6.4680 9.8953 10.0888 10.5836 10.5946 10.7971 10.8330 k = 0.3273 0.1890 0.5344 ( 1031 PWs) bands (ev): -4.3844 -4.3844 -0.7110 -0.5595 1.0140 1.2650 2.9519 2.9697 6.5104 6.5164 10.0645 10.2927 10.4842 10.5106 10.7029 10.7498 k = 0.3205 0.1850 0.5233 ( 1025 PWs) bands (ev): -4.4172 -4.4170 -0.6772 -0.5250 1.0307 1.2822 2.9991 3.0167 6.5605 6.5656 10.1374 10.3048 10.4543 10.4731 10.6960 10.7074 k = 0.3136 0.1811 0.5122 ( 1025 PWs) bands (ev): -4.4528 -4.4524 -0.6398 -0.4876 1.0544 1.3060 3.0473 3.0649 6.6114 6.6155 10.1034 10.2020 10.3947 10.4038 10.6268 10.7851 k = 0.3068 0.1771 0.5010 ( 1025 PWs) bands (ev): -4.4911 -4.4906 -0.5988 -0.4470 1.0848 1.3359 3.0965 3.1142 6.6629 6.6657 10.0221 10.0908 10.3040 10.3152 10.5205 10.7020 k = 0.3000 0.1732 0.4899 ( 1021 PWs) bands (ev): -4.5320 -4.5313 -0.5538 -0.4029 1.1215 1.3717 3.1466 3.1643 6.7148 6.7160 9.9264 9.9797 10.1998 10.2269 10.4040 10.5927 k = 0.2932 0.1693 0.4788 ( 1029 PWs) bands (ev): -4.5753 -4.5744 -0.5047 -0.3551 1.1641 1.4131 3.1974 3.2152 6.7662 6.7666 9.8262 9.8702 10.0952 10.1357 10.2878 10.4837 k = 0.2864 0.1653 0.4676 ( 1029 PWs) bands (ev): -4.6208 -4.6198 -0.4513 -0.3032 1.2123 1.4598 3.2489 3.2668 6.8159 6.8183 9.7251 9.7628 9.9914 10.0427 10.1764 10.3785 k = 0.2795 0.1614 0.4565 ( 1029 PWs) bands (ev): -4.6683 -4.6672 -0.3936 -0.2472 1.2656 1.5115 3.3009 3.3190 6.8648 6.8695 9.6248 9.6577 9.8887 9.9470 10.0730 10.2783 k = 0.2727 0.1575 0.4454 ( 1025 PWs) bands (ev): -4.7176 -4.7164 -0.3314 -0.1869 1.3237 1.5679 3.3533 3.3716 6.9125 6.9199 9.5258 9.5551 9.7873 9.8474 9.9803 10.1839 k = 0.2659 0.1535 0.4342 ( 1025 PWs) bands (ev): -4.7685 -4.7672 -0.2648 -0.1222 1.3863 1.6287 3.4059 3.4245 6.9586 6.9689 9.4286 9.4551 9.6872 9.7444 9.8986 10.0956 k = 0.2591 0.1496 0.4231 ( 1025 PWs) bands (ev): -4.8207 -4.8194 -0.1937 -0.0531 1.4530 1.6936 3.4587 3.4776 7.0025 7.0163 9.3335 9.3576 9.5885 9.6396 9.8269 10.0139 k = 0.2523 0.1456 0.4120 ( 1029 PWs) bands (ev): -4.8740 -4.8726 -0.1181 0.0205 1.5235 1.7624 3.5114 3.5306 7.0438 7.0616 9.2406 9.2628 9.4912 9.5347 9.7639 9.9390 k = 0.2455 0.1417 0.4008 ( 1029 PWs) bands (ev): -4.9282 -4.9268 -0.0381 0.0985 1.5977 1.8349 3.5639 3.5835 7.0821 7.1043 9.1501 9.1707 9.3955 9.4311 9.7088 9.8714 k = 0.2386 0.1378 0.3897 ( 1029 PWs) bands (ev): -4.9830 -4.9816 0.0463 0.1810 1.6751 1.9107 3.6161 3.6362 7.1169 7.1440 9.0621 9.0814 9.3014 9.3294 9.6614 9.8110 k = 0.2318 0.1338 0.3786 ( 1025 PWs) bands (ev): -5.0382 -5.0368 0.1350 0.2678 1.7556 1.9897 3.6679 3.6884 7.1476 7.1801 8.9767 8.9949 9.2092 9.2301 9.6215 9.7580 k = 0.2250 0.1299 0.3674 ( 1029 PWs) bands (ev): -5.0936 -5.0923 0.2279 0.3590 1.8390 2.0717 3.7191 3.7401 7.1738 7.2122 8.8937 8.9112 9.1189 9.1332 9.5889 9.7124 k = 0.2182 0.1260 0.3563 ( 1029 PWs) bands (ev): -5.1490 -5.1477 0.3250 0.4544 1.9249 2.1563 3.7694 3.7910 7.1954 7.2400 8.8134 8.8303 9.0307 9.0392 9.5636 9.6741 k = 0.2114 0.1220 0.3452 ( 1023 PWs) bands (ev): -5.2042 -5.2030 0.4262 0.5539 2.0133 2.2435 3.8189 3.8411 7.2119 7.2631 8.7358 8.7522 8.9448 8.9480 9.5453 9.6428 k = 0.2045 0.1181 0.3340 ( 1023 PWs) bands (ev): -5.2590 -5.2578 0.5313 0.6575 2.1038 2.3329 3.8673 3.8902 7.2232 7.2812 8.6608 8.6770 8.8598 8.8612 9.5333 9.6179 k = 0.1977 0.1142 0.3229 ( 1017 PWs) bands (ev): -5.3132 -5.3122 0.6403 0.7650 2.1962 2.4245 3.9145 3.9381 7.2295 7.2942 8.5884 8.6046 8.7746 8.7801 9.5271 9.5989 k = 0.1909 0.1102 0.3118 ( 1017 PWs) bands (ev): -5.3668 -5.3658 0.7531 0.8764 2.2904 2.5178 3.9604 3.9848 7.2307 7.3022 8.5187 8.5350 8.6924 8.7015 9.5256 9.5847 k = 0.1841 0.1063 0.3006 ( 1019 PWs) bands (ev): -5.4195 -5.4186 0.8696 0.9915 2.3861 2.6128 4.0049 4.0301 7.2272 7.3053 8.4516 8.4682 8.6134 8.6256 9.5275 9.5739 k = 0.1773 0.1023 0.2895 ( 1019 PWs) bands (ev): -5.4712 -5.4703 0.9896 1.1103 2.4831 2.7091 4.0479 4.0740 7.2193 7.3036 8.3871 8.4042 8.5375 8.5524 9.5312 9.5651 k = 0.1705 0.0984 0.2784 ( 1013 PWs) bands (ev): -5.5218 -5.5210 1.1131 1.2325 2.5812 2.8066 4.0893 4.1163 7.2074 7.2976 8.3252 8.3431 8.4649 8.4820 9.5348 9.5561 k = 0.1636 0.0945 0.2672 ( 1013 PWs) bands (ev): -5.5711 -5.5704 1.2398 1.3581 2.6801 2.9048 4.1290 4.1570 7.1920 7.2875 8.2658 8.2846 8.3955 8.4144 9.5360 9.5446 k = 0.1568 0.0905 0.2561 ( 1021 PWs) bands (ev): -5.6191 -5.6185 1.3698 1.4869 2.7796 3.0037 4.1669 4.1960 7.1734 7.2737 8.2088 8.2289 8.3294 8.3496 9.5280 9.5321 k = 0.1500 0.0866 0.2449 ( 1015 PWs) bands (ev): -5.6656 -5.6651 1.5029 1.6188 2.8794 3.1028 4.2032 4.2334 7.1522 7.2568 8.1544 8.1760 8.2666 8.2878 9.5035 9.5205 k = 0.1432 0.0827 0.2338 ( 1015 PWs) bands (ev): -5.7106 -5.7101 1.6389 1.7536 2.9792 3.2018 4.2378 4.2690 7.1288 7.2370 8.1024 8.1257 8.2072 8.2290 9.4681 9.4981 k = 0.1364 0.0787 0.2227 ( 1015 PWs) bands (ev): -5.7540 -5.7536 1.7776 1.8912 3.0787 3.3003 4.2707 4.3031 7.1035 7.2146 8.0528 8.0781 8.1511 8.1730 9.4194 9.4621 k = 0.1295 0.0748 0.2115 ( 1007 PWs) bands (ev): -5.7957 -5.7953 1.9189 2.0313 3.1777 3.3981 4.3020 4.3355 7.0766 7.1900 8.0055 8.0331 8.0984 8.1200 9.3554 9.4105 k = 0.1227 0.0709 0.2004 ( 1007 PWs) bands (ev): -5.8356 -5.8352 2.0626 2.1737 3.2757 3.4945 4.3318 4.3664 7.0484 7.1633 7.9606 7.9907 8.0490 8.0700 9.2751 9.3417 k = 0.1159 0.0669 0.1893 ( 1007 PWs) bands (ev): -5.8736 -5.8733 2.2083 2.3181 3.3725 3.5893 4.3603 4.3958 7.0188 7.1346 7.9182 7.9509 8.0030 8.0229 9.1790 9.2557 k = 0.1091 0.0630 0.1781 ( 1005 PWs) bands (ev): -5.9098 -5.9095 2.3560 2.4641 3.4678 3.6818 4.3876 4.4239 6.9881 7.1038 7.8781 7.9137 7.9602 7.9787 9.0684 9.1537 k = 0.1023 0.0590 0.1670 ( 1005 PWs) bands (ev): -5.9440 -5.9438 2.5051 2.6115 3.5612 3.7716 4.4141 4.4509 6.9560 7.0706 7.8406 7.8790 7.9206 7.9374 8.9458 9.0377 k = 0.0955 0.0551 0.1559 ( 1005 PWs) bands (ev): -5.9762 -5.9760 2.6552 2.7595 3.6524 3.8581 4.4398 4.4768 6.9223 7.0348 7.8056 7.8468 7.8841 7.8991 8.8142 8.9106 k = 0.0886 0.0512 0.1447 ( 1001 PWs) bands (ev): -6.0064 -6.0062 2.8058 2.9076 3.7413 3.9408 4.4653 4.5019 6.8865 6.9958 7.7733 7.8170 7.8506 7.8636 8.6769 8.7759 k = 0.0818 0.0472 0.1336 ( 1003 PWs) bands (ev): -6.0344 -6.0343 2.9562 3.0549 3.8278 4.0191 4.4907 4.5264 6.8481 6.9526 7.7438 7.7895 7.8200 7.8310 8.5375 8.6368 k = 0.0750 0.0433 0.1225 ( 1003 PWs) bands (ev): -6.0604 -6.0603 3.1055 3.2001 3.9120 4.0929 4.5165 4.5503 6.8062 6.9044 7.7172 7.7643 7.7922 7.8012 8.3996 8.4970 k = 0.0682 0.0394 0.1113 ( 1003 PWs) bands (ev): -6.0842 -6.0841 3.2524 3.3415 3.9944 4.1621 4.5429 4.5738 6.7599 6.8498 7.6935 7.7413 7.7671 7.7742 8.2666 8.3598 k = 0.0614 0.0354 0.1002 ( 1003 PWs) bands (ev): -6.1058 -6.1058 3.3951 3.4770 4.0761 4.2271 4.5698 4.5969 6.7080 6.7878 7.6728 7.7201 7.7447 7.7501 8.1420 8.2286 k = 0.0545 0.0315 0.0891 ( 1007 PWs) bands (ev): -6.1252 -6.1252 3.5313 3.6035 4.1586 4.2891 4.5971 4.6196 6.6496 6.7175 7.6550 7.7007 7.7249 7.7288 8.0289 8.1066 k = 0.0477 0.0276 0.0779 ( 1003 PWs) bands (ev): -6.1424 -6.1424 3.6579 3.7177 4.2435 4.3500 4.6242 4.6417 6.5841 6.6389 7.6402 7.6826 7.7075 7.7104 7.9298 7.9965 k = 0.0409 0.0236 0.0668 ( 1003 PWs) bands (ev): -6.1573 -6.1573 3.7712 3.8161 4.3324 4.4122 4.6502 4.6627 6.5119 6.5530 7.6282 7.6656 7.6927 7.6948 7.8463 7.9005 k = 0.0341 0.0197 0.0557 ( 999 PWs) bands (ev): -6.1700 -6.1700 3.8671 3.8968 4.4244 4.4779 4.6742 4.6823 6.4346 6.4626 7.6189 7.6494 7.6803 7.6820 7.7794 7.8200 k = 0.0273 0.0157 0.0445 ( 993 PWs) bands (ev): -6.1803 -6.1803 3.9432 3.9596 4.5163 4.5470 4.6951 4.6997 6.3556 6.3723 7.6117 7.6337 7.6702 7.6717 7.7287 7.7557 k = 0.0205 0.0118 0.0334 ( 991 PWs) bands (ev): -6.1884 -6.1884 3.9987 4.0059 4.6015 4.6156 4.7122 4.7143 6.2805 6.2886 7.6062 7.6188 7.6626 7.6637 7.6933 7.7076 k = 0.0136 0.0079 0.0223 ( 991 PWs) bands (ev): -6.1942 -6.1942 4.0355 4.0376 4.6718 4.6763 4.7247 4.7254 6.2167 6.2194 7.6015 7.6063 7.6572 7.6580 7.6706 7.6753 k = 0.0068 0.0039 0.0111 ( 977 PWs) bands (ev): -6.1976 -6.1976 4.0561 4.0563 4.7185 4.7191 4.7323 4.7324 6.1729 6.1733 7.5974 7.5981 7.6541 7.6545 7.6577 7.6581 k = 0.0000 0.0000 0.0000 ( 965 PWs) bands (ev): -6.1988 -6.1988 4.0626 4.0626 4.7348 4.7348 4.7349 4.7349 6.1571 6.1571 7.5955 7.5955 7.6532 7.6532 7.6532 7.6532 k = 0.0000 0.0000 0.0000 ( 965 PWs) bands (ev): -6.1988 -6.1988 4.0626 4.0626 4.7348 4.7348 4.7349 4.7349 6.1571 6.1571 7.5955 7.5955 7.6532 7.6532 7.6532 7.6532 k = 0.0111 0.0064 0.0045 ( 977 PWs) bands (ev): -6.1976 -6.1976 4.0562 4.0562 4.7183 4.7183 4.7329 4.7330 6.1730 6.1730 7.5979 7.5979 7.6557 7.6560 7.6560 7.6564 k = 0.0222 0.0128 0.0091 ( 989 PWs) bands (ev): -6.1942 -6.1942 4.0365 4.0365 4.6725 4.6725 4.7272 4.7274 6.2173 6.2173 7.6051 7.6051 7.6638 7.6649 7.6649 7.6653 k = 0.0333 0.0192 0.0136 ( 989 PWs) bands (ev): -6.1885 -6.1885 4.0014 4.0014 4.6066 4.6066 4.7180 4.7182 6.2820 6.2820 7.6175 7.6175 7.6773 7.6796 7.6807 7.6807 k = 0.0444 0.0257 0.0181 ( 1001 PWs) bands (ev): -6.1804 -6.1804 3.9480 3.9480 4.5315 4.5315 4.7052 4.7056 6.3570 6.3570 7.6354 7.6354 7.6962 7.6992 7.7050 7.7050 k = 0.0556 0.0321 0.0227 ( 1001 PWs) bands (ev): -6.1701 -6.1701 3.8733 3.8733 4.4572 4.4572 4.6893 4.6897 6.4333 6.4333 7.6589 7.6589 7.7200 7.7238 7.7404 7.7404 k = 0.0667 0.0385 0.0272 ( 1004 PWs) bands (ev): -6.1575 -6.1575 3.7763 3.7763 4.3901 4.3901 4.6703 4.6708 6.5032 6.5032 7.6874 7.6874 7.7483 7.7529 7.7901 7.7901 k = 0.0778 0.0449 0.0318 ( 1004 PWs) bands (ev): -6.1426 -6.1426 3.6588 3.6588 4.3322 4.3322 4.6485 4.6491 6.5612 6.5612 7.7199 7.7199 7.7807 7.7861 7.8569 7.8569 k = 0.0889 0.0513 0.0363 ( 1001 PWs) bands (ev): -6.1256 -6.1256 3.5249 3.5249 4.2824 4.2824 4.6243 4.6250 6.6043 6.6043 7.7555 7.7555 7.8167 7.8228 7.9425 7.9425 k = 0.1000 0.0577 0.0408 ( 1001 PWs) bands (ev): -6.1063 -6.1063 3.3790 3.3790 4.2384 4.2384 4.5980 4.5988 6.6317 6.6317 7.7935 7.7935 7.8556 7.8626 8.0461 8.0461 k = 0.1111 0.0642 0.0454 ( 1001 PWs) bands (ev): -6.0848 -6.0848 3.2246 3.2246 4.1982 4.1982 4.5698 4.5706 6.6446 6.6446 7.8335 7.8335 7.8970 7.9047 8.1657 8.1657 k = 0.1222 0.0706 0.0499 ( 1001 PWs) bands (ev): -6.0611 -6.0611 3.0645 3.0645 4.1605 4.1605 4.5400 4.5409 6.6452 6.6452 7.8750 7.8750 7.9401 7.9486 8.2987 8.2987 k = 0.1333 0.0770 0.0544 ( 1001 PWs) bands (ev): -6.0353 -6.0353 2.9008 2.9008 4.1242 4.1242 4.5089 4.5099 6.6358 6.6358 7.9176 7.9176 7.9844 7.9936 8.4421 8.4421 k = 0.1444 0.0834 0.0590 ( 1001 PWs) bands (ev): -6.0075 -6.0075 2.7348 2.7348 4.0888 4.0888 4.4768 4.4779 6.6187 6.6187 7.9606 7.9606 8.0290 8.0390 8.5937 8.5937 k = 0.1556 0.0898 0.0635 ( 1007 PWs) bands (ev): -5.9776 -5.9776 2.5676 2.5676 4.0540 4.0540 4.4440 4.4451 6.5956 6.5956 8.0034 8.0034 8.0733 8.0840 8.7513 8.7513 k = 0.1667 0.0962 0.0680 ( 1013 PWs) bands (ev): -5.9457 -5.9457 2.4000 2.4000 4.0197 4.0197 4.4106 4.4118 6.5681 6.5681 8.0456 8.0456 8.1166 8.1280 8.9135 8.9135 k = 0.1778 0.1026 0.0726 ( 1007 PWs) bands (ev): -5.9119 -5.9119 2.2328 2.2328 3.9857 3.9857 4.3770 4.3782 6.5374 6.5374 8.0864 8.0864 8.1583 8.1703 9.0790 9.0790 k = 0.1889 0.1091 0.0771 ( 1007 PWs) bands (ev): -5.8762 -5.8762 2.0663 2.0663 3.9522 3.9522 4.3433 4.3445 6.5045 6.5045 8.1252 8.1252 8.1977 8.2102 9.2469 9.2469 k = 0.2000 0.1155 0.0816 ( 1007 PWs) bands (ev): -5.8387 -5.8387 1.9011 1.9011 3.9190 3.9190 4.3096 4.3109 6.4701 6.4701 8.1616 8.1616 8.2343 8.2472 9.4164 9.4164 k = 0.2111 0.1219 0.0862 ( 1007 PWs) bands (ev): -5.7994 -5.7994 1.7374 1.7374 3.8864 3.8864 4.2763 4.2776 6.4348 6.4348 8.1949 8.1949 8.2674 8.2806 9.5867 9.5867 k = 0.2222 0.1283 0.0907 ( 1007 PWs) bands (ev): -5.7585 -5.7585 1.5757 1.5757 3.8543 3.8543 4.2433 4.2446 6.3990 6.3990 8.2249 8.2249 8.2968 8.3102 9.7573 9.7573 k = 0.2333 0.1347 0.0953 ( 1019 PWs) bands (ev): -5.7161 -5.7161 1.4162 1.4162 3.8228 3.8228 4.2109 4.2122 6.3633 6.3633 8.2511 8.2511 8.3221 8.3356 9.9276 9.9276 k = 0.2444 0.1411 0.0998 ( 1019 PWs) bands (ev): -5.6723 -5.6723 1.2592 1.2592 3.7921 3.7921 4.1791 4.1805 6.3278 6.3278 8.2734 8.2734 8.3432 8.3566 10.0968 10.0968 k = 0.2556 0.1475 0.1043 ( 1022 PWs) bands (ev): -5.6271 -5.6271 1.1050 1.1050 3.7622 3.7622 4.1482 4.1495 6.2928 6.2928 8.2917 8.2917 8.3600 8.3732 10.2640 10.2640 k = 0.2667 0.1540 0.1089 ( 1023 PWs) bands (ev): -5.5807 -5.5807 0.9538 0.9538 3.7331 3.7331 4.1181 4.1194 6.2586 6.2586 8.3061 8.3061 8.3726 8.3855 10.4280 10.4280 k = 0.2778 0.1604 0.1134 ( 1023 PWs) bands (ev): -5.5333 -5.5333 0.8060 0.8060 3.7050 3.7050 4.0890 4.0903 6.2253 6.2253 8.3166 8.3166 8.3812 8.3937 10.5871 10.5871 k = 0.2889 0.1668 0.1179 ( 1029 PWs) bands (ev): -5.4851 -5.4851 0.6617 0.6617 3.6779 3.6779 4.0609 4.0622 6.1931 6.1931 8.3235 8.3235 8.3861 8.3981 10.7385 10.7385 k = 0.3000 0.1732 0.1225 ( 1023 PWs) bands (ev): -5.4362 -5.4362 0.5213 0.5213 3.6519 3.6519 4.0340 4.0353 6.1621 6.1621 8.3271 8.3271 8.3876 8.3990 10.8784 10.8784 k = 0.3111 0.1796 0.1270 ( 1023 PWs) bands (ev): -5.3868 -5.3868 0.3851 0.3851 3.6270 3.6270 4.0083 4.0095 6.1324 6.1324 8.3278 8.3278 8.3862 8.3970 11.0016 11.0016 k = 0.3222 0.1860 0.1315 ( 1023 PWs) bands (ev): -5.3372 -5.3372 0.2532 0.2532 3.6033 3.6033 3.9838 3.9849 6.1041 6.1041 8.3259 8.3259 8.3823 8.3924 11.1019 11.1019 k = 0.3333 0.1925 0.1361 ( 1026 PWs) bands (ev): -5.2876 -5.2876 0.1262 0.1262 3.5809 3.5809 3.9605 3.9617 6.0772 6.0772 8.3219 8.3219 8.3763 8.3858 11.1750 11.1750 k = 0.3444 0.1989 0.1406 ( 1023 PWs) bands (ev): -5.2383 -5.2383 0.0042 0.0042 3.5597 3.5597 3.9386 3.9397 6.0519 6.0519 8.3161 8.3161 8.3687 8.3775 11.2209 11.2209 k = 0.3556 0.2053 0.1452 ( 1029 PWs) bands (ev): -5.1897 -5.1897 -0.1123 -0.1123 3.5398 3.5398 3.9181 3.9191 6.0282 6.0282 8.3090 8.3090 8.3598 8.3679 11.2441 11.2441 k = 0.3667 0.2117 0.1497 ( 1029 PWs) bands (ev): -5.1421 -5.1421 -0.2229 -0.2229 3.5212 3.5212 3.8990 3.9000 6.0060 6.0060 8.3010 8.3010 8.3502 8.3576 11.2512 11.2512 k = 0.3778 0.2181 0.1542 ( 1029 PWs) bands (ev): -5.0958 -5.0958 -0.3273 -0.3273 3.5041 3.5041 3.8813 3.8822 5.9856 5.9856 8.2924 8.2924 8.3401 8.3468 11.2480 11.2480 k = 0.3889 0.2245 0.1588 ( 1029 PWs) bands (ev): -5.0513 -5.0513 -0.4249 -0.4249 3.4883 3.4883 3.8651 3.8659 5.9668 5.9668 8.2835 8.2835 8.3299 8.3359 11.2387 11.2387 k = 0.4000 0.2309 0.1633 ( 1032 PWs) bands (ev): -5.0091 -5.0091 -0.5154 -0.5154 3.4740 3.4740 3.8503 3.8511 5.9498 5.9498 8.2747 8.2747 8.3199 8.3252 11.2261 11.2261 k = 0.4111 0.2374 0.1678 ( 1032 PWs) bands (ev): -4.9694 -4.9694 -0.5981 -0.5981 3.4611 3.4611 3.8371 3.8378 5.9345 5.9345 8.2661 8.2661 8.3102 8.3150 11.2121 11.2121 k = 0.4222 0.2438 0.1724 ( 1032 PWs) bands (ev): -4.9330 -4.9330 -0.6727 -0.6727 3.4497 3.4497 3.8254 3.8260 5.9209 5.9209 8.2581 8.2581 8.3013 8.3054 11.1981 11.1981 k = 0.4333 0.2502 0.1769 ( 1032 PWs) bands (ev): -4.9001 -4.9001 -0.7387 -0.7387 3.4398 3.4398 3.8153 3.8158 5.9092 5.9092 8.2507 8.2507 8.2932 8.2967 11.1848 11.1848 k = 0.4444 0.2566 0.1814 ( 1032 PWs) bands (ev): -4.8713 -4.8713 -0.7955 -0.7955 3.4314 3.4314 3.8066 3.8071 5.8992 5.8992 8.2442 8.2442 8.2861 8.2890 11.1728 11.1728 k = 0.4556 0.2630 0.1860 ( 1032 PWs) bands (ev): -4.8471 -4.8471 -0.8427 -0.8427 3.4245 3.4245 3.7996 3.8000 5.8910 5.8910 8.2387 8.2387 8.2802 8.2825 11.1626 11.1626 k = 0.4667 0.2694 0.1905 ( 1032 PWs) bands (ev): -4.8278 -4.8278 -0.8799 -0.8799 3.4191 3.4191 3.7941 3.7944 5.8847 5.8847 8.2343 8.2343 8.2755 8.2772 11.1544 11.1544 k = 0.4778 0.2758 0.1951 ( 1032 PWs) bands (ev): -4.8137 -4.8137 -0.9067 -0.9067 3.4153 3.4153 3.7902 3.7904 5.8801 5.8801 8.2311 8.2311 8.2722 8.2734 11.1484 11.1484 k = 0.4889 0.2823 0.1996 ( 1038 PWs) bands (ev): -4.8052 -4.8052 -0.9229 -0.9229 3.4129 3.4129 3.7879 3.7880 5.8774 5.8774 8.2291 8.2291 8.2703 8.2709 11.1447 11.1447 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): -4.8024 -4.8024 -0.9283 -0.9283 3.4122 3.4122 3.7871 3.7871 5.8764 5.8764 8.2284 8.2284 8.2698 8.2698 11.1434 11.1434 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): -4.8024 -4.8024 -0.9283 -0.9283 3.4122 3.4122 3.7871 3.7871 5.8764 5.8764 8.2284 8.2284 8.2698 8.2698 11.1434 11.1434 k = 0.5039 0.2774 0.2105 ( 1034 PWs) bands (ev): -4.8014 -4.8013 -0.9294 -0.9258 3.3963 3.4145 3.7791 3.7794 5.8815 5.8964 8.2262 8.2309 8.2709 8.2713 11.1449 11.1568 k = 0.5078 0.2661 0.2169 ( 1034 PWs) bands (ev): -4.7988 -4.7986 -0.9289 -0.9218 3.3660 3.4033 3.7557 3.7580 5.9110 5.9399 8.2202 8.2300 8.2779 8.2795 11.1608 11.1847 k = 0.5117 0.2548 0.2233 ( 1034 PWs) bands (ev): -4.7943 -4.7940 -0.9271 -0.9163 3.3203 3.3774 3.7202 3.7270 5.9625 6.0035 8.2068 8.2208 8.2969 8.2989 11.1900 11.2260 k = 0.5156 0.2436 0.2296 ( 1034 PWs) bands (ev): -4.7880 -4.7877 -0.9238 -0.9093 3.2586 3.3355 3.6776 3.6906 6.0323 6.0833 8.1877 8.2045 8.3276 8.3294 11.2307 11.2792 k = 0.5195 0.2323 0.2360 ( 1034 PWs) bands (ev): -4.7800 -4.7796 -0.9192 -0.9009 3.1814 3.2762 3.6330 3.6522 6.1159 6.1747 8.1659 8.1846 8.3684 8.3698 11.2804 11.3420 k = 0.5234 0.2210 0.2424 ( 1032 PWs) bands (ev): -4.7702 -4.7697 -0.9133 -0.8911 3.0904 3.2001 3.5895 3.6134 6.2087 6.2731 8.1445 8.1643 8.4183 8.4194 11.3357 11.4113 k = 0.5273 0.2097 0.2488 ( 1033 PWs) bands (ev): -4.7588 -4.7582 -0.9062 -0.8800 2.9883 3.1096 3.5481 3.5748 6.3059 6.3738 8.1269 8.1465 8.4768 8.4776 11.3922 11.4831 k = 0.5312 0.1985 0.2552 ( 1029 PWs) bands (ev): -4.7456 -4.7450 -0.8981 -0.8676 2.8779 3.0082 3.5084 3.5362 6.4029 6.4721 8.1168 8.1349 8.5436 8.5441 11.4443 11.5518 k = 0.5352 0.1872 0.2615 ( 1029 PWs) bands (ev): -4.7308 -4.7301 -0.8889 -0.8541 2.7614 2.8991 3.4696 3.4974 6.4950 6.5632 8.1186 8.1332 8.6181 8.6185 11.4845 11.6095 k = 0.5391 0.1759 0.2679 ( 1027 PWs) bands (ev): -4.7145 -4.7138 -0.8790 -0.8395 2.6411 2.7852 3.4308 3.4581 6.5775 6.6424 8.1365 8.1456 8.7001 8.7003 11.5040 11.6455 k = 0.5430 0.1646 0.2743 ( 1025 PWs) bands (ev): -4.6966 -4.6959 -0.8684 -0.8240 2.5187 2.6685 3.3919 3.4184 6.6462 6.7055 8.1745 8.1759 8.7891 8.7892 11.4940 11.6470 k = 0.5469 0.1534 0.2807 ( 1027 PWs) bands (ev): -4.6774 -4.6766 -0.8573 -0.8078 2.3955 2.5508 3.3524 3.3780 6.6981 6.7499 8.2269 8.2349 8.8846 8.8848 11.4488 11.6050 k = 0.5508 0.1421 0.2870 ( 1027 PWs) bands (ev): -4.6568 -4.6560 -0.8459 -0.7909 2.2728 2.4336 3.3126 3.3373 6.7317 6.7752 8.2998 8.3182 8.9863 8.9867 11.3696 11.5209 k = 0.5547 0.1308 0.2934 ( 1027 PWs) bands (ev): -4.6349 -4.6341 -0.8345 -0.7738 2.1516 2.3180 3.2723 3.2962 6.7479 6.7829 8.3937 8.4229 9.0939 9.0945 11.2629 11.4050 k = 0.5586 0.1195 0.2998 ( 1027 PWs) bands (ev): -4.6119 -4.6112 -0.8233 -0.7566 2.0328 2.2050 3.2318 3.2549 6.7485 6.7757 8.5065 8.5461 9.2071 9.2079 11.1367 11.2685 k = 0.5625 0.1083 0.3062 ( 1022 PWs) bands (ev): -4.5879 -4.5872 -0.8127 -0.7396 1.9175 2.0956 3.1913 3.2136 6.7365 6.7569 8.6351 8.6845 9.3255 9.3264 10.9982 11.1202 k = 0.5664 0.0970 0.3126 ( 1028 PWs) bands (ev): -4.5630 -4.5623 -0.8028 -0.7232 1.8063 1.9906 3.1508 3.1724 6.7148 6.7294 8.7760 8.8350 9.4485 9.4496 10.8527 10.9652 k = 0.5703 0.0857 0.3189 ( 1024 PWs) bands (ev): -4.5374 -4.5368 -0.7941 -0.7077 1.7002 1.8908 3.1105 3.1316 6.6860 6.6959 8.9262 8.9950 9.5760 9.5773 10.7041 10.8072 k = 0.5742 0.0744 0.3253 ( 1026 PWs) bands (ev): -4.5112 -4.5106 -0.7869 -0.6936 1.5999 1.7970 3.0708 3.0914 6.6523 6.6583 9.0822 9.1619 9.7073 9.7088 10.5558 10.6484 k = 0.5781 0.0631 0.3317 ( 1028 PWs) bands (ev): -4.4846 -4.4842 -0.7816 -0.6813 1.5064 1.7100 3.0316 3.0518 6.6153 6.6182 9.2399 9.3333 9.8420 9.8436 10.4120 10.4912 k = 0.5820 0.0519 0.3381 ( 1024 PWs) bands (ev): -4.4579 -4.4575 -0.7783 -0.6713 1.4204 1.6304 2.9933 3.0131 6.5764 6.5768 9.3922 9.5060 9.9788 9.9806 10.2802 10.3393 k = 0.5859 0.0406 0.3445 ( 1028 PWs) bands (ev): -4.4312 -4.4310 -0.7775 -0.6640 1.3428 1.5588 2.9558 2.9754 6.5349 6.5366 9.5227 9.6717 10.1079 10.1083 10.1872 10.2091 k = 0.5898 0.0293 0.3508 ( 1032 PWs) bands (ev): -4.4048 -4.4047 -0.7792 -0.6599 1.2743 1.4959 2.9195 2.9388 6.4933 6.4967 9.5927 9.7925 10.0945 10.1204 10.2738 10.2762 k = 0.5938 0.0180 0.3572 ( 1034 PWs) bands (ev): -4.3791 -4.3790 -0.7837 -0.6591 1.2156 1.4420 2.8843 2.9035 6.4526 6.4574 9.5644 9.7635 10.1590 10.1832 10.4152 10.4185 k = 0.5977 0.0068 0.3636 ( 1035 PWs) bands (ev): -4.3543 -4.3541 -0.7907 -0.6620 1.1672 1.3975 2.8505 2.8695 6.4131 6.4191 9.4679 9.6411 10.3145 10.3169 10.5602 10.5642 k = 0.6016-0.0045 0.3700 ( 1035 PWs) bands (ev): -4.3307 -4.3304 -0.8001 -0.6683 1.1294 1.3625 2.8182 2.8371 6.3753 6.3822 9.3442 9.5004 10.4735 10.4939 10.7061 10.7112 k = 0.6055-0.0158 0.3764 ( 1033 PWs) bands (ev): -4.3087 -4.3083 -0.8116 -0.6779 1.1023 1.3370 2.7874 2.8063 6.3393 6.3470 9.2107 9.3563 10.6409 10.6726 10.8526 10.8587 k = 0.6094-0.0271 0.3827 ( 1029 PWs) bands (ev): -4.2886 -4.2880 -0.8245 -0.6901 1.0857 1.3209 2.7583 2.7772 6.3055 6.3138 9.0742 9.2125 10.8060 10.8449 10.9999 11.0069 k = 0.6133-0.0383 0.3891 ( 1031 PWs) bands (ev): -4.2707 -4.2700 -0.8382 -0.7043 1.0793 1.3139 2.7309 2.7499 6.2738 6.2827 8.9372 9.0703 10.9603 11.0025 11.1489 11.1557 k = 0.6172-0.0496 0.3955 ( 1031 PWs) bands (ev): -4.2555 -4.2546 -0.8518 -0.7195 1.0825 1.3154 2.7053 2.7245 6.2446 6.2539 8.8014 8.9305 11.0958 11.1383 11.2962 11.3022 k = 0.6211-0.0609 0.4019 ( 1021 PWs) bands (ev): -4.2432 -4.2423 -0.8646 -0.7348 1.0945 1.3251 2.6816 2.7010 6.2179 6.2275 8.6675 8.7935 11.2075 11.2500 11.4281 11.4342 k = 0.6250-0.0722 0.4082 ( 1021 PWs) bands (ev): -4.2343 -4.2333 -0.8756 -0.7489 1.1147 1.3423 2.6598 2.6795 6.1937 6.2036 8.5360 8.6595 11.2925 11.3372 11.5244 11.5307 k = 0.6250-0.0722 0.4082 ( 1021 PWs) bands (ev): -4.2343 -4.2333 -0.8756 -0.7489 1.1147 1.3423 2.6598 2.6795 6.1937 6.2036 8.5360 8.6595 11.2925 11.3372 11.5244 11.5307 k = 0.6184-0.0684 0.4190 ( 1021 PWs) bands (ev): -4.2339 -4.2329 -0.8754 -0.7486 1.1155 1.3432 2.6506 2.6753 6.2017 6.2180 8.5370 8.6605 11.2418 11.2979 11.5127 11.5544 k = 0.6118-0.0646 0.4297 ( 1024 PWs) bands (ev): -4.2328 -4.2318 -0.8749 -0.7477 1.1178 1.3461 2.6255 2.6607 6.2293 6.2568 8.5397 8.6637 11.1342 11.2040 11.4684 11.5616 k = 0.6053-0.0608 0.4405 ( 1024 PWs) bands (ev): -4.2308 -4.2298 -0.8740 -0.7462 1.1216 1.3510 2.5876 2.6346 6.2779 6.3168 8.5444 8.6689 11.0075 11.0846 11.3842 11.5072 k = 0.5987-0.0570 0.4512 ( 1033 PWs) bands (ev): -4.2282 -4.2272 -0.8728 -0.7442 1.1269 1.3578 2.5390 2.5975 6.3468 6.3963 8.5508 8.6762 10.8734 10.9531 11.2720 11.4042 k = 0.5921-0.0532 0.4620 ( 1031 PWs) bands (ev): -4.2248 -4.2238 -0.8714 -0.7417 1.1336 1.3664 2.4817 2.5508 6.4344 6.4936 8.5590 8.6856 10.7359 10.8155 11.1433 11.2757 k = 0.5855-0.0494 0.4727 ( 1029 PWs) bands (ev): -4.2209 -4.2198 -0.8698 -0.7388 1.1416 1.3769 2.4177 2.4962 6.5390 6.6068 8.5690 8.6971 10.5970 10.6748 11.0051 11.1346 k = 0.5789-0.0456 0.4835 ( 1029 PWs) bands (ev): -4.2164 -4.2152 -0.8680 -0.7355 1.1509 1.3892 2.3491 2.4355 6.6588 6.7342 8.5807 8.7107 10.4579 10.5328 10.8616 10.9872 k = 0.5724-0.0418 0.4942 ( 1029 PWs) bands (ev): -4.2114 -4.2102 -0.8662 -0.7321 1.1613 1.4033 2.2776 2.3706 6.7919 6.8741 8.5941 8.7263 10.3193 10.3906 10.7154 10.8368 k = 0.5658-0.0380 0.5049 ( 1035 PWs) bands (ev): -4.2060 -4.2048 -0.8644 -0.7285 1.1725 1.4190 2.2051 2.3031 6.9368 7.0248 8.6090 8.7440 10.1817 10.2490 10.5681 10.6852 k = 0.5592-0.0342 0.5157 ( 1033 PWs) bands (ev): -4.2003 -4.1991 -0.8627 -0.7249 1.1844 1.4363 2.1332 2.2347 7.0917 7.1849 8.6253 8.7637 10.0458 10.1088 10.4209 10.5337 k = 0.5526-0.0304 0.5264 ( 1033 PWs) bands (ev): -4.1946 -4.1932 -0.8612 -0.7214 1.1966 1.4550 2.0636 2.1670 7.2552 7.3530 8.6431 8.7856 9.9121 9.9707 10.2747 10.3831 k = 0.5461-0.0266 0.5372 ( 1031 PWs) bands (ev): -4.1888 -4.1874 -0.8600 -0.7182 1.2089 1.4748 1.9978 2.1011 7.4255 7.5273 8.6621 8.8096 9.7812 9.8353 10.1300 10.2338 k = 0.5395-0.0228 0.5479 ( 1035 PWs) bands (ev): -4.1832 -4.1817 -0.8590 -0.7153 1.2206 1.4954 1.9373 2.0385 7.6007 7.7062 8.6823 8.8358 9.6541 9.7037 9.9878 10.0864 k = 0.5329-0.0190 0.5587 ( 1035 PWs) bands (ev): -4.1779 -4.1763 -0.8584 -0.7128 1.2314 1.5163 1.8838 1.9805 7.7786 7.8867 8.7040 8.8647 9.5320 9.5772 9.8487 9.9415 k = 0.5263-0.0152 0.5694 ( 1040 PWs) bands (ev): -4.1731 -4.1715 -0.8581 -0.7108 1.2405 1.5367 1.8388 1.9284 7.9553 8.0644 8.7284 8.8970 9.4168 9.4575 9.7142 9.7995 k = 0.5197-0.0114 0.5801 ( 1040 PWs) bands (ev): -4.1690 -4.1674 -0.8581 -0.7094 1.2475 1.5552 1.8039 1.8837 8.1244 8.2303 8.7592 8.9347 9.3118 9.3476 9.5865 9.6615 k = 0.5132-0.0076 0.5909 ( 1039 PWs) bands (ev): -4.1658 -4.1641 -0.8583 -0.7085 1.2522 1.5701 1.7802 1.8484 8.2736 8.3662 8.8055 8.9822 9.2223 9.2514 9.4704 9.5299 k = 0.5066-0.0038 0.6016 ( 1036 PWs) bands (ev): -4.1637 -4.1620 -0.8586 -0.7081 1.2545 1.5793 1.7678 1.8251 8.3798 8.4486 8.8719 9.0471 9.1570 9.1756 9.3768 9.4124 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -4.1629 -4.1613 -0.8587 -0.7080 1.2550 1.5822 1.7645 1.8169 8.4165 8.4738 8.9137 9.1084 9.1238 9.1396 9.3339 9.3488 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): -4.1629 -4.1613 -0.8587 -0.7080 1.2550 1.5822 1.7645 1.8169 8.4165 8.4738 8.9137 9.1084 9.1238 9.1396 9.3339 9.3488 k = 0.5000 0.0078 0.6013 ( 1036 PWs) bands (ev): -4.1645 -4.1628 -0.8575 -0.7069 1.2514 1.5748 1.7694 1.8314 8.3958 8.4722 8.9036 9.0490 9.1311 9.1792 9.3628 9.3757 k = 0.5000 0.0156 0.5903 ( 1038 PWs) bands (ev): -4.1690 -4.1674 -0.8541 -0.7034 1.2414 1.5559 1.7876 1.8676 8.3485 8.4568 8.8703 8.9722 9.1403 9.2416 9.4301 9.4422 k = 0.5000 0.0234 0.5793 ( 1038 PWs) bands (ev): -4.1766 -4.1750 -0.8486 -0.6980 1.2275 1.5320 1.8197 1.9159 8.2889 8.4229 8.8159 8.8913 9.1792 9.3154 9.5144 9.5283 k = 0.5000 0.0312 0.5682 ( 1040 PWs) bands (ev): -4.1870 -4.1855 -0.8413 -0.6909 1.2124 1.5079 1.8631 1.9717 8.2234 8.3753 8.7497 8.8097 9.2428 9.3997 9.6076 9.6240 k = 0.5000 0.0390 0.5572 ( 1036 PWs) bands (ev): -4.2000 -4.1987 -0.8326 -0.6825 1.1986 1.4868 1.9149 2.0326 8.1553 8.3194 8.6787 8.7290 9.3227 9.4926 9.7064 9.7252 k = 0.5000 0.0468 0.5462 ( 1034 PWs) bands (ev): -4.2156 -4.2144 -0.8229 -0.6736 1.1884 1.4706 1.9730 2.0972 8.0866 8.2590 8.6066 8.6501 9.4134 9.5920 9.8095 9.8304 k = 0.5000 0.0546 0.5351 ( 1034 PWs) bands (ev): -4.2335 -4.2324 -0.8126 -0.6646 1.1833 1.4603 2.0358 2.1646 8.0183 8.1964 8.5354 8.5735 9.5114 9.6966 9.9158 9.9386 k = 0.5000 0.0624 0.5241 ( 1032 PWs) bands (ev): -4.2534 -4.2525 -0.8025 -0.6562 1.1847 1.4570 2.1023 2.2342 7.9511 8.1330 8.4661 8.4996 9.6146 9.8055 10.0250 10.0495 k = 0.5000 0.0702 0.5131 ( 1034 PWs) bands (ev): -4.2751 -4.2744 -0.7929 -0.6490 1.1935 1.4612 2.1715 2.3054 7.8854 8.0696 8.3994 8.4286 9.7212 9.9177 10.1366 10.1625 k = 0.5000 0.0780 0.5020 ( 1032 PWs) bands (ev): -4.2984 -4.2978 -0.7843 -0.6437 1.2106 1.4735 2.2427 2.3778 7.8212 8.0065 8.3361 8.3610 9.8300 10.0324 10.2501 10.2774 k = 0.5000 0.0858 0.4910 ( 1034 PWs) bands (ev): -4.3229 -4.3225 -0.7772 -0.6406 1.2364 1.4943 2.3155 2.4511 7.7585 7.9436 8.2765 8.2970 9.9392 10.1486 10.3651 10.3937 k = 0.5000 0.0936 0.4800 ( 1032 PWs) bands (ev): -4.3485 -4.3483 -0.7719 -0.6401 1.2714 1.5237 2.3892 2.5248 7.6972 7.8808 8.2212 8.2371 10.0466 10.2646 10.4807 10.5109 k = 0.5000 0.1014 0.4689 ( 1034 PWs) bands (ev): -4.3749 -4.3748 -0.7686 -0.6423 1.3156 1.5618 2.4635 2.5985 7.6369 7.8178 8.1701 8.1821 10.1479 10.3769 10.5954 10.6275 k = 0.5000 0.1092 0.4579 ( 1036 PWs) bands (ev): -4.4018 -4.4017 -0.7674 -0.6472 1.3688 1.6086 2.5379 2.6720 7.5774 7.7543 8.1229 8.1331 10.2351 10.4773 10.7057 10.7406 k = 0.5000 0.1170 0.4469 ( 1032 PWs) bands (ev): -4.4292 -4.4289 -0.7684 -0.6548 1.4309 1.6640 2.6122 2.7448 7.5181 7.6899 8.0791 8.0917 10.2909 10.5430 10.8019 10.8438 k = 0.5000 0.1248 0.4358 ( 1038 PWs) bands (ev): -4.4566 -4.4562 -0.7716 -0.6647 1.5013 1.7275 2.6858 2.8167 7.4584 7.6242 8.0393 8.0573 10.2860 10.5271 10.8679 10.9346 k = 0.5000 0.1326 0.4248 ( 1038 PWs) bands (ev): -4.4839 -4.4834 -0.7766 -0.6767 1.5797 1.7988 2.7586 2.8872 7.3978 7.5568 8.0049 8.0295 10.2040 10.4157 10.9229 11.0306 k = 0.5000 0.1404 0.4138 ( 1036 PWs) bands (ev): -4.5108 -4.5103 -0.7834 -0.6905 1.6654 1.8775 2.8303 2.9562 7.3356 7.4874 7.9766 8.0080 10.0672 10.2537 10.9976 11.1384 k = 0.5000 0.1482 0.4027 ( 1038 PWs) bands (ev): -4.5373 -4.5367 -0.7917 -0.7057 1.7577 1.9629 2.9004 3.0232 7.2712 7.4155 7.9546 7.9925 9.9054 10.0742 11.0881 11.2510 k = 0.5000 0.1560 0.3917 ( 1038 PWs) bands (ev): -4.5631 -4.5624 -0.8012 -0.7220 1.8561 2.0545 2.9687 3.0880 7.2040 7.3407 7.9391 7.9830 9.7357 9.8912 11.1841 11.3614 k = 0.5000 0.1638 0.3807 ( 1034 PWs) bands (ev): -4.5881 -4.5874 -0.8117 -0.7389 1.9599 2.1516 3.0351 3.1504 7.1333 7.2627 7.9302 7.9792 9.5663 9.7109 11.2782 11.4644 k = 0.5000 0.1716 0.3696 ( 1032 PWs) bands (ev): -4.6122 -4.6114 -0.8227 -0.7563 2.0682 2.2535 3.0993 3.2101 7.0586 7.1808 7.9278 7.9810 9.4017 9.5365 11.3647 11.5550 k = 0.5000 0.1794 0.3586 ( 1034 PWs) bands (ev): -4.6352 -4.6344 -0.8342 -0.7737 2.1804 2.3594 3.1610 3.2669 6.9796 7.0947 7.9316 7.9880 9.2447 9.3701 11.4382 11.6281 k = 0.5000 0.1872 0.3476 ( 1034 PWs) bands (ev): -4.6571 -4.6563 -0.8458 -0.7910 2.2957 2.4685 3.2203 3.3207 6.8957 7.0042 7.9413 7.9998 9.0974 9.2133 11.4942 11.6786 k = 0.5000 0.1951 0.3365 ( 1028 PWs) bands (ev): -4.6777 -4.6769 -0.8573 -0.8079 2.4132 2.5797 3.2770 3.3715 6.8070 6.9090 7.9565 8.0161 8.9610 9.0674 11.5284 11.7025 k = 0.5000 0.2029 0.3255 ( 1028 PWs) bands (ev): -4.6969 -4.6961 -0.8684 -0.8242 2.5319 2.6919 3.3311 3.4192 6.7135 6.8094 7.9766 8.0362 8.8366 8.9332 11.5389 11.6985 k = 0.5000 0.2107 0.3145 ( 1026 PWs) bands (ev): -4.7147 -4.7140 -0.8791 -0.8397 2.6505 2.8037 3.3830 3.4639 6.6157 6.7058 8.0009 8.0595 8.7246 8.8114 11.5263 11.6687 k = 0.5000 0.2185 0.3034 ( 1024 PWs) bands (ev): -4.7310 -4.7303 -0.8890 -0.8542 2.7677 2.9134 3.4329 3.5060 6.5147 6.5992 8.0286 8.0851 8.6255 8.7023 11.4942 11.6185 k = 0.5000 0.2263 0.2924 ( 1024 PWs) bands (ev): -4.7457 -4.7451 -0.8981 -0.8678 2.8818 3.0186 3.4813 3.5458 6.4118 6.4908 8.0587 8.1123 8.5390 8.6060 11.4479 11.5546 k = 0.5000 0.2341 0.2814 ( 1028 PWs) bands (ev): -4.7588 -4.7583 -0.9063 -0.8801 2.9905 3.1167 3.5291 3.5838 6.3092 6.3825 8.0901 8.1397 8.4650 8.5223 11.3932 11.4836 k = 0.5000 0.2419 0.2703 ( 1034 PWs) bands (ev): -4.7703 -4.7698 -0.9133 -0.8912 3.0915 3.2044 3.5771 3.6209 6.2094 6.2765 8.1216 8.1664 8.4030 8.4509 11.3357 11.4111 k = 0.5000 0.2497 0.2593 ( 1032 PWs) bands (ev): -4.7801 -4.7796 -0.9192 -0.9010 3.1819 3.2784 3.6258 3.6575 6.1157 6.1757 8.1520 8.1909 8.3527 8.3915 11.2802 11.3417 k = 0.5000 0.2575 0.2483 ( 1032 PWs) bands (ev): -4.7881 -4.7877 -0.9238 -0.9094 3.2589 3.3364 3.6740 3.6938 6.0320 6.0834 8.1795 8.2116 8.3139 8.3437 11.2305 11.2790 k = 0.5000 0.2653 0.2372 ( 1032 PWs) bands (ev): -4.7943 -4.7940 -0.9271 -0.9163 3.3205 3.3778 3.7188 3.7285 5.9623 6.0034 8.2026 8.2262 8.2871 8.3073 11.1899 11.2258 k = 0.5000 0.2731 0.2262 ( 1032 PWs) bands (ev): -4.7988 -4.7986 -0.9289 -0.9218 3.3661 3.4034 3.7553 3.7585 5.9109 5.9397 8.2188 8.2322 8.2736 8.2831 11.1608 11.1846 k = 0.5000 0.2809 0.2152 ( 1032 PWs) bands (ev): -4.8014 -4.8013 -0.9294 -0.9258 3.3963 3.4145 3.7790 3.7794 5.8815 5.8964 8.2262 8.2310 8.2703 8.2718 11.1450 11.1568 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): -4.8024 -4.8024 -0.9283 -0.9283 3.4122 3.4122 3.7871 3.7871 5.8764 5.8764 8.2284 8.2284 8.2698 8.2698 11.1434 11.1434 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): -4.8024 -4.8024 -0.9283 -0.9283 3.4122 3.4122 3.7871 3.7871 5.8764 5.8764 8.2284 8.2284 8.2698 8.2698 11.1434 11.1434 k = 0.4961 0.2864 0.2169 ( 1034 PWs) bands (ev): -4.8014 -4.8013 -0.9294 -0.9258 3.3963 3.4145 3.7791 3.7794 5.8815 5.8964 8.2262 8.2309 8.2709 8.2713 11.1449 11.1568 k = 0.4922 0.2842 0.2296 ( 1034 PWs) bands (ev): -4.7988 -4.7986 -0.9289 -0.9218 3.3660 3.4033 3.7557 3.7580 5.9110 5.9399 8.2202 8.2300 8.2779 8.2795 11.1608 11.1847 k = 0.4883 0.2819 0.2424 ( 1034 PWs) bands (ev): -4.7943 -4.7940 -0.9271 -0.9163 3.3203 3.3774 3.7202 3.7270 5.9625 6.0035 8.2068 8.2208 8.2969 8.2989 11.1900 11.2260 k = 0.4844 0.2797 0.2552 ( 1034 PWs) bands (ev): -4.7880 -4.7877 -0.9238 -0.9093 3.2586 3.3355 3.6776 3.6906 6.0323 6.0833 8.1877 8.2045 8.3276 8.3294 11.2307 11.2792 k = 0.4805 0.2774 0.2679 ( 1034 PWs) bands (ev): -4.7800 -4.7796 -0.9192 -0.9009 3.1814 3.2762 3.6330 3.6522 6.1159 6.1747 8.1659 8.1846 8.3684 8.3698 11.2804 11.3420 k = 0.4766 0.2751 0.2807 ( 1032 PWs) bands (ev): -4.7702 -4.7697 -0.9133 -0.8911 3.0904 3.2001 3.5895 3.6134 6.2087 6.2731 8.1445 8.1643 8.4183 8.4194 11.3357 11.4113 k = 0.4727 0.2729 0.2934 ( 1033 PWs) bands (ev): -4.7588 -4.7582 -0.9062 -0.8800 2.9883 3.1096 3.5481 3.5748 6.3059 6.3738 8.1269 8.1465 8.4768 8.4776 11.3922 11.4831 k = 0.4688 0.2706 0.3062 ( 1029 PWs) bands (ev): -4.7456 -4.7450 -0.8981 -0.8676 2.8779 3.0082 3.5084 3.5362 6.4029 6.4721 8.1168 8.1349 8.5436 8.5441 11.4443 11.5518 k = 0.4648 0.2684 0.3189 ( 1029 PWs) bands (ev): -4.7308 -4.7301 -0.8889 -0.8541 2.7614 2.8991 3.4696 3.4974 6.4950 6.5632 8.1186 8.1332 8.6181 8.6185 11.4845 11.6095 k = 0.4609 0.2661 0.3317 ( 1027 PWs) bands (ev): -4.7145 -4.7138 -0.8790 -0.8395 2.6411 2.7852 3.4308 3.4581 6.5775 6.6424 8.1365 8.1456 8.7001 8.7003 11.5040 11.6455 k = 0.4570 0.2639 0.3445 ( 1025 PWs) bands (ev): -4.6966 -4.6959 -0.8684 -0.8240 2.5187 2.6685 3.3919 3.4184 6.6462 6.7055 8.1745 8.1759 8.7891 8.7892 11.4940 11.6470 k = 0.4531 0.2616 0.3572 ( 1027 PWs) bands (ev): -4.6774 -4.6766 -0.8573 -0.8078 2.3955 2.5508 3.3525 3.3780 6.6981 6.7499 8.2269 8.2349 8.8846 8.8848 11.4488 11.6050 k = 0.4492 0.2594 0.3700 ( 1027 PWs) bands (ev): -4.6568 -4.6560 -0.8459 -0.7909 2.2727 2.4336 3.3126 3.3373 6.7318 6.7752 8.2998 8.3182 8.9863 8.9867 11.3696 11.5209 k = 0.4453 0.2571 0.3827 ( 1027 PWs) bands (ev): -4.6349 -4.6341 -0.8345 -0.7738 2.1516 2.3180 3.2723 3.2962 6.7479 6.7829 8.3937 8.4229 9.0939 9.0945 11.2629 11.4050 k = 0.4414 0.2548 0.3955 ( 1027 PWs) bands (ev): -4.6119 -4.6112 -0.8233 -0.7566 2.0328 2.2050 3.2318 3.2549 6.7485 6.7757 8.5065 8.5461 9.2071 9.2079 11.1367 11.2685 k = 0.4375 0.2526 0.4082 ( 1022 PWs) bands (ev): -4.5879 -4.5872 -0.8127 -0.7396 1.9175 2.0956 3.1913 3.2136 6.7365 6.7569 8.6351 8.6845 9.3255 9.3264 10.9982 11.1202 k = 0.4336 0.2503 0.4210 ( 1028 PWs) bands (ev): -4.5630 -4.5623 -0.8028 -0.7232 1.8063 1.9906 3.1508 3.1724 6.7148 6.7294 8.7760 8.8350 9.4485 9.4496 10.8527 10.9652 k = 0.4297 0.2481 0.4338 ( 1024 PWs) bands (ev): -4.5374 -4.5368 -0.7941 -0.7077 1.7002 1.8908 3.1105 3.1316 6.6860 6.6959 8.9262 8.9950 9.5760 9.5773 10.7041 10.8072 k = 0.4258 0.2458 0.4465 ( 1026 PWs) bands (ev): -4.5112 -4.5106 -0.7869 -0.6936 1.5999 1.7970 3.0708 3.0914 6.6523 6.6583 9.0822 9.1618 9.7073 9.7088 10.5558 10.6484 k = 0.4219 0.2436 0.4593 ( 1028 PWs) bands (ev): -4.4846 -4.4842 -0.7816 -0.6813 1.5064 1.7100 3.0316 3.0518 6.6153 6.6182 9.2399 9.3333 9.8420 9.8436 10.4120 10.4912 k = 0.4180 0.2413 0.4720 ( 1024 PWs) bands (ev): -4.4579 -4.4575 -0.7783 -0.6713 1.4204 1.6304 2.9933 3.0131 6.5764 6.5768 9.3922 9.5060 9.9788 9.9806 10.2802 10.3393 k = 0.4141 0.2391 0.4848 ( 1028 PWs) bands (ev): -4.4312 -4.4310 -0.7775 -0.6640 1.3428 1.5588 2.9558 2.9754 6.5349 6.5366 9.5227 9.6717 10.1079 10.1083 10.1872 10.2091 k = 0.4102 0.2368 0.4976 ( 1032 PWs) bands (ev): -4.4048 -4.4047 -0.7792 -0.6599 1.2743 1.4959 2.9195 2.9388 6.4933 6.4967 9.5927 9.7925 10.0945 10.1204 10.2738 10.2762 k = 0.4062 0.2345 0.5103 ( 1034 PWs) bands (ev): -4.3791 -4.3790 -0.7837 -0.6591 1.2156 1.4420 2.8843 2.9035 6.4526 6.4574 9.5644 9.7635 10.1590 10.1832 10.4152 10.4185 k = 0.4023 0.2323 0.5231 ( 1035 PWs) bands (ev): -4.3543 -4.3541 -0.7907 -0.6620 1.1672 1.3975 2.8505 2.8695 6.4131 6.4191 9.4679 9.6411 10.3145 10.3169 10.5602 10.5642 k = 0.3984 0.2300 0.5358 ( 1035 PWs) bands (ev): -4.3307 -4.3304 -0.8001 -0.6683 1.1294 1.3625 2.8182 2.8371 6.3753 6.3822 9.3442 9.5004 10.4735 10.4939 10.7061 10.7112 k = 0.3945 0.2278 0.5486 ( 1033 PWs) bands (ev): -4.3087 -4.3082 -0.8116 -0.6779 1.1023 1.3370 2.7874 2.8063 6.3393 6.3470 9.2107 9.3563 10.6409 10.6726 10.8526 10.8587 k = 0.3906 0.2255 0.5613 ( 1029 PWs) bands (ev): -4.2886 -4.2880 -0.8245 -0.6901 1.0857 1.3209 2.7583 2.7772 6.3055 6.3138 9.0741 9.2125 10.8060 10.8449 10.9999 11.0069 k = 0.3867 0.2233 0.5741 ( 1031 PWs) bands (ev): -4.2707 -4.2700 -0.8382 -0.7043 1.0793 1.3139 2.7309 2.7499 6.2739 6.2827 8.9372 9.0703 10.9603 11.0025 11.1489 11.1557 k = 0.3828 0.2210 0.5869 ( 1031 PWs) bands (ev): -4.2555 -4.2546 -0.8518 -0.7195 1.0825 1.3154 2.7053 2.7245 6.2446 6.2539 8.8014 8.9305 11.0958 11.1383 11.2962 11.3022 k = 0.3789 0.2188 0.5996 ( 1021 PWs) bands (ev): -4.2432 -4.2423 -0.8646 -0.7348 1.0945 1.3251 2.6816 2.7010 6.2179 6.2275 8.6675 8.7935 11.2075 11.2500 11.4281 11.4342 k = 0.3750 0.2165 0.6124 ( 1021 PWs) bands (ev): -4.2343 -4.2333 -0.8756 -0.7489 1.1147 1.3423 2.6598 2.6795 6.1937 6.2036 8.5360 8.6595 11.2925 11.3372 11.5244 11.5307 k = 0.6250-0.0722 0.4082 ( 1021 PWs) bands (ev): -4.2343 -4.2333 -0.8756 -0.7489 1.1147 1.3423 2.6598 2.6795 6.1937 6.2036 8.5360 8.6595 11.2925 11.3372 11.5244 11.5307 k = 0.6184-0.0836 0.4082 ( 1021 PWs) bands (ev): -4.2233 -4.2223 -0.8915 -0.7707 1.1585 1.3803 2.6257 2.6459 6.1560 6.1662 8.3186 8.4384 11.4131 11.4636 11.6492 11.6547 k = 0.6118-0.0950 0.4082 ( 1025 PWs) bands (ev): -4.2143 -4.2132 -0.9065 -0.7920 1.2088 1.4244 2.5934 2.6141 6.1200 6.1304 8.1049 8.2215 11.5345 11.5904 11.7751 11.7804 k = 0.6053-0.1064 0.4082 ( 1025 PWs) bands (ev): -4.2070 -4.2059 -0.9204 -0.8126 1.2651 1.4742 2.5628 2.5841 6.0856 6.0964 7.8957 8.0093 11.6563 11.7175 11.9022 11.9076 k = 0.5987-0.1177 0.4082 ( 1029 PWs) bands (ev): -4.2012 -4.2002 -0.9335 -0.8326 1.3269 1.5291 2.5340 2.5561 6.0530 6.0641 7.6915 7.8023 11.7783 11.8444 12.0299 12.0358 k = 0.5921-0.1291 0.4082 ( 1029 PWs) bands (ev): -4.1969 -4.1958 -0.9459 -0.8520 1.3934 1.5885 2.5073 2.5302 6.0221 6.0335 7.4929 7.6010 11.9000 11.9709 12.1581 12.1646 k = 0.5855-0.1405 0.4082 ( 1033 PWs) bands (ev): -4.1937 -4.1926 -0.9574 -0.8706 1.4639 1.6515 2.4827 2.5064 5.9929 6.0047 7.3006 7.4060 12.0212 12.0962 12.2863 12.2935 k = 0.5789-0.1519 0.4082 ( 1033 PWs) bands (ev): -4.1915 -4.1905 -0.9681 -0.8884 1.5374 1.7172 2.4603 2.4849 5.9655 5.9776 7.1155 7.2179 12.1414 12.2199 12.4140 12.4220 k = 0.5724-0.1633 0.4082 ( 1033 PWs) bands (ev): -4.1901 -4.1892 -0.9779 -0.9054 1.6129 1.7846 2.4404 2.4659 5.9397 5.9522 6.9384 7.0377 12.2600 12.3413 12.5406 12.5494 k = 0.5658-0.1747 0.4082 ( 1033 PWs) bands (ev): -4.1894 -4.1885 -0.9869 -0.9214 1.6892 1.8522 2.4233 2.4496 5.9155 5.9284 6.7703 6.8661 12.3763 12.4596 12.6654 12.6749 k = 0.5592-0.1861 0.4082 ( 1033 PWs) bands (ev): -4.1893 -4.1885 -0.9950 -0.9365 1.7649 1.9184 2.4094 2.4363 5.8927 5.9060 6.6126 6.7043 12.4897 12.5737 12.7875 12.7975 k = 0.5526-0.1975 0.4082 ( 1023 PWs) bands (ev): -4.1895 -4.1887 -1.0021 -0.9504 1.8384 1.9812 2.3994 2.4263 5.8712 5.8849 6.4668 6.5538 12.5991 12.6825 12.9058 12.9162 k = 0.5461-0.2089 0.4082 ( 1023 PWs) bands (ev): -4.1899 -4.1893 -1.0082 -0.9632 1.9079 2.0383 2.3942 2.4199 5.8505 5.8644 6.3347 6.4159 12.7033 12.7844 13.0189 13.0293 k = 0.5395-0.2203 0.4082 ( 1019 PWs) bands (ev): -4.1906 -4.1900 -1.0131 -0.9749 1.9714 2.0869 2.3947 2.4178 5.8303 5.8438 6.2188 6.2929 12.8011 12.8778 13.1251 13.1351 k = 0.5329-0.2317 0.4082 ( 1021 PWs) bands (ev): -4.1913 -4.1908 -1.0170 -0.9852 2.0270 2.1246 2.4015 2.4199 5.8098 5.8221 6.1216 6.1867 12.8907 12.9606 13.2222 13.2314 k = 0.5263-0.2431 0.4082 ( 1021 PWs) bands (ev): -4.1919 -4.1916 -1.0196 -0.9944 2.0731 2.1506 2.4137 2.4262 5.7887 5.7983 6.0461 6.0997 12.9702 13.0308 13.3079 13.3159 k = 0.5197-0.2545 0.4082 ( 1029 PWs) bands (ev): -4.1925 -4.1923 -1.0211 -1.0022 2.1092 2.1657 2.4287 2.4353 5.7671 5.7728 5.9936 6.0334 13.0375 13.0860 13.3792 13.3855 k = 0.5132-0.2659 0.4082 ( 1034 PWs) bands (ev): -4.1930 -4.1928 -1.0212 -1.0086 2.1358 2.1721 2.4425 2.4450 5.7469 5.7491 5.9620 5.9875 13.0904 13.1244 13.4333 13.4377 k = 0.5066-0.2773 0.4082 ( 1034 PWs) bands (ev): -4.1932 -4.1931 -1.0201 -1.0138 2.1542 2.1718 2.4520 2.4526 5.7320 5.7324 5.9474 5.9597 13.1269 13.1444 13.4676 13.4698 k = 0.5000-0.2887 0.4082 ( 1034 PWs) bands (ev): -4.1933 -4.1933 -1.0176 -1.0176 2.1659 2.1659 2.4554 2.4554 5.7265 5.7265 5.9469 5.9469 13.1452 13.1452 13.4800 13.4800 Writing output data file AlSb.save init_run : 3.11s CPU 13.09s WALL ( 1 calls) electrons : 89.43s CPU 92.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.22s CPU 1.29s WALL ( 1 calls) Called by electrons: c_bands : 89.41s CPU 92.43s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.82s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.03s CPU 0.49s WALL ( 1 calls) newd : 0.20s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 346 calls) cegterg : 53.75s CPU 54.20s WALL ( 495 calls) Called by sum_band: Called by *egterg: h_psi : 31.15s CPU 34.06s WALL ( 7910 calls) s_psi : 1.20s CPU 2.15s WALL ( 7910 calls) g_psi : 0.03s CPU 0.06s WALL ( 7069 calls) cdiaghg : 12.14s CPU 11.94s WALL ( 7415 calls) cegterg:over : 5.08s CPU 3.85s WALL ( 7069 calls) cegterg:upda : 0.20s CPU 0.35s WALL ( 7069 calls) cegterg:last : 0.04s CPU 0.28s WALL ( 1731 calls) Called by h_psi: h_psi:vloc : 26.00s CPU 29.35s WALL ( 7910 calls) h_psi:vnl : 5.15s CPU 4.67s WALL ( 7910 calls) add_vuspsi : 0.38s CPU 1.33s WALL ( 7910 calls) General routines calbec : 4.75s CPU 3.25s WALL ( 7910 calls) fft : 0.11s CPU 1.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 24.90s CPU 27.96s WALL ( 336828 calls) interpolate : 0.06s CPU 0.09s WALL ( 4 calls) davcio : 0.02s CPU 1.04s WALL ( 692 calls) Parallel routines fft_scatter : 17.40s CPU 19.43s WALL ( 336851 calls) PWSCF : 1m49.38s CPU 2m27.67s WALL This run was terminated on: 22:13:46 25Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=