Program PWSCF v.5.1.1 starts on 25Aug2015 at 20:20: 9 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: ./ZnTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 26 17 5 611 318 52 Max 27 18 6 614 329 55 Sum 1261 823 253 29363 15473 2565 bravais-lattice index = 14 lattice parameter (alat) = 8.1230 a.u. unit-cell volume = 378.9945 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.122991 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 Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Zn 12.00 65.40900 Zn( 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 0.0961539), 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 0.1538462), 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 0.3461539), 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 0.4711539), 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 0.5961539), 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 0.7211539), 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 0.5454546), 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 0.3545455), 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 0.2454546), 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 0.0954546), 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 0.5195313), 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 0.6132813), 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: 29363 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 15473 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 92, 26) NL pseudopotentials 0.05 Mb ( 46, 68) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 612) G-vector shells 0.00 Mb ( 243) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 92, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.05 Mb ( 68, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ZnTe.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.1 secs Computing kpt #: 2 total cpu time spent up to now is 43.1 secs Computing kpt #: 3 total cpu time spent up to now is 43.6 secs Computing kpt #: 4 total cpu time spent up to now is 43.9 secs Computing kpt #: 5 total cpu time spent up to now is 44.3 secs Computing kpt #: 6 total cpu time spent up to now is 44.7 secs Computing kpt #: 7 total cpu time spent up to now is 45.3 secs Computing kpt #: 8 total cpu time spent up to now is 45.6 secs Computing kpt #: 9 total cpu time spent up to now is 45.9 secs Computing kpt #: 10 total cpu time spent up to now is 46.1 secs Computing kpt #: 11 total cpu time spent up to now is 46.4 secs Computing kpt #: 12 total cpu time spent up to now is 46.8 secs Computing kpt #: 13 total cpu time spent up to now is 47.1 secs Computing kpt #: 14 total cpu time spent up to now is 47.3 secs Computing kpt #: 15 total cpu time spent up to now is 47.6 secs Computing kpt #: 16 total cpu time spent up to now is 48.1 secs Computing kpt #: 17 total cpu time spent up to now is 48.4 secs Computing kpt #: 18 total cpu time spent up to now is 48.7 secs Computing kpt #: 19 total cpu time spent up to now is 49.0 secs Computing kpt #: 20 total cpu time spent up to now is 49.4 secs Computing kpt #: 21 total cpu time spent up to now is 49.9 secs Computing kpt #: 22 total cpu time spent up to now is 50.2 secs Computing kpt #: 23 total cpu time spent up to now is 50.6 secs Computing kpt #: 24 total cpu time spent up to now is 50.9 secs Computing kpt #: 25 total cpu time spent up to now is 51.2 secs Computing kpt #: 26 total cpu time spent up to now is 51.6 secs Computing kpt #: 27 total cpu time spent up to now is 52.1 secs Computing kpt #: 28 total cpu time spent up to now is 52.4 secs Computing kpt #: 29 total cpu time spent up to now is 52.9 secs Computing kpt #: 30 total cpu time spent up to now is 53.2 secs Computing kpt #: 31 total cpu time spent up to now is 53.7 secs Computing kpt #: 32 total cpu time spent up to now is 54.5 secs Computing kpt #: 33 total cpu time spent up to now is 54.8 secs Computing kpt #: 34 total cpu time spent up to now is 55.1 secs Computing kpt #: 35 total cpu time spent up to now is 55.6 secs Computing kpt #: 36 total cpu time spent up to now is 55.9 secs Computing kpt #: 37 total cpu time spent up to now is 56.3 secs Computing kpt #: 38 total cpu time spent up to now is 56.7 secs Computing kpt #: 39 total cpu time spent up to now is 57.1 secs Computing kpt #: 40 total cpu time spent up to now is 57.6 secs Computing kpt #: 41 total cpu time spent up to now is 58.0 secs Computing kpt #: 42 total cpu time spent up to now is 58.4 secs Computing kpt #: 43 total cpu time spent up to now is 58.9 secs Computing kpt #: 44 total cpu time spent up to now is 59.5 secs Computing kpt #: 45 total cpu time spent up to now is 59.9 secs Computing kpt #: 46 total cpu time spent up to now is 60.3 secs Computing kpt #: 47 total cpu time spent up to now is 60.7 secs Computing kpt #: 48 total cpu time spent up to now is 61.0 secs Computing kpt #: 49 total cpu time spent up to now is 61.4 secs Computing kpt #: 50 total cpu time spent up to now is 62.0 secs Computing kpt #: 51 total cpu time spent up to now is 62.5 secs Computing kpt #: 52 total cpu time spent up to now is 62.9 secs Computing kpt #: 53 total cpu time spent up to now is 63.3 secs Computing kpt #: 54 total cpu time spent up to now is 63.8 secs Computing kpt #: 55 total cpu time spent up to now is 64.5 secs Computing kpt #: 56 total cpu time spent up to now is 64.9 secs Computing kpt #: 57 total cpu time spent up to now is 65.5 secs Computing kpt #: 58 total cpu time spent up to now is 66.0 secs Computing kpt #: 59 total cpu time spent up to now is 66.5 secs Computing kpt #: 60 total cpu time spent up to now is 66.9 secs Computing kpt #: 61 total cpu time spent up to now is 67.2 secs Computing kpt #: 62 total cpu time spent up to now is 67.6 secs Computing kpt #: 63 total cpu time spent up to now is 67.9 secs Computing kpt #: 64 total cpu time spent up to now is 68.3 secs Computing kpt #: 65 total cpu time spent up to now is 68.7 secs Computing kpt #: 66 total cpu time spent up to now is 69.2 secs Computing kpt #: 67 total cpu time spent up to now is 69.6 secs Computing kpt #: 68 total cpu time spent up to now is 69.9 secs Computing kpt #: 69 total cpu time spent up to now is 70.2 secs Computing kpt #: 70 total cpu time spent up to now is 70.9 secs Computing kpt #: 71 total cpu time spent up to now is 71.3 secs Computing kpt #: 72 total cpu time spent up to now is 72.0 secs Computing kpt #: 73 total cpu time spent up to now is 72.6 secs Computing kpt #: 74 total cpu time spent up to now is 73.2 secs Computing kpt #: 75 total cpu time spent up to now is 73.6 secs Computing kpt #: 76 total cpu time spent up to now is 74.2 secs Computing kpt #: 77 total cpu time spent up to now is 74.8 secs Computing kpt #: 78 total cpu time spent up to now is 75.6 secs Computing kpt #: 79 total cpu time spent up to now is 76.1 secs Computing kpt #: 80 total cpu time spent up to now is 76.9 secs Computing kpt #: 81 total cpu time spent up to now is 77.5 secs Computing kpt #: 82 total cpu time spent up to now is 77.9 secs Computing kpt #: 83 total cpu time spent up to now is 78.3 secs Computing kpt #: 84 total cpu time spent up to now is 79.0 secs Computing kpt #: 85 total cpu time spent up to now is 79.3 secs Computing kpt #: 86 total cpu time spent up to now is 79.6 secs Computing kpt #: 87 total cpu time spent up to now is 79.8 secs Computing kpt #: 88 total cpu time spent up to now is 80.1 secs Computing kpt #: 89 total cpu time spent up to now is 80.4 secs Computing kpt #: 90 total cpu time spent up to now is 80.7 secs Computing kpt #: 91 total cpu time spent up to now is 81.2 secs Computing kpt #: 92 total cpu time spent up to now is 81.5 secs Computing kpt #: 93 total cpu time spent up to now is 81.9 secs Computing kpt #: 94 total cpu time spent up to now is 82.3 secs Computing kpt #: 95 total cpu time spent up to now is 82.7 secs Computing kpt #: 96 total cpu time spent up to now is 83.3 secs Computing kpt #: 97 total cpu time spent up to now is 83.8 secs Computing kpt #: 98 total cpu time spent up to now is 84.3 secs Computing kpt #: 99 total cpu time spent up to now is 85.0 secs Computing kpt #: 100 total cpu time spent up to now is 85.5 secs Computing kpt #: 101 total cpu time spent up to now is 86.4 secs Computing kpt #: 102 total cpu time spent up to now is 87.2 secs Computing kpt #: 103 total cpu time spent up to now is 87.9 secs Computing kpt #: 104 total cpu time spent up to now is 88.5 secs Computing kpt #: 105 total cpu time spent up to now is 89.0 secs Computing kpt #: 106 total cpu time spent up to now is 89.6 secs Computing kpt #: 107 total cpu time spent up to now is 90.0 secs Computing kpt #: 108 total cpu time spent up to now is 90.6 secs Computing kpt #: 109 total cpu time spent up to now is 91.2 secs Computing kpt #: 110 total cpu time spent up to now is 91.7 secs Computing kpt #: 111 total cpu time spent up to now is 92.3 secs Computing kpt #: 112 total cpu time spent up to now is 92.6 secs Computing kpt #: 113 total cpu time spent up to now is 93.1 secs Computing kpt #: 114 total cpu time spent up to now is 93.4 secs Computing kpt #: 115 total cpu time spent up to now is 93.9 secs Computing kpt #: 116 total cpu time spent up to now is 94.2 secs Computing kpt #: 117 total cpu time spent up to now is 94.5 secs Computing kpt #: 118 total cpu time spent up to now is 94.9 secs Computing kpt #: 119 total cpu time spent up to now is 95.2 secs Computing kpt #: 120 total cpu time spent up to now is 95.5 secs Computing kpt #: 121 total cpu time spent up to now is 96.5 secs Computing kpt #: 122 total cpu time spent up to now is 97.0 secs Computing kpt #: 123 total cpu time spent up to now is 97.6 secs Computing kpt #: 124 total cpu time spent up to now is 98.3 secs Computing kpt #: 125 total cpu time spent up to now is 98.7 secs Computing kpt #: 126 total cpu time spent up to now is 99.0 secs Computing kpt #: 127 total cpu time spent up to now is 99.6 secs Computing kpt #: 128 total cpu time spent up to now is 99.9 secs Computing kpt #: 129 total cpu time spent up to now is 100.2 secs Computing kpt #: 130 total cpu time spent up to now is 100.9 secs Computing kpt #: 131 total cpu time spent up to now is 101.2 secs Computing kpt #: 132 total cpu time spent up to now is 101.5 secs Computing kpt #: 133 total cpu time spent up to now is 101.7 secs Computing kpt #: 134 total cpu time spent up to now is 102.0 secs Computing kpt #: 135 total cpu time spent up to now is 102.7 secs Computing kpt #: 136 total cpu time spent up to now is 103.0 secs Computing kpt #: 137 total cpu time spent up to now is 103.6 secs Computing kpt #: 138 total cpu time spent up to now is 104.4 secs Computing kpt #: 139 total cpu time spent up to now is 105.2 secs Computing kpt #: 140 total cpu time spent up to now is 105.5 secs Computing kpt #: 141 total cpu time spent up to now is 106.4 secs Computing kpt #: 142 total cpu time spent up to now is 107.2 secs Computing kpt #: 143 total cpu time spent up to now is 107.8 secs Computing kpt #: 144 total cpu time spent up to now is 108.3 secs Computing kpt #: 145 total cpu time spent up to now is 108.7 secs Computing kpt #: 146 total cpu time spent up to now is 109.1 secs Computing kpt #: 147 total cpu time spent up to now is 109.5 secs Computing kpt #: 148 total cpu time spent up to now is 109.9 secs Computing kpt #: 149 total cpu time spent up to now is 110.2 secs Computing kpt #: 150 total cpu time spent up to now is 110.6 secs Computing kpt #: 151 total cpu time spent up to now is 110.9 secs Computing kpt #: 152 total cpu time spent up to now is 111.3 secs Computing kpt #: 153 total cpu time spent up to now is 111.6 secs Computing kpt #: 154 total cpu time spent up to now is 111.8 secs Computing kpt #: 155 total cpu time spent up to now is 112.1 secs Computing kpt #: 156 total cpu time spent up to now is 112.3 secs Computing kpt #: 157 total cpu time spent up to now is 112.6 secs Computing kpt #: 158 total cpu time spent up to now is 112.9 secs Computing kpt #: 159 total cpu time spent up to now is 113.2 secs Computing kpt #: 160 total cpu time spent up to now is 113.5 secs Computing kpt #: 161 total cpu time spent up to now is 113.8 secs Computing kpt #: 162 total cpu time spent up to now is 114.5 secs Computing kpt #: 163 total cpu time spent up to now is 114.8 secs Computing kpt #: 164 total cpu time spent up to now is 115.0 secs Computing kpt #: 165 total cpu time spent up to now is 115.4 secs Computing kpt #: 166 total cpu time spent up to now is 115.6 secs Computing kpt #: 167 total cpu time spent up to now is 116.1 secs Computing kpt #: 168 total cpu time spent up to now is 116.5 secs Computing kpt #: 169 total cpu time spent up to now is 116.8 secs Computing kpt #: 170 total cpu time spent up to now is 117.1 secs Computing kpt #: 171 total cpu time spent up to now is 117.4 secs Computing kpt #: 172 total cpu time spent up to now is 117.7 secs Computing kpt #: 173 total cpu time spent up to now is 117.9 secs Computing kpt #: 174 total cpu time spent up to now is 118.4 secs Computing kpt #: 175 total cpu time spent up to now is 118.8 secs Computing kpt #: 176 total cpu time spent up to now is 119.1 secs Computing kpt #: 177 total cpu time spent up to now is 119.4 secs Computing kpt #: 178 total cpu time spent up to now is 119.7 secs Computing kpt #: 179 total cpu time spent up to now is 120.0 secs Computing kpt #: 180 total cpu time spent up to now is 120.3 secs Computing kpt #: 181 total cpu time spent up to now is 120.6 secs Computing kpt #: 182 total cpu time spent up to now is 121.0 secs Computing kpt #: 183 total cpu time spent up to now is 121.3 secs Computing kpt #: 184 total cpu time spent up to now is 121.7 secs Computing kpt #: 185 total cpu time spent up to now is 122.5 secs Computing kpt #: 186 total cpu time spent up to now is 122.8 secs Computing kpt #: 187 total cpu time spent up to now is 123.9 secs Computing kpt #: 188 total cpu time spent up to now is 124.4 secs Computing kpt #: 189 total cpu time spent up to now is 124.8 secs Computing kpt #: 190 total cpu time spent up to now is 125.3 secs Computing kpt #: 191 total cpu time spent up to now is 125.8 secs Computing kpt #: 192 total cpu time spent up to now is 126.2 secs Computing kpt #: 193 total cpu time spent up to now is 126.8 secs Computing kpt #: 194 total cpu time spent up to now is 127.4 secs Computing kpt #: 195 total cpu time spent up to now is 127.9 secs Computing kpt #: 196 total cpu time spent up to now is 128.3 secs Computing kpt #: 197 total cpu time spent up to now is 128.7 secs Computing kpt #: 198 total cpu time spent up to now is 129.0 secs Computing kpt #: 199 total cpu time spent up to now is 129.4 secs Computing kpt #: 200 total cpu time spent up to now is 129.7 secs Computing kpt #: 201 total cpu time spent up to now is 130.1 secs Computing kpt #: 202 total cpu time spent up to now is 130.5 secs Computing kpt #: 203 total cpu time spent up to now is 131.0 secs Computing kpt #: 204 total cpu time spent up to now is 131.4 secs Computing kpt #: 205 total cpu time spent up to now is 131.7 secs Computing kpt #: 206 total cpu time spent up to now is 132.2 secs Computing kpt #: 207 total cpu time spent up to now is 132.7 secs Computing kpt #: 208 total cpu time spent up to now is 133.3 secs Computing kpt #: 209 total cpu time spent up to now is 133.7 secs Computing kpt #: 210 total cpu time spent up to now is 134.2 secs Computing kpt #: 211 total cpu time spent up to now is 134.6 secs Computing kpt #: 212 total cpu time spent up to now is 135.0 secs Computing kpt #: 213 total cpu time spent up to now is 135.4 secs Computing kpt #: 214 total cpu time spent up to now is 136.5 secs Computing kpt #: 215 total cpu time spent up to now is 137.4 secs Computing kpt #: 216 total cpu time spent up to now is 138.1 secs Computing kpt #: 217 total cpu time spent up to now is 138.9 secs Computing kpt #: 218 total cpu time spent up to now is 139.5 secs Computing kpt #: 219 total cpu time spent up to now is 139.9 secs Computing kpt #: 220 total cpu time spent up to now is 140.3 secs Computing kpt #: 221 total cpu time spent up to now is 140.6 secs Computing kpt #: 222 total cpu time spent up to now is 141.0 secs Computing kpt #: 223 total cpu time spent up to now is 141.3 secs Computing kpt #: 224 total cpu time spent up to now is 141.6 secs Computing kpt #: 225 total cpu time spent up to now is 141.9 secs Computing kpt #: 226 total cpu time spent up to now is 142.5 secs Computing kpt #: 227 total cpu time spent up to now is 142.8 secs Computing kpt #: 228 total cpu time spent up to now is 143.2 secs Computing kpt #: 229 total cpu time spent up to now is 143.6 secs Computing kpt #: 230 total cpu time spent up to now is 144.0 secs Computing kpt #: 231 total cpu time spent up to now is 144.7 secs Computing kpt #: 232 total cpu time spent up to now is 145.5 secs Computing kpt #: 233 total cpu time spent up to now is 146.3 secs Computing kpt #: 234 total cpu time spent up to now is 146.8 secs Computing kpt #: 235 total cpu time spent up to now is 147.3 secs Computing kpt #: 236 total cpu time spent up to now is 147.8 secs Computing kpt #: 237 total cpu time spent up to now is 148.3 secs Computing kpt #: 238 total cpu time spent up to now is 148.6 secs Computing kpt #: 239 total cpu time spent up to now is 149.0 secs Computing kpt #: 240 total cpu time spent up to now is 149.3 secs Computing kpt #: 241 total cpu time spent up to now is 149.7 secs Computing kpt #: 242 total cpu time spent up to now is 150.0 secs Computing kpt #: 243 total cpu time spent up to now is 150.3 secs Computing kpt #: 244 total cpu time spent up to now is 151.0 secs Computing kpt #: 245 total cpu time spent up to now is 151.5 secs Computing kpt #: 246 total cpu time spent up to now is 152.1 secs Computing kpt #: 247 total cpu time spent up to now is 153.3 secs Computing kpt #: 248 total cpu time spent up to now is 154.4 secs Computing kpt #: 249 total cpu time spent up to now is 154.8 secs Computing kpt #: 250 total cpu time spent up to now is 155.1 secs Computing kpt #: 251 total cpu time spent up to now is 155.3 secs Computing kpt #: 252 total cpu time spent up to now is 155.6 secs Computing kpt #: 253 total cpu time spent up to now is 155.9 secs Computing kpt #: 254 total cpu time spent up to now is 156.2 secs Computing kpt #: 255 total cpu time spent up to now is 156.5 secs Computing kpt #: 256 total cpu time spent up to now is 156.9 secs Computing kpt #: 257 total cpu time spent up to now is 157.2 secs Computing kpt #: 258 total cpu time spent up to now is 157.5 secs Computing kpt #: 259 total cpu time spent up to now is 157.9 secs Computing kpt #: 260 total cpu time spent up to now is 158.2 secs Computing kpt #: 261 total cpu time spent up to now is 158.6 secs Computing kpt #: 262 total cpu time spent up to now is 159.0 secs Computing kpt #: 263 total cpu time spent up to now is 159.4 secs Computing kpt #: 264 total cpu time spent up to now is 159.9 secs Computing kpt #: 265 total cpu time spent up to now is 160.3 secs Computing kpt #: 266 total cpu time spent up to now is 160.6 secs Computing kpt #: 267 total cpu time spent up to now is 161.0 secs Computing kpt #: 268 total cpu time spent up to now is 161.3 secs Computing kpt #: 269 total cpu time spent up to now is 161.8 secs Computing kpt #: 270 total cpu time spent up to now is 162.2 secs Computing kpt #: 271 total cpu time spent up to now is 162.7 secs Computing kpt #: 272 total cpu time spent up to now is 163.2 secs Computing kpt #: 273 total cpu time spent up to now is 163.6 secs Computing kpt #: 274 total cpu time spent up to now is 164.1 secs Computing kpt #: 275 total cpu time spent up to now is 164.8 secs Computing kpt #: 276 total cpu time spent up to now is 165.4 secs Computing kpt #: 277 total cpu time spent up to now is 166.0 secs Computing kpt #: 278 total cpu time spent up to now is 166.3 secs Computing kpt #: 279 total cpu time spent up to now is 167.3 secs Computing kpt #: 280 total cpu time spent up to now is 168.5 secs Computing kpt #: 281 total cpu time spent up to now is 169.0 secs Computing kpt #: 282 total cpu time spent up to now is 169.8 secs Computing kpt #: 283 total cpu time spent up to now is 170.4 secs Computing kpt #: 284 total cpu time spent up to now is 171.2 secs Computing kpt #: 285 total cpu time spent up to now is 172.1 secs Computing kpt #: 286 total cpu time spent up to now is 172.6 secs Computing kpt #: 287 total cpu time spent up to now is 173.2 secs Computing kpt #: 288 total cpu time spent up to now is 173.6 secs Computing kpt #: 289 total cpu time spent up to now is 174.0 secs Computing kpt #: 290 total cpu time spent up to now is 174.3 secs Computing kpt #: 291 total cpu time spent up to now is 174.7 secs Computing kpt #: 292 total cpu time spent up to now is 175.2 secs Computing kpt #: 293 total cpu time spent up to now is 175.6 secs Computing kpt #: 294 total cpu time spent up to now is 176.0 secs Computing kpt #: 295 total cpu time spent up to now is 176.4 secs Computing kpt #: 296 total cpu time spent up to now is 177.0 secs Computing kpt #: 297 total cpu time spent up to now is 177.4 secs Computing kpt #: 298 total cpu time spent up to now is 177.8 secs Computing kpt #: 299 total cpu time spent up to now is 178.5 secs Computing kpt #: 300 total cpu time spent up to now is 179.3 secs Computing kpt #: 301 total cpu time spent up to now is 180.0 secs Computing kpt #: 302 total cpu time spent up to now is 180.7 secs Computing kpt #: 303 total cpu time spent up to now is 181.4 secs Computing kpt #: 304 total cpu time spent up to now is 182.1 secs Computing kpt #: 305 total cpu time spent up to now is 182.7 secs Computing kpt #: 306 total cpu time spent up to now is 183.4 secs Computing kpt #: 307 total cpu time spent up to now is 184.1 secs Computing kpt #: 308 total cpu time spent up to now is 184.5 secs Computing kpt #: 309 total cpu time spent up to now is 185.1 secs Computing kpt #: 310 total cpu time spent up to now is 185.5 secs Computing kpt #: 311 total cpu time spent up to now is 186.0 secs Computing kpt #: 312 total cpu time spent up to now is 186.3 secs Computing kpt #: 313 total cpu time spent up to now is 186.7 secs Computing kpt #: 314 total cpu time spent up to now is 187.0 secs Computing kpt #: 315 total cpu time spent up to now is 187.4 secs Computing kpt #: 316 total cpu time spent up to now is 187.9 secs Computing kpt #: 317 total cpu time spent up to now is 188.5 secs Computing kpt #: 318 total cpu time spent up to now is 189.0 secs Computing kpt #: 319 total cpu time spent up to now is 189.4 secs Computing kpt #: 320 total cpu time spent up to now is 189.7 secs Computing kpt #: 321 total cpu time spent up to now is 190.1 secs Computing kpt #: 322 total cpu time spent up to now is 190.5 secs Computing kpt #: 323 total cpu time spent up to now is 191.0 secs Computing kpt #: 324 total cpu time spent up to now is 191.7 secs Computing kpt #: 325 total cpu time spent up to now is 192.2 secs Computing kpt #: 326 total cpu time spent up to now is 192.9 secs Computing kpt #: 327 total cpu time spent up to now is 193.4 secs Computing kpt #: 328 total cpu time spent up to now is 194.0 secs Computing kpt #: 329 total cpu time spent up to now is 194.6 secs Computing kpt #: 330 total cpu time spent up to now is 195.1 secs Computing kpt #: 331 total cpu time spent up to now is 195.4 secs Computing kpt #: 332 total cpu time spent up to now is 195.8 secs Computing kpt #: 333 total cpu time spent up to now is 196.2 secs Computing kpt #: 334 total cpu time spent up to now is 196.5 secs Computing kpt #: 335 total cpu time spent up to now is 197.1 secs Computing kpt #: 336 total cpu time spent up to now is 197.7 secs Computing kpt #: 337 total cpu time spent up to now is 198.2 secs Computing kpt #: 338 total cpu time spent up to now is 198.9 secs Computing kpt #: 339 total cpu time spent up to now is 199.4 secs Computing kpt #: 340 total cpu time spent up to now is 199.8 secs Computing kpt #: 341 total cpu time spent up to now is 200.2 secs Computing kpt #: 342 total cpu time spent up to now is 200.6 secs Computing kpt #: 343 total cpu time spent up to now is 201.0 secs Computing kpt #: 344 total cpu time spent up to now is 201.4 secs Computing kpt #: 345 total cpu time spent up to now is 201.9 secs Computing kpt #: 346 total cpu time spent up to now is 202.2 secs ethr = 5.56E-11, avg # of iterations = 20.6 total cpu time spent up to now is 202.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -6.3406 -6.3406 -1.5163 -1.5163 -1.5163 -1.5163 -1.2835 -1.2835 -1.0682 -1.0682 -1.0682 -1.0682 4.9105 4.9105 5.8006 5.8006 5.8006 5.8006 6.8189 6.8189 9.8178 9.8178 9.9412 9.9412 9.9412 9.9412 k = 0.0096-0.0056 0.0079 ( 1917 PWs) bands (ev): -6.3397 -6.3397 -1.5169 -1.5169 -1.5156 -1.5156 -1.2834 -1.2834 -1.0689 -1.0689 -1.0675 -1.0675 4.9050 4.9050 5.7845 5.7845 5.7968 5.7968 6.8374 6.8374 9.8195 9.8195 9.9394 9.9394 9.9458 9.9458 k = 0.0192-0.0111 0.0157 ( 1917 PWs) bands (ev): -6.3371 -6.3371 -1.5174 -1.5174 -1.5148 -1.5148 -1.2831 -1.2831 -1.0697 -1.0697 -1.0667 -1.0667 4.8885 4.8885 5.7399 5.7399 5.7856 5.7856 6.8896 6.8896 9.8220 9.8220 9.9370 9.9370 9.9596 9.9596 k = 0.0288-0.0167 0.0236 ( 1917 PWs) bands (ev): -6.3327 -6.3327 -1.5177 -1.5177 -1.5138 -1.5138 -1.2827 -1.2827 -1.0704 -1.0704 -1.0660 -1.0660 4.8609 4.8609 5.6744 5.6744 5.7671 5.7671 6.9677 6.9677 9.8171 9.8171 9.9424 9.9424 9.9824 9.9824 k = 0.0385-0.0222 0.0314 ( 1921 PWs) bands (ev): -6.3265 -6.3265 -1.5179 -1.5179 -1.5127 -1.5127 -1.2821 -1.2821 -1.0712 -1.0712 -1.0652 -1.0652 4.8219 4.8219 5.5963 5.5963 5.7417 5.7417 7.0639 7.0639 9.7973 9.7973 9.9638 9.9638 10.0141 10.0141 k = 0.0481-0.0278 0.0393 ( 1929 PWs) bands (ev): -6.3186 -6.3186 -1.5181 -1.5181 -1.5115 -1.5115 -1.2814 -1.2814 -1.0720 -1.0720 -1.0644 -1.0644 4.7716 4.7716 5.5117 5.5117 5.7098 5.7098 7.1719 7.1719 9.7631 9.7631 10.0012 10.0012 10.0544 10.0544 k = 0.0577-0.0333 0.0471 ( 1925 PWs) bands (ev): -6.3090 -6.3090 -1.5181 -1.5181 -1.5101 -1.5101 -1.2805 -1.2805 -1.0727 -1.0727 -1.0636 -1.0636 4.7101 4.7101 5.4251 5.4251 5.6718 5.6718 7.2875 7.2875 9.7188 9.7188 10.0514 10.0514 10.1031 10.1031 k = 0.0673-0.0389 0.0550 ( 1933 PWs) bands (ev): -6.2977 -6.2977 -1.5180 -1.5180 -1.5086 -1.5086 -1.2795 -1.2795 -1.0735 -1.0735 -1.0628 -1.0628 4.6376 4.6376 5.3390 5.3390 5.6282 5.6282 7.4075 7.4075 9.6674 9.6674 10.1119 10.1119 10.1597 10.1597 k = 0.0769-0.0444 0.0628 ( 1933 PWs) bands (ev): -6.2847 -6.2847 -1.5179 -1.5179 -1.5069 -1.5069 -1.2782 -1.2782 -1.0744 -1.0744 -1.0619 -1.0619 4.5550 4.5550 5.2549 5.2549 5.5797 5.5797 7.5296 7.5296 9.6112 9.6112 10.1812 10.1812 10.2239 10.2239 k = 0.0865-0.0500 0.0707 ( 1925 PWs) bands (ev): -6.2700 -6.2700 -1.5175 -1.5175 -1.5051 -1.5051 -1.2768 -1.2768 -1.0751 -1.0751 -1.0609 -1.0609 4.4633 4.4633 5.1735 5.1735 5.5269 5.5269 7.6519 7.6519 9.5520 9.5520 10.2581 10.2581 10.2955 10.2955 k = 0.0962-0.0555 0.0785 ( 1925 PWs) bands (ev): -6.2537 -6.2537 -1.5172 -1.5172 -1.5030 -1.5030 -1.2752 -1.2752 -1.0759 -1.0759 -1.0599 -1.0599 4.3638 4.3638 5.0945 5.0945 5.4702 5.4702 7.7728 7.7728 9.4913 9.4913 10.3416 10.3416 10.3743 10.3743 k = 0.1058-0.0611 0.0864 ( 1941 PWs) bands (ev): -6.2358 -6.2358 -1.5167 -1.5167 -1.5010 -1.5010 -1.2735 -1.2735 -1.0768 -1.0768 -1.0589 -1.0589 4.2579 4.2579 5.0178 5.0178 5.4103 5.4103 7.8905 7.8905 9.4308 9.4308 10.4307 10.4307 10.4601 10.4601 k = 0.1154-0.0666 0.0942 ( 1941 PWs) bands (ev): -6.2163 -6.2163 -1.5162 -1.5162 -1.4986 -1.4986 -1.2716 -1.2716 -1.0777 -1.0777 -1.0578 -1.0578 4.1469 4.1469 4.9428 4.9428 5.3476 5.3476 8.0030 8.0030 9.3719 9.3719 10.5243 10.5243 10.5530 10.5530 k = 0.1250-0.0722 0.1021 ( 1937 PWs) bands (ev): -6.1952 -6.1952 -1.5155 -1.5155 -1.4961 -1.4961 -1.2694 -1.2694 -1.0785 -1.0785 -1.0566 -1.0566 4.0321 4.0321 4.8692 4.8692 5.2827 5.2827 8.1082 8.1082 9.3165 9.3165 10.6219 10.6219 10.6525 10.6525 k = 0.1346-0.0777 0.1099 ( 1944 PWs) bands (ev): -6.1727 -6.1727 -1.5148 -1.5148 -1.4935 -1.4935 -1.2672 -1.2672 -1.0793 -1.0793 -1.0554 -1.0554 3.9143 3.9143 4.7965 4.7965 5.2159 5.2159 8.2034 8.2034 9.2668 9.2668 10.7230 10.7230 10.7581 10.7581 k = 0.1442-0.0833 0.1178 ( 1944 PWs) bands (ev): -6.1487 -6.1487 -1.5139 -1.5139 -1.4907 -1.4907 -1.2648 -1.2648 -1.0801 -1.0801 -1.0541 -1.0541 3.7943 3.7943 4.7246 4.7246 5.1478 5.1478 8.2853 8.2853 9.2252 9.2252 10.8277 10.8277 10.8689 10.8689 k = 0.1538-0.0888 0.1256 ( 1944 PWs) bands (ev): -6.1234 -6.1234 -1.5130 -1.5130 -1.4877 -1.4877 -1.2622 -1.2622 -1.0809 -1.0809 -1.0527 -1.0527 3.6730 3.6730 4.6533 4.6533 5.0787 5.0787 8.3503 8.3503 9.1944 9.1944 10.9359 10.9359 10.9843 10.9843 k = 0.1635-0.0944 0.1335 ( 1944 PWs) bands (ev): -6.0966 -6.0966 -1.5120 -1.5120 -1.4845 -1.4845 -1.2594 -1.2594 -1.0816 -1.0816 -1.0512 -1.0512 3.5506 3.5506 4.5825 4.5825 5.0089 5.0089 8.3951 8.3951 9.1766 9.1766 11.0474 11.0474 11.1037 11.1037 k = 0.1731-0.0999 0.1413 ( 1944 PWs) bands (ev): -6.0686 -6.0686 -1.5109 -1.5109 -1.4811 -1.4811 -1.2565 -1.2565 -1.0823 -1.0823 -1.0496 -1.0496 3.4277 3.4277 4.5123 4.5123 4.9387 4.9387 8.4183 8.4183 9.1722 9.1722 11.1619 11.1619 11.2265 11.2265 k = 0.1827-0.1055 0.1492 ( 1944 PWs) bands (ev): -6.0394 -6.0394 -1.5096 -1.5096 -1.4776 -1.4776 -1.2534 -1.2534 -1.0829 -1.0829 -1.0479 -1.0479 3.3047 3.3047 4.4428 4.4428 4.8685 4.8685 8.4210 8.4210 9.1788 9.1788 11.2790 11.2790 11.3526 11.3526 k = 0.1923-0.1110 0.1570 ( 1944 PWs) bands (ev): -6.0091 -6.0091 -1.5083 -1.5083 -1.4738 -1.4738 -1.2502 -1.2502 -1.0834 -1.0834 -1.0461 -1.0461 3.1817 3.1817 4.3739 4.3739 4.7985 4.7985 8.4067 8.4067 9.1918 9.1918 11.3985 11.3985 11.4814 11.4814 k = 0.2019-0.1166 0.1649 ( 1936 PWs) bands (ev): -5.9776 -5.9776 -1.5069 -1.5069 -1.4699 -1.4699 -1.2469 -1.2469 -1.0839 -1.0839 -1.0442 -1.0442 3.0591 3.0591 4.3058 4.3058 4.7289 4.7289 8.3799 8.3799 9.2056 9.2056 11.5200 11.5200 11.6128 11.6128 k = 0.2115-0.1221 0.1727 ( 1940 PWs) bands (ev): -5.9452 -5.9452 -1.5054 -1.5054 -1.4658 -1.4658 -1.2434 -1.2434 -1.0843 -1.0843 -1.0421 -1.0421 2.9370 2.9370 4.2385 4.2385 4.6600 4.6600 8.3447 8.3447 9.2156 9.2156 11.6432 11.6432 11.7465 11.7465 k = 0.2212-0.1277 0.1806 ( 1940 PWs) bands (ev): -5.9118 -5.9118 -1.5039 -1.5039 -1.4614 -1.4614 -1.2399 -1.2399 -1.0845 -1.0845 -1.0400 -1.0400 2.8156 2.8156 4.1723 4.1723 4.5920 4.5920 8.3042 8.3042 9.2184 9.2184 11.7676 11.7676 11.8823 11.8823 k = 0.2308-0.1332 0.1884 ( 1948 PWs) bands (ev): -5.8776 -5.8776 -1.5023 -1.5023 -1.4569 -1.4569 -1.2362 -1.2362 -1.0847 -1.0847 -1.0377 -1.0377 2.6951 2.6951 4.1071 4.1071 4.5249 4.5249 8.2607 8.2607 9.2121 9.2121 11.8931 11.8931 12.0200 12.0200 k = 0.2404-0.1388 0.1963 ( 1948 PWs) bands (ev): -5.8427 -5.8427 -1.5005 -1.5005 -1.4521 -1.4521 -1.2325 -1.2325 -1.0846 -1.0846 -1.0352 -1.0352 2.5756 2.5756 4.0432 4.0432 4.4591 4.4591 8.2158 8.2158 9.1958 9.1958 12.0194 12.0194 12.1594 12.1594 k = 0.2500-0.1443 0.2041 ( 1964 PWs) bands (ev): -5.8072 -5.8072 -1.4988 -1.4988 -1.4472 -1.4472 -1.2288 -1.2288 -1.0844 -1.0844 -1.0326 -1.0326 2.4573 2.4573 3.9806 3.9806 4.3946 4.3946 8.1706 8.1706 9.1696 9.1696 12.1465 12.1465 12.3003 12.3003 k = 0.2596-0.1499 0.2120 ( 1952 PWs) bands (ev): -5.7712 -5.7712 -1.4969 -1.4969 -1.4419 -1.4419 -1.2250 -1.2250 -1.0839 -1.0839 -1.0296 -1.0296 2.3403 2.3403 3.9194 3.9194 4.3315 4.3315 8.1259 8.1259 9.1343 9.1343 12.2744 12.2744 12.4426 12.4426 k = 0.2692-0.1554 0.2198 ( 1948 PWs) bands (ev): -5.7347 -5.7347 -1.4950 -1.4950 -1.4364 -1.4364 -1.2212 -1.2212 -1.0833 -1.0833 -1.0265 -1.0265 2.2248 2.2248 3.8597 3.8597 4.2701 4.2701 8.0822 8.0822 9.0909 9.0909 12.4033 12.4033 12.5862 12.5862 k = 0.2788-0.1610 0.2277 ( 1948 PWs) bands (ev): -5.6980 -5.6980 -1.4931 -1.4931 -1.4306 -1.4306 -1.2174 -1.2174 -1.0825 -1.0825 -1.0231 -1.0231 2.1108 2.1108 3.8017 3.8017 4.2104 4.2104 8.0401 8.0401 9.0407 9.0407 12.5334 12.5334 12.7308 12.7308 k = 0.2885-0.1665 0.2355 ( 1948 PWs) bands (ev): -5.6612 -5.6612 -1.4912 -1.4912 -1.4246 -1.4246 -1.2136 -1.2136 -1.0814 -1.0814 -1.0194 -1.0194 1.9985 1.9985 3.7454 3.7454 4.1525 4.1525 7.9998 7.9998 8.9851 8.9851 12.6650 12.6650 12.8764 12.8764 k = 0.2981-0.1721 0.2434 ( 1956 PWs) bands (ev): -5.6243 -5.6243 -1.4893 -1.4893 -1.4184 -1.4184 -1.2100 -1.2100 -1.0802 -1.0802 -1.0154 -1.0154 1.8881 1.8881 3.6910 3.6910 4.0965 4.0965 7.9615 7.9615 8.9251 8.9251 12.7981 12.7981 13.0228 13.0228 k = 0.3077-0.1776 0.2512 ( 1948 PWs) bands (ev): -5.5876 -5.5876 -1.4873 -1.4873 -1.4119 -1.4119 -1.2063 -1.2063 -1.0786 -1.0786 -1.0109 -1.0109 1.7797 1.7797 3.6384 3.6384 4.0426 4.0426 7.9254 7.9254 8.8621 8.8621 12.9327 12.9327 13.1700 13.1700 k = 0.3173-0.1832 0.2591 ( 1948 PWs) bands (ev): -5.5512 -5.5512 -1.4854 -1.4854 -1.4052 -1.4052 -1.2028 -1.2028 -1.0768 -1.0768 -1.0061 -1.0061 1.6736 1.6736 3.5879 3.5879 3.9907 3.9907 7.8918 7.8918 8.7971 8.7971 13.0687 13.0687 13.3176 13.3176 k = 0.3269-0.1887 0.2669 ( 1948 PWs) bands (ev): -5.5152 -5.5152 -1.4835 -1.4835 -1.3984 -1.3984 -1.1995 -1.1995 -1.0748 -1.0748 -1.0007 -1.0007 1.5697 1.5697 3.5395 3.5395 3.9411 3.9411 7.8607 7.8607 8.7309 8.7309 13.2058 13.2058 13.4656 13.4656 k = 0.3365-0.1943 0.2748 ( 1948 PWs) bands (ev): -5.4799 -5.4799 -1.4816 -1.4816 -1.3913 -1.3913 -1.1962 -1.1962 -1.0727 -1.0727 -0.9948 -0.9948 1.4684 1.4684 3.4932 3.4932 3.8937 3.8937 7.8322 7.8322 8.6642 8.6642 13.3439 13.3439 13.6137 13.6137 k = 0.3462-0.1999 0.2826 ( 1948 PWs) bands (ev): -5.4452 -5.4452 -1.4798 -1.4798 -1.3842 -1.3842 -1.1932 -1.1932 -1.0703 -1.0703 -0.9883 -0.9883 1.3699 1.3699 3.4492 3.4492 3.8487 3.8487 7.8065 7.8065 8.5978 8.5978 13.4826 13.4826 13.7618 13.7618 k = 0.3558-0.2054 0.2905 ( 1948 PWs) bands (ev): -5.4116 -5.4116 -1.4781 -1.4781 -1.3770 -1.3770 -1.1903 -1.1903 -1.0679 -1.0679 -0.9811 -0.9811 1.2743 1.2743 3.4074 3.4074 3.8060 3.8060 7.7835 7.7835 8.5322 8.5322 13.6214 13.6214 13.9096 13.9096 k = 0.3654-0.2110 0.2983 ( 1956 PWs) bands (ev): -5.3790 -5.3790 -1.4765 -1.4765 -1.3698 -1.3698 -1.1876 -1.1876 -1.0654 -1.0654 -0.9732 -0.9732 1.1820 1.1820 3.3681 3.3681 3.7658 3.7658 7.7633 7.7633 8.4678 8.4678 13.7600 13.7600 14.0567 14.0567 k = 0.3750-0.2165 0.3062 ( 1952 PWs) bands (ev): -5.3477 -5.3477 -1.4750 -1.4750 -1.3626 -1.3626 -1.1851 -1.1851 -1.0628 -1.0628 -0.9646 -0.9646 1.0931 1.0931 3.3311 3.3311 3.7282 3.7282 7.7461 7.7461 8.4050 8.4050 13.8979 13.8979 14.2029 14.2029 k = 0.3846-0.2221 0.3140 ( 1952 PWs) bands (ev): -5.3178 -5.3178 -1.4736 -1.4736 -1.3556 -1.3556 -1.1828 -1.1828 -1.0602 -1.0602 -0.9551 -0.9551 1.0080 1.0080 3.2967 3.2967 3.6931 3.6931 7.7317 7.7317 8.3442 8.3442 14.0344 14.0344 14.3476 14.3476 k = 0.3942-0.2276 0.3219 ( 1944 PWs) bands (ev): -5.2896 -5.2896 -1.4722 -1.4722 -1.3488 -1.3488 -1.1807 -1.1807 -1.0577 -1.0577 -0.9450 -0.9450 0.9271 0.9271 3.2648 3.2648 3.6606 3.6606 7.7203 7.7203 8.2856 8.2856 14.1689 14.1689 14.4903 14.4903 k = 0.4038-0.2332 0.3297 ( 1944 PWs) bands (ev): -5.2631 -5.2631 -1.4710 -1.4710 -1.3424 -1.3424 -1.1788 -1.1788 -1.0553 -1.0553 -0.9342 -0.9342 0.8506 0.8506 3.2355 3.2355 3.6308 3.6308 7.7119 7.7119 8.2295 8.2295 14.3005 14.3005 14.6303 14.6303 k = 0.4135-0.2387 0.3376 ( 1940 PWs) bands (ev): -5.2386 -5.2386 -1.4699 -1.4699 -1.3362 -1.3362 -1.1771 -1.1771 -1.0530 -1.0530 -0.9229 -0.9229 0.7790 0.7790 3.2088 3.2088 3.6038 3.6038 7.7064 7.7064 8.1760 8.1760 14.4284 14.4284 14.7665 14.7665 k = 0.4231-0.2443 0.3454 ( 1940 PWs) bands (ev): -5.2163 -5.2163 -1.4689 -1.4689 -1.3306 -1.3306 -1.1755 -1.1755 -1.0509 -1.0509 -0.9113 -0.9113 0.7127 0.7127 3.1849 3.1849 3.5794 3.5794 7.7039 7.7039 8.1255 8.1255 14.5512 14.5512 14.8979 14.8979 k = 0.4327-0.2498 0.3533 ( 1928 PWs) bands (ev): -5.1961 -5.1961 -1.4679 -1.4679 -1.3254 -1.3254 -1.1741 -1.1741 -1.0490 -1.0490 -0.8996 -0.8996 0.6523 0.6523 3.1636 3.1636 3.5579 3.5579 7.7042 7.7042 8.0780 8.0780 14.6676 14.6676 15.0231 15.0231 k = 0.4423-0.2554 0.3611 ( 1924 PWs) bands (ev): -5.1784 -5.1784 -1.4671 -1.4671 -1.3209 -1.3209 -1.1729 -1.1729 -1.0473 -1.0473 -0.8882 -0.8882 0.5983 0.5983 3.1452 3.1452 3.5391 3.5391 7.7074 7.7074 8.0337 8.0337 14.7758 14.7758 15.1401 15.1401 k = 0.4519-0.2609 0.3690 ( 1944 PWs) bands (ev): -5.1631 -5.1631 -1.4665 -1.4665 -1.3170 -1.3170 -1.1720 -1.1720 -1.0460 -1.0460 -0.8777 -0.8777 0.5511 0.5511 3.1295 3.1295 3.5232 3.5232 7.7133 7.7133 7.9929 7.9929 14.8737 14.8737 15.2467 15.2467 k = 0.4615-0.2665 0.3768 ( 1952 PWs) bands (ev): -5.1505 -5.1505 -1.4660 -1.4660 -1.3138 -1.3138 -1.1713 -1.1713 -1.0448 -1.0448 -0.8681 -0.8681 0.5115 0.5115 3.1166 3.1166 3.5102 3.5102 7.7215 7.7215 7.9560 7.9560 14.9590 14.9590 15.3403 15.3403 k = 0.4712-0.2720 0.3847 ( 1952 PWs) bands (ev): -5.1406 -5.1406 -1.4656 -1.4656 -1.3112 -1.3112 -1.1706 -1.1706 -1.0439 -1.0439 -0.8600 -0.8600 0.4800 0.4800 3.1066 3.1066 3.5000 3.5000 7.7315 7.7315 7.9237 7.9237 15.0292 15.0292 15.4179 15.4179 k = 0.4808-0.2776 0.3925 ( 1952 PWs) bands (ev): -5.1335 -5.1335 -1.4653 -1.4653 -1.3094 -1.3094 -1.1702 -1.1702 -1.0432 -1.0432 -0.8539 -0.8539 0.4571 0.4571 3.0994 3.0994 3.4928 3.4928 7.7422 7.7422 7.8970 7.8970 15.0816 15.0816 15.4763 15.4763 k = 0.4904-0.2831 0.4004 ( 1964 PWs) bands (ev): -5.1292 -5.1292 -1.4652 -1.4652 -1.3083 -1.3083 -1.1700 -1.1700 -1.0429 -1.0429 -0.8501 -0.8501 0.4431 0.4431 3.0951 3.0951 3.4884 3.4884 7.7511 7.7511 7.8785 7.8785 15.1141 15.1141 15.5127 15.5127 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -5.1277 -5.1277 -1.4652 -1.4652 -1.3079 -1.3079 -1.1699 -1.1699 -1.0427 -1.0427 -0.8488 -0.8488 0.4385 0.4385 3.0936 3.0936 3.4869 3.4869 7.7548 7.7548 7.8716 7.8716 15.1251 15.1251 15.5250 15.5250 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -5.1277 -5.1277 -1.4652 -1.4652 -1.3079 -1.3079 -1.1699 -1.1699 -1.0427 -1.0427 -0.8488 -0.8488 0.4385 0.4385 3.0936 3.0936 3.4869 3.4869 7.7548 7.7548 7.8716 7.8716 15.1251 15.1251 15.5250 15.5250 k = 0.5000-0.2776 0.4161 ( 1960 PWs) bands (ev): -5.1277 -5.1277 -1.4672 -1.4629 -1.3133 -1.3027 -1.1726 -1.1668 -1.0461 -1.0395 -0.8507 -0.8465 0.4332 0.4445 3.0806 3.1024 3.4835 3.4855 7.7529 7.7684 7.8761 7.8782 15.0668 15.1605 15.5031 15.5110 k = 0.5000-0.2665 0.4240 ( 1956 PWs) bands (ev): -5.1277 -5.1276 -1.4689 -1.4604 -1.3189 -1.2977 -1.1748 -1.1633 -1.0495 -1.0366 -0.8522 -0.8437 0.4287 0.4513 3.0634 3.1070 3.4753 3.4790 7.7625 7.7934 7.8918 7.8958 14.9894 15.1669 15.4487 15.4597 k = 0.5000-0.2554 0.4318 ( 1948 PWs) bands (ev): -5.1276 -5.1275 -1.4703 -1.4577 -1.3246 -1.2929 -1.1766 -1.1594 -1.0531 -1.0338 -0.8533 -0.8405 0.4250 0.4589 3.0422 3.1075 3.4625 3.4677 7.7834 7.8297 7.9186 7.9243 14.8956 15.1379 15.3651 15.3755 k = 0.5000-0.2443 0.4397 ( 1942 PWs) bands (ev): -5.1274 -5.1274 -1.4715 -1.4548 -1.3303 -1.2885 -1.1779 -1.1553 -1.0568 -1.0312 -0.8540 -0.8369 0.4219 0.4672 3.0171 3.1041 3.4455 3.4517 7.8154 7.8770 7.9563 7.9634 14.7873 15.0699 15.2554 15.2664 k = 0.5000-0.2332 0.4475 ( 1934 PWs) bands (ev): -5.1273 -5.1272 -1.4724 -1.4517 -1.3361 -1.2844 -1.1787 -1.1508 -1.0605 -1.0289 -0.8543 -0.8330 0.4196 0.4763 2.9884 3.0972 3.4247 3.4314 7.8581 7.9349 8.0047 8.0128 14.6659 14.9657 15.1233 15.1384 k = 0.5000-0.2221 0.4554 ( 1936 PWs) bands (ev): -5.1271 -5.1270 -1.4731 -1.4485 -1.3419 -1.2808 -1.1790 -1.1462 -1.0643 -1.0269 -0.8543 -0.8287 0.4180 0.4861 2.9565 3.0869 3.4007 3.4072 7.9111 8.0029 8.0636 8.0722 14.5328 14.8328 14.9724 14.9944 k = 0.5000-0.2110 0.4632 ( 1936 PWs) bands (ev): -5.1269 -5.1267 -1.4735 -1.4451 -1.3477 -1.2775 -1.1790 -1.1413 -1.0680 -1.0252 -0.8539 -0.8241 0.4170 0.4966 2.9217 3.0738 3.3739 3.3795 7.9737 8.0805 8.1325 8.1410 14.3893 14.6791 14.8060 14.8361 k = 0.5000-0.1999 0.4711 ( 1936 PWs) bands (ev): -5.1266 -5.1265 -1.4737 -1.4417 -1.3535 -1.2745 -1.1786 -1.1363 -1.0717 -1.0237 -0.8532 -0.8193 0.4167 0.5078 2.8846 3.0582 3.3449 3.3490 8.0455 8.1671 8.2111 8.2190 14.2369 14.5106 14.6275 14.6657 k = 0.5000-0.1887 0.4789 ( 1940 PWs) bands (ev): -5.1264 -5.1262 -1.4736 -1.4382 -1.3592 -1.2718 -1.1779 -1.1312 -1.0753 -1.0224 -0.8523 -0.8143 0.4169 0.5195 2.8454 3.0405 3.3143 3.3160 8.1258 8.2622 8.2989 8.3056 14.0768 14.3316 14.4397 14.4856 k = 0.5000-0.1776 0.4868 ( 1940 PWs) bands (ev): -5.1261 -5.1259 -1.4732 -1.4348 -1.3648 -1.2694 -1.1769 -1.1260 -1.0787 -1.0214 -0.8511 -0.8091 0.4176 0.5318 2.8048 3.0213 3.2812 3.2825 8.2139 8.3651 8.3954 8.4005 13.9104 14.1447 14.2450 14.2982 k = 0.5000-0.1665 0.4946 ( 1934 PWs) bands (ev): -5.1258 -5.1256 -1.4726 -1.4313 -1.3703 -1.2672 -1.1759 -1.1206 -1.0818 -1.0207 -0.8496 -0.8038 0.4188 0.5446 2.7631 3.0009 3.2452 3.2502 8.3093 8.4753 8.5001 8.5030 13.7388 13.9520 14.0455 14.1056 k = 0.5000-0.1554 0.5025 ( 1936 PWs) bands (ev): -5.1255 -5.1253 -1.4718 -1.4279 -1.3757 -1.2652 -1.1749 -1.1153 -1.0848 -1.0202 -0.8480 -0.7985 0.4204 0.5577 2.7210 2.9799 3.2085 3.2178 8.4113 8.5921 8.6125 8.6129 13.5632 13.7552 13.8428 13.9097 k = 0.5000-0.1443 0.5103 ( 1928 PWs) bands (ev): -5.1252 -5.1249 -1.4708 -1.4245 -1.3809 -1.2632 -1.1740 -1.1100 -1.0874 -1.0199 -0.8462 -0.7932 0.4223 0.5711 2.6788 2.9586 3.1716 3.1857 8.5191 8.7147 8.7297 8.7321 13.3845 13.5554 13.6385 13.7119 k = 0.5000-0.1332 0.5182 ( 1924 PWs) bands (ev): -5.1248 -5.1246 -1.4695 -1.4214 -1.3860 -1.2613 -1.1733 -1.1047 -1.0897 -1.0198 -0.8443 -0.7879 0.4246 0.5846 2.6372 2.9375 3.1350 3.1544 8.6321 8.8424 8.8531 8.8583 13.2038 13.3539 13.4339 13.5134 k = 0.5000-0.1221 0.5260 ( 1928 PWs) bands (ev): -5.1245 -5.1243 -1.4681 -1.4183 -1.3910 -1.2595 -1.1729 -1.0995 -1.0916 -1.0200 -0.8424 -0.7828 0.4270 0.5981 2.5965 2.9169 3.0991 3.1243 8.7494 8.9740 8.9832 8.9907 13.0218 13.1516 13.2302 13.3153 k = 0.5000-0.1110 0.5339 ( 1928 PWs) bands (ev): -5.1242 -5.1239 -1.4665 -1.4155 -1.3958 -1.2576 -1.1728 -1.0945 -1.0932 -1.0203 -0.8404 -0.7779 0.4296 0.6114 2.5572 2.8972 3.0645 3.0956 8.8701 9.1087 9.1194 9.1285 12.8392 12.9496 13.0289 13.1186 k = 0.5000-0.0999 0.5417 ( 1924 PWs) bands (ev): -5.1239 -5.1236 -1.4647 -1.4129 -1.4004 -1.2557 -1.1730 -1.0944 -1.0896 -1.0209 -0.8384 -0.7732 0.4323 0.6244 2.5199 2.8788 3.0316 3.0688 8.9932 9.2465 9.2602 9.2713 12.6564 12.7487 12.8315 12.9244 k = 0.5000-0.0888 0.5496 ( 1918 PWs) bands (ev): -5.1237 -5.1233 -1.4628 -1.4105 -1.4049 -1.2538 -1.1735 -1.0953 -1.0849 -1.0215 -0.8366 -0.7688 0.4349 0.6368 2.4850 2.8619 3.0007 3.0441 9.1174 9.3869 9.4043 9.4183 12.4740 12.5499 12.6401 12.7338 k = 0.5000-0.0777 0.5574 ( 1922 PWs) bands (ev): -5.1234 -5.1231 -1.4608 -1.4092 -1.4084 -1.2520 -1.1743 -1.0960 -1.0805 -1.0224 -0.8348 -0.7649 0.4375 0.6485 2.4529 2.8468 2.9721 3.0218 9.2411 9.5287 9.5507 9.5687 12.2920 12.3544 12.4569 12.5482 k = 0.5000-0.0666 0.5653 ( 1922 PWs) bands (ev): -5.1232 -5.1229 -1.4586 -1.4133 -1.4065 -1.2502 -1.1753 -1.0963 -1.0764 -1.0233 -0.8332 -0.7613 0.4399 0.6592 2.4241 2.8337 2.9463 3.0020 9.3623 9.6702 9.6983 9.7213 12.1112 12.1635 12.2849 12.3693 k = 0.5000-0.0555 0.5731 ( 1922 PWs) bands (ev): -5.1230 -5.1227 -1.4564 -1.4171 -1.4049 -1.2485 -1.1764 -1.0965 -1.0727 -1.0244 -0.8317 -0.7582 0.4420 0.6687 2.3989 2.8227 2.9235 2.9849 9.4780 9.8083 9.8453 9.8746 11.9330 11.9794 12.1269 12.1997 k = 0.5000-0.0444 0.5810 ( 1922 PWs) bands (ev): -5.1228 -5.1225 -1.4542 -1.4206 -1.4036 -1.2469 -1.1775 -1.0966 -1.0694 -1.0254 -0.8305 -0.7556 0.4439 0.6768 2.3778 2.8139 2.9041 2.9708 9.5848 9.9394 9.9890 10.0257 11.7604 11.8050 11.9866 12.0432 k = 0.5000-0.0333 0.5888 ( 1916 PWs) bands (ev): -5.1227 -5.1223 -1.4521 -1.4238 -1.4026 -1.2456 -1.1784 -1.0966 -1.0667 -1.0264 -0.8295 -0.7536 0.4454 0.6834 2.3610 2.8073 2.8884 2.9596 9.6778 10.0575 10.1244 10.1702 11.5985 11.6456 11.8682 11.9054 k = 0.5000-0.0222 0.5967 ( 1912 PWs) bands (ev): -5.1226 -5.1222 -1.4502 -1.4264 -1.4019 -1.2446 -1.1792 -1.0965 -1.0646 -1.0272 -0.8288 -0.7521 0.4465 0.6882 2.3488 2.8028 2.8768 2.9516 9.7512 10.1545 10.2424 10.2989 11.4569 11.5104 11.7771 11.7943 k = 0.5000-0.0111 0.6045 ( 1912 PWs) bands (ev): -5.1225 -5.1222 -1.4488 -1.4282 -1.4014 -1.2440 -1.1798 -1.0965 -1.0633 -1.0277 -0.8283 -0.7512 0.4472 0.6911 2.3415 2.8003 2.8696 2.9468 9.7987 10.2198 10.3275 10.3946 11.3533 11.4149 11.7190 11.7205 k = 0.5000-0.0000 0.6124 ( 1912 PWs) bands (ev): -5.1225 -5.1222 -1.4483 -1.4288 -1.4013 -1.2438 -1.1799 -1.0965 -1.0629 -1.0279 -0.8282 -0.7509 0.4474 0.6921 2.3390 2.7994 2.8672 2.9452 9.8152 10.2431 10.3595 10.4317 11.3136 11.3795 11.6944 11.6990 k = 0.5000-0.0000 0.6124 ( 1912 PWs) bands (ev): -5.1225 -5.1222 -1.4483 -1.4288 -1.4013 -1.2438 -1.1799 -1.0965 -1.0629 -1.0279 -0.8282 -0.7509 0.4474 0.6921 2.3390 2.7994 2.8672 2.9452 9.8152 10.2431 10.3595 10.4317 11.3136 11.3795 11.6944 11.6990 k = 0.4934 0.0114 0.6124 ( 1912 PWs) bands (ev): -5.1228 -5.1225 -1.4486 -1.4286 -1.4013 -1.2439 -1.1798 -1.0968 -1.0629 -1.0278 -0.8284 -0.7512 0.4477 0.6920 2.3383 2.7936 2.8713 2.9549 9.8024 10.2182 10.3446 10.4288 11.3290 11.3905 11.7129 11.7205 k = 0.4868 0.0228 0.6124 ( 1915 PWs) bands (ev): -5.1237 -5.1233 -1.4494 -1.4280 -1.4013 -1.2443 -1.1796 -1.0976 -1.0630 -1.0276 -0.8292 -0.7522 0.4481 0.6916 2.3357 2.7767 2.8862 2.9808 9.7600 10.1354 10.3145 10.4291 11.3770 11.4293 11.7635 11.7709 k = 0.4803 0.0342 0.6124 ( 1919 PWs) bands (ev): -5.1250 -5.1246 -1.4507 -1.4271 -1.4013 -1.2448 -1.1792 -1.0989 -1.0629 -1.0272 -0.8304 -0.7537 0.4487 0.6907 2.3308 2.7538 2.9122 3.0175 9.6857 10.0078 10.2857 10.4317 11.4507 11.4972 11.8348 11.8416 k = 0.4737 0.0456 0.6124 ( 1925 PWs) bands (ev): -5.1267 -5.1264 -1.4523 -1.4260 -1.4014 -1.2455 -1.1786 -1.1009 -1.0628 -1.0267 -0.8318 -0.7556 0.4491 0.6895 2.3235 2.7287 2.9478 3.0616 9.5830 9.8564 10.2628 10.4331 11.5411 11.5890 11.9177 11.9301 k = 0.4671 0.0570 0.6124 ( 1927 PWs) bands (ev): -5.1287 -5.1284 -1.4540 -1.4247 -1.4014 -1.2463 -1.1780 -1.1032 -1.0625 -1.0261 -0.8335 -0.7577 0.4493 0.6878 2.3140 2.7034 2.9916 3.1112 9.4599 9.6942 10.2460 10.4319 11.6431 11.6982 12.0099 12.0314 k = 0.4605 0.0684 0.6124 ( 1919 PWs) bands (ev): -5.1309 -5.1306 -1.4559 -1.4234 -1.4013 -1.2470 -1.1772 -1.1059 -1.0621 -1.0253 -0.8352 -0.7600 0.4493 0.6857 2.3030 2.6788 3.0423 3.1649 9.3246 9.5285 10.2334 10.4283 11.7540 11.8190 12.1098 12.1417 k = 0.4539 0.0798 0.6124 ( 1921 PWs) bands (ev): -5.1333 -5.1330 -1.4579 -1.4221 -1.4013 -1.2478 -1.1765 -1.1090 -1.0616 -1.0246 -0.8370 -0.7625 0.4489 0.6832 2.2910 2.6553 3.0985 3.2214 9.1838 9.3636 10.2232 10.4227 11.8721 11.9478 12.2159 12.2584 k = 0.4474 0.0912 0.6124 ( 1923 PWs) bands (ev): -5.1358 -5.1355 -1.4598 -1.4210 -1.4012 -1.2486 -1.1758 -1.1121 -1.0611 -1.0238 -0.8388 -0.7649 0.4484 0.6806 2.2785 2.6333 3.1587 3.2797 9.0425 9.2025 10.2145 10.4158 11.9959 12.0824 12.3264 12.3796 k = 0.4408 0.1026 0.6124 ( 1923 PWs) bands (ev): -5.1383 -5.1380 -1.4617 -1.4198 -1.4011 -1.2493 -1.1751 -1.1153 -1.0606 -1.0230 -0.8406 -0.7674 0.4475 0.6778 2.2659 2.6128 3.2215 3.3387 8.9041 9.0473 10.2065 10.4080 12.1241 12.2215 12.4399 12.5035 k = 0.4342 0.1140 0.6124 ( 1923 PWs) bands (ev): -5.1407 -5.1404 -1.4635 -1.4189 -1.4010 -1.2498 -1.1746 -1.1185 -1.0600 -1.0222 -0.8423 -0.7697 0.4465 0.6749 2.2537 2.5940 3.2854 3.3972 8.7716 8.8998 10.1992 10.3999 12.2558 12.3640 12.5549 12.6285 k = 0.4276 0.1253 0.6124 ( 1919 PWs) bands (ev): -5.1431 -5.1427 -1.4652 -1.4180 -1.4008 -1.2503 -1.1741 -1.1215 -1.0595 -1.0215 -0.8439 -0.7719 0.4454 0.6721 2.2421 2.5770 3.3491 3.4539 8.6472 8.7616 10.1923 10.3918 12.3898 12.5089 12.6697 12.7530 k = 0.4211 0.1367 0.6124 ( 1925 PWs) bands (ev): -5.1453 -5.1449 -1.4668 -1.4173 -1.4007 -1.2507 -1.1738 -1.1243 -1.0590 -1.0208 -0.8453 -0.7739 0.4442 0.6694 2.2315 2.5619 3.4110 3.5075 8.5329 8.6341 10.1860 10.3840 12.5250 12.6554 12.7830 12.8752 k = 0.4145 0.1481 0.6124 ( 1921 PWs) bands (ev): -5.1472 -5.1469 -1.4682 -1.4167 -1.4005 -1.2509 -1.1735 -1.1268 -1.0586 -1.0201 -0.8466 -0.7757 0.4430 0.6669 2.2219 2.5487 3.4697 3.5567 8.4305 8.5189 10.1802 10.3769 12.6598 12.8020 12.8934 12.9932 k = 0.4079 0.1595 0.6124 ( 1921 PWs) bands (ev): -5.1490 -5.1487 -1.4694 -1.4162 -1.4003 -1.2511 -1.1734 -1.1289 -1.0582 -1.0195 -0.8477 -0.7773 0.4418 0.6647 2.2136 2.5375 3.5236 3.6003 8.3416 8.4173 10.1752 10.3706 12.7916 12.9455 13.0011 13.1049 k = 0.4013 0.1709 0.6124 ( 1921 PWs) bands (ev): -5.1505 -5.1501 -1.4705 -1.4158 -1.4001 -1.2512 -1.1734 -1.1307 -1.0579 -1.0191 -0.8487 -0.7786 0.4408 0.6628 2.2066 2.5283 3.5712 3.6369 8.2677 8.3307 10.1710 10.3652 12.9161 13.0736 13.1152 13.2082 k = 0.3947 0.1823 0.6124 ( 1920 PWs) bands (ev): -5.1516 -5.1513 -1.4713 -1.4155 -1.3999 -1.2513 -1.1734 -1.1321 -1.0576 -1.0187 -0.8494 -0.7796 0.4400 0.6613 2.2011 2.5210 3.6111 3.6656 8.2100 8.2604 10.1676 10.3610 13.0252 13.1726 13.2443 13.3026 k = 0.3882 0.1937 0.6124 ( 1916 PWs) bands (ev): -5.1525 -5.1522 -1.4718 -1.4153 -1.3998 -1.2513 -1.1734 -1.1330 -1.0574 -1.0184 -0.8499 -0.7804 0.4394 0.6602 2.1971 2.5159 3.6417 3.6858 8.1693 8.2080 10.1651 10.3578 13.1085 13.2528 13.3646 13.3913 k = 0.3816 0.2051 0.6124 ( 1922 PWs) bands (ev): -5.1530 -5.1527 -1.4722 -1.4152 -1.3997 -1.2513 -1.1735 -1.1336 -1.0573 -1.0182 -0.8502 -0.7808 0.4390 0.6595 2.1947 2.5128 3.6614 3.6973 8.1457 8.1750 10.1636 10.3560 13.1590 13.3076 13.4515 13.4740 k = 0.3750 0.2165 0.6124 ( 1926 PWs) bands (ev): -5.1532 -5.1529 -1.4723 -1.4152 -1.3997 -1.2514 -1.1736 -1.1339 -1.0573 -1.0182 -0.8504 -0.7810 0.4388 0.6592 2.1939 2.5118 3.6683 3.7009 8.1382 8.1635 10.1631 10.3553 13.1757 13.3268 13.4878 13.5103 k = 0.3750 0.2165 0.6124 ( 1926 PWs) bands (ev): -5.1532 -5.1529 -1.4723 -1.4152 -1.3997 -1.2514 -1.1736 -1.1339 -1.0573 -1.0182 -0.8504 -0.7810 0.4388 0.6592 2.1939 2.5118 3.6683 3.7009 8.1382 8.1635 10.1631 10.3553 13.1757 13.3268 13.4878 13.5103 k = 0.3682 0.2126 0.6012 ( 1926 PWs) bands (ev): -5.1597 -5.1593 -1.4718 -1.4188 -1.3983 -1.2508 -1.1722 -1.1373 -1.0536 -1.0184 -0.8532 -0.7815 0.4465 0.6756 2.1595 2.4854 3.7068 3.7382 8.1726 8.1995 10.3409 10.5526 13.1048 13.2168 13.3767 13.3831 k = 0.3614 0.2086 0.5901 ( 1918 PWs) bands (ev): -5.1672 -5.1668 -1.4713 -1.4229 -1.3966 -1.2505 -1.1709 -1.1406 -1.0501 -1.0187 -0.8572 -0.7833 0.4560 0.6924 2.1326 2.4655 3.7471 3.7774 8.2079 8.2367 10.5090 10.7434 13.0460 13.1084 13.2625 13.2789 k = 0.3545 0.2047 0.5790 ( 1918 PWs) bands (ev): -5.1758 -5.1754 -1.4708 -1.4271 -1.3949 -1.2507 -1.1695 -1.1440 -1.0470 -1.0191 -0.8625 -0.7865 0.4678 0.7100 2.1136 2.4521 3.7889 3.8182 8.2440 8.2750 10.6631 10.9230 12.9931 12.9991 13.1581 13.2004 k = 0.3477 0.2008 0.5678 ( 1914 PWs) bands (ev): -5.1856 -5.1852 -1.4703 -1.4313 -1.3935 -1.2512 -1.1682 -1.1473 -1.0443 -1.0195 -0.8692 -0.7913 0.4823 0.7285 2.1026 2.4454 3.8322 3.8606 8.2808 8.3141 10.7984 11.0858 12.8875 12.9236 13.0956 13.1439 k = 0.3409 0.1968 0.5567 ( 1914 PWs) bands (ev): -5.1966 -5.1963 -1.4699 -1.4355 -1.3923 -1.2523 -1.1670 -1.1504 -1.0419 -1.0201 -0.8773 -0.7977 0.4997 0.7484 2.0997 2.4453 3.8768 3.9045 8.3179 8.3539 10.9104 11.2250 12.7742 12.8250 13.0856 13.0939 k = 0.3341 0.1929 0.5456 ( 1911 PWs) bands (ev): -5.2090 -5.2086 -1.4695 -1.4395 -1.3915 -1.2539 -1.1658 -1.1534 -1.0400 -1.0208 -0.8868 -0.8056 0.5205 0.7701 2.1046 2.4518 3.9227 3.9497 8.3551 8.3942 10.9960 11.3343 12.6602 12.7138 13.0011 13.0870 k = 0.3273 0.1890 0.5344 ( 1923 PWs) bands (ev): -5.2227 -5.2223 -1.4692 -1.4435 -1.3912 -1.2561 -1.1648 -1.1563 -1.0385 -1.0216 -0.8977 -0.8150 0.5449 0.7940 2.1172 2.4648 3.9697 3.9961 8.3922 8.4347 11.0545 11.4097 12.5467 12.5997 12.8761 13.0231 k = 0.3205 0.1850 0.5233 ( 1921 PWs) bands (ev): -5.2378 -5.2374 -1.4688 -1.4474 -1.3911 -1.2588 -1.1639 -1.1590 -1.0374 -1.0225 -0.9097 -0.8258 0.5733 0.8204 2.1372 2.4840 4.0178 4.0436 8.4287 8.4752 11.0880 11.4516 12.4343 12.4860 12.7443 12.9069 k = 0.3136 0.1811 0.5122 ( 1925 PWs) bands (ev): -5.2543 -5.2539 -1.4686 -1.4512 -1.3915 -1.2622 -1.1631 -1.1616 -1.0366 -1.0236 -0.9227 -0.8378 0.6057 0.8499 2.1642 2.5092 4.0668 4.0921 8.4645 8.5152 11.1005 11.4646 12.3234 12.3738 12.6122 12.7780 k = 0.3068 0.1771 0.5010 ( 1925 PWs) bands (ev): -5.2723 -5.2719 -1.4684 -1.4548 -1.3923 -1.2662 -1.1641 -1.1626 -1.0362 -1.0247 -0.9364 -0.8508 0.6423 0.8828 2.1977 2.5403 4.1165 4.1415 8.4990 8.5546 11.0967 11.4554 12.2144 12.2637 12.4815 12.6471 k = 0.3000 0.1732 0.4899 ( 1933 PWs) bands (ev): -5.2917 -5.2913 -1.4683 -1.4584 -1.3935 -1.2709 -1.1665 -1.1623 -1.0362 -1.0261 -0.9505 -0.8645 0.6834 0.9192 2.2373 2.5768 4.1670 4.1917 8.5319 8.5928 11.0813 11.4309 12.1075 12.1559 12.3531 12.5173 k = 0.2932 0.1693 0.4788 ( 1927 PWs) bands (ev): -5.3125 -5.3121 -1.4682 -1.4618 -1.3951 -1.2763 -1.1689 -1.1623 -1.0365 -1.0276 -0.9647 -0.8787 0.7288 0.9597 2.2827 2.6187 4.2180 4.2425 8.5627 8.6295 11.0585 11.3967 12.0027 12.0506 12.2274 12.3896 k = 0.2864 0.1653 0.4676 ( 1933 PWs) bands (ev): -5.3347 -5.3343 -1.4682 -1.4652 -1.3971 -1.2824 -1.1713 -1.1625 -1.0372 -1.0293 -0.9787 -0.8932 0.7786 1.0041 2.3334 2.6655 4.2695 4.2938 8.5910 8.6643 11.0314 11.3570 11.9001 11.9480 12.1048 12.2647 k = 0.2795 0.1614 0.4565 ( 1933 PWs) bands (ev): -5.3584 -5.3579 -1.4684 -1.4683 -1.3995 -1.2892 -1.1738 -1.1631 -1.0382 -1.0312 -0.9922 -0.9075 0.8329 1.0528 2.3890 2.7170 4.3212 4.3454 8.6162 8.6966 11.0025 11.3150 11.7998 11.8480 11.9855 12.1430 k = 0.2727 0.1575 0.4454 ( 1935 PWs) bands (ev): -5.3833 -5.3829 -1.4715 -1.4684 -1.4022 -1.2967 -1.1764 -1.1641 -1.0397 -1.0334 -1.0047 -0.9214 0.8916 1.1058 2.4492 2.7730 4.3732 4.3974 8.6380 8.7259 10.9738 11.2730 11.7017 11.7508 11.8701 12.0250 k = 0.2659 0.1535 0.4342 ( 1935 PWs) bands (ev): -5.4095 -5.4091 -1.4746 -1.4687 -1.4054 -1.3049 -1.1792 -1.1655 -1.0417 -1.0358 -1.0160 -0.9346 0.9546 1.1632 2.5137 2.8331 4.4252 4.4495 8.6558 8.7519 10.9464 11.2322 11.6061 11.6563 11.7589 11.9111 k = 0.2591 0.1496 0.4231 ( 1935 PWs) bands (ev): -5.4369 -5.4365 -1.4775 -1.4690 -1.4088 -1.3136 -1.1822 -1.1674 -1.0446 -1.0385 -1.0255 -0.9470 1.0219 1.2248 2.5820 2.8973 4.4771 4.5016 8.6692 8.7738 10.9211 11.1933 11.5131 11.5646 11.6526 11.8019 k = 0.2523 0.1456 0.4120 ( 1935 PWs) bands (ev): -5.4654 -5.4650 -1.4804 -1.4694 -1.4126 -1.3229 -1.1854 -1.1698 -1.0488 -1.0414 -1.0327 -0.9583 1.0934 1.2908 2.6540 2.9651 4.5289 4.5535 8.6780 8.7915 10.8980 11.1558 11.4234 11.4756 11.5520 11.6983 k = 0.2455 0.1417 0.4008 ( 1927 PWs) bands (ev): -5.4949 -5.4946 -1.4831 -1.4698 -1.4166 -1.3325 -1.1889 -1.1726 -1.0541 -1.0445 -1.0375 -0.9683 1.1691 1.3611 2.7293 3.0363 4.5803 4.6052 8.6820 8.8043 10.8768 11.1177 11.3387 11.3893 11.4583 11.6014 k = 0.2386 0.1378 0.3897 ( 1931 PWs) bands (ev): -5.5254 -5.5250 -1.4858 -1.4704 -1.4209 -1.3426 -1.1925 -1.1760 -1.0599 -1.0478 -1.0409 -0.9773 1.2488 1.4356 2.8077 3.1108 4.6313 4.6566 8.6810 8.8122 10.8562 11.0748 11.2615 11.3055 11.3736 11.5127 k = 0.2318 0.1338 0.3786 ( 1931 PWs) bands (ev): -5.5567 -5.5563 -1.4884 -1.4710 -1.4253 -1.3528 -1.1964 -1.1798 -1.0652 -1.0510 -1.0437 -0.9851 1.3326 1.5143 2.8890 3.1882 4.6818 4.7075 8.6750 8.8148 10.8344 11.0212 11.1930 11.2242 11.3027 11.4342 k = 0.2250 0.1299 0.3674 ( 1935 PWs) bands (ev): -5.5887 -5.5883 -1.4909 -1.4718 -1.4300 -1.3631 -1.2004 -1.1841 -1.0698 -1.0543 -1.0462 -0.9918 1.4202 1.5971 2.9728 3.2684 4.7316 4.7577 8.6642 8.8121 10.8088 10.9547 11.1282 11.1453 11.2528 11.3684 k = 0.2182 0.1260 0.3563 ( 1937 PWs) bands (ev): -5.6213 -5.6209 -1.4933 -1.4726 -1.4348 -1.3734 -1.2045 -1.1888 -1.0736 -1.0573 -1.0485 -0.9977 1.5117 1.6839 3.0589 3.3510 4.7806 4.8073 8.6488 8.8042 10.7768 10.8792 11.0611 11.0687 11.2257 11.3175 k = 0.2114 0.1220 0.3452 ( 1931 PWs) bands (ev): -5.6543 -5.6540 -1.4956 -1.4735 -1.4395 -1.3835 -1.2086 -1.1937 -1.0767 -1.0600 -1.0506 -1.0027 1.6070 1.7747 3.1472 3.4359 4.8287 4.8560 8.6291 8.7912 10.7364 10.7996 10.9921 10.9946 11.2154 11.2825 k = 0.2045 0.1181 0.3340 ( 1927 PWs) bands (ev): -5.6877 -5.6874 -1.4978 -1.4744 -1.4444 -1.3933 -1.2127 -1.1988 -1.0790 -1.0624 -1.0528 -1.0072 1.7060 1.8693 3.2374 3.5228 4.8758 4.9039 8.6055 8.7733 10.6876 10.7190 10.9231 10.9234 11.2156 11.2625 k = 0.1977 0.1142 0.3229 ( 1931 PWs) bands (ev): -5.7213 -5.7210 -1.5000 -1.4755 -1.4492 -1.4029 -1.2169 -1.2040 -1.0809 -1.0645 -1.0549 -1.0112 1.8085 1.9677 3.3291 3.6115 4.9219 4.9507 8.5784 8.7509 10.6316 10.6393 10.8544 10.8563 11.2224 11.2549 k = 0.1909 0.1102 0.3118 ( 1933 PWs) bands (ev): -5.7550 -5.7547 -1.5020 -1.4767 -1.4539 -1.4121 -1.2210 -1.2093 -1.0823 -1.0662 -1.0569 -1.0148 1.9146 2.0698 3.4223 3.7015 4.9669 4.9965 8.5481 8.7244 10.5614 10.5707 10.7885 10.7913 11.2328 11.2562 k = 0.1841 0.1063 0.3006 ( 1933 PWs) bands (ev): -5.7887 -5.7884 -1.5040 -1.4779 -1.4586 -1.4209 -1.2250 -1.2146 -1.0832 -1.0676 -1.0588 -1.0181 2.0241 2.1753 3.5166 3.7928 5.0107 5.0411 8.5150 8.6939 10.4862 10.5071 10.7253 10.7286 11.2445 11.2628 k = 0.1773 0.1023 0.2895 ( 1931 PWs) bands (ev): -5.8222 -5.8219 -1.5058 -1.4792 -1.4631 -1.4292 -1.2290 -1.2197 -1.0838 -1.0687 -1.0606 -1.0211 2.1368 2.2844 3.6118 3.8850 5.0532 5.0846 8.4794 8.6599 10.4140 10.4426 10.6648 10.6683 11.2553 11.2714 k = 0.1705 0.0984 0.2784 ( 1935 PWs) bands (ev): -5.8554 -5.8552 -1.5076 -1.4805 -1.4675 -1.4371 -1.2328 -1.2248 -1.0841 -1.0696 -1.0624 -1.0239 2.2528 2.3967 3.7075 3.9777 5.0946 5.1268 8.4417 8.6227 10.3452 10.3786 10.6068 10.6104 11.2631 11.2790 k = 0.1636 0.0945 0.2672 ( 1935 PWs) bands (ev): -5.8883 -5.8881 -1.5092 -1.4819 -1.4717 -1.4445 -1.2366 -1.2296 -1.0841 -1.0702 -1.0640 -1.0266 2.3719 2.5122 3.8037 4.0706 5.1346 5.1678 8.4020 8.5825 10.2800 10.3161 10.5513 10.5548 11.2658 11.2828 k = 0.1568 0.0905 0.2561 ( 1939 PWs) bands (ev): -5.9207 -5.9205 -1.5108 -1.4834 -1.4758 -1.4514 -1.2403 -1.2343 -1.0839 -1.0706 -1.0656 -1.0292 2.4939 2.6307 3.8998 4.1634 5.1735 5.2076 8.3605 8.5394 10.2187 10.2559 10.4982 10.5015 11.2613 11.2804 k = 0.1500 0.0866 0.2449 ( 1937 PWs) bands (ev): -5.9525 -5.9523 -1.5122 -1.4849 -1.4796 -1.4578 -1.2438 -1.2388 -1.0836 -1.0708 -1.0669 -1.0316 2.6187 2.7521 3.9957 4.2558 5.2112 5.2461 8.3174 8.4936 10.1615 10.1985 10.4474 10.4506 11.2477 11.2693 k = 0.1432 0.0827 0.2338 ( 1929 PWs) bands (ev): -5.9835 -5.9834 -1.5135 -1.4864 -1.4832 -1.4637 -1.2472 -1.2430 -1.0831 -1.0709 -1.0682 -1.0339 2.7461 2.8761 4.0910 4.3472 5.2478 5.2834 8.2726 8.4451 10.1086 10.1443 10.3991 10.4019 11.2233 11.2479 k = 0.1364 0.0787 0.2227 ( 1937 PWs) bands (ev): -6.0138 -6.0136 -1.5148 -1.4881 -1.4866 -1.4693 -1.2505 -1.2470 -1.0826 -1.0709 -1.0694 -1.0362 2.8760 3.0026 4.1854 4.4373 5.2834 5.3196 8.2260 8.3938 10.0601 10.0938 10.3530 10.3555 11.1872 11.2145 k = 0.1295 0.0748 0.2115 ( 1943 PWs) bands (ev): -6.0431 -6.0430 -1.5159 -1.4899 -1.4897 -1.4744 -1.2537 -1.2508 -1.0819 -1.0709 -1.0704 -1.0384 3.0082 3.1313 4.2787 4.5256 5.3181 5.3547 8.1775 8.3396 10.0163 10.0472 10.3092 10.3114 11.1387 11.1687 k = 0.1227 0.0709 0.2004 ( 1943 PWs) bands (ev): -6.0715 -6.0714 -1.5169 -1.4930 -1.4914 -1.4791 -1.2567 -1.2544 -1.0812 -1.0713 -1.0707 -1.0405 3.1423 3.2619 4.3705 4.6117 5.3521 5.3887 8.1270 8.2823 9.9771 10.0048 10.2677 10.2695 11.0783 11.1103 k = 0.1159 0.0669 0.1893 ( 1943 PWs) bands (ev): -6.0987 -6.0987 -1.5177 -1.4958 -1.4931 -1.4833 -1.2596 -1.2577 -1.0804 -1.0720 -1.0705 -1.0426 3.2781 3.3941 4.4605 4.6952 5.3855 5.4218 8.0741 8.2216 9.9429 9.9667 10.2284 10.2298 11.0068 11.0403 k = 0.1091 0.0630 0.1781 ( 1943 PWs) bands (ev): -6.1249 -6.1248 -1.5185 -1.4984 -1.4947 -1.4873 -1.2623 -1.2608 -1.0796 -1.0726 -1.0702 -1.0445 3.4153 3.5274 4.5486 4.7757 5.4185 5.4541 8.0186 8.1573 9.9135 9.9333 10.1914 10.1923 10.9260 10.9602 k = 0.1023 0.0590 0.1670 ( 1937 PWs) bands (ev): -6.1498 -6.1497 -1.5191 -1.5009 -1.4964 -1.4908 -1.2649 -1.2637 -1.0788 -1.0730 -1.0699 -1.0464 3.5534 3.6613 4.6346 4.8527 5.4513 5.4855 7.9599 8.0890 9.8890 9.9046 10.1567 10.1571 10.8380 10.8720 k = 0.0955 0.0551 0.1559 ( 1935 PWs) bands (ev): -6.1734 -6.1733 -1.5196 -1.5031 -1.4981 -1.4941 -1.2673 -1.2664 -1.0780 -1.0733 -1.0696 -1.0483 3.6918 3.7951 4.7185 4.9260 5.4840 5.5163 7.8977 8.0164 9.8694 9.8806 10.1241 10.1242 10.7451 10.7782 k = 0.0886 0.0512 0.1447 ( 1935 PWs) bands (ev): -6.1956 -6.1956 -1.5201 -1.5052 -1.4999 -1.4970 -1.2695 -1.2688 -1.0772 -1.0735 -1.0692 -1.0501 3.8299 3.9280 4.8003 4.9957 5.5167 5.5464 7.8315 7.9391 9.8546 9.8615 10.0933 10.0940 10.6497 10.6811 k = 0.0818 0.0472 0.1336 ( 1931 PWs) bands (ev): -6.2164 -6.2164 -1.5204 -1.5071 -1.5017 -1.4995 -1.2716 -1.2711 -1.0765 -1.0735 -1.0689 -1.0518 3.9668 4.0589 4.8806 5.0617 5.5494 5.5758 7.7609 7.8569 9.8442 9.8470 10.0648 10.0662 10.5544 10.5833 k = 0.0750 0.0433 0.1225 ( 1931 PWs) bands (ev): -6.2358 -6.2358 -1.5206 -1.5088 -1.5036 -1.5017 -1.2735 -1.2731 -1.0758 -1.0733 -1.0686 -1.0535 4.1014 4.1865 4.9599 5.1248 5.5819 5.6045 7.6856 7.7697 9.8370 9.8380 10.0387 10.0407 10.4611 10.4871 k = 0.0682 0.0394 0.1113 ( 1927 PWs) bands (ev): -6.2536 -6.2536 -1.5207 -1.5103 -1.5055 -1.5035 -1.2752 -1.2750 -1.0752 -1.0730 -1.0684 -1.0551 4.2321 4.3088 5.0393 5.1858 5.6139 5.6324 7.6054 7.6774 9.8311 9.8354 10.0149 10.0176 10.3719 10.3946 k = 0.0614 0.0354 0.1002 ( 1923 PWs) bands (ev): -6.2699 -6.2699 -1.5206 -1.5117 -1.5073 -1.5052 -1.2768 -1.2766 -1.0747 -1.0725 -1.0681 -1.0567 4.3572 4.4239 5.1201 5.2461 5.6450 5.6592 7.5203 7.5804 9.8288 9.8358 9.9936 9.9970 10.2885 10.3075 k = 0.0545 0.0315 0.0891 ( 1927 PWs) bands (ev): -6.2845 -6.2845 -1.5206 -1.5129 -1.5090 -1.5068 -1.2782 -1.2781 -1.0742 -1.0720 -1.0680 -1.0582 4.4741 4.5294 5.2036 5.3075 5.6747 5.6849 7.4306 7.4791 9.8292 9.8382 9.9750 9.9790 10.2124 10.2276 k = 0.0477 0.0276 0.0779 ( 1935 PWs) bands (ev): -6.2975 -6.2975 -1.5204 -1.5140 -1.5106 -1.5083 -1.2795 -1.2794 -1.0737 -1.0715 -1.0679 -1.0597 4.5803 4.6231 5.2911 5.3720 5.7024 5.7089 7.3371 7.3746 9.8313 9.8412 9.9596 9.9640 10.1448 10.1562 k = 0.0409 0.0236 0.0668 ( 1937 PWs) bands (ev): -6.3089 -6.3089 -1.5201 -1.5148 -1.5119 -1.5097 -1.2806 -1.2805 -1.0732 -1.0709 -1.0678 -1.0611 4.6732 4.7033 5.3827 5.4411 5.7275 5.7309 7.2408 7.2684 9.8338 9.8433 9.9480 9.9522 10.0866 10.0943 k = 0.0341 0.0197 0.0557 ( 1929 PWs) bands (ev): -6.3185 -6.3185 -1.5197 -1.5155 -1.5131 -1.5110 -1.2814 -1.2814 -1.0725 -1.0703 -1.0677 -1.0624 4.7505 4.7694 5.4770 5.5154 5.7494 5.7507 7.1439 7.1626 9.8350 9.8427 9.9407 9.9440 10.0385 10.0429 k = 0.0273 0.0157 0.0445 ( 1921 PWs) bands (ev): -6.3264 -6.3264 -1.5192 -1.5160 -1.5141 -1.5122 -1.2822 -1.2821 -1.0717 -1.0697 -1.0676 -1.0637 4.8116 4.8218 5.5707 5.5929 5.7676 5.7678 7.0493 7.0606 9.8337 9.8387 9.9377 9.9395 10.0010 10.0027 k = 0.0205 0.0118 0.0334 ( 1917 PWs) bands (ev): -6.3326 -6.3326 -1.5186 -1.5163 -1.5149 -1.5133 -1.2827 -1.2827 -1.0709 -1.0693 -1.0677 -1.0649 4.8568 4.8612 5.6583 5.6689 5.7814 5.7823 6.9618 6.9674 9.8297 9.8321 9.9378 9.9383 9.9735 9.9736 k = 0.0136 0.0079 0.0223 ( 1917 PWs) bands (ev): -6.3370 -6.3370 -1.5179 -1.5165 -1.5155 -1.5144 -1.2831 -1.2831 -1.0701 -1.0689 -1.0678 -1.0660 4.8874 4.8887 5.7322 5.7358 5.7917 5.7927 6.8881 6.8900 9.8242 9.8250 9.9391 9.9393 9.9545 9.9553 k = 0.0068 0.0039 0.0111 ( 1917 PWs) bands (ev): -6.3397 -6.3397 -1.5172 -1.5165 -1.5160 -1.5154 -1.2834 -1.2834 -1.0692 -1.0685 -1.0680 -1.0672 4.9049 4.9051 5.7825 5.7832 5.7982 5.7988 6.8373 6.8376 9.8196 9.8197 9.9404 9.9407 9.9442 9.9448 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -6.3406 -6.3406 -1.5163 -1.5163 -1.5163 -1.5163 -1.2835 -1.2835 -1.0682 -1.0682 -1.0682 -1.0682 4.9105 4.9105 5.8006 5.8006 5.8006 5.8006 6.8189 6.8189 9.8178 9.8178 9.9412 9.9412 9.9412 9.9412 k = 0.0000 0.0000 0.0000 ( 1917 PWs) bands (ev): -6.3406 -6.3406 -1.5163 -1.5163 -1.5163 -1.5163 -1.2835 -1.2835 -1.0682 -1.0682 -1.0682 -1.0682 4.9105 4.9105 5.8006 5.8006 5.8006 5.8006 6.8189 6.8189 9.8178 9.8178 9.9412 9.9412 9.9412 9.9412 k = 0.0111 0.0064 0.0045 ( 1917 PWs) bands (ev): -6.3397 -6.3397 -1.5172 -1.5162 -1.5162 -1.5154 -1.2834 -1.2834 -1.0692 -1.0682 -1.0682 -1.0671 4.9050 4.9050 5.7825 5.7825 5.7986 5.7993 6.8373 6.8373 9.8197 9.8197 9.9413 9.9413 9.9432 9.9441 k = 0.0222 0.0128 0.0091 ( 1917 PWs) bands (ev): -6.3370 -6.3370 -1.5180 -1.5160 -1.5160 -1.5144 -1.2831 -1.2831 -1.0701 -1.0683 -1.0683 -1.0660 4.8881 4.8881 5.7327 5.7327 5.7934 5.7948 6.8885 6.8885 9.8254 9.8254 9.9422 9.9422 9.9502 9.9520 k = 0.0333 0.0192 0.0136 ( 1917 PWs) bands (ev): -6.3326 -6.3326 -1.5187 -1.5155 -1.5155 -1.5133 -1.2827 -1.2827 -1.0710 -1.0685 -1.0685 -1.0648 4.8587 4.8587 5.6616 5.6616 5.7851 5.7872 6.9628 6.9628 9.8345 9.8345 9.9444 9.9444 9.9621 9.9648 k = 0.0444 0.0257 0.0181 ( 1923 PWs) bands (ev): -6.3265 -6.3265 -1.5193 -1.5150 -1.5150 -1.5121 -1.2822 -1.2822 -1.0717 -1.0688 -1.0688 -1.0635 4.8152 4.8152 5.5799 5.5799 5.7738 5.7765 7.0506 7.0506 9.8471 9.8471 9.9492 9.9492 9.9787 9.9822 k = 0.0556 0.0321 0.0227 ( 1926 PWs) bands (ev): -6.3186 -6.3186 -1.5198 -1.5142 -1.5142 -1.5109 -1.2814 -1.2814 -1.0724 -1.0691 -1.0691 -1.0622 4.7559 4.7559 5.4967 5.4967 5.7595 5.7628 7.1445 7.1445 9.8630 9.8630 9.9577 9.9577 9.9998 10.0041 k = 0.0667 0.0385 0.0272 ( 1938 PWs) bands (ev): -6.3090 -6.3090 -1.5203 -1.5132 -1.5132 -1.5098 -1.2805 -1.2805 -1.0731 -1.0695 -1.0695 -1.0609 4.6794 4.6794 5.4178 5.4178 5.7424 5.7464 7.2392 7.2392 9.8825 9.8825 9.9711 9.9711 10.0250 10.0302 k = 0.0778 0.0449 0.0318 ( 1938 PWs) bands (ev): -6.2977 -6.2977 -1.5207 -1.5121 -1.5120 -1.5085 -1.2794 -1.2794 -1.0735 -1.0699 -1.0699 -1.0595 4.5858 4.5858 5.3467 5.3467 5.7228 5.7273 7.3306 7.3306 9.9064 9.9064 9.9900 9.9900 10.0540 10.0600 k = 0.0889 0.0513 0.0363 ( 1931 PWs) bands (ev): -6.2848 -6.2848 -1.5209 -1.5106 -1.5106 -1.5071 -1.2782 -1.2782 -1.0738 -1.0703 -1.0703 -1.0579 4.4764 4.4764 5.2841 5.2841 5.7008 5.7059 7.4159 7.4159 9.9363 9.9363 10.0142 10.0142 10.0864 10.0932 k = 0.1000 0.0577 0.0408 ( 1925 PWs) bands (ev): -6.2702 -6.2702 -1.5211 -1.5090 -1.5090 -1.5058 -1.2767 -1.2767 -1.0740 -1.0708 -1.0708 -1.0564 4.3539 4.3539 5.2291 5.2291 5.6767 5.6822 7.4931 7.4931 9.9738 9.9738 10.0434 10.0434 10.1218 10.1293 k = 0.1111 0.0642 0.0454 ( 1940 PWs) bands (ev): -6.2541 -6.2541 -1.5213 -1.5073 -1.5073 -1.5045 -1.2752 -1.2752 -1.0742 -1.0714 -1.0714 -1.0549 4.2211 4.2211 5.1801 5.1801 5.6506 5.6566 7.5604 7.5604 10.0203 10.0203 10.0769 10.0769 10.1597 10.1679 k = 0.1222 0.0706 0.0499 ( 1934 PWs) bands (ev): -6.2364 -6.2364 -1.5212 -1.5052 -1.5052 -1.5031 -1.2734 -1.2734 -1.0742 -1.0719 -1.0719 -1.0532 4.0808 4.0808 5.1356 5.1356 5.6228 5.6292 7.6170 7.6170 10.0756 10.0756 10.1155 10.1155 10.1994 10.2083 k = 0.1333 0.0770 0.0544 ( 1934 PWs) bands (ev): -6.2172 -6.2172 -1.5211 -1.5029 -1.5029 -1.5017 -1.2714 -1.2714 -1.0741 -1.0725 -1.0725 -1.0516 3.9350 3.9350 5.0941 5.0941 5.5935 5.6003 7.6625 7.6625 10.1326 10.1326 10.1663 10.1663 10.2405 10.2501 k = 0.1444 0.0834 0.0590 ( 1934 PWs) bands (ev): -6.1966 -6.1966 -1.5210 -1.5004 -1.5004 -1.5003 -1.2692 -1.2692 -1.0738 -1.0730 -1.0730 -1.0500 3.7854 3.7854 5.0548 5.0548 5.5630 5.5702 7.6971 7.6971 10.1792 10.1792 10.2408 10.2408 10.2824 10.2926 k = 0.1556 0.0898 0.0635 ( 1934 PWs) bands (ev): -6.1746 -6.1746 -1.5208 -1.4990 -1.4975 -1.4975 -1.2669 -1.2669 -1.0736 -1.0736 -1.0734 -1.0483 3.6335 3.6335 5.0169 5.0169 5.5315 5.5390 7.7212 7.7212 10.2211 10.2211 10.3244 10.3323 10.3323 10.3351 k = 0.1667 0.0962 0.0680 ( 1931 PWs) bands (ev): -6.1513 -6.1513 -1.5204 -1.4977 -1.4944 -1.4944 -1.2643 -1.2643 -1.0741 -1.0741 -1.0729 -1.0467 3.4800 3.4800 4.9802 4.9802 5.4992 5.5069 7.7358 7.7358 10.2618 10.2618 10.3660 10.3772 10.4360 10.4360 k = 0.1778 0.1026 0.0726 ( 1931 PWs) bands (ev): -6.1268 -6.1268 -1.5201 -1.4964 -1.4909 -1.4909 -1.2616 -1.2616 -1.0746 -1.0746 -1.0723 -1.0450 3.3260 3.3260 4.9442 4.9442 5.4663 5.4742 7.7421 7.7421 10.3016 10.3016 10.4064 10.4181 10.5501 10.5501 k = 0.1889 0.1091 0.0771 ( 1937 PWs) bands (ev): -6.1011 -6.1011 -1.5197 -1.4952 -1.4872 -1.4872 -1.2587 -1.2587 -1.0750 -1.0750 -1.0716 -1.0434 3.1719 3.1719 4.9089 4.9089 5.4330 5.4411 7.7412 7.7412 10.3401 10.3401 10.4453 10.4573 10.6733 10.6733 k = 0.2000 0.1155 0.0816 ( 1937 PWs) bands (ev): -6.0743 -6.0743 -1.5191 -1.4941 -1.4831 -1.4831 -1.2557 -1.2557 -1.0753 -1.0753 -1.0707 -1.0418 3.0183 3.0183 4.8741 4.8741 5.3995 5.4078 7.7344 7.7344 10.3767 10.3767 10.4819 10.4942 10.8045 10.8045 k = 0.2111 0.1219 0.0862 ( 1937 PWs) bands (ev): -6.0466 -6.0466 -1.5186 -1.4930 -1.4786 -1.4786 -1.2525 -1.2525 -1.0754 -1.0754 -1.0697 -1.0401 2.8656 2.8656 4.8399 4.8399 5.3660 5.3743 7.7226 7.7226 10.4112 10.4112 10.5159 10.5284 10.9424 10.9424 k = 0.2222 0.1283 0.0907 ( 1943 PWs) bands (ev): -6.0180 -6.0180 -1.5180 -1.4920 -1.4738 -1.4738 -1.2491 -1.2491 -1.0754 -1.0754 -1.0686 -1.0385 2.7143 2.7143 4.8063 4.8063 5.3326 5.3410 7.7069 7.7069 10.4430 10.4430 10.5467 10.5593 11.0862 11.0862 k = 0.2333 0.1347 0.0953 ( 1934 PWs) bands (ev): -5.9886 -5.9886 -1.5173 -1.4910 -1.4685 -1.4685 -1.2456 -1.2456 -1.0752 -1.0752 -1.0673 -1.0369 2.5646 2.5646 4.7733 4.7733 5.2996 5.3080 7.6883 7.6883 10.4718 10.4718 10.5742 10.5868 11.2349 11.2349 k = 0.2444 0.1411 0.0998 ( 1934 PWs) bands (ev): -5.9586 -5.9586 -1.5165 -1.4901 -1.4629 -1.4629 -1.2419 -1.2419 -1.0747 -1.0747 -1.0659 -1.0353 2.4169 2.4169 4.7410 4.7410 5.2669 5.2753 7.6674 7.6674 10.4974 10.4974 10.5980 10.6106 11.3875 11.3875 k = 0.2556 0.1475 0.1043 ( 1934 PWs) bands (ev): -5.9280 -5.9280 -1.5158 -1.4894 -1.4569 -1.4569 -1.2381 -1.2381 -1.0739 -1.0739 -1.0644 -1.0338 2.2714 2.2714 4.7094 4.7094 5.2349 5.2432 7.6449 7.6449 10.5196 10.5196 10.6181 10.6305 11.5432 11.5432 k = 0.2667 0.1540 0.1089 ( 1934 PWs) bands (ev): -5.8971 -5.8971 -1.5150 -1.4887 -1.4504 -1.4504 -1.2343 -1.2343 -1.0728 -1.0728 -1.0628 -1.0323 2.1284 2.1284 4.6787 4.6787 5.2035 5.2117 7.6213 7.6213 10.5383 10.5383 10.6345 10.6466 11.7010 11.7010 k = 0.2778 0.1604 0.1134 ( 1934 PWs) bands (ev): -5.8659 -5.8659 -1.5141 -1.4881 -1.4436 -1.4436 -1.2303 -1.2303 -1.0712 -1.0712 -1.0611 -1.0309 1.9882 1.9882 4.6488 4.6488 5.1730 5.1811 7.5972 7.5972 10.5535 10.5535 10.6471 10.6590 11.8600 11.8600 k = 0.2889 0.1668 0.1179 ( 1928 PWs) bands (ev): -5.8346 -5.8346 -1.5133 -1.4876 -1.4363 -1.4363 -1.2263 -1.2263 -1.0691 -1.0691 -1.0593 -1.0295 1.8510 1.8510 4.6199 4.6199 5.1434 5.1513 7.5728 7.5728 10.5655 10.5655 10.6563 10.6678 12.0192 12.0192 k = 0.3000 0.1732 0.1225 ( 1922 PWs) bands (ev): -5.8034 -5.8034 -1.5123 -1.4872 -1.4287 -1.4287 -1.2223 -1.2223 -1.0663 -1.0663 -1.0574 -1.0282 1.7170 1.7170 4.5920 4.5920 5.1148 5.1225 7.5486 7.5486 10.5743 10.5743 10.6623 10.6734 12.1770 12.1770 k = 0.3111 0.1796 0.1270 ( 1928 PWs) bands (ev): -5.7723 -5.7723 -1.5114 -1.4869 -1.4208 -1.4208 -1.2184 -1.2184 -1.0628 -1.0628 -1.0555 -1.0271 1.5865 1.5865 4.5652 4.5652 5.0873 5.0948 7.5247 7.5247 10.5802 10.5802 10.6654 10.6759 12.3318 12.3318 k = 0.3222 0.1860 0.1315 ( 1925 PWs) bands (ev): -5.7417 -5.7417 -1.5104 -1.4867 -1.4127 -1.4127 -1.2145 -1.2145 -1.0584 -1.0584 -1.0535 -1.0260 1.4597 1.4597 4.5396 4.5396 5.0610 5.0682 7.5015 7.5015 10.5835 10.5835 10.6659 10.6759 12.4811 12.4811 k = 0.3333 0.1925 0.1361 ( 1922 PWs) bands (ev): -5.7116 -5.7116 -1.5095 -1.4866 -1.4044 -1.4044 -1.2107 -1.2107 -1.0530 -1.0530 -1.0515 -1.0249 1.3369 1.3369 4.5152 4.5152 5.0360 5.0429 7.4791 7.4791 10.5845 10.5845 10.6642 10.6736 12.6218 12.6218 k = 0.3444 0.1989 0.1406 ( 1925 PWs) bands (ev): -5.6823 -5.6823 -1.5085 -1.4866 -1.3960 -1.3960 -1.2072 -1.2072 -1.0495 -1.0466 -1.0466 -1.0240 1.2184 1.2184 4.4921 4.4921 5.0123 5.0189 7.4576 7.4576 10.5837 10.5837 10.6607 10.6695 12.7495 12.7495 k = 0.3556 0.2053 0.1452 ( 1928 PWs) bands (ev): -5.6539 -5.6539 -1.5075 -1.4867 -1.3875 -1.3875 -1.2039 -1.2039 -1.0474 -1.0388 -1.0388 -1.0232 1.1044 1.1044 4.4704 4.4704 4.9900 4.9962 7.4372 7.4372 10.5812 10.5812 10.6558 10.6640 12.8597 12.8597 k = 0.3667 0.2117 0.1497 ( 1922 PWs) bands (ev): -5.6266 -5.6266 -1.5065 -1.4868 -1.3792 -1.3792 -1.2008 -1.2008 -1.0453 -1.0298 -1.0298 -1.0225 0.9953 0.9953 4.4501 4.4501 4.9692 4.9750 7.4180 7.4180 10.5775 10.5775 10.6498 10.6574 12.9482 12.9482 k = 0.3778 0.2181 0.1542 ( 1922 PWs) bands (ev): -5.6007 -5.6007 -1.5054 -1.4871 -1.3711 -1.3711 -1.1981 -1.1981 -1.0432 -1.0219 -1.0195 -1.0195 0.8915 0.8915 4.4312 4.4312 4.9498 4.9553 7.4001 7.4001 10.5729 10.5729 10.6430 10.6500 13.0134 13.0134 k = 0.3889 0.2245 0.1588 ( 1925 PWs) bands (ev): -5.5762 -5.5762 -1.5044 -1.4875 -1.3633 -1.3633 -1.1957 -1.1957 -1.0412 -1.0215 -1.0078 -1.0078 0.7932 0.7932 4.4138 4.4138 4.9321 4.9371 7.3836 7.3836 10.5677 10.5677 10.6359 10.6422 13.0572 13.0572 k = 0.4000 0.2309 0.1633 ( 1937 PWs) bands (ev): -5.5534 -5.5534 -1.5034 -1.4879 -1.3561 -1.3561 -1.1936 -1.1936 -1.0393 -1.0213 -0.9951 -0.9951 0.7010 0.7010 4.3980 4.3980 4.9159 4.9205 7.3684 7.3684 10.5621 10.5621 10.6286 10.6343 13.0839 13.0839 k = 0.4111 0.2374 0.1678 ( 1937 PWs) bands (ev): -5.5325 -5.5325 -1.5023 -1.4884 -1.3493 -1.3493 -1.1919 -1.1919 -1.0374 -1.0211 -0.9813 -0.9813 0.6155 0.6155 4.3837 4.3837 4.9014 4.9055 7.3548 7.3548 10.5564 10.5564 10.6215 10.6265 13.0984 13.0984 k = 0.4222 0.2438 0.1724 ( 1931 PWs) bands (ev): -5.5135 -5.5135 -1.5013 -1.4889 -1.3431 -1.3431 -1.1904 -1.1904 -1.0355 -1.0211 -0.9668 -0.9668 0.5371 0.5371 4.3710 4.3710 4.8885 4.8922 7.3427 7.3427 10.5509 10.5509 10.6147 10.6191 13.1048 13.1048 k = 0.4333 0.2502 0.1769 ( 1925 PWs) bands (ev): -5.4968 -5.4968 -1.5002 -1.4895 -1.3376 -1.3376 -1.1892 -1.1892 -1.0336 -1.0211 -0.9521 -0.9521 0.4666 0.4666 4.3600 4.3600 4.8774 4.8806 7.3321 7.3321 10.5458 10.5458 10.6085 10.6122 13.1063 13.1063 k = 0.4444 0.2566 0.1814 ( 1925 PWs) bands (ev): -5.4823 -5.4823 -1.4992 -1.4902 -1.3329 -1.3329 -1.1883 -1.1883 -1.0319 -1.0214 -0.9378 -0.9378 0.4048 0.4048 4.3506 4.3506 4.8679 4.8706 7.3231 7.3231 10.5411 10.5411 10.6030 10.6061 13.1051 13.1051 k = 0.4556 0.2630 0.1860 ( 1931 PWs) bands (ev): -5.4703 -5.4703 -1.4982 -1.4909 -1.3291 -1.3291 -1.1876 -1.1876 -1.0303 -1.0219 -0.9247 -0.9247 0.3525 0.3525 4.3429 4.3429 4.8602 4.8624 7.3157 7.3157 10.5372 10.5372 10.5983 10.6009 13.1026 13.1026 k = 0.4667 0.2694 0.1905 ( 1931 PWs) bands (ev): -5.4609 -5.4609 -1.4972 -1.4917 -1.3260 -1.3260 -1.1871 -1.1871 -1.0288 -1.0224 -0.9133 -0.9133 0.3105 0.3105 4.3369 4.3369 4.8543 4.8559 7.3100 7.3100 10.5339 10.5339 10.5947 10.5966 13.0998 13.0998 k = 0.4778 0.2758 0.1951 ( 1931 PWs) bands (ev): -5.4541 -5.4541 -1.4962 -1.4926 -1.3238 -1.3238 -1.1867 -1.1867 -1.0274 -1.0231 -0.9044 -0.9044 0.2798 0.2798 4.3326 4.3326 4.8501 4.8512 7.3058 7.3058 10.5316 10.5316 10.5921 10.5934 13.0974 13.0974 k = 0.4889 0.2823 0.1996 ( 1925 PWs) bands (ev): -5.4500 -5.4500 -1.4952 -1.4934 -1.3225 -1.3225 -1.1865 -1.1865 -1.0261 -1.0240 -0.8988 -0.8988 0.2610 0.2610 4.3300 4.3300 4.8477 4.8483 7.3033 7.3033 10.5301 10.5301 10.5907 10.5913 13.0958 13.0958 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -5.4486 -5.4486 -1.4943 -1.4943 -1.3220 -1.3220 -1.1864 -1.1864 -1.0249 -1.0249 -0.8968 -0.8968 0.2547 0.2547 4.3292 4.3292 4.8471 4.8471 7.3025 7.3025 10.5296 10.5296 10.5904 10.5904 13.0953 13.0953 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -5.4486 -5.4486 -1.4943 -1.4943 -1.3220 -1.3220 -1.1864 -1.1864 -1.0249 -1.0249 -0.8968 -0.8968 0.2547 0.2547 4.3292 4.3292 4.8471 4.8471 7.3025 7.3025 10.5296 10.5296 10.5904 10.5904 13.0953 13.0953 k = 0.5039 0.2774 0.2105 ( 1918 PWs) bands (ev): -5.4481 -5.4480 -1.4942 -1.4942 -1.3255 -1.3186 -1.1873 -1.1854 -1.0250 -1.0250 -0.8990 -0.8945 0.2528 0.2584 4.3142 4.3335 4.8403 4.8405 7.3041 7.3219 10.5278 10.5303 10.5902 10.5904 13.0987 13.1075 k = 0.5078 0.2661 0.2169 ( 1922 PWs) bands (ev): -5.4465 -5.4464 -1.4940 -1.4940 -1.3289 -1.3151 -1.1881 -1.1844 -1.0252 -1.0251 -0.9010 -0.8922 0.2528 0.2640 4.2881 4.3271 4.8204 4.8219 7.3263 7.3612 10.5207 10.5263 10.5935 10.5947 13.1170 13.1347 k = 0.5117 0.2548 0.2233 ( 1923 PWs) bands (ev): -5.4438 -5.4437 -1.4936 -1.4935 -1.3323 -1.3116 -1.1888 -1.1833 -1.0254 -1.0254 -0.9028 -0.8897 0.2545 0.2714 4.2505 4.3098 4.7889 4.7934 7.3679 7.4186 10.5030 10.5113 10.6075 10.6097 13.1486 13.1756 k = 0.5156 0.2436 0.2296 ( 1925 PWs) bands (ev): -5.4401 -5.4400 -1.4931 -1.4929 -1.3356 -1.3082 -1.1893 -1.1821 -1.0258 -1.0256 -0.9045 -0.8871 0.2579 0.2806 4.2009 4.2810 4.7484 4.7580 7.4266 7.4914 10.4753 10.4854 10.6337 10.6363 13.1905 13.2273 k = 0.5195 0.2323 0.2360 ( 1929 PWs) bands (ev): -5.4354 -5.4353 -1.4925 -1.4921 -1.3389 -1.3047 -1.1898 -1.1809 -1.0263 -1.0259 -0.9060 -0.8844 0.2629 0.2916 4.1394 4.2400 4.7024 4.7183 7.4994 7.5766 10.4411 10.4520 10.6702 10.6729 13.2390 13.2864 k = 0.5234 0.2210 0.2424 ( 1931 PWs) bands (ev): -5.4297 -5.4295 -1.4917 -1.4911 -1.3421 -1.3013 -1.1900 -1.1797 -1.0269 -1.0263 -0.9073 -0.8815 0.2696 0.3044 4.0665 4.1864 4.6540 4.6765 7.5833 7.6711 10.4034 10.4145 10.7158 10.7186 13.2893 13.3482 k = 0.5273 0.2097 0.2488 ( 1933 PWs) bands (ev): -5.4230 -5.4228 -1.4908 -1.4899 -1.3453 -1.2979 -1.1900 -1.1785 -1.0276 -1.0266 -0.9083 -0.8786 0.2778 0.3190 3.9833 4.1205 4.6055 4.6338 7.6751 7.7719 10.3653 10.3756 10.7697 10.7727 13.3354 13.4067 k = 0.5312 0.1985 0.2552 ( 1933 PWs) bands (ev): -5.4154 -5.4152 -1.4899 -1.4886 -1.3484 -1.2946 -1.1898 -1.1772 -1.0284 -1.0270 -0.9092 -0.8756 0.2873 0.3351 3.8913 4.0435 4.5584 4.5910 7.7718 7.8758 10.3294 10.3379 10.8316 10.8347 13.3709 13.4549 k = 0.5352 0.1872 0.2615 ( 1937 PWs) bands (ev): -5.4069 -5.4067 -1.4889 -1.4870 -1.3514 -1.2913 -1.1894 -1.1761 -1.0292 -1.0273 -0.9098 -0.8725 0.2981 0.3529 3.7921 3.9570 4.5129 4.5484 7.8704 7.9800 10.2984 10.3038 10.9010 10.9041 13.3893 13.4847 k = 0.5391 0.1759 0.2679 ( 1936 PWs) bands (ev): -5.3976 -5.3973 -1.4877 -1.4852 -1.3544 -1.2881 -1.1887 -1.1749 -1.0302 -1.0275 -0.9101 -0.8692 0.3101 0.3721 3.6876 3.8634 4.4690 4.5059 7.9677 8.0812 10.2752 10.2758 10.9776 10.9808 13.3857 13.4890 k = 0.5430 0.1646 0.2743 ( 1940 PWs) bands (ev): -5.3875 -5.3872 -1.4866 -1.4832 -1.3573 -1.2850 -1.1878 -1.1738 -1.0312 -1.0278 -0.9102 -0.8659 0.3231 0.3926 3.5793 3.7646 4.4260 4.4635 8.0609 8.1764 10.2564 10.2625 11.0610 11.0641 13.3581 13.4638 k = 0.5469 0.1534 0.2807 ( 1939 PWs) bands (ev): -5.3766 -5.3763 -1.4854 -1.4810 -1.3601 -1.2820 -1.1866 -1.1728 -1.0322 -1.0279 -0.9101 -0.8624 0.3368 0.4144 3.4686 3.6627 4.3837 4.4211 8.1472 8.2626 10.2477 10.2632 11.1508 11.1539 13.3077 13.4099 k = 0.5508 0.1421 0.2870 ( 1940 PWs) bands (ev): -5.3651 -5.3648 -1.4842 -1.4786 -1.3629 -1.2791 -1.1851 -1.1719 -1.0332 -1.0279 -0.9096 -0.8587 0.3512 0.4373 3.3568 3.5594 4.3418 4.3786 8.2239 8.3370 10.2518 10.2795 11.2468 11.2496 13.2383 13.3320 k = 0.5547 0.1308 0.2934 ( 1936 PWs) bands (ev): -5.3531 -5.3527 -1.4829 -1.4760 -1.3655 -1.2763 -1.1834 -1.1710 -1.0342 -1.0279 -0.9089 -0.8550 0.3659 0.4610 3.2450 3.4559 4.3000 4.3361 8.2889 8.3976 10.2701 10.3130 11.3484 11.3510 13.1547 13.2362 k = 0.5586 0.1195 0.2998 ( 1938 PWs) bands (ev): -5.3405 -5.3402 -1.4817 -1.4732 -1.3681 -1.2737 -1.1814 -1.1703 -1.0353 -1.0277 -0.9078 -0.8510 0.3808 0.4854 3.1342 3.3535 4.2584 4.2936 8.3408 8.4432 10.3031 10.3643 11.4553 11.4575 13.0617 13.1283 k = 0.5625 0.1083 0.3062 ( 1938 PWs) bands (ev): -5.3275 -5.3272 -1.4805 -1.4703 -1.3706 -1.2712 -1.1791 -1.1696 -1.0364 -1.0275 -0.9064 -0.8469 0.3956 0.5101 3.0253 3.2533 4.2169 4.2512 8.3789 8.4737 10.3500 10.4327 11.5671 11.5686 12.9637 13.0136 k = 0.5664 0.0970 0.3126 ( 1936 PWs) bands (ev): -5.3142 -5.3139 -1.4794 -1.4671 -1.3730 -1.2688 -1.1766 -1.1691 -1.0374 -1.0271 -0.9046 -0.8427 0.4099 0.5349 2.9191 3.1562 4.1755 4.2091 8.4037 8.4903 10.4090 10.5157 11.6834 11.6839 12.8648 12.8965 k = 0.5703 0.0857 0.3189 ( 1936 PWs) bands (ev): -5.3007 -5.3003 -1.4782 -1.4638 -1.3753 -1.2666 -1.1738 -1.1687 -1.0385 -1.0266 -0.9025 -0.8382 0.4236 0.5595 2.8167 3.0632 4.1345 4.1673 8.4163 8.4946 10.4767 10.6098 11.8026 11.8037 12.7691 12.7813 k = 0.5742 0.0744 0.3253 ( 1936 PWs) bands (ev): -5.2871 -5.2867 -1.4772 -1.4604 -1.3776 -1.2645 -1.1709 -1.1684 -1.0395 -1.0261 -0.9000 -0.8336 0.4361 0.5835 2.7187 2.9750 4.0939 4.1260 8.4185 8.4888 10.5485 10.7103 11.9237 11.9276 12.6727 12.6809 k = 0.5781 0.0631 0.3317 ( 1940 PWs) bands (ev): -5.2734 -5.2731 -1.4763 -1.4569 -1.3798 -1.2625 -1.1683 -1.1679 -1.0405 -1.0255 -0.8971 -0.8288 0.4474 0.6063 2.6261 2.8925 4.0539 4.0854 8.4119 8.4751 10.6189 10.8111 12.0458 12.0544 12.5769 12.6049 k = 0.5820 0.0519 0.3381 ( 1944 PWs) bands (ev): -5.2599 -5.2595 -1.4754 -1.4532 -1.3819 -1.2607 -1.1683 -1.1648 -1.0415 -1.0248 -0.8938 -0.8239 0.4569 0.6275 2.5396 2.8162 4.0145 4.0456 8.3986 8.4553 10.6815 10.9043 12.1651 12.1836 12.5035 12.5464 k = 0.5859 0.0406 0.3445 ( 1934 PWs) bands (ev): -5.2466 -5.2462 -1.4746 -1.4494 -1.3839 -1.2590 -1.1683 -1.1616 -1.0425 -1.0240 -0.8900 -0.8188 0.4644 0.6466 2.4603 2.7470 3.9761 4.0067 8.3802 8.4313 10.7295 10.9804 12.2699 12.3146 12.4721 12.5108 k = 0.5898 0.0293 0.3508 ( 1932 PWs) bands (ev): -5.2336 -5.2332 -1.4739 -1.4456 -1.3859 -1.2574 -1.1685 -1.1583 -1.0436 -1.0232 -0.8860 -0.8137 0.4698 0.6630 2.3890 2.6853 3.9386 3.9690 8.3582 8.4044 10.7569 11.0290 12.3355 12.4459 12.5033 12.5158 k = 0.5938 0.0180 0.3572 ( 1924 PWs) bands (ev): -5.2211 -5.2207 -1.4732 -1.4417 -1.3878 -1.2559 -1.1688 -1.1551 -1.0446 -1.0224 -0.8816 -0.8085 0.4728 0.6763 2.3265 2.6317 3.9023 3.9325 8.3337 8.3758 10.7599 11.0425 12.3838 12.5222 12.5810 12.6187 k = 0.5977 0.0068 0.3636 ( 1923 PWs) bands (ev): -5.2092 -5.2088 -1.4727 -1.4379 -1.3896 -1.2547 -1.1692 -1.1520 -1.0458 -1.0216 -0.8770 -0.8034 0.4734 0.6858 2.2737 2.5866 3.8672 3.8974 8.3079 8.3464 10.7378 11.0195 12.4556 12.5732 12.7124 12.7391 k = 0.6016-0.0045 0.3700 ( 1919 PWs) bands (ev): -5.1980 -5.1976 -1.4723 -1.4340 -1.3914 -1.2535 -1.1696 -1.1489 -1.0470 -1.0209 -0.8723 -0.7985 0.4718 0.6915 2.2311 2.5503 3.8336 3.8638 8.2814 8.3169 10.6928 10.9652 12.5575 12.6481 12.8429 12.8628 k = 0.6055-0.0158 0.3764 ( 1920 PWs) bands (ev): -5.1876 -5.1873 -1.4721 -1.4303 -1.3931 -1.2526 -1.1702 -1.1460 -1.0484 -1.0202 -0.8676 -0.7939 0.4681 0.6932 2.1991 2.5228 3.8015 3.8318 8.2550 8.2879 10.6290 10.8877 12.6834 12.7407 12.9711 12.9853 k = 0.6094-0.0271 0.3827 ( 1918 PWs) bands (ev): -5.1783 -5.1779 -1.4719 -1.4267 -1.3947 -1.2519 -1.1707 -1.1432 -1.0499 -1.0195 -0.8630 -0.7897 0.4628 0.6911 2.1780 2.5042 3.7711 3.8016 8.2291 8.2599 10.5509 10.7945 12.8246 12.8430 13.0958 13.1039 k = 0.6133-0.0383 0.3891 ( 1920 PWs) bands (ev): -5.1700 -5.1697 -1.4719 -1.4232 -1.3963 -1.2514 -1.1714 -1.1406 -1.0515 -1.0190 -0.8588 -0.7861 0.4565 0.6858 2.1674 2.4941 3.7424 3.7734 8.2042 8.2332 10.4623 10.6913 12.9462 12.9720 13.2155 13.2166 k = 0.6172-0.0496 0.3955 ( 1918 PWs) bands (ev): -5.1630 -5.1627 -1.4719 -1.4201 -1.3977 -1.2511 -1.1721 -1.1381 -1.0532 -1.0186 -0.8551 -0.7833 0.4499 0.6780 2.1670 2.4923 3.7157 3.7471 8.1806 8.2081 10.3666 10.5820 13.0412 13.1150 13.3210 13.3274 k = 0.6211-0.0609 0.4019 ( 1922 PWs) bands (ev): -5.1574 -5.1570 -1.4721 -1.4174 -1.3989 -1.2511 -1.1728 -1.1359 -1.0552 -1.0183 -0.8522 -0.7816 0.4437 0.6688 2.1761 2.4984 3.6909 3.7229 8.1585 8.1848 10.2662 10.4693 13.1196 13.2392 13.4130 13.4272 k = 0.6250-0.0722 0.4082 ( 1926 PWs) bands (ev): -5.1532 -5.1529 -1.4723 -1.4152 -1.3997 -1.2514 -1.1736 -1.1339 -1.0573 -1.0182 -0.8504 -0.7810 0.4388 0.6592 2.1939 2.5118 3.6683 3.7009 8.1382 8.1635 10.1631 10.3553 13.1757 13.3268 13.4878 13.5103 k = 0.6250-0.0722 0.4082 ( 1926 PWs) bands (ev): -5.1532 -5.1529 -1.4723 -1.4152 -1.3997 -1.2514 -1.1736 -1.1339 -1.0573 -1.0182 -0.8504 -0.7810 0.4388 0.6592 2.1939 2.5118 3.6683 3.7009 8.1382 8.1635 10.1631 10.3553 13.1757 13.3268 13.4878 13.5103 k = 0.6184-0.0684 0.4190 ( 1922 PWs) bands (ev): -5.1530 -5.1527 -1.4722 -1.4152 -1.3997 -1.2513 -1.1735 -1.1336 -1.0573 -1.0182 -0.8502 -0.7808 0.4390 0.6595 2.1947 2.5128 3.6614 3.6973 8.1457 8.1750 10.1636 10.3560 13.1590 13.3076 13.4515 13.4740 k = 0.6118-0.0646 0.4297 ( 1916 PWs) bands (ev): -5.1525 -5.1522 -1.4718 -1.4153 -1.3998 -1.2513 -1.1734 -1.1330 -1.0574 -1.0184 -0.8499 -0.7804 0.4394 0.6602 2.1971 2.5159 3.6417 3.6858 8.1693 8.2080 10.1651 10.3578 13.1085 13.2528 13.3646 13.3913 k = 0.6053-0.0608 0.4405 ( 1920 PWs) bands (ev): -5.1516 -5.1513 -1.4713 -1.4155 -1.3999 -1.2513 -1.1734 -1.1321 -1.0576 -1.0187 -0.8494 -0.7796 0.4400 0.6613 2.2011 2.5210 3.6111 3.6656 8.2100 8.2604 10.1676 10.3610 13.0252 13.1726 13.2443 13.3026 k = 0.5987-0.0570 0.4512 ( 1921 PWs) bands (ev): -5.1505 -5.1501 -1.4705 -1.4158 -1.4001 -1.2512 -1.1734 -1.1307 -1.0579 -1.0191 -0.8487 -0.7786 0.4408 0.6628 2.2066 2.5283 3.5712 3.6369 8.2677 8.3307 10.1710 10.3652 12.9161 13.0736 13.1152 13.2082 k = 0.5921-0.0532 0.4620 ( 1921 PWs) bands (ev): -5.1490 -5.1487 -1.4694 -1.4162 -1.4003 -1.2511 -1.1734 -1.1289 -1.0582 -1.0195 -0.8477 -0.7773 0.4418 0.6647 2.2136 2.5375 3.5236 3.6003 8.3416 8.4173 10.1752 10.3706 12.7916 12.9455 13.0011 13.1049 k = 0.5855-0.0494 0.4727 ( 1921 PWs) bands (ev): -5.1472 -5.1469 -1.4682 -1.4167 -1.4005 -1.2509 -1.1735 -1.1268 -1.0586 -1.0201 -0.8466 -0.7757 0.4430 0.6669 2.2219 2.5487 3.4697 3.5567 8.4305 8.5189 10.1802 10.3769 12.6598 12.8020 12.8934 12.9932 k = 0.5789-0.0456 0.4835 ( 1925 PWs) bands (ev): -5.1453 -5.1449 -1.4668 -1.4173 -1.4007 -1.2507 -1.1738 -1.1243 -1.0590 -1.0208 -0.8453 -0.7739 0.4442 0.6694 2.2315 2.5619 3.4110 3.5075 8.5329 8.6341 10.1860 10.3840 12.5250 12.6554 12.7830 12.8752 k = 0.5724-0.0418 0.4942 ( 1919 PWs) bands (ev): -5.1431 -5.1427 -1.4652 -1.4180 -1.4008 -1.2503 -1.1741 -1.1215 -1.0595 -1.0215 -0.8439 -0.7719 0.4454 0.6721 2.2421 2.5770 3.3491 3.4539 8.6472 8.7616 10.1923 10.3918 12.3898 12.5089 12.6697 12.7530 k = 0.5658-0.0380 0.5049 ( 1923 PWs) bands (ev): -5.1407 -5.1404 -1.4635 -1.4189 -1.4010 -1.2498 -1.1746 -1.1185 -1.0600 -1.0222 -0.8423 -0.7697 0.4465 0.6749 2.2537 2.5940 3.2854 3.3972 8.7716 8.8998 10.1992 10.3999 12.2558 12.3640 12.5549 12.6285 k = 0.5592-0.0342 0.5157 ( 1923 PWs) bands (ev): -5.1383 -5.1380 -1.4617 -1.4198 -1.4011 -1.2493 -1.1751 -1.1153 -1.0606 -1.0230 -0.8406 -0.7674 0.4475 0.6778 2.2659 2.6128 3.2215 3.3387 8.9041 9.0473 10.2065 10.4080 12.1241 12.2215 12.4399 12.5035 k = 0.5526-0.0304 0.5264 ( 1923 PWs) bands (ev): -5.1358 -5.1355 -1.4598 -1.4210 -1.4012 -1.2486 -1.1758 -1.1121 -1.0611 -1.0238 -0.8388 -0.7649 0.4484 0.6806 2.2785 2.6333 3.1587 3.2797 9.0425 9.2025 10.2145 10.4158 11.9959 12.0824 12.3264 12.3796 k = 0.5461-0.0266 0.5372 ( 1921 PWs) bands (ev): -5.1333 -5.1330 -1.4579 -1.4221 -1.4013 -1.2478 -1.1765 -1.1090 -1.0616 -1.0246 -0.8370 -0.7625 0.4489 0.6832 2.2910 2.6553 3.0985 3.2214 9.1838 9.3636 10.2232 10.4227 11.8721 11.9478 12.2159 12.2584 k = 0.5395-0.0228 0.5479 ( 1919 PWs) bands (ev): -5.1309 -5.1306 -1.4559 -1.4234 -1.4013 -1.2470 -1.1772 -1.1059 -1.0621 -1.0253 -0.8352 -0.7600 0.4493 0.6857 2.3030 2.6788 3.0423 3.1649 9.3246 9.5285 10.2334 10.4283 11.7540 11.8190 12.1098 12.1417 k = 0.5329-0.0190 0.5587 ( 1927 PWs) bands (ev): -5.1287 -5.1284 -1.4540 -1.4247 -1.4014 -1.2463 -1.1780 -1.1032 -1.0625 -1.0261 -0.8335 -0.7577 0.4493 0.6878 2.3140 2.7034 2.9916 3.1112 9.4599 9.6942 10.2460 10.4319 11.6431 11.6982 12.0099 12.0314 k = 0.5263-0.0152 0.5694 ( 1925 PWs) bands (ev): -5.1267 -5.1264 -1.4523 -1.4260 -1.4014 -1.2455 -1.1786 -1.1009 -1.0628 -1.0267 -0.8318 -0.7556 0.4491 0.6895 2.3235 2.7287 2.9478 3.0616 9.5830 9.8564 10.2628 10.4331 11.5411 11.5890 11.9177 11.9301 k = 0.5197-0.0114 0.5801 ( 1919 PWs) bands (ev): -5.1250 -5.1246 -1.4507 -1.4271 -1.4013 -1.2448 -1.1792 -1.0989 -1.0629 -1.0272 -0.8304 -0.7537 0.4487 0.6907 2.3308 2.7538 2.9122 3.0175 9.6857 10.0078 10.2857 10.4317 11.4507 11.4972 11.8348 11.8416 k = 0.5132-0.0076 0.5909 ( 1915 PWs) bands (ev): -5.1237 -5.1233 -1.4494 -1.4280 -1.4013 -1.2443 -1.1796 -1.0976 -1.0630 -1.0276 -0.8292 -0.7522 0.4481 0.6916 2.3357 2.7767 2.8862 2.9808 9.7600 10.1354 10.3145 10.4291 11.3770 11.4293 11.7635 11.7709 k = 0.5066-0.0038 0.6016 ( 1912 PWs) bands (ev): -5.1228 -5.1225 -1.4486 -1.4286 -1.4013 -1.2439 -1.1798 -1.0968 -1.0629 -1.0278 -0.8284 -0.7512 0.4477 0.6920 2.3383 2.7936 2.8713 2.9549 9.8024 10.2182 10.3446 10.4288 11.3290 11.3905 11.7129 11.7205 k = 0.5000-0.0000 0.6124 ( 1912 PWs) bands (ev): -5.1225 -5.1222 -1.4483 -1.4288 -1.4013 -1.2438 -1.1799 -1.0965 -1.0629 -1.0279 -0.8282 -0.7509 0.4474 0.6921 2.3390 2.7994 2.8672 2.9452 9.8152 10.2431 10.3595 10.4317 11.3136 11.3795 11.6944 11.6990 k = 0.5000-0.0000 0.6124 ( 1912 PWs) bands (ev): -5.1225 -5.1222 -1.4483 -1.4288 -1.4013 -1.2438 -1.1799 -1.0965 -1.0629 -1.0279 -0.8282 -0.7509 0.4474 0.6921 2.3390 2.7994 2.8672 2.9452 9.8152 10.2431 10.3595 10.4317 11.3136 11.3795 11.6944 11.6990 k = 0.5000 0.0078 0.6013 ( 1912 PWs) bands (ev): -5.1232 -5.1228 -1.4484 -1.4290 -1.4012 -1.2439 -1.1799 -1.0970 -1.0625 -1.0279 -0.8287 -0.7513 0.4482 0.6929 2.3355 2.7883 2.8723 2.9628 9.8069 10.2237 10.3597 10.4508 11.3014 11.3630 11.7127 11.7283 k = 0.5000 0.0156 0.5903 ( 1916 PWs) bands (ev): -5.1251 -5.1248 -1.4486 -1.4297 -1.4008 -1.2441 -1.1798 -1.0985 -1.0616 -1.0280 -0.8301 -0.7528 0.4505 0.6952 2.3261 2.7625 2.8917 3.0034 9.7832 10.1763 10.3674 10.4874 11.2739 11.3262 11.7684 11.7950 k = 0.5000 0.0234 0.5793 ( 1922 PWs) bands (ev): -5.1283 -5.1280 -1.4490 -1.4307 -1.4002 -1.2445 -1.1797 -1.1008 -1.0602 -1.0281 -0.8324 -0.7552 0.4540 0.6988 2.3130 2.7332 2.9247 3.0542 9.7476 10.1166 10.3803 10.5203 11.2471 11.2885 11.8475 11.8821 k = 0.5000 0.0312 0.5682 ( 1924 PWs) bands (ev): -5.1328 -5.1324 -1.4496 -1.4321 -1.3995 -1.2449 -1.1796 -1.1036 -1.0585 -1.0281 -0.8356 -0.7584 0.4586 0.7032 2.2988 2.7060 2.9681 3.1106 9.7034 10.0519 10.3910 10.5393 11.2314 11.2636 11.9408 11.9810 k = 0.5000 0.0390 0.5572 ( 1926 PWs) bands (ev): -5.1385 -5.1381 -1.4503 -1.4338 -1.3985 -1.2456 -1.1794 -1.1070 -1.0566 -1.0282 -0.8395 -0.7623 0.4640 0.7079 2.2862 2.6832 3.0193 3.1708 9.6536 9.9853 10.3940 10.5393 11.2280 11.2637 12.0431 12.0880 k = 0.5000 0.0468 0.5462 ( 1926 PWs) bands (ev): -5.1453 -5.1449 -1.4512 -1.4357 -1.3974 -1.2463 -1.1791 -1.1107 -1.0547 -1.0283 -0.8439 -0.7668 0.4696 0.7122 2.2773 2.6661 3.0763 3.2336 9.6003 9.9177 10.3860 10.5204 11.2373 11.2923 12.1522 12.2008 k = 0.5000 0.0546 0.5351 ( 1922 PWs) bands (ev): -5.1532 -5.1528 -1.4522 -1.4378 -1.3962 -1.2472 -1.1788 -1.1147 -1.0528 -1.0284 -0.8488 -0.7719 0.4751 0.7155 2.2739 2.6555 3.1377 3.2986 9.5446 9.8499 10.3667 10.4865 11.2625 11.3426 12.2664 12.3185 k = 0.5000 0.0624 0.5241 ( 1922 PWs) bands (ev): -5.1621 -5.1617 -1.4533 -1.4401 -1.3949 -1.2482 -1.1785 -1.1188 -1.0509 -1.0285 -0.8539 -0.7773 0.4800 0.7171 2.2773 2.6521 3.2024 3.3650 9.4874 9.7818 10.3381 10.4425 11.3029 11.4080 12.3850 12.4402 k = 0.5000 0.0702 0.5131 ( 1920 PWs) bands (ev): -5.1720 -5.1716 -1.4546 -1.4426 -1.3935 -1.2492 -1.1782 -1.1231 -1.0491 -1.0287 -0.8593 -0.7830 0.4839 0.7163 2.2885 2.6562 3.2695 3.4327 9.4292 9.7134 10.3033 10.3931 11.3555 11.4834 12.5073 12.5655 k = 0.5000 0.0780 0.5020 ( 1920 PWs) bands (ev): -5.1827 -5.1823 -1.4560 -1.4451 -1.3921 -1.2505 -1.1779 -1.1275 -1.0475 -1.0288 -0.8647 -0.7889 0.4863 0.7128 2.3083 2.6683 3.3384 3.5011 9.3700 9.6444 10.2652 10.3416 11.4165 11.5649 12.6328 12.6940 k = 0.5000 0.0858 0.4910 ( 1922 PWs) bands (ev): -5.1941 -5.1937 -1.4575 -1.4478 -1.3905 -1.2518 -1.1776 -1.1319 -1.0459 -1.0290 -0.8700 -0.7948 0.4871 0.7062 2.3370 2.6885 3.4084 3.5699 9.3098 9.5745 10.2266 10.2906 11.4826 11.6494 12.7610 12.8252 k = 0.5000 0.0936 0.4800 ( 1924 PWs) bands (ev): -5.2062 -5.2058 -1.4592 -1.4505 -1.3889 -1.2533 -1.1774 -1.1363 -1.0445 -1.0291 -0.8752 -0.8008 0.4860 0.6965 2.3748 2.7170 3.4792 3.6388 9.2483 9.5033 10.1896 10.2417 11.5503 11.7341 12.8916 12.9590 k = 0.5000 0.1014 0.4689 ( 1928 PWs) bands (ev): -5.2189 -5.2185 -1.4609 -1.4533 -1.3872 -1.2548 -1.1772 -1.1406 -1.0432 -1.0293 -0.8801 -0.8066 0.4828 0.6837 2.4216 2.7537 3.5503 3.7074 9.1853 9.4304 10.1555 10.1965 11.6163 11.8156 13.0239 13.0948 k = 0.5000 0.1092 0.4579 ( 1926 PWs) bands (ev): -5.2320 -5.2316 -1.4627 -1.4560 -1.3854 -1.2564 -1.1772 -1.1448 -1.0419 -1.0294 -0.8847 -0.8124 0.4775 0.6680 2.4770 2.7985 3.6214 3.7755 9.1204 9.3554 10.1257 10.1560 11.6765 11.8898 13.1568 13.2317 k = 0.5000 0.1170 0.4469 ( 1920 PWs) bands (ev): -5.2454 -5.2450 -1.4645 -1.4588 -1.3835 -1.2582 -1.1772 -1.1488 -1.0407 -1.0295 -0.8889 -0.8179 0.4703 0.6497 2.5407 2.8511 3.6920 3.8428 9.0532 9.2779 10.1009 10.1209 11.7263 11.9509 13.2855 13.3624 k = 0.5000 0.1248 0.4358 ( 1924 PWs) bands (ev): -5.2591 -5.2587 -1.4665 -1.4615 -1.3815 -1.2600 -1.1774 -1.1526 -1.0397 -1.0296 -0.8928 -0.8233 0.4612 0.6293 2.6120 2.9111 3.7619 3.9089 8.9832 9.1978 10.0814 10.0922 11.7602 11.9910 13.2901 13.3635 k = 0.5000 0.1326 0.4248 ( 1924 PWs) bands (ev): -5.2729 -5.2726 -1.4685 -1.4642 -1.3795 -1.2620 -1.1779 -1.1560 -1.0386 -1.0297 -0.8963 -0.8284 0.4504 0.6072 2.6902 2.9782 3.8309 3.9737 8.9100 9.1147 10.0665 10.0715 11.7722 12.0009 13.1990 13.2969 k = 0.5000 0.1404 0.4138 ( 1918 PWs) bands (ev): -5.2868 -5.2864 -1.4704 -1.4668 -1.3773 -1.2640 -1.1785 -1.1592 -1.0376 -1.0298 -0.8993 -0.8333 0.4383 0.5838 2.7748 3.0517 3.8987 4.0369 8.8334 9.0284 10.0529 10.0624 11.7575 11.9741 13.1507 13.2287 k = 0.5000 0.1482 0.4027 ( 1918 PWs) bands (ev): -5.3006 -5.3002 -1.4724 -1.4694 -1.3751 -1.2662 -1.1793 -1.1619 -1.0366 -1.0298 -0.9020 -0.8381 0.4250 0.5595 2.8650 3.1310 3.9650 4.0983 8.7530 8.9387 10.0447 10.0612 11.7147 11.9110 13.1451 13.1918 k = 0.5000 0.1560 0.3917 ( 1924 PWs) bands (ev): -5.3142 -5.3139 -1.4744 -1.4719 -1.3728 -1.2685 -1.1805 -1.1643 -1.0357 -1.0298 -0.9042 -0.8426 0.4108 0.5347 2.9600 3.2155 4.0297 4.1578 8.6687 8.8455 10.0435 10.0663 11.6468 11.8196 13.1736 13.1863 k = 0.5000 0.1638 0.3807 ( 1930 PWs) bands (ev): -5.3276 -5.3272 -1.4763 -1.4743 -1.3705 -1.2710 -1.1818 -1.1663 -1.0348 -1.0298 -0.9061 -0.8469 0.3961 0.5097 3.0592 3.3044 4.0928 4.2151 8.5804 8.7488 10.0492 10.0775 11.5602 11.7106 13.2055 13.2248 k = 0.5000 0.1716 0.3696 ( 1930 PWs) bands (ev): -5.3406 -5.3403 -1.4782 -1.4766 -1.3680 -1.2736 -1.1832 -1.1681 -1.0339 -1.0297 -0.9076 -0.8510 0.3811 0.4849 3.1618 3.3970 4.1539 4.2701 8.4882 8.6485 10.0617 10.0944 11.4621 11.5930 13.2413 13.2878 k = 0.5000 0.1794 0.3586 ( 1934 PWs) bands (ev): -5.3532 -5.3529 -1.4801 -1.4788 -1.3654 -1.2762 -1.1846 -1.1696 -1.0330 -1.0295 -0.9087 -0.8550 0.3660 0.4606 3.2670 3.4923 4.2133 4.3229 8.3923 8.5449 10.0806 10.1169 11.3588 11.4732 13.2855 13.3539 k = 0.5000 0.1872 0.3476 ( 1938 PWs) bands (ev): -5.3653 -5.3650 -1.4819 -1.4809 -1.3628 -1.2791 -1.1859 -1.1710 -1.0322 -1.0292 -0.9095 -0.8588 0.3512 0.4369 3.3738 3.5893 4.2709 4.3735 8.2931 8.4383 10.1057 10.1445 11.2551 11.3555 13.3306 13.4155 k = 0.5000 0.1951 0.3365 ( 1940 PWs) bands (ev): -5.3768 -5.3765 -1.4836 -1.4828 -1.3601 -1.2820 -1.1871 -1.1723 -1.0313 -1.0289 -0.9100 -0.8624 0.3367 0.4141 3.4814 3.6868 4.3268 4.4219 8.1911 8.3290 10.1363 10.1766 11.1544 11.2428 13.3698 13.4655 k = 0.5000 0.2029 0.3255 ( 1938 PWs) bands (ev): -5.3876 -5.3873 -1.4852 -1.4846 -1.3573 -1.2850 -1.1881 -1.1735 -1.0304 -1.0286 -0.9102 -0.8659 0.3229 0.3923 3.5885 3.7834 4.3814 4.4683 8.0871 8.2178 10.1717 10.2128 11.0590 11.1369 13.3973 13.4976 k = 0.5000 0.2107 0.3145 ( 1938 PWs) bands (ev): -5.3977 -5.3974 -1.4867 -1.4863 -1.3544 -1.2881 -1.1889 -1.1747 -1.0296 -1.0282 -0.9101 -0.8692 0.3100 0.3718 3.6940 3.8774 4.4350 4.5130 7.9822 8.1055 10.2113 10.2521 10.9706 11.0390 13.4084 13.5072 k = 0.5000 0.2185 0.3034 ( 1938 PWs) bands (ev): -5.4070 -5.4068 -1.4881 -1.4878 -1.3514 -1.2913 -1.1895 -1.1760 -1.0288 -1.0278 -0.9097 -0.8725 0.2980 0.3526 3.7963 3.9670 4.4880 4.5563 7.8776 7.9932 10.2540 10.2939 10.8902 10.9499 13.4012 13.4932 k = 0.5000 0.2263 0.2924 ( 1936 PWs) bands (ev): -5.4155 -5.4153 -1.4894 -1.4892 -1.3484 -1.2946 -1.1899 -1.1772 -1.0281 -1.0273 -0.9091 -0.8756 0.2872 0.3349 3.8938 4.0501 4.5410 4.5986 7.7749 7.8824 10.2987 10.3369 10.8183 10.8700 13.3763 13.4582 k = 0.5000 0.2341 0.2814 ( 1934 PWs) bands (ev): -5.4231 -5.4229 -1.4905 -1.4904 -1.3453 -1.2979 -1.1900 -1.1785 -1.0274 -1.0269 -0.9083 -0.8786 0.2777 0.3188 3.9848 4.1246 4.5941 4.6402 7.6760 7.7746 10.3442 10.3798 10.7554 10.7995 13.3375 13.4076 k = 0.5000 0.2419 0.2703 ( 1930 PWs) bands (ev): -5.4298 -5.4296 -1.4915 -1.4914 -1.3421 -1.3013 -1.1900 -1.1797 -1.0268 -1.0264 -0.9072 -0.8815 0.2695 0.3043 4.0673 4.1886 4.6471 4.6814 7.5832 7.6719 10.3890 10.4213 10.7017 10.7386 13.2898 13.3481 k = 0.5000 0.2497 0.2593 ( 1926 PWs) bands (ev): -5.4355 -5.4353 -1.4923 -1.4923 -1.3389 -1.3047 -1.1897 -1.1809 -1.0262 -1.0260 -0.9059 -0.8844 0.2629 0.2916 4.1399 4.2410 4.6987 4.7216 7.4990 7.5766 10.4313 10.4593 10.6576 10.6874 13.2390 13.2861 k = 0.5000 0.2575 0.2483 ( 1926 PWs) bands (ev): -5.4402 -5.4400 -1.4930 -1.4930 -1.3356 -1.3082 -1.1894 -1.1821 -1.0258 -1.0257 -0.9045 -0.8871 0.2578 0.2806 4.2012 4.2814 4.7467 4.7599 7.4262 7.4911 10.4689 10.4918 10.6235 10.6462 13.1903 13.2270 k = 0.5000 0.2653 0.2372 ( 1926 PWs) bands (ev): -5.4438 -5.4437 -1.4936 -1.4936 -1.3323 -1.3117 -1.1888 -1.1833 -1.0254 -1.0254 -0.9028 -0.8897 0.2544 0.2714 4.2506 4.3099 4.7882 4.7943 7.3677 7.4184 10.4994 10.5156 10.6008 10.6157 13.1484 13.1754 k = 0.5000 0.2731 0.2262 ( 1920 PWs) bands (ev): -5.4465 -5.4464 -1.4940 -1.4940 -1.3289 -1.3151 -1.1881 -1.1844 -1.0252 -1.0251 -0.9009 -0.8922 0.2528 0.2640 4.2882 4.3271 4.8202 4.8222 7.3263 7.3611 10.5195 10.5278 10.5907 10.5972 13.1169 13.1347 k = 0.5000 0.2809 0.2152 ( 1918 PWs) bands (ev): -5.4481 -5.4480 -1.4942 -1.4942 -1.3254 -1.3186 -1.1873 -1.1855 -1.0250 -1.0250 -0.8990 -0.8945 0.2528 0.2584 4.3142 4.3335 4.8403 4.8406 7.3041 7.3219 10.5277 10.5304 10.5898 10.5908 13.0986 13.1074 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -5.4486 -5.4486 -1.4943 -1.4943 -1.3220 -1.3220 -1.1864 -1.1864 -1.0249 -1.0249 -0.8968 -0.8968 0.2547 0.2547 4.3292 4.3292 4.8471 4.8471 7.3025 7.3025 10.5296 10.5296 10.5904 10.5904 13.0953 13.0953 k = 0.5000 0.2887 0.2041 ( 1916 PWs) bands (ev): -5.4486 -5.4486 -1.4943 -1.4943 -1.3220 -1.3220 -1.1864 -1.1864 -1.0249 -1.0249 -0.8968 -0.8968 0.2547 0.2547 4.3292 4.3292 4.8471 4.8471 7.3025 7.3025 10.5296 10.5296 10.5904 10.5904 13.0953 13.0953 k = 0.4961 0.2864 0.2169 ( 1918 PWs) bands (ev): -5.4481 -5.4480 -1.4942 -1.4942 -1.3255 -1.3186 -1.1873 -1.1854 -1.0250 -1.0250 -0.8990 -0.8945 0.2528 0.2584 4.3142 4.3335 4.8403 4.8405 7.3041 7.3219 10.5278 10.5303 10.5902 10.5904 13.0987 13.1075 k = 0.4922 0.2842 0.2296 ( 1922 PWs) bands (ev): -5.4465 -5.4464 -1.4940 -1.4940 -1.3289 -1.3151 -1.1881 -1.1844 -1.0252 -1.0251 -0.9010 -0.8922 0.2528 0.2640 4.2881 4.3271 4.8204 4.8219 7.3263 7.3612 10.5207 10.5263 10.5935 10.5947 13.1170 13.1347 k = 0.4883 0.2819 0.2424 ( 1923 PWs) bands (ev): -5.4438 -5.4437 -1.4936 -1.4935 -1.3323 -1.3116 -1.1888 -1.1833 -1.0254 -1.0254 -0.9028 -0.8897 0.2545 0.2714 4.2505 4.3098 4.7889 4.7934 7.3679 7.4186 10.5030 10.5113 10.6075 10.6097 13.1486 13.1756 k = 0.4844 0.2797 0.2552 ( 1925 PWs) bands (ev): -5.4401 -5.4400 -1.4931 -1.4929 -1.3356 -1.3082 -1.1893 -1.1821 -1.0258 -1.0256 -0.9045 -0.8871 0.2579 0.2806 4.2009 4.2810 4.7484 4.7580 7.4265 7.4914 10.4753 10.4854 10.6337 10.6363 13.1905 13.2273 k = 0.4805 0.2774 0.2679 ( 1929 PWs) bands (ev): -5.4354 -5.4353 -1.4925 -1.4921 -1.3389 -1.3047 -1.1898 -1.1809 -1.0263 -1.0259 -0.9060 -0.8844 0.2629 0.2916 4.1394 4.2400 4.7024 4.7183 7.4994 7.5766 10.4411 10.4520 10.6702 10.6729 13.2390 13.2864 k = 0.4766 0.2751 0.2807 ( 1931 PWs) bands (ev): -5.4297 -5.4295 -1.4917 -1.4911 -1.3421 -1.3013 -1.1900 -1.1797 -1.0269 -1.0263 -0.9073 -0.8815 0.2696 0.3044 4.0665 4.1864 4.6540 4.6765 7.5833 7.6711 10.4034 10.4145 10.7158 10.7186 13.2893 13.3482 k = 0.4727 0.2729 0.2934 ( 1933 PWs) bands (ev): -5.4230 -5.4228 -1.4908 -1.4899 -1.3453 -1.2979 -1.1900 -1.1785 -1.0276 -1.0266 -0.9083 -0.8786 0.2778 0.3190 3.9833 4.1205 4.6055 4.6338 7.6751 7.7719 10.3653 10.3756 10.7697 10.7727 13.3354 13.4067 k = 0.4688 0.2706 0.3062 ( 1933 PWs) bands (ev): -5.4154 -5.4152 -1.4899 -1.4886 -1.3484 -1.2946 -1.1898 -1.1772 -1.0284 -1.0270 -0.9092 -0.8756 0.2873 0.3351 3.8913 4.0435 4.5584 4.5910 7.7718 7.8758 10.3294 10.3379 10.8316 10.8347 13.3709 13.4549 k = 0.4648 0.2684 0.3189 ( 1937 PWs) bands (ev): -5.4069 -5.4067 -1.4889 -1.4870 -1.3514 -1.2913 -1.1894 -1.1761 -1.0292 -1.0273 -0.9098 -0.8725 0.2981 0.3529 3.7921 3.9570 4.5129 4.5484 7.8703 7.9800 10.2984 10.3038 10.9010 10.9041 13.3893 13.4847 k = 0.4609 0.2661 0.3317 ( 1936 PWs) bands (ev): -5.3976 -5.3973 -1.4877 -1.4852 -1.3544 -1.2881 -1.1887 -1.1749 -1.0302 -1.0275 -0.9101 -0.8692 0.3101 0.3721 3.6876 3.8634 4.4690 4.5059 7.9677 8.0812 10.2752 10.2758 10.9776 10.9808 13.3857 13.4890 k = 0.4570 0.2639 0.3445 ( 1940 PWs) bands (ev): -5.3875 -5.3872 -1.4866 -1.4832 -1.3573 -1.2850 -1.1878 -1.1738 -1.0312 -1.0278 -0.9102 -0.8659 0.3231 0.3926 3.5793 3.7646 4.4260 4.4635 8.0609 8.1764 10.2564 10.2625 11.0610 11.0641 13.3581 13.4638 k = 0.4531 0.2616 0.3572 ( 1939 PWs) bands (ev): -5.3766 -5.3763 -1.4854 -1.4810 -1.3601 -1.2820 -1.1866 -1.1728 -1.0322 -1.0279 -0.9101 -0.8624 0.3368 0.4144 3.4686 3.6627 4.3837 4.4211 8.1472 8.2626 10.2477 10.2632 11.1508 11.1539 13.3077 13.4099 k = 0.4492 0.2594 0.3700 ( 1940 PWs) bands (ev): -5.3651 -5.3648 -1.4842 -1.4786 -1.3629 -1.2791 -1.1851 -1.1719 -1.0332 -1.0279 -0.9096 -0.8587 0.3512 0.4373 3.3568 3.5594 4.3418 4.3786 8.2239 8.3370 10.2518 10.2795 11.2468 11.2496 13.2383 13.3320 k = 0.4453 0.2571 0.3827 ( 1936 PWs) bands (ev): -5.3531 -5.3527 -1.4829 -1.4760 -1.3655 -1.2763 -1.1834 -1.1710 -1.0342 -1.0279 -0.9089 -0.8550 0.3659 0.4610 3.2450 3.4559 4.3000 4.3361 8.2889 8.3976 10.2701 10.3130 11.3484 11.3510 13.1547 13.2362 k = 0.4414 0.2548 0.3955 ( 1938 PWs) bands (ev): -5.3405 -5.3402 -1.4817 -1.4732 -1.3681 -1.2737 -1.1814 -1.1703 -1.0353 -1.0277 -0.9078 -0.8510 0.3808 0.4854 3.1342 3.3535 4.2584 4.2936 8.3408 8.4432 10.3031 10.3643 11.4553 11.4575 13.0617 13.1283 k = 0.4375 0.2526 0.4082 ( 1938 PWs) bands (ev): -5.3275 -5.3272 -1.4805 -1.4703 -1.3706 -1.2712 -1.1791 -1.1696 -1.0364 -1.0275 -0.9064 -0.8469 0.3956 0.5101 3.0253 3.2533 4.2169 4.2512 8.3789 8.4737 10.3500 10.4327 11.5671 11.5686 12.9637 13.0136 k = 0.4336 0.2503 0.4210 ( 1936 PWs) bands (ev): -5.3142 -5.3139 -1.4794 -1.4671 -1.3730 -1.2688 -1.1766 -1.1691 -1.0374 -1.0271 -0.9046 -0.8427 0.4099 0.5349 2.9191 3.1562 4.1755 4.2091 8.4037 8.4903 10.4090 10.5157 11.6834 11.6839 12.8648 12.8965 k = 0.4297 0.2481 0.4338 ( 1936 PWs) bands (ev): -5.3007 -5.3003 -1.4782 -1.4638 -1.3753 -1.2666 -1.1738 -1.1687 -1.0385 -1.0266 -0.9025 -0.8382 0.4236 0.5595 2.8167 3.0632 4.1345 4.1673 8.4163 8.4946 10.4767 10.6098 11.8026 11.8037 12.7691 12.7813 k = 0.4258 0.2458 0.4465 ( 1936 PWs) bands (ev): -5.2871 -5.2867 -1.4772 -1.4604 -1.3776 -1.2645 -1.1709 -1.1684 -1.0395 -1.0261 -0.9000 -0.8336 0.4361 0.5835 2.7187 2.9750 4.0939 4.1260 8.4185 8.4888 10.5485 10.7103 11.9237 11.9276 12.6727 12.6809 k = 0.4219 0.2436 0.4593 ( 1940 PWs) bands (ev): -5.2734 -5.2731 -1.4763 -1.4569 -1.3798 -1.2625 -1.1683 -1.1679 -1.0405 -1.0255 -0.8971 -0.8288 0.4474 0.6063 2.6261 2.8925 4.0539 4.0854 8.4119 8.4751 10.6189 10.8111 12.0458 12.0544 12.5769 12.6049 k = 0.4180 0.2413 0.4720 ( 1944 PWs) bands (ev): -5.2599 -5.2595 -1.4754 -1.4532 -1.3819 -1.2607 -1.1683 -1.1648 -1.0415 -1.0248 -0.8938 -0.8239 0.4569 0.6275 2.5396 2.8162 4.0145 4.0456 8.3986 8.4553 10.6815 10.9043 12.1651 12.1836 12.5035 12.5464 k = 0.4141 0.2391 0.4848 ( 1934 PWs) bands (ev): -5.2466 -5.2462 -1.4746 -1.4494 -1.3839 -1.2590 -1.1683 -1.1616 -1.0425 -1.0240 -0.8900 -0.8188 0.4644 0.6466 2.4603 2.7470 3.9761 4.0067 8.3802 8.4313 10.7295 10.9804 12.2699 12.3146 12.4721 12.5108 k = 0.4102 0.2368 0.4976 ( 1932 PWs) bands (ev): -5.2336 -5.2332 -1.4739 -1.4456 -1.3859 -1.2574 -1.1685 -1.1583 -1.0436 -1.0232 -0.8860 -0.8137 0.4698 0.6630 2.3890 2.6853 3.9386 3.9690 8.3582 8.4044 10.7569 11.0290 12.3355 12.4459 12.5033 12.5158 k = 0.4062 0.2345 0.5103 ( 1924 PWs) bands (ev): -5.2211 -5.2207 -1.4732 -1.4417 -1.3878 -1.2559 -1.1688 -1.1551 -1.0446 -1.0224 -0.8816 -0.8085 0.4728 0.6763 2.3265 2.6317 3.9023 3.9325 8.3337 8.3758 10.7599 11.0425 12.3838 12.5222 12.5810 12.6187 k = 0.4023 0.2323 0.5231 ( 1923 PWs) bands (ev): -5.2092 -5.2088 -1.4727 -1.4379 -1.3896 -1.2547 -1.1692 -1.1520 -1.0458 -1.0216 -0.8770 -0.8034 0.4734 0.6858 2.2737 2.5866 3.8672 3.8974 8.3079 8.3464 10.7378 11.0195 12.4556 12.5732 12.7124 12.7391 k = 0.3984 0.2300 0.5358 ( 1919 PWs) bands (ev): -5.1980 -5.1976 -1.4723 -1.4340 -1.3914 -1.2535 -1.1696 -1.1489 -1.0470 -1.0209 -0.8723 -0.7985 0.4718 0.6915 2.2311 2.5503 3.8336 3.8638 8.2814 8.3169 10.6928 10.9652 12.5575 12.6481 12.8429 12.8628 k = 0.3945 0.2278 0.5486 ( 1920 PWs) bands (ev): -5.1876 -5.1873 -1.4721 -1.4303 -1.3931 -1.2526 -1.1702 -1.1460 -1.0484 -1.0202 -0.8676 -0.7939 0.4681 0.6932 2.1991 2.5228 3.8015 3.8318 8.2550 8.2879 10.6290 10.8877 12.6834 12.7407 12.9711 12.9853 k = 0.3906 0.2255 0.5613 ( 1918 PWs) bands (ev): -5.1783 -5.1779 -1.4719 -1.4267 -1.3947 -1.2519 -1.1707 -1.1432 -1.0499 -1.0195 -0.8630 -0.7897 0.4628 0.6911 2.1780 2.5042 3.7711 3.8016 8.2291 8.2599 10.5509 10.7945 12.8246 12.8430 13.0958 13.1039 k = 0.3867 0.2233 0.5741 ( 1920 PWs) bands (ev): -5.1700 -5.1697 -1.4719 -1.4232 -1.3963 -1.2514 -1.1714 -1.1406 -1.0515 -1.0190 -0.8588 -0.7861 0.4565 0.6858 2.1674 2.4941 3.7424 3.7734 8.2042 8.2332 10.4623 10.6913 12.9462 12.9720 13.2155 13.2166 k = 0.3828 0.2210 0.5869 ( 1918 PWs) bands (ev): -5.1630 -5.1627 -1.4719 -1.4201 -1.3977 -1.2511 -1.1721 -1.1381 -1.0532 -1.0186 -0.8551 -0.7833 0.4499 0.6780 2.1670 2.4923 3.7157 3.7471 8.1806 8.2081 10.3666 10.5820 13.0412 13.1150 13.3210 13.3274 k = 0.3789 0.2188 0.5996 ( 1922 PWs) bands (ev): -5.1574 -5.1570 -1.4721 -1.4174 -1.3989 -1.2511 -1.1728 -1.1359 -1.0552 -1.0183 -0.8522 -0.7816 0.4437 0.6688 2.1761 2.4984 3.6909 3.7229 8.1585 8.1848 10.2662 10.4693 13.1196 13.2392 13.4130 13.4272 k = 0.3750 0.2165 0.6124 ( 1926 PWs) bands (ev): -5.1532 -5.1529 -1.4723 -1.4152 -1.3997 -1.2514 -1.1736 -1.1339 -1.0573 -1.0182 -0.8504 -0.7810 0.4388 0.6592 2.1939 2.5118 3.6683 3.7009 8.1382 8.1635 10.1631 10.3553 13.1757 13.3268 13.4878 13.5103 k = 0.6250-0.0722 0.4082 ( 1926 PWs) bands (ev): -5.1532 -5.1529 -1.4723 -1.4152 -1.3997 -1.2514 -1.1736 -1.1339 -1.0573 -1.0182 -0.8504 -0.7810 0.4388 0.6592 2.1939 2.5118 3.6683 3.7009 8.1382 8.1635 10.1631 10.3553 13.1757 13.3268 13.4878 13.5103 k = 0.6184-0.0836 0.4082 ( 1922 PWs) bands (ev): -5.1479 -5.1475 -1.4728 -1.4130 -1.3999 -1.2522 -1.1748 -1.1307 -1.0611 -1.0180 -0.8486 -0.7817 0.4330 0.6438 2.2339 2.5429 3.6329 3.6667 8.1061 8.1300 9.9859 10.1618 13.2551 13.4365 13.6029 13.6365 k = 0.6118-0.0950 0.4082 ( 1922 PWs) bands (ev): -5.1433 -5.1430 -1.4733 -1.4130 -1.3981 -1.2533 -1.1760 -1.1277 -1.0649 -1.0180 -0.8477 -0.7833 0.4283 0.6285 2.2799 2.5793 3.5992 3.6344 8.0752 8.0978 9.8059 9.9677 13.3437 13.5506 13.7227 13.7648 k = 0.6053-0.1064 0.4082 ( 1930 PWs) bands (ev): -5.1396 -5.1393 -1.4737 -1.4148 -1.3946 -1.2548 -1.1771 -1.1251 -1.0687 -1.0181 -0.8474 -0.7858 0.4246 0.6135 2.3315 2.6205 3.5676 3.6042 8.0454 8.0671 9.6254 9.7747 13.4402 13.6690 13.8454 13.8947 k = 0.5987-0.1177 0.4082 ( 1930 PWs) bands (ev): -5.1365 -5.1362 -1.4741 -1.4175 -1.3902 -1.2564 -1.1781 -1.1230 -1.0721 -1.0183 -0.8476 -0.7891 0.4217 0.5987 2.3877 2.6658 3.5381 3.5761 8.0171 8.0379 9.4462 9.5843 13.5430 13.7914 13.9698 14.0256 k = 0.5921-0.1291 0.4082 ( 1930 PWs) bands (ev): -5.1340 -5.1337 -1.4744 -1.4206 -1.3853 -1.2582 -1.1790 -1.1217 -1.0750 -1.0186 -0.8482 -0.7928 0.4194 0.5842 2.4477 2.7144 3.5109 3.5504 7.9901 8.0102 9.2699 9.3978 13.6510 13.9174 14.0949 14.1572 k = 0.5855-0.1405 0.4082 ( 1930 PWs) bands (ev): -5.1320 -5.1318 -1.4747 -1.4240 -1.3802 -1.2603 -1.1798 -1.1215 -1.0768 -1.0191 -0.8491 -0.7970 0.4177 0.5700 2.5107 2.7654 3.4863 3.5272 7.9646 7.9842 9.0980 9.2163 13.7632 14.0464 14.2199 14.2888 k = 0.5789-0.1519 0.4082 ( 1928 PWs) bands (ev): -5.1305 -5.1303 -1.4748 -1.4275 -1.3749 -1.2625 -1.1804 -1.1226 -1.0775 -1.0197 -0.8501 -0.8016 0.4164 0.5561 2.5755 2.8178 3.4646 3.5068 7.9406 7.9599 8.9319 9.0409 13.8787 14.1778 14.3440 14.4200 k = 0.5724-0.1633 0.4082 ( 1928 PWs) bands (ev): -5.1294 -5.1291 -1.4749 -1.4311 -1.3695 -1.2650 -1.1809 -1.1250 -1.0769 -1.0204 -0.8511 -0.8063 0.4155 0.5427 2.6411 2.8701 3.4462 3.4893 7.9180 7.9373 8.7728 8.8726 13.9965 14.3110 14.4663 14.5500 k = 0.5658-0.1747 0.4082 ( 1934 PWs) bands (ev): -5.1286 -5.1284 -1.4749 -1.4348 -1.3639 -1.2677 -1.1812 -1.1284 -1.0753 -1.0214 -0.8522 -0.8112 0.4151 0.5299 2.7061 2.9210 3.4316 3.4750 7.8970 7.9164 8.6220 8.7126 14.1159 14.4454 14.5858 14.6782 k = 0.5592-0.1861 0.4082 ( 1934 PWs) bands (ev): -5.1280 -5.1278 -1.4747 -1.4384 -1.3583 -1.2707 -1.1813 -1.1325 -1.0730 -1.0226 -0.8530 -0.8160 0.4151 0.5176 2.7693 2.9685 3.4216 3.4641 7.8773 7.8973 8.4809 8.5619 14.2359 14.5801 14.7014 14.8037 k = 0.5526-0.1975 0.4082 ( 1928 PWs) bands (ev): -5.1277 -5.1275 -1.4744 -1.4420 -1.3526 -1.2738 -1.1811 -1.1371 -1.0700 -1.0239 -0.8537 -0.8207 0.4155 0.5059 2.8293 3.0108 3.4168 3.4571 7.8590 7.8798 8.3509 8.4217 14.3557 14.7136 14.8120 14.9253 k = 0.5461-0.2089 0.4082 ( 1928 PWs) bands (ev): -5.1275 -5.1274 -1.4739 -1.4455 -1.3468 -1.2771 -1.1808 -1.1418 -1.0668 -1.0254 -0.8542 -0.8252 0.4164 0.4949 2.8846 3.0462 3.4178 3.4539 7.8417 7.8639 8.2337 8.2934 14.4743 14.8430 14.9174 15.0416 k = 0.5395-0.2203 0.4082 ( 1926 PWs) bands (ev): -5.1274 -5.1273 -1.4733 -1.4488 -1.3411 -1.2808 -1.1802 -1.1465 -1.0633 -1.0272 -0.8544 -0.8295 0.4177 0.4846 2.9341 3.0733 3.4246 3.4546 7.8251 7.8494 8.1309 8.1785 14.5903 14.9604 15.0218 15.1511 k = 0.5329-0.2317 0.4082 ( 1938 PWs) bands (ev): -5.1275 -5.1274 -1.4725 -1.4520 -1.3354 -1.2847 -1.1793 -1.1512 -1.0599 -1.0293 -0.8543 -0.8336 0.4197 0.4750 2.9768 3.0920 3.4359 3.4588 7.8087 7.8357 8.0444 8.0786 14.7024 15.0519 15.1340 15.2518 k = 0.5263-0.2431 0.4082 ( 1938 PWs) bands (ev): -5.1275 -5.1274 -1.4715 -1.4550 -1.3297 -1.2889 -1.1781 -1.1556 -1.0563 -1.0315 -0.8539 -0.8374 0.4221 0.4662 3.0125 3.1029 3.4499 3.4655 7.7920 7.8218 7.9761 7.9961 14.8088 15.1162 15.2492 15.3413 k = 0.5197-0.2545 0.4082 ( 1946 PWs) bands (ev): -5.1276 -5.1275 -1.4702 -1.4579 -1.3241 -1.2933 -1.1766 -1.1597 -1.0528 -1.0340 -0.8532 -0.8408 0.4252 0.4582 3.0413 3.1075 3.4639 3.4734 7.7752 7.8059 7.9268 7.9341 14.9072 15.1560 15.3560 15.4171 k = 0.5132-0.2659 0.4082 ( 1958 PWs) bands (ev): -5.1277 -5.1276 -1.4688 -1.4606 -1.3186 -1.2980 -1.1748 -1.1635 -1.0493 -1.0368 -0.8522 -0.8439 0.4290 0.4508 3.0639 3.1070 3.4757 3.4807 7.7608 7.7866 7.8950 7.8951 14.9950 15.1707 15.4443 15.4759 k = 0.5066-0.2773 0.4082 ( 1964 PWs) bands (ev): -5.1277 -5.1277 -1.4671 -1.4630 -1.3132 -1.3029 -1.1725 -1.1669 -1.0460 -1.0397 -0.8507 -0.8466 0.4334 0.4443 3.0810 3.1022 3.4836 3.4857 7.7528 7.7673 7.8761 7.8777 15.0689 15.1600 15.5029 15.5137 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -5.1277 -5.1277 -1.4652 -1.4652 -1.3079 -1.3079 -1.1699 -1.1699 -1.0427 -1.0427 -0.8488 -0.8488 0.4385 0.4385 3.0936 3.0936 3.4869 3.4869 7.7548 7.7548 7.8716 7.8716 15.1251 15.1251 15.5250 15.5250 Writing output data file ZnTe.save init_run : 2.14s CPU 13.79s WALL ( 1 calls) electrons : 158.56s CPU 163.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.39s WALL ( 1 calls) Called by electrons: c_bands : 158.54s CPU 163.22s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.59s WALL ( 1 calls) v_h : 0.01s CPU 0.04s WALL ( 1 calls) v_xc : 0.02s CPU 0.35s WALL ( 1 calls) newd : 0.25s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.09s WALL ( 346 calls) cegterg : 108.88s CPU 109.75s WALL ( 526 calls) Called by sum_band: Called by *egterg: h_psi : 59.54s CPU 63.55s WALL ( 7994 calls) s_psi : 4.95s CPU 5.49s WALL ( 7994 calls) g_psi : 0.07s CPU 0.14s WALL ( 7122 calls) cdiaghg : 30.78s CPU 29.50s WALL ( 7468 calls) cegterg:over : 9.13s CPU 7.49s WALL ( 7122 calls) cegterg:upda : 0.47s CPU 1.46s WALL ( 7122 calls) cegterg:last : 0.62s CPU 1.14s WALL ( 1552 calls) Called by h_psi: h_psi:vloc : 49.89s CPU 53.40s WALL ( 7994 calls) h_psi:vnl : 9.62s CPU 10.01s WALL ( 7994 calls) add_vuspsi : 2.06s CPU 3.72s WALL ( 7994 calls) General routines calbec : 7.55s CPU 6.20s WALL ( 7994 calls) fft : 0.29s CPU 1.19s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 47.90s CPU 50.90s WALL ( 477924 calls) interpolate : 0.17s CPU 0.24s WALL ( 4 calls) davcio : 0.02s CPU 2.42s WALL ( 692 calls) Parallel routines fft_scatter : 33.11s CPU 35.81s WALL ( 477947 calls) PWSCF : 3m10.22s CPU 4m34.77s WALL This run was terminated on: 20:24:43 25Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=