Program PWSCF v.5.1.1 starts on 25Aug2015 at 22:11:49 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), 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: ./CuI.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Cu.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 22 17 5 478 320 54 Max 23 18 6 481 331 57 Sum 1069 835 253 23049 15665 2637 bravais-lattice index = 14 lattice parameter (alat) = 8.0955 a.u. unit-cell volume = 375.1621 (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 = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.095518 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 I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 I 7.00 126.90450 I( 1.00) Cu 11.00 63.54600 Cu( 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= 347 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0096154 -0.0055514 0.0078509), wk = 0.0028818 k( 3) = ( 0.0192308 -0.0111029 0.0157019), wk = 0.0028818 k( 4) = ( 0.0288462 -0.0166543 0.0235528), wk = 0.0028818 k( 5) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0028818 k( 6) = ( 0.0480769 -0.0277572 0.0392546), wk = 0.0028818 k( 7) = ( 0.0576923 -0.0333087 0.0471056), wk = 0.0028818 k( 8) = ( 0.0673077 -0.0388601 0.0549565), wk = 0.0028818 k( 9) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0028818 k( 10) = ( 0.0865385 -0.0499630 0.0706584), wk = 0.0028818 k( 11) = ( 0.0961538 -0.0555145 0.0785093), wk = 0.0028818 k( 12) = ( 0.1057692 -0.0610659 0.0863602), wk = 0.0028818 k( 13) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0028818 k( 14) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0028818 k( 15) = ( 0.1346154 -0.0777202 0.1099130), wk = 0.0028818 k( 16) = ( 0.1442308 -0.0832717 0.1177639), wk = 0.0028818 k( 17) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0028818 k( 18) = ( 0.1634615 -0.0943746 0.1334658), wk = 0.0028818 k( 19) = ( 0.1730769 -0.0999260 0.1413167), wk = 0.0028818 k( 20) = ( 0.1826923 -0.1054775 0.1491676), wk = 0.0028818 k( 21) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0028818 k( 22) = ( 0.2019231 -0.1165803 0.1648695), wk = 0.0028818 k( 23) = ( 0.2115385 -0.1221318 0.1727204), wk = 0.0028818 k( 24) = ( 0.2211539 -0.1276832 0.1805714), wk = 0.0028818 k( 25) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0028818 k( 26) = ( 0.2403846 -0.1387861 0.1962732), wk = 0.0028818 k( 27) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028818 k( 28) = ( 0.2596154 -0.1498890 0.2119751), wk = 0.0028818 k( 29) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0028818 k( 30) = ( 0.2788462 -0.1609919 0.2276769), wk = 0.0028818 k( 31) = ( 0.2884615 -0.1665433 0.2355279), wk = 0.0028818 k( 32) = ( 0.2980769 -0.1720948 0.2433788), wk = 0.0028818 k( 33) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0028818 k( 34) = ( 0.3173077 -0.1831977 0.2590806), wk = 0.0028818 k( 35) = ( 0.3269231 -0.1887491 0.2669316), wk = 0.0028818 k( 36) = ( 0.3365385 -0.1943006 0.2747825), wk = 0.0028818 k( 37) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0028818 k( 38) = ( 0.3557692 -0.2054035 0.2904844), wk = 0.0028818 k( 39) = ( 0.3653846 -0.2109549 0.2983353), wk = 0.0028818 k( 40) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0028818 k( 41) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0028818 k( 42) = ( 0.3942308 -0.2276092 0.3218881), wk = 0.0028818 k( 43) = ( 0.4038462 -0.2331607 0.3297390), wk = 0.0028818 k( 44) = ( 0.4134615 -0.2387121 0.3375899), wk = 0.0028818 k( 45) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0028818 k( 46) = ( 0.4326923 -0.2498150 0.3532918), wk = 0.0028818 k( 47) = ( 0.4423077 -0.2553665 0.3611427), wk = 0.0028818 k( 48) = ( 0.4519231 -0.2609179 0.3689936), wk = 0.0028818 k( 49) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0028818 k( 50) = ( 0.4711538 -0.2720208 0.3846955), wk = 0.0028818 k( 51) = ( 0.4807692 -0.2775722 0.3925464), wk = 0.0028818 k( 52) = ( 0.4903846 -0.2831237 0.4003974), wk = 0.0028818 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028818 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028818 k( 55) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0028818 k( 56) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0028818 k( 57) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0028818 k( 58) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0028818 k( 59) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0028818 k( 60) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0028818 k( 61) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0028818 k( 62) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0028818 k( 63) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0028818 k( 64) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0028818 k( 65) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0028818 k( 66) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0028818 k( 67) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0028818 k( 68) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0028818 k( 69) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0028818 k( 70) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0028818 k( 71) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0028818 k( 72) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0028818 k( 73) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0028818 k( 74) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0028818 k( 75) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0028818 k( 76) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0028818 k( 77) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0028818 k( 78) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0028818 k( 79) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0028818 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028818 k( 81) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028818 k( 82) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028818 k( 83) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028818 k( 84) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028818 k( 85) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028818 k( 86) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028818 k( 87) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028818 k( 88) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028818 k( 89) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028818 k( 90) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028818 k( 91) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028818 k( 92) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028818 k( 93) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028818 k( 94) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028818 k( 95) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028818 k( 96) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028818 k( 97) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028818 k( 98) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028818 k( 99) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028818 k( 100) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028818 k( 101) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028818 k( 102) = ( 0.3683036 0.2126402 0.6014372), wk = 0.0028818 k( 103) = ( 0.3616071 0.2087740 0.5905020), wk = 0.0028818 k( 104) = ( 0.3549107 0.2049078 0.5795668), wk = 0.0028818 k( 105) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0028818 k( 106) = ( 0.3415179 0.1971754 0.5576963), wk = 0.0028818 k( 107) = ( 0.3348214 0.1933092 0.5467611), wk = 0.0028818 k( 108) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0028818 k( 109) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0028818 k( 110) = ( 0.3147321 0.1817107 0.5139554), wk = 0.0028818 k( 111) = ( 0.3080357 0.1778445 0.5030202), wk = 0.0028818 k( 112) = ( 0.3013393 0.1739783 0.4920850), wk = 0.0028818 k( 113) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0028818 k( 114) = ( 0.2879464 0.1662459 0.4702146), wk = 0.0028818 k( 115) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0028818 k( 116) = ( 0.2745536 0.1585136 0.4483441), wk = 0.0028818 k( 117) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0028818 k( 118) = ( 0.2611607 0.1507812 0.4264737), wk = 0.0028818 k( 119) = ( 0.2544643 0.1469150 0.4155384), wk = 0.0028818 k( 120) = ( 0.2477679 0.1430488 0.4046032), wk = 0.0028818 k( 121) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0028818 k( 122) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0028818 k( 123) = ( 0.2276786 0.1314503 0.3717975), wk = 0.0028818 k( 124) = ( 0.2209821 0.1275841 0.3608623), wk = 0.0028818 k( 125) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0028818 k( 126) = ( 0.2075893 0.1198517 0.3389919), wk = 0.0028818 k( 127) = ( 0.2008929 0.1159855 0.3280567), wk = 0.0028818 k( 128) = ( 0.1941964 0.1121194 0.3171214), wk = 0.0028818 k( 129) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0028818 k( 130) = ( 0.1808036 0.1043870 0.2952510), wk = 0.0028818 k( 131) = ( 0.1741071 0.1005208 0.2843158), wk = 0.0028818 k( 132) = ( 0.1674107 0.0966546 0.2733806), wk = 0.0028818 k( 133) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0028818 k( 134) = ( 0.1540179 0.0889223 0.2515101), wk = 0.0028818 k( 135) = ( 0.1473214 0.0850561 0.2405749), wk = 0.0028818 k( 136) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0028818 k( 137) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0028818 k( 138) = ( 0.1272321 0.0734575 0.2077692), wk = 0.0028818 k( 139) = ( 0.1205357 0.0695913 0.1968340), wk = 0.0028818 k( 140) = ( 0.1138393 0.0657251 0.1858988), wk = 0.0028818 k( 141) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0028818 k( 142) = ( 0.1004464 0.0579928 0.1640283), wk = 0.0028818 k( 143) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0028818 k( 144) = ( 0.0870536 0.0502604 0.1421579), wk = 0.0028818 k( 145) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0028818 k( 146) = ( 0.0736607 0.0425280 0.1202874), wk = 0.0028818 k( 147) = ( 0.0669643 0.0386619 0.1093522), wk = 0.0028818 k( 148) = ( 0.0602679 0.0347957 0.0984170), wk = 0.0028818 k( 149) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0028818 k( 150) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0028818 k( 151) = ( 0.0401786 0.0231971 0.0656113), wk = 0.0028818 k( 152) = ( 0.0334821 0.0193309 0.0546761), wk = 0.0028818 k( 153) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0028818 k( 154) = ( 0.0200893 0.0115986 0.0328057), wk = 0.0028818 k( 155) = ( 0.0133929 0.0077324 0.0218704), wk = 0.0028818 k( 156) = ( 0.0066964 0.0038662 0.0109352), wk = 0.0028818 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 159) = ( 0.0111111 0.0064150 0.0045361), wk = 0.0028818 k( 160) = ( 0.0222222 0.0128300 0.0090722), wk = 0.0028818 k( 161) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0028818 k( 162) = ( 0.0444444 0.0256600 0.0181444), wk = 0.0028818 k( 163) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0028818 k( 164) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0028818 k( 165) = ( 0.0777778 0.0449050 0.0317526), wk = 0.0028818 k( 166) = ( 0.0888889 0.0513200 0.0362887), wk = 0.0028818 k( 167) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0028818 k( 168) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0028818 k( 169) = ( 0.1222222 0.0705650 0.0498970), wk = 0.0028818 k( 170) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0028818 k( 171) = ( 0.1444444 0.0833950 0.0589692), wk = 0.0028818 k( 172) = ( 0.1555556 0.0898100 0.0635053), wk = 0.0028818 k( 173) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0028818 k( 174) = ( 0.1777778 0.1026400 0.0725775), wk = 0.0028818 k( 175) = ( 0.1888889 0.1090551 0.0771136), wk = 0.0028818 k( 176) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0028818 k( 177) = ( 0.2111111 0.1218851 0.0861857), wk = 0.0028818 k( 178) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0028818 k( 179) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0028818 k( 180) = ( 0.2444444 0.1411301 0.0997940), wk = 0.0028818 k( 181) = ( 0.2555556 0.1475451 0.1043301), wk = 0.0028818 k( 182) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0028818 k( 183) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0028818 k( 184) = ( 0.2888889 0.1667901 0.1179384), wk = 0.0028818 k( 185) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0028818 k( 186) = ( 0.3111111 0.1796201 0.1270106), wk = 0.0028818 k( 187) = ( 0.3222222 0.1860351 0.1315467), wk = 0.0028818 k( 188) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0028818 k( 189) = ( 0.3444444 0.1988651 0.1406189), wk = 0.0028818 k( 190) = ( 0.3555556 0.2052801 0.1451549), wk = 0.0028818 k( 191) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0028818 k( 192) = ( 0.3777778 0.2181101 0.1542271), wk = 0.0028818 k( 193) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0028818 k( 194) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0028818 k( 195) = ( 0.4111111 0.2373551 0.1678354), wk = 0.0028818 k( 196) = ( 0.4222222 0.2437701 0.1723715), wk = 0.0028818 k( 197) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0028818 k( 198) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0028818 k( 199) = ( 0.4555556 0.2630151 0.1859798), wk = 0.0028818 k( 200) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0028818 k( 201) = ( 0.4777778 0.2758451 0.1950520), wk = 0.0028818 k( 202) = ( 0.4888889 0.2822601 0.1995881), wk = 0.0028818 k( 203) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028818 k( 204) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028818 k( 205) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028818 k( 206) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028818 k( 207) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028818 k( 208) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028818 k( 209) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028818 k( 210) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028818 k( 211) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028818 k( 212) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028818 k( 213) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028818 k( 214) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028818 k( 215) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028818 k( 216) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028818 k( 217) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028818 k( 218) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028818 k( 219) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028818 k( 220) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028818 k( 221) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028818 k( 222) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028818 k( 223) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028818 k( 224) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028818 k( 225) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028818 k( 226) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028818 k( 227) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028818 k( 228) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028818 k( 229) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028818 k( 230) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028818 k( 231) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028818 k( 232) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028818 k( 233) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028818 k( 234) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028818 k( 235) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028818 k( 236) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028818 k( 237) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028818 k( 238) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028818 k( 239) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028818 k( 240) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028818 k( 241) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028818 k( 242) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028818 k( 243) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028818 k( 244) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028818 k( 245) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028818 k( 246) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028818 k( 247) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028818 k( 248) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028818 k( 249) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028818 k( 250) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028818 k( 251) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028818 k( 252) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028818 k( 253) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028818 k( 254) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028818 k( 255) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028818 k( 256) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028818 k( 257) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028818 k( 258) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028818 k( 259) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028818 k( 260) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028818 k( 261) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028818 k( 262) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028818 k( 263) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028818 k( 264) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028818 k( 265) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028818 k( 266) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028818 k( 267) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028818 k( 268) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028818 k( 269) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028818 k( 270) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028818 k( 271) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028818 k( 272) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028818 k( 273) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028818 k( 274) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028818 k( 275) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028818 k( 276) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028818 k( 277) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028818 k( 278) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028818 k( 279) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028818 k( 280) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028818 k( 281) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028818 k( 282) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028818 k( 283) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028818 k( 284) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028818 k( 285) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028818 k( 286) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028818 k( 287) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028818 k( 288) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028818 k( 289) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028818 k( 290) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028818 k( 291) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028818 k( 292) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028818 k( 293) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028818 k( 294) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028818 k( 295) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028818 k( 296) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028818 k( 297) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028818 k( 298) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028818 k( 299) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028818 k( 300) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028818 k( 301) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028818 k( 302) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028818 k( 303) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028818 k( 304) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028818 k( 305) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028818 k( 306) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028818 k( 307) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028818 k( 308) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028818 k( 309) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028818 k( 310) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028818 k( 311) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028818 k( 312) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028818 k( 313) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028818 k( 314) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028818 k( 315) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028818 k( 316) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028818 k( 317) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028818 k( 318) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028818 k( 319) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028818 k( 320) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028818 k( 321) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028818 k( 322) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028818 k( 323) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028818 k( 324) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028818 k( 325) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028818 k( 326) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028818 k( 327) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028818 k( 328) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028818 k( 329) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028818 k( 330) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028818 k( 331) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028818 k( 332) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028818 k( 333) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028818 k( 334) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028818 k( 335) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028818 k( 336) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028818 k( 337) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028818 k( 338) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028818 k( 339) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028818 k( 340) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028818 k( 341) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028818 k( 342) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028818 k( 343) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028818 k( 344) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028818 k( 345) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028818 k( 346) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028818 k( 347) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028818 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0096154 -0.0000000 0.0096154), wk = 0.0028818 k( 3) = ( 0.0192308 -0.0000000 0.0192308), wk = 0.0028818 k( 4) = ( 0.0288462 0.0000000 0.0288462), wk = 0.0028818 k( 5) = ( 0.0384615 -0.0000000 0.0384615), wk = 0.0028818 k( 6) = ( 0.0480769 0.0000000 0.0480769), wk = 0.0028818 k( 7) = ( 0.0576923 -0.0000000 0.0576923), wk = 0.0028818 k( 8) = ( 0.0673077 0.0000000 0.0673077), wk = 0.0028818 k( 9) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0028818 k( 10) = ( 0.0865385 -0.0000000 0.0865385), wk = 0.0028818 k( 11) = ( 0.0961538 0.0000000 0.0961538), wk = 0.0028818 k( 12) = ( 0.1057692 0.0000000 0.1057692), wk = 0.0028818 k( 13) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0028818 k( 14) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0028818 k( 15) = ( 0.1346154 0.0000000 0.1346154), wk = 0.0028818 k( 16) = ( 0.1442308 -0.0000000 0.1442308), wk = 0.0028818 k( 17) = ( 0.1538461 -0.0000000 0.1538461), wk = 0.0028818 k( 18) = ( 0.1634615 -0.0000000 0.1634615), wk = 0.0028818 k( 19) = ( 0.1730769 -0.0000000 0.1730769), wk = 0.0028818 k( 20) = ( 0.1826923 0.0000000 0.1826923), wk = 0.0028818 k( 21) = ( 0.1923077 0.0000000 0.1923077), wk = 0.0028818 k( 22) = ( 0.2019231 0.0000000 0.2019231), wk = 0.0028818 k( 23) = ( 0.2115385 0.0000000 0.2115385), wk = 0.0028818 k( 24) = ( 0.2211539 0.0000000 0.2211539), wk = 0.0028818 k( 25) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0028818 k( 26) = ( 0.2403846 0.0000000 0.2403846), wk = 0.0028818 k( 27) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028818 k( 28) = ( 0.2596154 -0.0000000 0.2596154), wk = 0.0028818 k( 29) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0028818 k( 30) = ( 0.2788462 0.0000000 0.2788462), wk = 0.0028818 k( 31) = ( 0.2884615 -0.0000000 0.2884615), wk = 0.0028818 k( 32) = ( 0.2980769 0.0000000 0.2980769), wk = 0.0028818 k( 33) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0028818 k( 34) = ( 0.3173077 -0.0000000 0.3173077), wk = 0.0028818 k( 35) = ( 0.3269231 -0.0000000 0.3269231), wk = 0.0028818 k( 36) = ( 0.3365385 0.0000000 0.3365385), wk = 0.0028818 k( 37) = ( 0.3461538 -0.0000000 0.3461538), wk = 0.0028818 k( 38) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0028818 k( 39) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0028818 k( 40) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0028818 k( 41) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0028818 k( 42) = ( 0.3942308 0.0000000 0.3942308), wk = 0.0028818 k( 43) = ( 0.4038462 0.0000000 0.4038462), wk = 0.0028818 k( 44) = ( 0.4134615 0.0000000 0.4134615), wk = 0.0028818 k( 45) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0028818 k( 46) = ( 0.4326923 0.0000000 0.4326923), wk = 0.0028818 k( 47) = ( 0.4423077 0.0000000 0.4423077), wk = 0.0028818 k( 48) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0028818 k( 49) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0028818 k( 50) = ( 0.4711538 0.0000000 0.4711538), wk = 0.0028818 k( 51) = ( 0.4807692 0.0000000 0.4807692), wk = 0.0028818 k( 52) = ( 0.4903846 0.0000000 0.4903846), wk = 0.0028818 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028818 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028818 k( 55) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0028818 k( 56) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0028818 k( 57) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0028818 k( 58) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0028818 k( 59) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0028818 k( 60) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0028818 k( 61) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0028818 k( 62) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0028818 k( 63) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0028818 k( 64) = ( 0.5000000 0.0961538 0.5961539), wk = 0.0028818 k( 65) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0028818 k( 66) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0028818 k( 67) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0028818 k( 68) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0028818 k( 69) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0028818 k( 70) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0028818 k( 71) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0028818 k( 72) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0028818 k( 73) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0028818 k( 74) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0028818 k( 75) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0028818 k( 76) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0028818 k( 77) = ( 0.5000000 0.2211539 0.7211538), wk = 0.0028818 k( 78) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028818 k( 79) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028818 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028818 k( 81) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028818 k( 82) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028818 k( 83) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028818 k( 84) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028818 k( 85) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028818 k( 86) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028818 k( 87) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028818 k( 88) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028818 k( 89) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028818 k( 90) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028818 k( 91) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028818 k( 92) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028818 k( 93) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028818 k( 94) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028818 k( 95) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028818 k( 96) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028818 k( 97) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028818 k( 98) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028818 k( 99) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028818 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028818 k( 101) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028818 k( 102) = ( 0.3683036 0.3683036 0.7366071), wk = 0.0028818 k( 103) = ( 0.3616071 0.3616071 0.7232143), wk = 0.0028818 k( 104) = ( 0.3549107 0.3549107 0.7098214), wk = 0.0028818 k( 105) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0028818 k( 106) = ( 0.3415179 0.3415179 0.6830357), wk = 0.0028818 k( 107) = ( 0.3348214 0.3348214 0.6696429), wk = 0.0028818 k( 108) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0028818 k( 109) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0028818 k( 110) = ( 0.3147321 0.3147321 0.6294643), wk = 0.0028818 k( 111) = ( 0.3080357 0.3080357 0.6160714), wk = 0.0028818 k( 112) = ( 0.3013393 0.3013393 0.6026786), wk = 0.0028818 k( 113) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0028818 k( 114) = ( 0.2879464 0.2879464 0.5758929), wk = 0.0028818 k( 115) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0028818 k( 116) = ( 0.2745536 0.2745536 0.5491071), wk = 0.0028818 k( 117) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0028818 k( 118) = ( 0.2611607 0.2611607 0.5223214), wk = 0.0028818 k( 119) = ( 0.2544643 0.2544643 0.5089286), wk = 0.0028818 k( 120) = ( 0.2477679 0.2477679 0.4955357), wk = 0.0028818 k( 121) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0028818 k( 122) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0028818 k( 123) = ( 0.2276786 0.2276786 0.4553571), wk = 0.0028818 k( 124) = ( 0.2209821 0.2209821 0.4419643), wk = 0.0028818 k( 125) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0028818 k( 126) = ( 0.2075893 0.2075893 0.4151786), wk = 0.0028818 k( 127) = ( 0.2008929 0.2008929 0.4017857), wk = 0.0028818 k( 128) = ( 0.1941964 0.1941964 0.3883929), wk = 0.0028818 k( 129) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0028818 k( 130) = ( 0.1808036 0.1808036 0.3616071), wk = 0.0028818 k( 131) = ( 0.1741071 0.1741071 0.3482143), wk = 0.0028818 k( 132) = ( 0.1674107 0.1674107 0.3348214), wk = 0.0028818 k( 133) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0028818 k( 134) = ( 0.1540179 0.1540179 0.3080357), wk = 0.0028818 k( 135) = ( 0.1473214 0.1473214 0.2946429), wk = 0.0028818 k( 136) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0028818 k( 137) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0028818 k( 138) = ( 0.1272321 0.1272321 0.2544643), wk = 0.0028818 k( 139) = ( 0.1205357 0.1205357 0.2410714), wk = 0.0028818 k( 140) = ( 0.1138393 0.1138393 0.2276786), wk = 0.0028818 k( 141) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0028818 k( 142) = ( 0.1004464 0.1004464 0.2008929), wk = 0.0028818 k( 143) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0028818 k( 144) = ( 0.0870536 0.0870536 0.1741071), wk = 0.0028818 k( 145) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0028818 k( 146) = ( 0.0736607 0.0736607 0.1473214), wk = 0.0028818 k( 147) = ( 0.0669643 0.0669643 0.1339286), wk = 0.0028818 k( 148) = ( 0.0602679 0.0602679 0.1205357), wk = 0.0028818 k( 149) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0028818 k( 150) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0028818 k( 151) = ( 0.0401786 0.0401786 0.0803571), wk = 0.0028818 k( 152) = ( 0.0334821 0.0334821 0.0669643), wk = 0.0028818 k( 153) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0028818 k( 154) = ( 0.0200893 0.0200893 0.0401786), wk = 0.0028818 k( 155) = ( 0.0133929 0.0133929 0.0267857), wk = 0.0028818 k( 156) = ( 0.0066964 0.0066964 0.0133929), wk = 0.0028818 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 159) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0028818 k( 160) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0028818 k( 161) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0028818 k( 162) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0028818 k( 163) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028818 k( 164) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0028818 k( 165) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0028818 k( 166) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0028818 k( 167) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028818 k( 168) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028818 k( 169) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0028818 k( 170) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0028818 k( 171) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0028818 k( 172) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0028818 k( 173) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028818 k( 174) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0028818 k( 175) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0028818 k( 176) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028818 k( 177) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0028818 k( 178) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028818 k( 179) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0028818 k( 180) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0028818 k( 181) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0028818 k( 182) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0028818 k( 183) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028818 k( 184) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0028818 k( 185) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028818 k( 186) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0028818 k( 187) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0028818 k( 188) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028818 k( 189) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0028818 k( 190) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0028818 k( 191) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0028818 k( 192) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0028818 k( 193) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028818 k( 194) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028818 k( 195) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0028818 k( 196) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0028818 k( 197) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0028818 k( 198) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028818 k( 199) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0028818 k( 200) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0028818 k( 201) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0028818 k( 202) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0028818 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 204) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 205) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028818 k( 206) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028818 k( 207) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0028818 k( 208) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028818 k( 209) = ( 0.5195312 0.4609375 0.5195313), wk = 0.0028818 k( 210) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028818 k( 211) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028818 k( 212) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028818 k( 213) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028818 k( 214) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028818 k( 215) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0028818 k( 216) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028818 k( 217) = ( 0.5507812 0.3984375 0.5507813), wk = 0.0028818 k( 218) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028818 k( 219) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028818 k( 220) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028818 k( 221) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028818 k( 222) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028818 k( 223) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0028818 k( 224) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028818 k( 225) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028818 k( 226) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028818 k( 227) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0028818 k( 228) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028818 k( 229) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028818 k( 230) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028818 k( 231) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028818 k( 232) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028818 k( 233) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028818 k( 234) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028818 k( 235) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028818 k( 236) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028818 k( 237) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028818 k( 238) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028818 k( 239) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028818 k( 240) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028818 k( 241) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028818 k( 242) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028818 k( 243) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028818 k( 244) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028818 k( 245) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028818 k( 246) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028818 k( 247) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028818 k( 248) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028818 k( 249) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028818 k( 250) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028818 k( 251) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028818 k( 252) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028818 k( 253) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028818 k( 254) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028818 k( 255) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028818 k( 256) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028818 k( 257) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028818 k( 258) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028818 k( 259) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028818 k( 260) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028818 k( 261) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028818 k( 262) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028818 k( 263) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028818 k( 264) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028818 k( 265) = ( 0.5000000 0.3040541 0.6959460), wk = 0.0028818 k( 266) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028818 k( 267) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028818 k( 268) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028818 k( 269) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028818 k( 270) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028818 k( 271) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028818 k( 272) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028818 k( 273) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028818 k( 274) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028818 k( 275) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028818 k( 276) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028818 k( 277) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028818 k( 278) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028818 k( 279) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028818 k( 280) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028818 k( 281) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028818 k( 282) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028818 k( 283) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028818 k( 284) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028818 k( 285) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028818 k( 286) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028818 k( 287) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028818 k( 288) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028818 k( 289) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028818 k( 290) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028818 k( 291) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028818 k( 292) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028818 k( 293) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028818 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 295) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 296) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0028818 k( 297) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028818 k( 298) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028818 k( 299) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028818 k( 300) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0028818 k( 301) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028818 k( 302) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028818 k( 303) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028818 k( 304) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0028818 k( 305) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028818 k( 306) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0028818 k( 307) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028818 k( 308) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0028818 k( 309) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028818 k( 310) = ( 0.4414062 0.4414063 0.6171875), wk = 0.0028818 k( 311) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028818 k( 312) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0028818 k( 313) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028818 k( 314) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028818 k( 315) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028818 k( 316) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0028818 k( 317) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028818 k( 318) = ( 0.4101562 0.4101563 0.6796875), wk = 0.0028818 k( 319) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028818 k( 320) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028818 k( 321) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028818 k( 322) = ( 0.3945312 0.3945313 0.7109375), wk = 0.0028818 k( 323) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028818 k( 324) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028818 k( 325) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028818 k( 326) = ( 0.3789062 0.3789063 0.7421875), wk = 0.0028818 k( 327) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028818 k( 328) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028818 k( 329) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028818 k( 330) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028818 k( 331) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028818 k( 332) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028818 k( 333) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028818 k( 334) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028818 k( 335) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028818 k( 336) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028818 k( 337) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028818 k( 338) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028818 k( 339) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028818 k( 340) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028818 k( 341) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028818 k( 342) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028818 k( 343) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028818 k( 344) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028818 k( 345) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028818 k( 346) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028818 k( 347) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028818 Dense grid: 23049 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 15665 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 80, 26) NL pseudopotentials 0.04 Mb ( 40, 68) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 481) G-vector shells 0.00 Mb ( 184) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 80, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.05 Mb ( 68, 2, 26) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./CuI.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 41.7 secs Computing kpt #: 2 total cpu time spent up to now is 42.0 secs Computing kpt #: 3 total cpu time spent up to now is 42.2 secs Computing kpt #: 4 total cpu time spent up to now is 43.0 secs Computing kpt #: 5 total cpu time spent up to now is 43.3 secs Computing kpt #: 6 total cpu time spent up to now is 43.5 secs Computing kpt #: 7 total cpu time spent up to now is 43.8 secs Computing kpt #: 8 total cpu time spent up to now is 44.0 secs Computing kpt #: 9 total cpu time spent up to now is 44.3 secs Computing kpt #: 10 total cpu time spent up to now is 44.6 secs Computing kpt #: 11 total cpu time spent up to now is 44.8 secs Computing kpt #: 12 total cpu time spent up to now is 45.1 secs Computing kpt #: 13 total cpu time spent up to now is 45.3 secs Computing kpt #: 14 total cpu time spent up to now is 45.6 secs Computing kpt #: 15 total cpu time spent up to now is 45.9 secs Computing kpt #: 16 total cpu time spent up to now is 46.1 secs Computing kpt #: 17 total cpu time spent up to now is 46.4 secs Computing kpt #: 18 total cpu time spent up to now is 47.0 secs Computing kpt #: 19 total cpu time spent up to now is 47.3 secs Computing kpt #: 20 total cpu time spent up to now is 47.5 secs Computing kpt #: 21 total cpu time spent up to now is 47.8 secs Computing kpt #: 22 total cpu time spent up to now is 48.1 secs Computing kpt #: 23 total cpu time spent up to now is 48.3 secs Computing kpt #: 24 total cpu time spent up to now is 48.9 secs Computing kpt #: 25 total cpu time spent up to now is 49.3 secs Computing kpt #: 26 total cpu time spent up to now is 49.8 secs Computing kpt #: 27 total cpu time spent up to now is 50.2 secs Computing kpt #: 28 total cpu time spent up to now is 50.5 secs Computing kpt #: 29 total cpu time spent up to now is 51.0 secs Computing kpt #: 30 total cpu time spent up to now is 51.4 secs Computing kpt #: 31 total cpu time spent up to now is 51.8 secs Computing kpt #: 32 total cpu time spent up to now is 52.3 secs Computing kpt #: 33 total cpu time spent up to now is 52.7 secs Computing kpt #: 34 total cpu time spent up to now is 53.1 secs Computing kpt #: 35 total cpu time spent up to now is 53.6 secs Computing kpt #: 36 total cpu time spent up to now is 53.9 secs Computing kpt #: 37 total cpu time spent up to now is 54.5 secs Computing kpt #: 38 total cpu time spent up to now is 54.9 secs Computing kpt #: 39 total cpu time spent up to now is 55.3 secs Computing kpt #: 40 total cpu time spent up to now is 55.7 secs Computing kpt #: 41 total cpu time spent up to now is 56.2 secs Computing kpt #: 42 total cpu time spent up to now is 56.6 secs Computing kpt #: 43 total cpu time spent up to now is 57.1 secs Computing kpt #: 44 total cpu time spent up to now is 57.5 secs Computing kpt #: 45 total cpu time spent up to now is 58.3 secs Computing kpt #: 46 total cpu time spent up to now is 58.7 secs Computing kpt #: 47 total cpu time spent up to now is 59.3 secs Computing kpt #: 48 total cpu time spent up to now is 59.9 secs Computing kpt #: 49 total cpu time spent up to now is 60.4 secs Computing kpt #: 50 total cpu time spent up to now is 61.2 secs Computing kpt #: 51 total cpu time spent up to now is 61.8 secs Computing kpt #: 52 total cpu time spent up to now is 62.4 secs Computing kpt #: 53 total cpu time spent up to now is 63.0 secs Computing kpt #: 54 total cpu time spent up to now is 63.7 secs Computing kpt #: 55 total cpu time spent up to now is 64.3 secs Computing kpt #: 56 total cpu time spent up to now is 64.8 secs Computing kpt #: 57 total cpu time spent up to now is 65.2 secs Computing kpt #: 58 total cpu time spent up to now is 65.7 secs Computing kpt #: 59 total cpu time spent up to now is 66.1 secs Computing kpt #: 60 total cpu time spent up to now is 66.4 secs Computing kpt #: 61 total cpu time spent up to now is 66.8 secs Computing kpt #: 62 total cpu time spent up to now is 67.1 secs Computing kpt #: 63 total cpu time spent up to now is 67.5 secs Computing kpt #: 64 total cpu time spent up to now is 67.8 secs Computing kpt #: 65 total cpu time spent up to now is 68.1 secs Computing kpt #: 66 total cpu time spent up to now is 68.4 secs Computing kpt #: 67 total cpu time spent up to now is 68.7 secs Computing kpt #: 68 total cpu time spent up to now is 69.0 secs Computing kpt #: 69 total cpu time spent up to now is 69.3 secs Computing kpt #: 70 total cpu time spent up to now is 69.7 secs Computing kpt #: 71 total cpu time spent up to now is 70.2 secs Computing kpt #: 72 total cpu time spent up to now is 70.4 secs Computing kpt #: 73 total cpu time spent up to now is 70.9 secs Computing kpt #: 74 total cpu time spent up to now is 71.2 secs Computing kpt #: 75 total cpu time spent up to now is 71.6 secs Computing kpt #: 76 total cpu time spent up to now is 71.9 secs Computing kpt #: 77 total cpu time spent up to now is 72.2 secs Computing kpt #: 78 total cpu time spent up to now is 72.5 secs Computing kpt #: 79 total cpu time spent up to now is 72.8 secs Computing kpt #: 80 total cpu time spent up to now is 73.1 secs Computing kpt #: 81 total cpu time spent up to now is 73.5 secs Computing kpt #: 82 total cpu time spent up to now is 73.8 secs Computing kpt #: 83 total cpu time spent up to now is 74.2 secs Computing kpt #: 84 total cpu time spent up to now is 74.5 secs Computing kpt #: 85 total cpu time spent up to now is 74.9 secs Computing kpt #: 86 total cpu time spent up to now is 75.5 secs Computing kpt #: 87 total cpu time spent up to now is 75.9 secs Computing kpt #: 88 total cpu time spent up to now is 76.2 secs Computing kpt #: 89 total cpu time spent up to now is 76.5 secs Computing kpt #: 90 total cpu time spent up to now is 76.8 secs Computing kpt #: 91 total cpu time spent up to now is 77.1 secs Computing kpt #: 92 total cpu time spent up to now is 77.3 secs Computing kpt #: 93 total cpu time spent up to now is 77.6 secs Computing kpt #: 94 total cpu time spent up to now is 77.9 secs Computing kpt #: 95 total cpu time spent up to now is 78.2 secs Computing kpt #: 96 total cpu time spent up to now is 78.6 secs Computing kpt #: 97 total cpu time spent up to now is 79.2 secs Computing kpt #: 98 total cpu time spent up to now is 80.0 secs Computing kpt #: 99 total cpu time spent up to now is 80.6 secs Computing kpt #: 100 total cpu time spent up to now is 81.6 secs Computing kpt #: 101 total cpu time spent up to now is 82.2 secs Computing kpt #: 102 total cpu time spent up to now is 82.7 secs Computing kpt #: 103 total cpu time spent up to now is 83.1 secs Computing kpt #: 104 total cpu time spent up to now is 83.6 secs Computing kpt #: 105 total cpu time spent up to now is 84.1 secs Computing kpt #: 106 total cpu time spent up to now is 85.6 secs Computing kpt #: 107 total cpu time spent up to now is 86.2 secs Computing kpt #: 108 total cpu time spent up to now is 86.7 secs Computing kpt #: 109 total cpu time spent up to now is 87.4 secs Computing kpt #: 110 total cpu time spent up to now is 87.8 secs Computing kpt #: 111 total cpu time spent up to now is 88.2 secs Computing kpt #: 112 total cpu time spent up to now is 88.4 secs Computing kpt #: 113 total cpu time spent up to now is 88.9 secs Computing kpt #: 114 total cpu time spent up to now is 89.2 secs Computing kpt #: 115 total cpu time spent up to now is 89.8 secs Computing kpt #: 116 total cpu time spent up to now is 90.1 secs Computing kpt #: 117 total cpu time spent up to now is 90.4 secs Computing kpt #: 118 total cpu time spent up to now is 91.5 secs Computing kpt #: 119 total cpu time spent up to now is 92.4 secs Computing kpt #: 120 total cpu time spent up to now is 93.0 secs Computing kpt #: 121 total cpu time spent up to now is 93.9 secs Computing kpt #: 122 total cpu time spent up to now is 94.1 secs Computing kpt #: 123 total cpu time spent up to now is 94.7 secs Computing kpt #: 124 total cpu time spent up to now is 95.0 secs Computing kpt #: 125 total cpu time spent up to now is 95.2 secs Computing kpt #: 126 total cpu time spent up to now is 95.5 secs Computing kpt #: 127 total cpu time spent up to now is 96.2 secs Computing kpt #: 128 total cpu time spent up to now is 96.5 secs Computing kpt #: 129 total cpu time spent up to now is 96.8 secs Computing kpt #: 130 total cpu time spent up to now is 97.6 secs Computing kpt #: 131 total cpu time spent up to now is 97.9 secs Computing kpt #: 132 total cpu time spent up to now is 98.4 secs Computing kpt #: 133 total cpu time spent up to now is 99.1 secs Computing kpt #: 134 total cpu time spent up to now is 100.2 secs Computing kpt #: 135 total cpu time spent up to now is 100.7 secs Computing kpt #: 136 total cpu time spent up to now is 101.0 secs Computing kpt #: 137 total cpu time spent up to now is 101.4 secs Computing kpt #: 138 total cpu time spent up to now is 101.8 secs Computing kpt #: 139 total cpu time spent up to now is 102.2 secs Computing kpt #: 140 total cpu time spent up to now is 102.6 secs Computing kpt #: 141 total cpu time spent up to now is 103.0 secs Computing kpt #: 142 total cpu time spent up to now is 103.7 secs Computing kpt #: 143 total cpu time spent up to now is 104.4 secs Computing kpt #: 144 total cpu time spent up to now is 105.1 secs Computing kpt #: 145 total cpu time spent up to now is 105.9 secs Computing kpt #: 146 total cpu time spent up to now is 106.6 secs Computing kpt #: 147 total cpu time spent up to now is 107.3 secs Computing kpt #: 148 total cpu time spent up to now is 107.9 secs Computing kpt #: 149 total cpu time spent up to now is 108.2 secs Computing kpt #: 150 total cpu time spent up to now is 108.5 secs Computing kpt #: 151 total cpu time spent up to now is 108.8 secs Computing kpt #: 152 total cpu time spent up to now is 109.0 secs Computing kpt #: 153 total cpu time spent up to now is 109.3 secs Computing kpt #: 154 total cpu time spent up to now is 109.6 secs Computing kpt #: 155 total cpu time spent up to now is 109.8 secs Computing kpt #: 156 total cpu time spent up to now is 110.1 secs Computing kpt #: 157 total cpu time spent up to now is 110.3 secs Computing kpt #: 158 total cpu time spent up to now is 110.6 secs Computing kpt #: 159 total cpu time spent up to now is 111.0 secs Computing kpt #: 160 total cpu time spent up to now is 111.3 secs Computing kpt #: 161 total cpu time spent up to now is 111.6 secs Computing kpt #: 162 total cpu time spent up to now is 112.0 secs Computing kpt #: 163 total cpu time spent up to now is 112.4 secs Computing kpt #: 164 total cpu time spent up to now is 112.7 secs Computing kpt #: 165 total cpu time spent up to now is 113.2 secs Computing kpt #: 166 total cpu time spent up to now is 113.5 secs Computing kpt #: 167 total cpu time spent up to now is 113.9 secs Computing kpt #: 168 total cpu time spent up to now is 114.2 secs Computing kpt #: 169 total cpu time spent up to now is 115.1 secs Computing kpt #: 170 total cpu time spent up to now is 115.6 secs Computing kpt #: 171 total cpu time spent up to now is 116.1 secs Computing kpt #: 172 total cpu time spent up to now is 116.5 secs Computing kpt #: 173 total cpu time spent up to now is 116.9 secs Computing kpt #: 174 total cpu time spent up to now is 117.2 secs Computing kpt #: 175 total cpu time spent up to now is 117.6 secs Computing kpt #: 176 total cpu time spent up to now is 118.1 secs Computing kpt #: 177 total cpu time spent up to now is 118.5 secs Computing kpt #: 178 total cpu time spent up to now is 118.7 secs Computing kpt #: 179 total cpu time spent up to now is 119.0 secs Computing kpt #: 180 total cpu time spent up to now is 119.3 secs Computing kpt #: 181 total cpu time spent up to now is 119.5 secs Computing kpt #: 182 total cpu time spent up to now is 119.8 secs Computing kpt #: 183 total cpu time spent up to now is 120.1 secs Computing kpt #: 184 total cpu time spent up to now is 120.3 secs Computing kpt #: 185 total cpu time spent up to now is 120.6 secs Computing kpt #: 186 total cpu time spent up to now is 120.9 secs Computing kpt #: 187 total cpu time spent up to now is 121.2 secs Computing kpt #: 188 total cpu time spent up to now is 121.5 secs Computing kpt #: 189 total cpu time spent up to now is 121.9 secs Computing kpt #: 190 total cpu time spent up to now is 122.4 secs Computing kpt #: 191 total cpu time spent up to now is 122.7 secs Computing kpt #: 192 total cpu time spent up to now is 123.0 secs Computing kpt #: 193 total cpu time spent up to now is 123.4 secs Computing kpt #: 194 total cpu time spent up to now is 123.7 secs Computing kpt #: 195 total cpu time spent up to now is 124.2 secs Computing kpt #: 196 total cpu time spent up to now is 124.5 secs Computing kpt #: 197 total cpu time spent up to now is 124.8 secs Computing kpt #: 198 total cpu time spent up to now is 125.2 secs Computing kpt #: 199 total cpu time spent up to now is 125.5 secs Computing kpt #: 200 total cpu time spent up to now is 126.0 secs Computing kpt #: 201 total cpu time spent up to now is 126.8 secs Computing kpt #: 202 total cpu time spent up to now is 127.4 secs Computing kpt #: 203 total cpu time spent up to now is 128.3 secs Computing kpt #: 204 total cpu time spent up to now is 129.3 secs Computing kpt #: 205 total cpu time spent up to now is 130.1 secs Computing kpt #: 206 total cpu time spent up to now is 130.9 secs Computing kpt #: 207 total cpu time spent up to now is 131.4 secs Computing kpt #: 208 total cpu time spent up to now is 131.7 secs Computing kpt #: 209 total cpu time spent up to now is 132.0 secs Computing kpt #: 210 total cpu time spent up to now is 132.3 secs Computing kpt #: 211 total cpu time spent up to now is 132.6 secs Computing kpt #: 212 total cpu time spent up to now is 133.0 secs Computing kpt #: 213 total cpu time spent up to now is 133.3 secs Computing kpt #: 214 total cpu time spent up to now is 133.9 secs Computing kpt #: 215 total cpu time spent up to now is 134.3 secs Computing kpt #: 216 total cpu time spent up to now is 134.7 secs Computing kpt #: 217 total cpu time spent up to now is 135.4 secs Computing kpt #: 218 total cpu time spent up to now is 136.0 secs Computing kpt #: 219 total cpu time spent up to now is 136.3 secs Computing kpt #: 220 total cpu time spent up to now is 136.6 secs Computing kpt #: 221 total cpu time spent up to now is 136.9 secs Computing kpt #: 222 total cpu time spent up to now is 137.2 secs Computing kpt #: 223 total cpu time spent up to now is 137.5 secs Computing kpt #: 224 total cpu time spent up to now is 137.8 secs Computing kpt #: 225 total cpu time spent up to now is 138.0 secs Computing kpt #: 226 total cpu time spent up to now is 138.3 secs Computing kpt #: 227 total cpu time spent up to now is 138.6 secs Computing kpt #: 228 total cpu time spent up to now is 138.9 secs Computing kpt #: 229 total cpu time spent up to now is 139.2 secs Computing kpt #: 230 total cpu time spent up to now is 139.5 secs Computing kpt #: 231 total cpu time spent up to now is 139.9 secs Computing kpt #: 232 total cpu time spent up to now is 140.2 secs Computing kpt #: 233 total cpu time spent up to now is 140.9 secs Computing kpt #: 234 total cpu time spent up to now is 141.6 secs Computing kpt #: 235 total cpu time spent up to now is 142.1 secs Computing kpt #: 236 total cpu time spent up to now is 142.7 secs Computing kpt #: 237 total cpu time spent up to now is 143.3 secs Computing kpt #: 238 total cpu time spent up to now is 143.6 secs Computing kpt #: 239 total cpu time spent up to now is 144.0 secs Computing kpt #: 240 total cpu time spent up to now is 144.3 secs Computing kpt #: 241 total cpu time spent up to now is 144.6 secs Computing kpt #: 242 total cpu time spent up to now is 144.9 secs Computing kpt #: 243 total cpu time spent up to now is 145.2 secs Computing kpt #: 244 total cpu time spent up to now is 145.5 secs Computing kpt #: 245 total cpu time spent up to now is 145.8 secs Computing kpt #: 246 total cpu time spent up to now is 146.0 secs Computing kpt #: 247 total cpu time spent up to now is 146.3 secs Computing kpt #: 248 total cpu time spent up to now is 146.6 secs Computing kpt #: 249 total cpu time spent up to now is 146.9 secs Computing kpt #: 250 total cpu time spent up to now is 147.1 secs Computing kpt #: 251 total cpu time spent up to now is 147.4 secs Computing kpt #: 252 total cpu time spent up to now is 147.7 secs Computing kpt #: 253 total cpu time spent up to now is 147.9 secs Computing kpt #: 254 total cpu time spent up to now is 148.2 secs Computing kpt #: 255 total cpu time spent up to now is 148.5 secs Computing kpt #: 256 total cpu time spent up to now is 148.7 secs Computing kpt #: 257 total cpu time spent up to now is 149.0 secs Computing kpt #: 258 total cpu time spent up to now is 149.7 secs Computing kpt #: 259 total cpu time spent up to now is 150.0 secs Computing kpt #: 260 total cpu time spent up to now is 150.4 secs Computing kpt #: 261 total cpu time spent up to now is 150.7 secs Computing kpt #: 262 total cpu time spent up to now is 151.3 secs Computing kpt #: 263 total cpu time spent up to now is 151.6 secs Computing kpt #: 264 total cpu time spent up to now is 152.5 secs Computing kpt #: 265 total cpu time spent up to now is 153.6 secs Computing kpt #: 266 total cpu time spent up to now is 154.3 secs Computing kpt #: 267 total cpu time spent up to now is 155.3 secs Computing kpt #: 268 total cpu time spent up to now is 156.5 secs Computing kpt #: 269 total cpu time spent up to now is 156.8 secs Computing kpt #: 270 total cpu time spent up to now is 157.2 secs Computing kpt #: 271 total cpu time spent up to now is 157.5 secs Computing kpt #: 272 total cpu time spent up to now is 157.9 secs Computing kpt #: 273 total cpu time spent up to now is 158.3 secs Computing kpt #: 274 total cpu time spent up to now is 158.6 secs Computing kpt #: 275 total cpu time spent up to now is 158.9 secs Computing kpt #: 276 total cpu time spent up to now is 159.2 secs Computing kpt #: 277 total cpu time spent up to now is 159.5 secs Computing kpt #: 278 total cpu time spent up to now is 159.8 secs Computing kpt #: 279 total cpu time spent up to now is 160.1 secs Computing kpt #: 280 total cpu time spent up to now is 160.4 secs Computing kpt #: 281 total cpu time spent up to now is 160.7 secs Computing kpt #: 282 total cpu time spent up to now is 161.1 secs Computing kpt #: 283 total cpu time spent up to now is 161.5 secs Computing kpt #: 284 total cpu time spent up to now is 162.0 secs Computing kpt #: 285 total cpu time spent up to now is 162.4 secs Computing kpt #: 286 total cpu time spent up to now is 162.9 secs Computing kpt #: 287 total cpu time spent up to now is 163.5 secs Computing kpt #: 288 total cpu time spent up to now is 163.8 secs Computing kpt #: 289 total cpu time spent up to now is 164.3 secs Computing kpt #: 290 total cpu time spent up to now is 164.9 secs Computing kpt #: 291 total cpu time spent up to now is 165.9 secs Computing kpt #: 292 total cpu time spent up to now is 166.3 secs Computing kpt #: 293 total cpu time spent up to now is 166.7 secs Computing kpt #: 294 total cpu time spent up to now is 167.3 secs Computing kpt #: 295 total cpu time spent up to now is 167.7 secs Computing kpt #: 296 total cpu time spent up to now is 168.2 secs Computing kpt #: 297 total cpu time spent up to now is 168.6 secs Computing kpt #: 298 total cpu time spent up to now is 168.9 secs Computing kpt #: 299 total cpu time spent up to now is 169.4 secs Computing kpt #: 300 total cpu time spent up to now is 169.8 secs Computing kpt #: 301 total cpu time spent up to now is 170.1 secs Computing kpt #: 302 total cpu time spent up to now is 170.7 secs Computing kpt #: 303 total cpu time spent up to now is 171.6 secs Computing kpt #: 304 total cpu time spent up to now is 172.0 secs Computing kpt #: 305 total cpu time spent up to now is 172.8 secs Computing kpt #: 306 total cpu time spent up to now is 173.8 secs Computing kpt #: 307 total cpu time spent up to now is 174.1 secs Computing kpt #: 308 total cpu time spent up to now is 174.4 secs Computing kpt #: 309 total cpu time spent up to now is 174.7 secs Computing kpt #: 310 total cpu time spent up to now is 175.0 secs Computing kpt #: 311 total cpu time spent up to now is 175.3 secs Computing kpt #: 312 total cpu time spent up to now is 175.6 secs Computing kpt #: 313 total cpu time spent up to now is 175.9 secs Computing kpt #: 314 total cpu time spent up to now is 176.1 secs Computing kpt #: 315 total cpu time spent up to now is 176.4 secs Computing kpt #: 316 total cpu time spent up to now is 176.7 secs Computing kpt #: 317 total cpu time spent up to now is 177.0 secs Computing kpt #: 318 total cpu time spent up to now is 177.8 secs Computing kpt #: 319 total cpu time spent up to now is 178.6 secs Computing kpt #: 320 total cpu time spent up to now is 179.4 secs Computing kpt #: 321 total cpu time spent up to now is 180.2 secs Computing kpt #: 322 total cpu time spent up to now is 181.3 secs Computing kpt #: 323 total cpu time spent up to now is 182.0 secs Computing kpt #: 324 total cpu time spent up to now is 182.4 secs Computing kpt #: 325 total cpu time spent up to now is 182.8 secs Computing kpt #: 326 total cpu time spent up to now is 183.2 secs Computing kpt #: 327 total cpu time spent up to now is 183.5 secs Computing kpt #: 328 total cpu time spent up to now is 183.9 secs Computing kpt #: 329 total cpu time spent up to now is 184.2 secs Computing kpt #: 330 total cpu time spent up to now is 184.6 secs Computing kpt #: 331 total cpu time spent up to now is 185.0 secs Computing kpt #: 332 total cpu time spent up to now is 185.3 secs Computing kpt #: 333 total cpu time spent up to now is 185.7 secs Computing kpt #: 334 total cpu time spent up to now is 186.4 secs Computing kpt #: 335 total cpu time spent up to now is 186.8 secs Computing kpt #: 336 total cpu time spent up to now is 187.2 secs Computing kpt #: 337 total cpu time spent up to now is 187.6 secs Computing kpt #: 338 total cpu time spent up to now is 188.3 secs Computing kpt #: 339 total cpu time spent up to now is 189.0 secs Computing kpt #: 340 total cpu time spent up to now is 189.5 secs Computing kpt #: 341 total cpu time spent up to now is 190.0 secs Computing kpt #: 342 total cpu time spent up to now is 190.4 secs Computing kpt #: 343 total cpu time spent up to now is 190.8 secs Computing kpt #: 344 total cpu time spent up to now is 191.3 secs Computing kpt #: 345 total cpu time spent up to now is 191.7 secs Computing kpt #: 346 total cpu time spent up to now is 192.2 secs Computing kpt #: 347 total cpu time spent up to now is 192.7 secs ethr = 5.56E-11, avg # of iterations = 19.4 total cpu time spent up to now is 192.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1989 PWs) bands (ev): -8.1955 -8.1955 1.7421 1.7421 2.3317 2.3317 2.3317 2.3317 3.9957 3.9957 3.9957 3.9957 5.5819 5.5819 6.0053 6.0053 6.0053 6.0053 6.9646 6.9646 10.6551 10.6551 10.7326 10.7326 10.7326 10.7326 k = 0.0096-0.0056 0.0079 ( 1989 PWs) bands (ev): -8.1949 -8.1949 1.7413 1.7413 2.3300 2.3300 2.3319 2.3319 3.9939 3.9939 3.9974 3.9974 5.5796 5.5796 5.9979 5.9979 6.0034 6.0034 6.9752 6.9752 10.6558 10.6558 10.7305 10.7305 10.7361 10.7361 k = 0.0192-0.0111 0.0157 ( 1977 PWs) bands (ev): -8.1931 -8.1931 1.7386 1.7386 2.3258 2.3258 2.3319 2.3319 3.9920 3.9920 3.9990 3.9990 5.5728 5.5728 5.9777 5.9777 5.9965 5.9965 7.0061 7.0061 10.6545 10.6545 10.7277 10.7277 10.7463 10.7463 k = 0.0288-0.0167 0.0236 ( 1977 PWs) bands (ev): -8.1901 -8.1901 1.7341 1.7341 2.3189 2.3189 2.3316 2.3316 3.9898 3.9898 4.0005 4.0005 5.5615 5.5615 5.9467 5.9467 5.9851 5.9851 7.0547 7.0547 10.6424 10.6424 10.7333 10.7333 10.7633 10.7633 k = 0.0385-0.0222 0.0314 ( 1969 PWs) bands (ev): -8.1860 -8.1860 1.7276 1.7276 2.3094 2.3094 2.3314 2.3314 3.9874 3.9874 4.0019 4.0019 5.5458 5.5458 5.9081 5.9081 5.9694 5.9694 7.1180 7.1180 10.6152 10.6152 10.7525 10.7525 10.7869 10.7869 k = 0.0481-0.0278 0.0393 ( 1961 PWs) bands (ev): -8.1807 -8.1807 1.7192 1.7192 2.2975 2.2975 2.3310 2.3310 3.9847 3.9847 4.0033 4.0033 5.5260 5.5260 5.8644 5.8644 5.9495 5.9495 7.1930 7.1930 10.5756 10.5756 10.7828 10.7828 10.8171 10.8171 k = 0.0577-0.0333 0.0471 ( 1969 PWs) bands (ev): -8.1742 -8.1742 1.7087 1.7087 2.2834 2.2834 2.3304 2.3304 3.9816 3.9816 4.0046 4.0046 5.5021 5.5021 5.8177 5.8177 5.9255 5.9255 7.2771 7.2771 10.5270 10.5270 10.8221 10.8221 10.8536 10.8536 k = 0.0673-0.0389 0.0550 ( 1977 PWs) bands (ev): -8.1666 -8.1666 1.6959 1.6959 2.2674 2.2674 2.3298 2.3298 3.9782 3.9782 4.0059 4.0059 5.4745 5.4745 5.7696 5.7696 5.8978 5.8978 7.3684 7.3684 10.4713 10.4713 10.8691 10.8691 10.8964 10.8964 k = 0.0769-0.0444 0.0628 ( 1977 PWs) bands (ev): -8.1578 -8.1578 1.6807 1.6807 2.2498 2.2498 2.3291 2.3291 3.9746 3.9746 4.0074 4.0074 5.4438 5.4438 5.7212 5.7212 5.8668 5.8668 7.4654 7.4654 10.4099 10.4099 10.9231 10.9231 10.9451 10.9451 k = 0.0865-0.0500 0.0707 ( 1985 PWs) bands (ev): -8.1480 -8.1480 1.6630 1.6630 2.2310 2.2310 2.3283 2.3283 3.9707 3.9707 4.0088 4.0088 5.4103 5.4103 5.6729 5.6729 5.8325 5.8325 7.5667 7.5667 10.3441 10.3441 10.9835 10.9835 10.9997 10.9997 k = 0.0962-0.0555 0.0785 ( 1977 PWs) bands (ev): -8.1371 -8.1371 1.6427 1.6427 2.2114 2.2114 2.3275 2.3275 3.9666 3.9666 4.0105 4.0105 5.3747 5.3747 5.6252 5.6252 5.7956 5.7956 7.6713 7.6713 10.2748 10.2748 11.0499 11.0499 11.0600 11.0600 k = 0.1058-0.0611 0.0864 ( 1973 PWs) bands (ev): -8.1251 -8.1251 1.6195 1.6195 2.1913 2.1913 2.3266 2.3266 3.9623 3.9623 4.0121 4.0121 5.3375 5.3375 5.5779 5.5779 5.7561 5.7561 7.7784 7.7784 10.2030 10.2030 11.1212 11.1212 11.1263 11.1263 k = 0.1154-0.0666 0.0942 ( 1973 PWs) bands (ev): -8.1122 -8.1122 1.5935 1.5935 2.1710 2.1710 2.3257 2.3257 3.9576 3.9576 4.0137 4.0137 5.2992 5.2992 5.5310 5.5310 5.7145 5.7145 7.8870 7.8870 10.1294 10.1294 11.1940 11.1940 11.2016 11.2016 k = 0.1250-0.0722 0.1021 ( 1989 PWs) bands (ev): -8.0982 -8.0982 1.5644 1.5644 2.1507 2.1507 2.3246 2.3246 3.9525 3.9525 4.0153 4.0153 5.2601 5.2601 5.4844 5.4844 5.6709 5.6709 7.9963 7.9963 10.0546 10.0546 11.2696 11.2696 11.2840 11.2840 k = 0.1346-0.0777 0.1099 ( 1981 PWs) bands (ev): -8.0833 -8.0833 1.5324 1.5324 2.1310 2.1310 2.3236 2.3236 3.9474 3.9474 4.0172 4.0172 5.2209 5.2209 5.4382 5.4382 5.6258 5.6258 8.1057 8.1057 9.9793 9.9793 11.3494 11.3494 11.3715 11.3715 k = 0.1442-0.0833 0.1178 ( 1981 PWs) bands (ev): -8.0675 -8.0675 1.4974 1.4974 2.1119 2.1119 2.3226 2.3226 3.9420 3.9420 4.0191 4.0191 5.1816 5.1816 5.3921 5.3921 5.5795 5.5795 8.2143 8.2143 9.9040 9.9040 11.4334 11.4334 11.4635 11.4635 k = 0.1538-0.0888 0.1256 ( 1985 PWs) bands (ev): -8.0508 -8.0508 1.4597 1.4597 2.0936 2.0936 2.3214 2.3214 3.9363 3.9363 4.0210 4.0210 5.1427 5.1427 5.3461 5.3461 5.5322 5.5322 8.3211 8.3211 9.8291 9.8291 11.5214 11.5214 11.5597 11.5597 k = 0.1635-0.0944 0.1335 ( 1985 PWs) bands (ev): -8.0334 -8.0334 1.4193 1.4193 2.0761 2.0761 2.3203 2.3203 3.9306 3.9306 4.0230 4.0230 5.1041 5.1041 5.3003 5.3003 5.4841 5.4841 8.4254 8.4254 9.7551 9.7551 11.6131 11.6131 11.6599 11.6599 k = 0.1731-0.0999 0.1413 ( 1985 PWs) bands (ev): -8.0151 -8.0151 1.3765 1.3765 2.0595 2.0595 2.3192 2.3192 3.9247 3.9247 4.0251 4.0251 5.0659 5.0659 5.2546 5.2546 5.4356 5.4356 8.5262 8.5262 9.6823 9.6823 11.7084 11.7084 11.7637 11.7637 k = 0.1827-0.1055 0.1492 ( 1984 PWs) bands (ev): -7.9961 -7.9961 1.3316 1.3316 2.0438 2.0438 2.3180 2.3180 3.9188 3.9188 4.0273 4.0273 5.0283 5.0283 5.2092 5.2092 5.3868 5.3868 8.6224 8.6224 9.6111 9.6111 11.8069 11.8069 11.8709 11.8709 k = 0.1923-0.1110 0.1570 ( 1984 PWs) bands (ev): -7.9765 -7.9765 1.2849 1.2849 2.0290 2.0290 2.3169 2.3169 3.9128 3.9128 4.0295 4.0295 4.9911 4.9911 5.1640 5.1640 5.3379 5.3379 8.7129 8.7129 9.5418 9.5418 11.9082 11.9082 11.9814 11.9814 k = 0.2019-0.1166 0.1649 ( 1980 PWs) bands (ev): -7.9563 -7.9563 1.2365 1.2365 2.0150 2.0150 2.3158 2.3158 3.9067 3.9067 4.0317 4.0317 4.9545 4.9545 5.1193 5.1193 5.2893 5.2893 8.7965 8.7965 9.4749 9.4749 12.0121 12.0121 12.0949 12.0949 k = 0.2115-0.1221 0.1727 ( 1988 PWs) bands (ev): -7.9355 -7.9355 1.1869 1.1869 2.0018 2.0018 2.3147 2.3147 3.9007 3.9007 4.0339 4.0339 4.9181 4.9181 5.0750 5.0750 5.2410 5.2410 8.8719 8.8719 9.4110 9.4110 12.1180 12.1180 12.2112 12.2112 k = 0.2212-0.1277 0.1806 ( 1988 PWs) bands (ev): -7.9143 -7.9143 1.1363 1.1363 1.9892 1.9892 2.3136 2.3136 3.8947 3.8947 4.0362 4.0362 4.8821 4.8821 5.0314 5.0314 5.1933 5.1933 8.9373 8.9373 9.3509 9.3509 12.2252 12.2252 12.3302 12.3302 k = 0.2308-0.1332 0.1884 ( 1988 PWs) bands (ev): -7.8927 -7.8927 1.0850 1.0850 1.9774 1.9774 2.3125 2.3125 3.8889 3.8889 4.0385 4.0385 4.8465 4.8465 4.9884 4.9884 5.1463 5.1463 8.9905 8.9905 9.2963 9.2963 12.3326 12.3326 12.4516 12.4516 k = 0.2404-0.1388 0.1963 ( 1996 PWs) bands (ev): -7.8707 -7.8707 1.0333 1.0333 1.9661 1.9661 2.3114 2.3114 3.8830 3.8830 4.0407 4.0407 4.8110 4.8110 4.9462 4.9462 5.1000 5.1000 9.0273 9.0273 9.2508 9.2508 12.4383 12.4383 12.5753 12.5753 k = 0.2500-0.1443 0.2041 ( 1996 PWs) bands (ev): -7.8485 -7.8485 0.9814 0.9814 1.9554 1.9554 2.3104 2.3104 3.8775 3.8775 4.0430 4.0430 4.7757 4.7757 4.9050 4.9050 5.0549 5.0549 9.0412 9.0412 9.2208 9.2208 12.5394 12.5394 12.7010 12.7010 k = 0.2596-0.1499 0.2120 ( 1996 PWs) bands (ev): -7.8261 -7.8261 0.9296 0.9296 1.9452 1.9452 2.3095 2.3095 3.8723 3.8723 4.0452 4.0452 4.7405 4.7405 4.8649 4.8649 5.0108 5.0108 9.0284 9.0284 9.2101 9.2101 12.6323 12.6323 12.8284 12.8284 k = 0.2692-0.1554 0.2198 ( 1988 PWs) bands (ev): -7.8035 -7.8035 0.8781 0.8781 1.9355 1.9355 2.3086 2.3086 3.8673 3.8673 4.0475 4.0475 4.7053 4.7053 4.8260 4.8260 4.9681 4.9681 8.9970 8.9970 9.2106 9.2106 12.7157 12.7157 12.9559 12.9559 k = 0.2788-0.1610 0.2277 ( 1980 PWs) bands (ev): -7.7810 -7.7810 0.8271 0.8271 1.9262 1.9262 2.3078 2.3078 3.8626 3.8626 4.0497 4.0497 4.6702 4.6702 4.7882 4.7882 4.9266 4.9266 8.9579 8.9579 9.2122 9.2122 12.7934 12.7934 13.0740 13.0740 k = 0.2885-0.1665 0.2355 ( 1980 PWs) bands (ev): -7.7585 -7.7585 0.7768 0.7768 1.9173 1.9173 2.3070 2.3070 3.8583 3.8583 4.0518 4.0518 4.6352 4.6352 4.7517 4.7517 4.8866 4.8866 8.9168 8.9168 9.2100 9.2100 12.8715 12.8715 13.1880 13.1880 k = 0.2981-0.1721 0.2434 ( 1992 PWs) bands (ev): -7.7362 -7.7362 0.7275 0.7275 1.9088 1.9088 2.3062 2.3062 3.8544 3.8544 4.0536 4.0536 4.6004 4.6004 4.7163 4.7163 4.8480 4.8480 8.8761 8.8761 9.2024 9.2024 12.9542 12.9542 13.3088 13.3088 k = 0.3077-0.1776 0.2512 ( 1988 PWs) bands (ev): -7.7140 -7.7140 0.6792 0.6792 1.9007 1.9007 2.3055 2.3055 3.8511 3.8511 4.0555 4.0555 4.5658 4.5658 4.6824 4.6824 4.8111 4.8111 8.8369 8.8369 9.1892 9.1892 13.0434 13.0434 13.4353 13.4353 k = 0.3173-0.1832 0.2591 ( 1980 PWs) bands (ev): -7.6923 -7.6923 0.6322 0.6322 1.8930 1.8930 2.3049 2.3049 3.8482 3.8482 4.0572 4.0572 4.5315 4.5315 4.6498 4.6498 4.7760 4.7760 8.7997 8.7997 9.1712 9.1712 13.1395 13.1395 13.5658 13.5658 k = 0.3269-0.1887 0.2669 ( 1980 PWs) bands (ev): -7.6709 -7.6709 0.5866 0.5866 1.8857 1.8857 2.3043 2.3043 3.8459 3.8459 4.0587 4.0587 4.4977 4.4977 4.6184 4.6184 4.7425 4.7425 8.7649 8.7649 9.1489 9.1489 13.2420 13.2420 13.6992 13.6992 k = 0.3365-0.1943 0.2748 ( 1980 PWs) bands (ev): -7.6500 -7.6500 0.5426 0.5426 1.8787 1.8787 2.3038 2.3038 3.8441 3.8441 4.0600 4.0600 4.4645 4.4645 4.5882 4.5882 4.7107 4.7107 8.7326 8.7326 9.1231 9.1231 13.3500 13.3500 13.8350 13.8350 k = 0.3462-0.1999 0.2826 ( 1980 PWs) bands (ev): -7.6297 -7.6297 0.5003 0.5003 1.8721 1.8721 2.3034 2.3034 3.8429 3.8429 4.0611 4.0611 4.4321 4.4321 4.5594 4.5594 4.6808 4.6808 8.7028 8.7028 9.0948 9.0948 13.4626 13.4626 13.9725 13.9725 k = 0.3558-0.2054 0.2905 ( 1980 PWs) bands (ev): -7.6101 -7.6101 0.4598 0.4598 1.8659 1.8659 2.3030 2.3030 3.8424 3.8424 4.0619 4.0619 4.4005 4.4005 4.5319 4.5319 4.6527 4.6527 8.6757 8.6757 9.0645 9.0645 13.5786 13.5786 14.1112 14.1112 k = 0.3654-0.2110 0.2983 ( 1984 PWs) bands (ev): -7.5913 -7.5913 0.4214 0.4214 1.8600 1.8600 2.3027 2.3027 3.8425 3.8425 4.0623 4.0623 4.3700 4.3700 4.5057 4.5057 4.6265 4.6265 8.6513 8.6513 9.0330 9.0330 13.6969 13.6969 14.2506 14.2506 k = 0.3750-0.2165 0.3062 ( 1988 PWs) bands (ev): -7.5733 -7.5733 0.3850 0.3850 1.8545 1.8545 2.3024 2.3024 3.8434 3.8434 4.0624 4.0624 4.3407 4.3407 4.4809 4.4809 4.6021 4.6021 8.6295 8.6295 9.0010 9.0010 13.8164 13.8164 14.3903 14.3903 k = 0.3846-0.2221 0.3140 ( 1988 PWs) bands (ev): -7.5562 -7.5562 0.3508 0.3508 1.8494 1.8494 2.3021 2.3021 3.8450 3.8450 4.0621 4.0621 4.3128 4.3128 4.4575 4.4575 4.5795 4.5795 8.6102 8.6102 8.9688 8.9688 13.9359 13.9359 14.5296 14.5296 k = 0.3942-0.2276 0.3219 ( 1988 PWs) bands (ev): -7.5402 -7.5402 0.3190 0.3190 1.8447 1.8447 2.3020 2.3020 3.8474 3.8474 4.0612 4.0612 4.2864 4.2864 4.4357 4.4357 4.5588 4.5588 8.5936 8.5936 8.9371 8.9371 14.0542 14.0542 14.6678 14.6678 k = 0.4038-0.2332 0.3297 ( 1992 PWs) bands (ev): -7.5253 -7.5253 0.2896 0.2896 1.8403 1.8403 2.3018 2.3018 3.8506 3.8506 4.0596 4.0596 4.2618 4.2618 4.4155 4.4155 4.5400 4.5400 8.5794 8.5794 8.9062 8.9062 14.1701 14.1701 14.8043 14.8043 k = 0.4135-0.2387 0.3376 ( 1992 PWs) bands (ev): -7.5115 -7.5115 0.2627 0.2627 1.8364 1.8364 2.3017 2.3017 3.8544 3.8544 4.0572 4.0572 4.2392 4.2392 4.3970 4.3970 4.5229 4.5229 8.5676 8.5676 8.8765 8.8765 14.2822 14.2822 14.9379 14.9379 k = 0.4231-0.2443 0.3454 ( 1992 PWs) bands (ev): -7.4990 -7.4990 0.2384 0.2384 1.8328 1.8328 2.3016 2.3016 3.8590 3.8590 4.0540 4.0540 4.2189 4.2189 4.3802 4.3802 4.5078 4.5078 8.5581 8.5581 8.8484 8.8484 14.3891 14.3891 15.0676 15.0676 k = 0.4327-0.2498 0.3533 ( 2004 PWs) bands (ev): -7.4878 -7.4878 0.2167 0.2167 1.8297 1.8297 2.3015 2.3015 3.8641 3.8641 4.0495 4.0495 4.2010 4.2010 4.3651 4.3651 4.4943 4.4943 8.5507 8.5507 8.8222 8.8222 14.4894 14.4894 15.1918 15.1918 k = 0.4423-0.2554 0.3611 ( 2004 PWs) bands (ev): -7.4780 -7.4780 0.1978 0.1978 1.8269 1.8269 2.3014 2.3014 3.8697 3.8697 4.0441 4.0441 4.1859 4.1859 4.3520 4.3520 4.4827 4.4827 8.5453 8.5453 8.7983 8.7983 14.5813 14.5813 15.3087 15.3087 k = 0.4519-0.2609 0.3690 ( 2004 PWs) bands (ev): -7.4696 -7.4696 0.1817 0.1817 1.8246 1.8246 2.3014 2.3014 3.8756 3.8756 4.0378 4.0378 4.1736 4.1736 4.3408 4.3408 4.4730 4.4730 8.5416 8.5416 8.7770 8.7770 14.6632 14.6632 15.4161 15.4161 k = 0.4615-0.2665 0.3768 ( 1996 PWs) bands (ev): -7.4626 -7.4626 0.1685 0.1685 1.8227 1.8227 2.3014 2.3014 3.8817 3.8817 4.0309 4.0309 4.1640 4.1640 4.3317 4.3317 4.4651 4.4651 8.5393 8.5393 8.7587 8.7587 14.7333 14.7333 15.5112 15.5112 k = 0.4712-0.2720 0.3847 ( 1996 PWs) bands (ev): -7.4572 -7.4572 0.1582 0.1582 1.8212 1.8212 2.3014 2.3014 3.8873 3.8873 4.0241 4.0241 4.1570 4.1570 4.3245 4.3245 4.4589 4.4589 8.5381 8.5381 8.7438 8.7438 14.7900 14.7900 15.5908 15.5908 k = 0.4808-0.2776 0.3925 ( 1984 PWs) bands (ev): -7.4533 -7.4533 0.1508 0.1508 1.8202 1.8202 2.3014 2.3014 3.8920 3.8920 4.0185 4.0185 4.1524 4.1524 4.3194 4.3194 4.4545 4.4545 8.5377 8.5377 8.7327 8.7327 14.8318 14.8318 15.6513 15.6513 k = 0.4904-0.2831 0.4004 ( 1972 PWs) bands (ev): -7.4509 -7.4509 0.1463 0.1463 1.8196 1.8196 2.3014 2.3014 3.8953 3.8953 4.0145 4.0145 4.1497 4.1497 4.3164 4.3164 4.4520 4.4520 8.5376 8.5376 8.7259 8.7259 14.8573 14.8573 15.6893 15.6893 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -7.4501 -7.4501 0.1448 0.1448 1.8194 1.8194 2.3014 2.3014 3.8965 3.8965 4.0132 4.0132 4.1488 4.1488 4.3155 4.3155 4.4512 4.4512 8.5376 8.5376 8.7236 8.7236 14.8659 14.8659 15.7023 15.7023 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -7.4501 -7.4501 0.1448 0.1448 1.8194 1.8194 2.3014 2.3014 3.8965 3.8965 4.0132 4.0132 4.1488 4.1488 4.3155 4.3155 4.4512 4.4512 8.5376 8.5376 8.7236 8.7236 14.8659 14.8659 15.7023 15.7023 k = 0.5000-0.2776 0.4161 ( 1974 PWs) bands (ev): -7.4502 -7.4500 0.1415 0.1501 1.8129 1.8235 2.2997 2.3003 3.8960 3.8960 4.0011 4.0257 4.1462 4.1510 4.3054 4.3247 4.4507 4.4529 8.5409 8.5428 8.7215 8.7335 14.8249 14.8861 15.6496 15.7137 k = 0.5000-0.2665 0.4240 ( 1982 PWs) bands (ev): -7.4503 -7.4499 0.1400 0.1574 1.8040 1.8253 2.2950 2.2963 3.8943 3.8949 3.9901 4.0380 4.1433 4.1527 4.2955 4.3327 4.4513 4.4564 8.5527 8.5566 8.7272 8.7511 14.7663 14.8820 15.5844 15.6570 k = 0.5000-0.2554 0.4318 ( 1982 PWs) bands (ev): -7.4503 -7.4498 0.1404 0.1666 1.7925 1.8249 2.2877 2.2898 3.8914 3.8933 3.9807 4.0498 4.1402 4.1539 4.2866 4.3387 4.4528 4.4621 8.5729 8.5788 8.7407 8.7764 14.6931 14.8515 15.5042 15.5615 k = 0.5000-0.2443 0.4397 ( 1990 PWs) bands (ev): -7.4503 -7.4496 0.1427 0.1779 1.7785 1.8223 2.2777 2.2808 3.8869 3.8912 3.9733 4.0605 4.1368 4.1542 4.2791 4.3423 4.4548 4.4701 8.6012 8.6095 8.7620 8.8092 14.6075 14.7950 15.4020 15.4391 k = 0.5000-0.2332 0.4475 ( 1990 PWs) bands (ev): -7.4503 -7.4494 0.1467 0.1911 1.7617 1.8175 2.2653 2.2698 3.8810 3.8889 3.9679 4.0698 4.1331 4.1536 4.2737 4.3438 4.4576 4.4801 8.6376 8.6484 8.7910 8.8494 14.5112 14.7152 15.2763 15.2960 k = 0.5000-0.2221 0.4554 ( 1990 PWs) bands (ev): -7.4502 -7.4491 0.1524 0.2063 1.7420 1.8107 2.2509 2.2570 3.8741 3.8864 3.9644 4.0771 4.1292 4.1521 4.2704 4.3433 4.4611 4.4918 8.6816 8.6953 8.8278 8.8968 14.4057 14.6162 15.1306 15.1371 k = 0.5000-0.2110 0.4632 ( 1986 PWs) bands (ev): -7.4501 -7.4489 0.1598 0.2236 1.7194 1.8017 2.2348 2.2428 3.8665 3.8837 3.9624 4.0825 4.1251 4.1499 4.2692 4.3413 4.4653 4.5047 8.7330 8.7501 8.8721 8.9512 14.2922 14.5018 14.9663 14.9696 k = 0.5000-0.1999 0.4711 ( 1986 PWs) bands (ev): -7.4500 -7.4486 0.1687 0.2429 1.6939 1.7905 2.2175 2.2276 3.8586 3.8809 3.9616 4.0856 4.1206 4.1473 4.2695 4.3382 4.4702 4.5182 8.7911 8.8125 8.9241 9.0124 14.1718 14.3754 14.7868 14.7977 k = 0.5000-0.1887 0.4789 ( 1982 PWs) bands (ev): -7.4499 -7.4483 0.1791 0.2641 1.6654 1.7773 2.1992 2.2119 3.8509 3.8780 3.9617 4.0865 4.1158 4.1450 4.2709 4.3344 4.4760 4.5319 8.8556 8.8821 8.9836 9.0801 14.0456 14.2395 14.6011 14.6181 k = 0.5000-0.1776 0.4868 ( 1980 PWs) bands (ev): -7.4498 -7.4481 0.1908 0.2873 1.6339 1.7620 2.1805 2.1960 3.8434 3.8750 3.9623 4.0855 4.1107 4.1431 4.2728 4.3302 4.4826 4.5456 8.9257 8.9587 9.0506 9.1540 13.9144 14.0962 14.4113 14.4335 k = 0.5000-0.1665 0.4946 ( 1980 PWs) bands (ev): -7.4496 -7.4478 0.2037 0.3125 1.5995 1.7447 2.1617 2.1801 3.8364 3.8721 3.9634 4.0827 4.1054 4.1419 4.2747 4.3257 4.4898 4.5590 9.0008 9.0420 9.1250 9.2337 13.7792 13.9470 14.2191 14.2462 k = 0.5000-0.1554 0.5025 ( 1980 PWs) bands (ev): -7.4495 -7.4475 0.2177 0.3396 1.5624 1.7256 2.1433 2.1646 3.8298 3.8692 3.9649 4.0787 4.0998 4.1413 4.2764 4.3212 4.4975 4.5718 9.0802 9.1315 9.2068 9.3188 13.6409 13.7931 14.0259 14.0578 k = 0.5000-0.1443 0.5103 ( 1984 PWs) bands (ev): -7.4493 -7.4472 0.2326 0.3686 1.5228 1.7048 2.1255 2.1496 3.8239 3.8662 3.9667 4.0740 4.0940 4.1410 4.2776 4.3167 4.5057 4.5841 9.1631 9.2268 9.2956 9.4089 13.5002 13.6355 13.8330 13.8700 k = 0.5000-0.1332 0.5182 ( 1976 PWs) bands (ev): -7.4491 -7.4469 0.2482 0.3995 1.4809 1.6827 2.1086 2.1354 3.8186 3.8635 3.9688 4.0691 4.0881 4.1410 4.2784 4.3124 4.5141 4.5957 9.2489 9.3275 9.3911 9.5033 13.3578 13.4748 13.6419 13.6843 k = 0.5000-0.1221 0.5260 ( 1976 PWs) bands (ev): -7.4490 -7.4466 0.2643 0.4322 1.4369 1.6595 2.0928 2.1221 3.8138 3.8608 3.9711 4.0641 4.0820 4.1412 4.2788 4.3084 4.5224 4.6064 9.3368 9.4330 9.4928 9.6017 13.2142 13.3117 13.4541 13.5023 k = 0.5000-0.1110 0.5339 ( 1966 PWs) bands (ev): -7.4488 -7.4463 0.2807 0.4667 1.3912 1.6358 2.0783 2.1098 3.8095 3.8583 3.9737 4.0592 4.0759 4.1416 4.2788 4.3049 4.5306 4.6163 9.4262 9.5427 9.5999 9.7030 13.0694 13.1469 13.2715 13.3255 k = 0.5000-0.0999 0.5417 ( 1964 PWs) bands (ev): -7.4486 -7.4460 0.2971 0.5030 1.3440 1.6118 2.0651 2.0985 3.8058 3.8560 3.9764 4.0546 4.0698 4.1419 4.2785 4.3015 4.5383 4.6253 9.5162 9.6559 9.7116 9.8066 12.9228 12.9813 13.0970 13.1550 k = 0.5000-0.0888 0.5496 ( 1964 PWs) bands (ev): -7.4485 -7.4458 0.3132 0.5408 1.2956 1.5882 2.0533 2.0883 3.8025 3.8538 3.9792 4.0504 4.0637 4.1421 4.2780 4.2985 4.5456 4.6334 9.6057 9.7715 9.8269 9.9113 12.7733 12.8162 12.9341 12.9922 k = 0.5000-0.0777 0.5574 ( 1968 PWs) bands (ev): -7.4483 -7.4456 0.3286 0.5803 1.2463 1.5656 2.0429 2.0792 3.7997 3.8517 3.9821 4.0466 4.0576 4.1422 4.2773 4.2959 4.5522 4.6406 9.6932 9.8885 9.9445 10.0155 12.6207 12.6535 12.7862 12.8381 k = 0.5000-0.0666 0.5653 ( 1958 PWs) bands (ev): -7.4482 -7.4454 0.3430 0.6214 1.1963 1.5444 2.0340 2.0713 3.7974 3.8501 3.9852 4.0433 4.0519 4.1425 4.2767 4.2937 4.5581 4.6467 9.7771 10.0050 10.0626 10.1176 12.4671 12.4958 12.6546 12.6939 k = 0.5000-0.0555 0.5731 ( 1962 PWs) bands (ev): -7.4481 -7.4452 0.3560 0.6639 1.1460 1.5253 2.0264 2.0646 3.7954 3.8485 3.9884 4.0404 4.0463 4.1426 4.2760 4.2918 4.5632 4.6520 9.8554 10.1187 10.1789 10.2151 12.3172 12.3462 12.5393 12.5616 k = 0.5000-0.0444 0.5810 ( 1966 PWs) bands (ev): -7.4480 -7.4451 0.3674 0.7077 1.0956 1.5088 2.0202 2.0591 3.7937 3.8472 3.9915 4.0381 4.0411 4.1427 4.2753 4.2902 4.5674 4.6562 9.9254 10.2262 10.2901 10.3046 12.1767 12.2088 12.4407 12.4438 k = 0.5000-0.0333 0.5888 ( 1970 PWs) bands (ev): -7.4479 -7.4450 0.3766 0.7527 1.0452 1.4954 2.0155 2.0548 3.7925 3.8461 3.9944 4.0362 4.0365 4.1428 4.2748 4.2890 4.5707 4.6596 9.9844 10.3228 10.3821 10.3909 12.0521 12.0890 12.3444 12.3604 k = 0.5000-0.0222 0.5967 ( 1970 PWs) bands (ev): -7.4479 -7.4449 0.3835 0.7987 0.9954 1.4854 2.0121 2.0517 3.7917 3.8454 3.9971 4.0327 4.0349 4.1428 4.2744 4.2881 4.5731 4.6619 10.0294 10.4019 10.4425 10.4742 11.9514 11.9937 12.2678 12.3004 k = 0.5000-0.0111 0.6045 ( 1964 PWs) bands (ev): -7.4478 -7.4448 0.3877 0.8452 0.9466 1.4794 2.0100 2.0498 3.7912 3.8450 3.9990 4.0301 4.0342 4.1429 4.2742 4.2877 4.5746 4.6634 10.0577 10.4556 10.4803 10.5304 11.8846 11.9313 12.2192 12.2633 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -7.4478 -7.4448 0.3891 0.8816 0.9094 1.4773 2.0093 2.0492 3.7910 3.8449 3.9997 4.0292 4.0339 4.1429 4.2741 4.2875 4.5751 4.6639 10.0674 10.4753 10.4927 10.5505 11.8609 11.9095 12.2024 12.2507 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -7.4478 -7.4448 0.3891 0.8816 0.9094 1.4773 2.0093 2.0492 3.7910 3.8449 3.9997 4.0292 4.0339 4.1429 4.2741 4.2875 4.5751 4.6639 10.0674 10.4753 10.4927 10.5505 11.8609 11.9095 12.2024 12.2507 k = 0.4934 0.0114 0.6124 ( 1964 PWs) bands (ev): -7.4480 -7.4450 0.3884 0.8599 0.9313 1.4782 2.0102 2.0500 3.7905 3.8457 3.9997 4.0267 4.0374 4.1432 4.2726 4.2895 4.5752 4.6640 10.0602 10.4598 10.4792 10.5552 11.8657 11.9128 12.2202 12.2671 k = 0.4868 0.0228 0.6124 ( 1968 PWs) bands (ev): -7.4485 -7.4455 0.3865 0.8299 0.9621 1.4805 2.0129 2.0524 3.7890 3.8480 3.9993 4.0237 4.0432 4.1442 4.2690 4.2942 4.5755 4.6642 10.0364 10.3990 10.4613 10.5659 11.8858 11.9305 12.2651 12.3087 k = 0.4803 0.0342 0.6124 ( 1970 PWs) bands (ev): -7.4492 -7.4462 0.3835 0.8003 0.9924 1.4840 2.0174 2.0565 3.7866 3.8517 3.9984 4.0221 4.0501 4.1458 4.2647 4.3003 4.5759 4.6646 9.9934 10.3091 10.4414 10.5753 11.9231 11.9705 12.3273 12.3674 k = 0.4737 0.0456 0.6124 ( 1966 PWs) bands (ev): -7.4502 -7.4472 0.3793 0.7720 1.0213 1.4882 2.0237 2.0622 3.7834 3.8564 3.9970 4.0223 4.0575 4.1481 4.2604 4.3075 4.5764 4.6651 9.9310 10.2014 10.4223 10.5819 11.9762 12.0332 12.4003 12.4386 k = 0.4671 0.0570 0.6124 ( 1962 PWs) bands (ev): -7.4513 -7.4484 0.3744 0.7452 1.0485 1.4929 2.0319 2.0694 3.7798 3.8616 3.9954 4.0242 4.0653 4.1511 4.2560 4.3155 4.5771 4.6656 9.8520 10.0831 10.4062 10.5855 12.0435 12.1144 12.4801 12.5200 k = 0.4605 0.0684 0.6124 ( 1964 PWs) bands (ev): -7.4526 -7.4497 0.3687 0.7199 1.0736 1.4976 2.0417 2.0781 3.7759 3.8666 3.9938 4.0276 4.0730 4.1548 4.2517 4.3244 4.5777 4.6662 9.7610 9.9595 10.3935 10.5867 12.1233 12.2099 12.5643 12.6095 k = 0.4539 0.0798 0.6124 ( 1966 PWs) bands (ev): -7.4540 -7.4511 0.3625 0.6962 1.0966 1.5022 2.0529 2.0880 3.7719 3.8714 3.9925 4.0323 4.0804 4.1593 4.2475 4.3340 4.5784 4.6667 9.6630 9.8347 10.3834 10.5860 12.2133 12.3160 12.6515 12.7053 k = 0.4474 0.0912 0.6124 ( 1968 PWs) bands (ev): -7.4554 -7.4526 0.3561 0.6742 1.1172 1.5065 2.0653 2.0988 3.7680 3.8755 3.9916 4.0382 4.0872 4.1648 4.2436 4.3443 4.5790 4.6672 9.5623 9.7117 10.3752 10.5838 12.3114 12.4303 12.7407 12.8055 k = 0.4408 0.1026 0.6124 ( 1968 PWs) bands (ev): -7.4568 -7.4540 0.3496 0.6540 1.1355 1.5104 2.0786 2.1103 3.7642 3.8788 3.9911 4.0451 4.0933 4.1711 4.2401 4.3553 4.5797 4.6675 9.4623 9.5928 10.3682 10.5806 12.4158 12.5508 12.8308 12.9086 k = 0.4342 0.1140 0.6124 ( 1965 PWs) bands (ev): -7.4582 -7.4555 0.3431 0.6356 1.1516 1.5137 2.0923 2.1221 3.7607 3.8813 3.9910 4.0528 4.0985 4.1779 4.2370 4.3666 4.5805 4.6678 9.3658 9.4798 10.3621 10.5767 12.5248 12.6761 12.9210 13.0132 k = 0.4276 0.1253 0.6124 ( 1966 PWs) bands (ev): -7.4596 -7.4568 0.3369 0.6191 1.1655 1.5165 2.1061 2.1337 3.7574 3.8830 3.9911 4.0609 4.1031 4.1848 4.2348 4.3781 4.5813 4.6678 9.2751 9.3743 10.3567 10.5725 12.6369 12.8045 13.0100 13.1180 k = 0.4211 0.1367 0.6124 ( 1972 PWs) bands (ev): -7.4608 -7.4581 0.3311 0.6044 1.1773 1.5188 2.1195 2.1449 3.7544 3.8841 3.9913 4.0689 4.1069 4.1910 4.2336 4.3894 4.5821 4.6677 9.1918 9.2775 10.3519 10.5682 12.7503 12.9340 13.0972 13.2220 k = 0.4145 0.1481 0.6124 ( 1972 PWs) bands (ev): -7.4620 -7.4593 0.3257 0.5916 1.1872 1.5206 2.1322 2.1553 3.7517 3.8847 3.9915 4.0765 4.1103 4.1958 4.2343 4.4001 4.5831 4.6675 9.1174 9.1905 10.3476 10.5642 12.8631 13.0602 13.1839 13.3241 k = 0.4079 0.1595 0.6124 ( 1974 PWs) bands (ev): -7.4630 -7.4603 0.3211 0.5807 1.1953 1.5220 2.1437 2.1646 3.7494 3.8849 3.9918 4.0832 4.1134 4.1986 4.2369 4.4100 4.5841 4.6671 9.0532 9.1144 10.3439 10.5604 12.9729 13.1729 13.2768 13.4232 k = 0.4013 0.1709 0.6124 ( 1974 PWs) bands (ev): -7.4638 -7.4612 0.3171 0.5718 1.2017 1.5231 2.1537 2.1725 3.7476 3.8850 3.9921 4.0888 4.1162 4.1996 4.2409 4.4186 4.5853 4.6666 9.0002 9.0500 10.3408 10.5572 13.0766 13.2568 13.3865 13.5184 k = 0.3947 0.1823 0.6124 ( 1964 PWs) bands (ev): -7.4645 -7.4619 0.3140 0.5649 1.2065 1.5238 2.1619 2.1788 3.7462 3.8850 3.9924 4.0931 4.1188 4.1996 4.2454 4.4257 4.5864 4.6661 8.9590 8.9982 10.3384 10.5546 13.1700 13.3126 13.5062 13.6084 k = 0.3882 0.1937 0.6124 ( 1968 PWs) bands (ev): -7.4650 -7.4624 0.3117 0.5599 1.2099 1.5243 2.1680 2.1834 3.7451 3.8849 3.9926 4.0960 4.1209 4.1990 4.2491 4.4308 4.5873 4.6655 8.9303 8.9596 10.3366 10.5526 13.2484 13.3458 13.6213 13.6896 k = 0.3816 0.2051 0.6124 ( 1958 PWs) bands (ev): -7.4653 -7.4627 0.3103 0.5569 1.2119 1.5246 2.1717 2.1862 3.7445 3.8849 3.9928 4.0977 4.1224 4.1986 4.2517 4.4340 4.5881 4.6653 8.9138 8.9352 10.3355 10.5514 13.3071 13.3571 13.7144 13.7513 k = 0.3750 0.2165 0.6124 ( 1954 PWs) bands (ev): -7.4654 -7.4628 0.3098 0.5559 1.2125 1.5247 2.1730 2.1871 3.7443 3.8849 3.9928 4.0983 4.1229 4.1984 4.2526 4.4351 4.5884 4.6652 8.9087 8.9267 10.3352 10.5511 13.3379 13.3502 13.7554 13.7739 k = 0.3750 0.2165 0.6124 ( 1954 PWs) bands (ev): -7.4654 -7.4628 0.3098 0.5559 1.2125 1.5247 2.1730 2.1871 3.7443 3.8849 3.9928 4.0983 4.1229 4.1984 4.2526 4.4351 4.5884 4.6652 8.9087 8.9267 10.3352 10.5511 13.3379 13.3502 13.7554 13.7739 k = 0.3683 0.2126 0.6014 ( 1963 PWs) bands (ev): -7.4690 -7.4664 0.3236 0.5952 1.1637 1.5031 2.1749 2.1886 3.7420 3.8844 3.9905 4.0987 4.1327 4.2017 4.2561 4.4320 4.6108 4.6873 8.9362 8.9577 10.4521 10.6860 13.2497 13.3066 13.6407 13.6677 k = 0.3616 0.2088 0.5905 ( 1971 PWs) bands (ev): -7.4732 -7.4705 0.3367 0.6357 1.1162 1.4848 2.1776 2.1907 3.7407 3.8842 3.9891 4.0964 4.1457 4.2037 4.2610 4.4284 4.6344 4.7105 8.9643 8.9894 10.5590 10.8115 13.1638 13.2697 13.5290 13.5638 k = 0.3549 0.2049 0.5796 ( 1971 PWs) bands (ev): -7.4780 -7.4753 0.3488 0.6776 1.0704 1.4701 2.1809 2.1934 3.7407 3.8841 3.9886 4.0933 4.1601 4.2043 4.2676 4.4246 4.6593 4.7347 8.9926 9.0218 10.6537 10.9245 13.0788 13.2346 13.4211 13.4614 k = 0.3482 0.2010 0.5686 ( 1971 PWs) bands (ev): -7.4834 -7.4807 0.3600 0.7206 1.0267 1.4595 2.1847 2.1966 3.7417 3.8843 3.9891 4.0899 4.1752 4.2035 4.2759 4.4204 4.6851 4.7599 9.0211 9.0546 10.7346 11.0222 12.9930 13.1936 13.3181 13.3593 k = 0.3415 0.1972 0.5577 ( 1967 PWs) bands (ev): -7.4895 -7.4868 0.3701 0.7646 0.9855 1.4532 2.1889 2.2002 3.7438 3.8846 3.9906 4.0866 4.1909 4.2017 4.2856 4.4161 4.7119 4.7861 9.0493 9.0876 10.8009 11.1025 12.9049 13.1372 13.2217 13.2568 k = 0.3348 0.1933 0.5468 ( 1963 PWs) bands (ev): -7.4963 -7.4936 0.3793 0.8093 0.9472 1.4513 2.1935 2.2040 3.7470 3.8851 3.9931 4.0834 4.1990 4.2070 4.2966 4.4118 4.7397 4.8131 9.0770 9.1206 10.8524 11.1643 12.8137 13.0614 13.1307 13.1539 k = 0.3281 0.1894 0.5358 ( 1965 PWs) bands (ev): -7.5039 -7.5012 0.3877 0.8533 0.9134 1.4538 2.1983 2.2082 3.7511 3.8855 3.9966 4.0802 4.1957 4.2234 4.3087 4.4075 4.7682 4.8410 9.1038 9.1532 10.8903 11.2078 12.7191 12.9735 13.0377 13.0513 k = 0.3214 0.1856 0.5249 ( 1973 PWs) bands (ev): -7.5122 -7.5096 0.3955 0.8703 0.9103 1.4606 2.2033 2.2125 3.7561 3.8860 4.0011 4.0772 4.1920 4.2401 4.3217 4.4032 4.7974 4.8695 9.1293 9.1850 10.9161 11.2346 12.6214 12.8820 12.9380 12.9498 k = 0.3147 0.1817 0.5140 ( 1973 PWs) bands (ev): -7.5213 -7.5187 0.4030 0.8449 0.9536 1.4715 2.2085 2.2170 3.7621 3.8864 4.0066 4.0745 4.1885 4.2572 4.3357 4.3994 4.8274 4.8988 9.1531 9.2158 10.9320 11.2473 12.5211 12.7903 12.8322 12.8505 k = 0.3080 0.1778 0.5030 ( 1975 PWs) bands (ev): -7.5312 -7.5287 0.4105 0.8194 1.0009 1.4861 2.2137 2.2216 3.7690 3.8867 4.0129 4.0720 4.1853 4.2745 4.3506 4.3960 4.8581 4.9287 9.1747 9.2450 10.9406 11.2488 12.4187 12.6989 12.7234 12.7538 k = 0.3013 0.1740 0.4921 ( 1979 PWs) bands (ev): -7.5419 -7.5394 0.4183 0.7970 1.0490 1.5041 2.2191 2.2262 3.7768 3.8870 4.0198 4.0697 4.1828 4.2918 4.3664 4.3934 4.8893 4.9591 9.1935 9.2721 10.9440 11.2422 12.3148 12.6010 12.6211 12.6603 k = 0.2946 0.1701 0.4811 ( 1967 PWs) bands (ev): -7.5535 -7.5510 0.4269 0.7781 1.0974 1.5251 2.2245 2.2310 3.7854 3.8873 4.0271 4.0680 4.1816 4.3092 4.3831 4.3921 4.9211 4.9901 9.2091 9.2965 10.9446 11.2305 12.2100 12.4906 12.5328 12.5701 k = 0.2879 0.1662 0.4702 ( 1967 PWs) bands (ev): -7.5658 -7.5634 0.4366 0.7629 1.1460 1.5487 2.2299 2.2357 3.7946 3.8874 4.0340 4.0664 4.1823 4.3260 4.3925 4.4006 4.9532 5.0215 9.2209 9.3178 10.9442 11.2162 12.1050 12.3778 12.4497 12.4834 k = 0.2812 0.1624 0.4593 ( 1971 PWs) bands (ev): -7.5789 -7.5766 0.4476 0.7514 1.1944 1.5744 2.2352 2.2404 3.8043 3.8875 4.0399 4.0652 4.1853 4.3414 4.3957 4.4190 4.9858 5.0532 9.2285 9.3352 10.9445 11.2015 12.0003 12.2654 12.3697 12.4000 k = 0.2746 0.1585 0.4483 ( 1971 PWs) bands (ev): -7.5928 -7.5906 0.4604 0.7437 1.2426 1.6018 2.2405 2.2451 3.8145 3.8876 4.0444 4.0643 4.1917 4.3541 4.4034 4.4384 5.0186 5.0852 9.2315 9.3482 10.9468 11.1883 11.8965 12.1545 12.2924 12.3199 k = 0.2679 0.1546 0.4374 ( 1971 PWs) bands (ev): -7.6075 -7.6054 0.4750 0.7398 1.2904 1.6305 2.2458 2.2497 3.8250 3.8877 4.0470 4.0637 4.2016 4.3635 4.4164 4.4589 5.0517 5.1174 9.2296 9.3562 10.9520 11.1779 11.7941 12.0459 12.2177 12.2429 k = 0.2612 0.1508 0.4265 ( 1965 PWs) bands (ev): -7.6229 -7.6209 0.4918 0.7398 1.3375 1.6602 2.2510 2.2543 3.8358 3.8879 4.0478 4.0635 4.2153 4.3708 4.4339 4.4804 5.0849 5.1498 9.2226 9.3588 10.9605 11.1714 11.6936 11.9399 12.1455 12.1688 k = 0.2545 0.1469 0.4155 ( 1965 PWs) bands (ev): -7.6390 -7.6371 0.5109 0.7436 1.3839 1.6903 2.2561 2.2587 3.8464 3.8882 4.0466 4.0635 4.2325 4.3779 4.4542 4.5032 5.1182 5.1821 9.2104 9.3556 10.9726 11.1696 11.5955 11.8374 12.0757 12.0976 k = 0.2478 0.1430 0.4046 ( 1971 PWs) bands (ev): -7.6558 -7.6540 0.5325 0.7511 1.4293 1.7207 2.2612 2.2631 3.8568 3.8885 4.0440 4.0637 4.2528 4.3858 4.4767 4.5273 5.1514 5.2144 9.1932 9.3463 10.9878 11.1724 11.5006 11.7390 12.0083 12.0289 k = 0.2411 0.1392 0.3937 ( 1969 PWs) bands (ev): -7.6732 -7.6715 0.5566 0.7623 1.4737 1.7509 2.2662 2.2673 3.8669 3.8891 4.0404 4.0641 4.2760 4.3956 4.5009 4.5528 5.1847 5.2467 9.1712 9.3310 11.0052 11.1792 11.4100 11.6458 11.9430 11.9627 k = 0.2344 0.1353 0.3827 ( 1973 PWs) bands (ev): -7.6912 -7.6896 0.5832 0.7771 1.5167 1.7806 2.2711 2.2714 3.8764 3.8898 4.0360 4.0644 4.3016 4.4074 4.5266 4.5799 5.2177 5.2787 9.1445 9.3097 11.0230 11.1864 11.3275 11.5595 11.8799 11.8987 k = 0.2277 0.1315 0.3718 ( 1973 PWs) bands (ev): -7.7097 -7.7082 0.6125 0.7953 1.5585 1.8097 2.2754 2.2759 3.8855 3.8907 4.0312 4.0647 4.3291 4.4217 4.5540 4.6088 5.2505 5.3105 9.1135 9.2825 11.0382 11.1755 11.2715 11.4830 11.8188 11.8370 k = 0.2210 0.1276 0.3609 ( 1981 PWs) bands (ev): -7.7287 -7.7273 0.6443 0.8169 1.5987 1.8378 2.2793 2.2807 3.8918 3.8938 4.0261 4.0648 4.3584 4.4386 4.5829 4.6394 5.2831 5.3419 9.0786 9.2498 11.0453 11.1199 11.2683 11.4211 11.7596 11.7772 k = 0.2143 0.1237 0.3499 ( 1977 PWs) bands (ev): -7.7480 -7.7467 0.6787 0.8418 1.6374 1.8649 2.2830 2.2854 3.8932 3.9016 4.0211 4.0647 4.3892 4.4581 4.6137 4.6722 5.3152 5.3730 9.0400 9.2119 11.0375 11.0477 11.2892 11.3803 11.7023 11.7194 k = 0.2076 0.1199 0.3390 ( 1981 PWs) bands (ev): -7.7677 -7.7665 0.7155 0.8696 1.6744 1.8907 2.2866 2.2901 3.8948 3.9087 4.0160 4.0642 4.4211 4.4803 4.6463 4.7070 5.3470 5.4035 8.9981 9.1691 10.9749 11.0101 11.3174 11.3644 11.6468 11.6635 k = 0.2009 0.1160 0.3281 ( 1973 PWs) bands (ev): -7.7877 -7.7866 0.7546 0.9003 1.7098 1.9151 2.2901 2.2947 3.8968 3.9152 4.0112 4.0635 4.4543 4.5051 4.6809 4.7441 5.3783 5.4336 8.9532 9.1219 10.9051 10.9662 11.3485 11.3697 11.5931 11.6095 k = 0.1942 0.1121 0.3171 ( 1973 PWs) bands (ev): -7.8079 -7.8069 0.7960 0.9336 1.7435 1.9380 2.2934 2.2993 3.8989 3.9212 4.0065 4.0624 4.4882 4.5320 4.7176 4.7834 5.4090 5.4631 8.9055 9.0706 10.8391 10.9130 11.3803 11.3879 11.5414 11.5578 k = 0.1875 0.1083 0.3062 ( 1977 PWs) bands (ev): -7.8282 -7.8273 0.8393 0.9694 1.7755 1.9594 2.2966 2.3037 3.9012 3.9266 4.0020 4.0609 4.5228 4.5611 4.7564 4.8248 5.4391 5.4920 8.8552 9.0155 10.7775 10.8562 11.4096 11.4108 11.4933 11.5098 k = 0.1808 0.1044 0.2953 ( 1977 PWs) bands (ev): -7.8486 -7.8477 0.8845 1.0073 1.8058 1.9793 2.2997 2.3081 3.9038 3.9316 3.9980 4.0592 4.5582 4.5921 4.7974 4.8684 5.4686 5.5202 8.8024 8.9569 10.7207 10.7995 11.4191 11.4231 11.4633 11.4775 k = 0.1741 0.1005 0.2843 ( 1977 PWs) bands (ev): -7.8689 -7.8682 0.9313 1.0470 1.8346 1.9978 2.3025 2.3123 3.9066 3.9364 3.9943 4.0572 4.5943 4.6248 4.8405 4.9141 5.4975 5.5477 8.7473 8.8951 10.6688 10.7450 11.3836 11.3939 11.4777 11.4864 k = 0.1674 0.0967 0.2734 ( 1977 PWs) bands (ev): -7.8892 -7.8886 0.9795 1.0883 1.8619 2.0149 2.3053 2.3164 3.9097 3.9408 3.9910 4.0551 4.6312 4.6592 4.8855 4.9614 5.5256 5.5745 8.6899 8.8303 10.6220 10.6938 11.3389 11.3503 11.4995 11.5068 k = 0.1607 0.0928 0.2624 ( 1977 PWs) bands (ev): -7.9094 -7.9088 1.0288 1.1309 1.8878 2.0308 2.3078 2.3202 3.9129 3.9450 3.9880 4.0527 4.6689 4.6951 4.9323 5.0102 5.5531 5.6006 8.6302 8.7626 10.5804 10.6467 11.2941 11.3055 11.5179 11.5241 k = 0.1540 0.0889 0.2515 ( 1971 PWs) bands (ev): -7.9293 -7.9287 1.0789 1.1744 1.9125 2.0456 2.3102 2.3238 3.9165 3.9490 3.9855 4.0503 4.7075 4.7324 4.9807 5.0602 5.5799 5.6260 8.5683 8.6924 10.5441 10.6043 11.2502 11.2613 11.5303 11.5353 k = 0.1473 0.0851 0.2406 ( 1967 PWs) bands (ev): -7.9489 -7.9484 1.1294 1.2184 1.9362 2.0595 2.3125 2.3272 3.9201 3.9529 3.9833 4.0478 4.7472 4.7713 5.0303 5.1111 5.6060 5.6507 8.5043 8.6196 10.5131 10.5668 11.2075 11.2182 11.5352 11.5389 k = 0.1406 0.0812 0.2296 ( 1965 PWs) bands (ev): -7.9682 -7.9678 1.1800 1.2625 1.9591 2.0727 2.3145 2.3302 3.9239 3.9566 3.9816 4.0453 4.7880 4.8116 5.0809 5.1624 5.6314 5.6746 8.4381 8.5445 10.4875 10.5345 11.1661 11.1763 11.5316 11.5340 k = 0.1339 0.0773 0.2187 ( 1971 PWs) bands (ev): -7.9870 -7.9867 1.2304 1.3063 1.9813 2.0852 2.3163 2.3329 3.9277 3.9601 3.9802 4.0426 4.8300 4.8534 5.1320 5.2137 5.6561 5.6978 8.3697 8.4672 10.4673 10.5076 11.1261 11.1358 11.5189 11.5200 k = 0.1272 0.0735 0.2078 ( 1971 PWs) bands (ev): -8.0054 -8.0051 1.2801 1.3495 2.0031 2.0976 2.3180 2.3352 3.9317 3.9635 3.9791 4.0400 4.8734 4.8967 5.1833 5.2648 5.6802 5.7205 8.2991 8.3878 10.4523 10.4862 11.0875 11.0966 11.4968 11.4970 k = 0.1205 0.0696 0.1968 ( 1971 PWs) bands (ev): -8.0232 -8.0229 1.3287 1.3916 2.0246 2.1098 2.3195 2.3372 3.9357 3.9668 3.9784 4.0375 4.9182 4.9416 5.2345 5.3151 5.7037 5.7426 8.2264 8.3065 10.4425 10.4703 11.0505 11.0590 11.4648 11.4660 k = 0.1138 0.0657 0.1859 ( 1975 PWs) bands (ev): -8.0404 -8.0401 1.3758 1.4321 2.0461 2.1221 2.3208 2.3387 3.9397 3.9700 3.9780 4.0349 4.9644 4.9880 5.2852 5.3644 5.7267 5.7642 8.1517 8.2233 10.4378 10.4599 11.0150 11.0229 11.4247 11.4268 k = 0.1071 0.0619 0.1750 ( 1975 PWs) bands (ev): -8.0569 -8.0567 1.4211 1.4708 2.0677 2.1348 2.3220 2.3400 3.9439 3.9731 3.9780 4.0324 5.0122 5.0358 5.3351 5.4123 5.7493 5.7854 8.0749 8.1384 10.4380 10.4548 10.9812 10.9884 11.3776 11.3804 k = 0.1004 0.0580 0.1640 ( 1977 PWs) bands (ev): -8.0727 -8.0725 1.4639 1.5071 2.0896 2.1480 2.3230 2.3408 3.9480 3.9761 3.9782 4.0299 5.0612 5.0850 5.3840 5.4585 5.7714 5.8062 7.9962 8.0520 10.4428 10.4548 10.9490 10.9556 11.3249 11.3283 k = 0.0938 0.0541 0.1531 ( 1977 PWs) bands (ev): -8.0877 -8.0876 1.5041 1.5410 2.1117 2.1619 2.3239 2.3414 3.9520 3.9786 3.9789 4.0275 5.1115 5.1352 5.4318 5.5030 5.7932 5.8267 7.9158 7.9642 10.4519 10.4598 10.9187 10.9246 11.2681 11.2718 k = 0.0871 0.0503 0.1422 ( 1981 PWs) bands (ev): -8.1019 -8.1018 1.5412 1.5720 2.1341 2.1764 2.3246 2.3416 3.9560 3.9793 3.9815 4.0251 5.1628 5.1862 5.4783 5.5455 5.8147 5.8469 7.8338 7.8754 10.4651 10.4693 10.8901 10.8954 11.2089 11.2127 k = 0.0804 0.0464 0.1312 ( 1987 PWs) bands (ev): -8.1152 -8.1152 1.5751 1.6002 2.1566 2.1916 2.3252 2.3415 3.9599 3.9801 3.9840 4.0227 5.2146 5.2375 5.5237 5.5862 5.8358 5.8667 7.7506 7.7857 10.4818 10.4829 10.8635 10.8680 11.1486 11.1523 k = 0.0737 0.0425 0.1203 ( 1987 PWs) bands (ev): -8.1277 -8.1276 1.6055 1.6254 2.1791 2.2075 2.3258 2.3412 3.9637 3.9813 3.9863 4.0204 5.2665 5.2882 5.5684 5.6255 5.8566 5.8862 7.6663 7.6955 10.5001 10.5015 10.8388 10.8425 11.0888 11.0923 k = 0.0670 0.0387 0.1094 ( 1979 PWs) bands (ev): -8.1391 -8.1391 1.6325 1.6477 2.2012 2.2237 2.3263 2.3408 3.9674 3.9826 3.9885 4.0182 5.3175 5.3375 5.6129 5.6638 5.8769 5.9050 7.5816 7.6054 10.5202 10.5236 10.8160 10.8190 11.0308 11.0338 k = 0.0603 0.0348 0.0984 ( 1979 PWs) bands (ev): -8.1496 -8.1496 1.6559 1.6672 2.2227 2.2401 2.3267 2.3401 3.9709 3.9840 3.9904 4.0160 5.3666 5.3843 5.6579 5.7018 5.8966 5.9231 7.4969 7.5158 10.5425 10.5473 10.7954 10.7975 10.9758 10.9782 k = 0.0536 0.0309 0.0875 ( 1979 PWs) bands (ev): -8.1591 -8.1591 1.6761 1.6841 2.2431 2.2563 2.3272 2.3393 3.9743 3.9855 3.9921 4.0137 5.4126 5.4272 5.7040 5.7404 5.9154 5.9401 7.4130 7.4275 10.5660 10.5717 10.7768 10.7781 10.9247 10.9264 k = 0.0469 0.0271 0.0765 ( 1975 PWs) bands (ev): -8.1675 -8.1675 1.6931 1.6985 2.2622 2.2719 2.3276 2.3384 3.9774 3.9871 3.9935 4.0115 5.4541 5.4653 5.7517 5.7804 5.9332 5.9557 7.3308 7.3415 10.5897 10.5958 10.7605 10.7609 10.8785 10.8795 k = 0.0402 0.0232 0.0656 ( 1973 PWs) bands (ev): -8.1749 -8.1749 1.7071 1.7105 2.2795 2.2865 2.3280 2.3375 3.9805 3.9886 3.9947 4.0093 5.4902 5.4979 5.8007 5.8220 5.9496 5.9696 7.2515 7.2590 10.6122 10.6183 10.7462 10.7467 10.8382 10.8382 k = 0.0335 0.0193 0.0547 ( 1965 PWs) bands (ev): -8.1811 -8.1811 1.7185 1.7205 2.2948 2.2996 2.3286 2.3365 3.9834 3.9902 3.9957 4.0072 5.5200 5.5247 5.8498 5.8646 5.9644 5.9817 7.1769 7.1816 10.6320 10.6374 10.7347 10.7357 10.8034 10.8042 k = 0.0268 0.0155 0.0437 ( 1969 PWs) bands (ev): -8.1863 -8.1863 1.7274 1.7284 2.3077 2.3109 2.3290 2.3355 3.9861 3.9916 3.9963 4.0049 5.5435 5.5460 5.8971 5.9066 5.9773 5.9914 7.1089 7.1116 10.6469 10.6509 10.7276 10.7286 10.7757 10.7772 k = 0.0201 0.0116 0.0328 ( 1969 PWs) bands (ev): -8.1903 -8.1903 1.7341 1.7345 2.3179 2.3200 2.3296 2.3345 3.9887 3.9930 3.9966 4.0027 5.5609 5.5620 5.9397 5.9453 5.9880 5.9988 7.0503 7.0515 10.6550 10.6572 10.7260 10.7263 10.7553 10.7571 k = 0.0134 0.0077 0.0219 ( 1977 PWs) bands (ev): -8.1932 -8.1932 1.7386 1.7388 2.3254 2.3266 2.3303 2.3335 3.9911 3.9941 3.9966 4.0004 5.5728 5.5731 5.9742 5.9771 5.9963 6.0037 7.0044 7.0048 10.6569 10.6576 10.7282 10.7285 10.7419 10.7435 k = 0.0067 0.0039 0.0109 ( 1989 PWs) bands (ev): -8.1949 -8.1949 1.7413 1.7413 2.3300 2.3305 2.3309 2.3326 3.9934 3.9950 3.9962 3.9980 5.5797 5.5797 5.9970 5.9982 6.0021 6.0058 6.9749 6.9749 10.6559 10.6559 10.7312 10.7315 10.7346 10.7355 k = 0.0000 0.0000 0.0000 ( 1989 PWs) bands (ev): -8.1955 -8.1955 1.7421 1.7421 2.3317 2.3317 2.3317 2.3317 3.9957 3.9957 3.9957 3.9957 5.5819 5.5819 6.0053 6.0053 6.0053 6.0053 6.9646 6.9646 10.6551 10.6551 10.7326 10.7326 10.7326 10.7326 k = 0.0000 0.0000 0.0000 ( 1989 PWs) bands (ev): -8.1955 -8.1955 1.7421 1.7421 2.3317 2.3317 2.3317 2.3317 3.9957 3.9957 3.9957 3.9957 5.5819 5.5819 6.0053 6.0053 6.0053 6.0053 6.9646 6.9646 10.6551 10.6551 10.7326 10.7326 10.7326 10.7326 k = 0.0111 0.0064 0.0045 ( 1989 PWs) bands (ev): -8.1949 -8.1949 1.7413 1.7413 2.3302 2.3302 2.3309 2.3327 3.9933 3.9956 3.9956 3.9982 5.5796 5.5796 5.9971 5.9971 6.0022 6.0062 6.9752 6.9752 10.6560 10.6560 10.7317 10.7317 10.7341 10.7352 k = 0.0222 0.0128 0.0091 ( 1983 PWs) bands (ev): -8.1931 -8.1931 1.7386 1.7386 2.3257 2.3257 2.3302 2.3337 3.9908 3.9952 3.9952 4.0006 5.5726 5.5726 5.9739 5.9739 5.9968 6.0048 7.0057 7.0057 10.6581 10.6581 10.7296 10.7296 10.7397 10.7419 k = 0.0333 0.0192 0.0136 ( 1968 PWs) bands (ev): -8.1901 -8.1901 1.7340 1.7340 2.3183 2.3183 2.3297 2.3350 3.9885 3.9947 3.9947 4.0031 5.5605 5.5605 5.9392 5.9392 5.9893 6.0012 7.0530 7.0530 10.6597 10.6597 10.7284 10.7284 10.7494 10.7526 k = 0.0444 0.0257 0.0181 ( 1968 PWs) bands (ev): -8.1860 -8.1860 1.7274 1.7274 2.3081 2.3081 2.3292 2.3363 3.9859 3.9937 3.9937 4.0054 5.5425 5.5425 5.8974 5.8974 5.9795 5.9954 7.1130 7.1130 10.6585 10.6585 10.7311 10.7311 10.7629 10.7672 k = 0.0556 0.0321 0.0227 ( 1965 PWs) bands (ev): -8.1807 -8.1807 1.7185 1.7185 2.2955 2.2955 2.3289 2.3377 3.9835 3.9926 3.9926 4.0078 5.5178 5.5178 5.8527 5.8527 5.9678 5.9875 7.1821 7.1821 10.6528 10.6528 10.7402 10.7402 10.7801 10.7855 k = 0.0667 0.0385 0.0272 ( 1971 PWs) bands (ev): -8.1742 -8.1742 1.7073 1.7073 2.2806 2.2806 2.3287 2.3392 3.9810 3.9911 3.9911 4.0100 5.4858 5.4858 5.8090 5.8090 5.9540 5.9775 7.2572 7.2572 10.6437 10.6437 10.7556 10.7556 10.8009 10.8072 k = 0.0778 0.0449 0.0318 ( 1971 PWs) bands (ev): -8.1666 -8.1666 1.6934 1.6934 2.2641 2.2641 2.3286 2.3408 3.9785 3.9894 3.9894 4.0122 5.4461 5.4461 5.7684 5.7684 5.9383 5.9656 7.3357 7.3357 10.6334 10.6334 10.7761 10.7761 10.8249 10.8322 k = 0.0889 0.0513 0.0363 ( 1977 PWs) bands (ev): -8.1580 -8.1580 1.6765 1.6765 2.2463 2.2463 2.3286 2.3424 3.9761 3.9875 3.9875 4.0143 5.3992 5.3992 5.7320 5.7320 5.9209 5.9518 7.4156 7.4156 10.6242 10.6242 10.8005 10.8005 10.8518 10.8600 k = 0.1000 0.0577 0.0408 ( 1977 PWs) bands (ev): -8.1482 -8.1482 1.6563 1.6563 2.2277 2.2277 2.3288 2.3441 3.9738 3.9854 3.9854 4.0165 5.3465 5.3465 5.6998 5.6998 5.9018 5.9362 7.4953 7.4953 10.6177 10.6177 10.8282 10.8282 10.8813 10.8904 k = 0.1111 0.0642 0.0454 ( 1983 PWs) bands (ev): -8.1374 -8.1374 1.6326 1.6326 2.2088 2.2088 2.3290 2.3458 3.9717 3.9831 3.9831 4.0186 5.2896 5.2896 5.6709 5.6709 5.8812 5.9190 7.5733 7.5733 10.6156 10.6156 10.8584 10.8584 10.9130 10.9228 k = 0.1222 0.0706 0.0499 ( 1983 PWs) bands (ev): -8.1257 -8.1257 1.6050 1.6050 2.1900 2.1900 2.3293 2.3476 3.9697 3.9807 3.9807 4.0208 5.2302 5.2302 5.6445 5.6445 5.8593 5.9003 7.6484 7.6484 10.6193 10.6193 10.8906 10.8906 10.9464 10.9570 k = 0.1333 0.0770 0.0544 ( 1989 PWs) bands (ev): -8.1129 -8.1129 1.5734 1.5734 2.1719 2.1719 2.3297 2.3493 3.9678 3.9782 3.9782 4.0229 5.1695 5.1695 5.6197 5.6197 5.8361 5.8803 7.7194 7.7194 10.6300 10.6300 10.9245 10.9245 10.9810 10.9924 k = 0.1444 0.0834 0.0590 ( 1988 PWs) bands (ev): -8.0993 -8.0993 1.5377 1.5377 2.1547 2.1547 2.3303 2.3511 3.9661 3.9756 3.9756 4.0251 5.1086 5.1086 5.5959 5.5959 5.8119 5.8590 7.7854 7.7854 10.6488 10.6488 10.9594 10.9594 11.0164 11.0284 k = 0.1556 0.0898 0.0635 ( 1988 PWs) bands (ev): -8.0848 -8.0848 1.4979 1.4979 2.1387 2.1387 2.3309 2.3530 3.9647 3.9729 3.9729 4.0274 5.0482 5.0482 5.5727 5.5727 5.7867 5.8367 7.8456 7.8456 10.6766 10.6766 10.9949 10.9949 11.0521 11.0646 k = 0.1667 0.0962 0.0680 ( 1976 PWs) bands (ev): -8.0695 -8.0695 1.4542 1.4542 2.1241 2.1241 2.3316 2.3548 3.9637 3.9703 3.9703 4.0298 4.9890 4.9890 5.5499 5.5499 5.7608 5.8134 7.8995 7.8995 10.7139 10.7139 11.0305 11.0305 11.0874 11.1005 k = 0.1778 0.1026 0.0726 ( 1982 PWs) bands (ev): -8.0534 -8.0534 1.4068 1.4068 2.1109 2.1109 2.3323 2.3565 3.9628 3.9675 3.9675 4.0322 4.9310 4.9310 5.5272 5.5272 5.7341 5.7892 7.9466 7.9466 10.7613 10.7613 11.0658 11.0658 11.1219 11.1355 k = 0.1889 0.1091 0.0771 ( 1976 PWs) bands (ev): -8.0367 -8.0367 1.3561 1.3561 2.0991 2.0991 2.3331 2.3582 3.9622 3.9648 3.9648 4.0347 4.8748 4.8748 5.5047 5.5047 5.7070 5.7644 7.9869 7.9869 10.8186 10.8186 11.1004 11.1004 11.1551 11.1690 k = 0.2000 0.1155 0.0816 ( 1976 PWs) bands (ev): -8.0194 -8.0194 1.3025 1.3025 2.0886 2.0886 2.3340 2.3598 3.9620 3.9620 3.9620 4.0372 4.8205 4.8205 5.4823 5.4823 5.6796 5.7390 8.0203 8.0203 10.8855 10.8855 11.1342 11.1342 11.1864 11.2006 k = 0.2111 0.1219 0.0862 ( 1976 PWs) bands (ev): -8.0015 -8.0015 1.2464 1.2464 2.0794 2.0794 2.3349 2.3614 3.9592 3.9592 3.9621 4.0398 4.7681 4.7681 5.4600 5.4600 5.6518 5.7132 8.0472 8.0472 10.9610 10.9610 11.1672 11.1672 11.2155 11.2298 k = 0.2222 0.1283 0.0907 ( 1973 PWs) bands (ev): -7.9831 -7.9831 1.1882 1.1882 2.0712 2.0712 2.3358 2.3629 3.9565 3.9565 3.9626 4.0425 4.7179 4.7179 5.4378 5.4378 5.6240 5.6870 8.0680 8.0680 11.0429 11.0429 11.2009 11.2009 11.2418 11.2563 k = 0.2333 0.1347 0.0953 ( 1973 PWs) bands (ev): -7.9643 -7.9643 1.1284 1.1284 2.0640 2.0640 2.3368 2.3642 3.9538 3.9538 3.9635 4.0452 4.6698 4.6698 5.4157 5.4157 5.5961 5.6606 8.0832 8.0832 11.1247 11.1247 11.2405 11.2405 11.2652 11.2797 k = 0.2444 0.1411 0.0998 ( 1973 PWs) bands (ev): -7.9453 -7.9453 1.0676 1.0676 2.0576 2.0576 2.3378 2.3655 3.9511 3.9511 3.9647 4.0481 4.6240 4.6240 5.3938 5.3938 5.5684 5.6341 8.0934 8.0934 11.1894 11.1894 11.2854 11.2998 11.3022 11.3022 k = 0.2556 0.1475 0.1043 ( 1973 PWs) bands (ev): -7.9260 -7.9260 1.0060 1.0060 2.0520 2.0520 2.3388 2.3666 3.9484 3.9484 3.9664 4.0510 4.5803 4.5803 5.3722 5.3722 5.5410 5.6075 8.0993 8.0993 11.2273 11.2273 11.3022 11.3165 11.3945 11.3945 k = 0.2667 0.1540 0.1089 ( 1976 PWs) bands (ev): -7.9066 -7.9066 0.9441 0.9441 2.0470 2.0470 2.3398 2.3676 3.9458 3.9458 3.9686 4.0540 4.5388 4.5388 5.3509 5.3509 5.5139 5.5811 8.1016 8.1016 11.2506 11.2506 11.3158 11.3298 11.5040 11.5040 k = 0.2778 0.1604 0.1134 ( 1979 PWs) bands (ev): -7.8871 -7.8871 0.8824 0.8824 2.0426 2.0426 2.3409 2.3685 3.9432 3.9432 3.9711 4.0570 4.4996 4.4996 5.3299 5.3299 5.4873 5.5548 8.1007 8.1007 11.2668 11.2668 11.3260 11.3398 11.6223 11.6223 k = 0.2889 0.1668 0.1179 ( 1979 PWs) bands (ev): -7.8677 -7.8677 0.8212 0.8212 2.0386 2.0386 2.3419 2.3693 3.9406 3.9406 3.9742 4.0600 4.4628 4.4628 5.3093 5.3093 5.4612 5.5289 8.0974 8.0974 11.2785 11.2785 11.3332 11.3465 11.7460 11.7460 k = 0.3000 0.1732 0.1225 ( 1979 PWs) bands (ev): -7.8485 -7.8485 0.7609 0.7609 2.0351 2.0351 2.3429 2.3699 3.9379 3.9379 3.9776 4.0631 4.4282 4.4282 5.2893 5.2893 5.4359 5.5033 8.0921 8.0921 11.2866 11.2866 11.3375 11.3504 11.8731 11.8731 k = 0.3111 0.1796 0.1270 ( 1982 PWs) bands (ev): -7.8295 -7.8295 0.7018 0.7018 2.0319 2.0319 2.3440 2.3703 3.9352 3.9352 3.9814 4.0661 4.3959 4.3959 5.2697 5.2697 5.4113 5.4781 8.0852 8.0852 11.2916 11.2916 11.3392 11.3515 12.0020 12.0020 k = 0.3222 0.1860 0.1315 ( 1994 PWs) bands (ev): -7.8109 -7.8109 0.6443 0.6443 2.0291 2.0291 2.3450 2.3707 3.9324 3.9324 3.9856 4.0689 4.3658 4.3658 5.2508 5.2508 5.3877 5.4536 8.0773 8.0773 11.2941 11.2941 11.3386 11.3504 12.1315 12.1315 k = 0.3333 0.1925 0.1361 ( 1994 PWs) bands (ev): -7.7927 -7.7927 0.5887 0.5887 2.0265 2.0265 2.3460 2.3708 3.9296 3.9296 3.9902 4.0717 4.3381 4.3381 5.2327 5.2327 5.3651 5.4296 8.0685 8.0685 11.2943 11.2943 11.3361 11.3472 12.2599 12.2599 k = 0.3444 0.1989 0.1406 ( 1988 PWs) bands (ev): -7.7751 -7.7751 0.5353 0.5353 2.0242 2.0242 2.3471 2.3709 3.9268 3.9268 3.9952 4.0745 4.3129 4.3129 5.2152 5.2152 5.3436 5.4064 8.0593 8.0593 11.2927 11.2927 11.3319 11.3425 12.3859 12.3859 k = 0.3556 0.2053 0.1452 ( 1976 PWs) bands (ev): -7.7582 -7.7582 0.4843 0.4843 2.0221 2.0221 2.3481 2.3709 3.9239 3.9239 4.0006 4.0771 4.2899 4.2899 5.1987 5.1987 5.3233 5.3841 8.0499 8.0499 11.2896 11.2896 11.3266 11.3364 12.5079 12.5079 k = 0.3667 0.2117 0.1497 ( 1976 PWs) bands (ev): -7.7420 -7.7420 0.4360 0.4360 2.0202 2.0202 2.3492 2.3707 3.9208 3.9208 4.0062 4.0794 4.2690 4.2690 5.1830 5.1830 5.3043 5.3626 8.0405 8.0405 11.2854 11.2854 11.3203 11.3294 12.6240 12.6240 k = 0.3778 0.2181 0.1542 ( 1976 PWs) bands (ev): -7.7267 -7.7267 0.3906 0.3906 2.0185 2.0185 2.3502 2.3704 3.9176 3.9176 4.0120 4.0814 4.2503 4.2503 5.1682 5.1682 5.2868 5.3421 8.0313 8.0313 11.2804 11.2804 11.3134 11.3218 12.7328 12.7328 k = 0.3889 0.2245 0.1588 ( 1967 PWs) bands (ev): -7.7124 -7.7124 0.3484 0.3484 2.0170 2.0170 2.3513 2.3700 3.9144 3.9144 4.0180 4.0831 4.2338 4.2338 5.1546 5.1546 5.2707 5.3228 8.0225 8.0225 11.2749 11.2749 11.3062 11.3139 12.8325 12.8325 k = 0.4000 0.2309 0.1633 ( 1970 PWs) bands (ev): -7.6991 -7.6991 0.3096 0.3096 2.0157 2.0157 2.3523 2.3694 3.9111 3.9111 4.0240 4.0844 4.2192 4.2192 5.1419 5.1419 5.2562 5.3046 8.0142 8.0142 11.2691 11.2691 11.2989 11.3059 12.9220 12.9220 k = 0.4111 0.2374 0.1678 ( 1967 PWs) bands (ev): -7.6869 -7.6869 0.2744 0.2744 2.0145 2.0145 2.3534 2.3688 3.9078 3.9078 4.0301 4.0852 4.2067 4.2067 5.1305 5.1305 5.2434 5.2876 8.0065 8.0065 11.2632 11.2632 11.2919 11.2981 13.0002 13.0002 k = 0.4222 0.2438 0.1724 ( 1973 PWs) bands (ev): -7.6760 -7.6760 0.2429 0.2429 2.0134 2.0134 2.3544 2.3681 3.9046 3.9046 4.0361 4.0855 4.1960 4.1960 5.1202 5.1202 5.2323 5.2720 7.9995 7.9995 11.2576 11.2576 11.2852 11.2907 13.0668 13.0668 k = 0.4333 0.2502 0.1769 ( 1973 PWs) bands (ev): -7.6664 -7.6664 0.2152 0.2152 2.0125 2.0125 2.3555 2.3674 3.9016 3.9016 4.0421 4.0853 4.1871 4.1871 5.1111 5.1111 5.2230 5.2578 7.9933 7.9933 11.2524 11.2524 11.2791 11.2838 13.1219 13.1219 k = 0.4444 0.2566 0.1814 ( 1967 PWs) bands (ev): -7.6581 -7.6581 0.1916 0.1916 2.0117 2.0117 2.3565 2.3665 3.8990 3.8990 4.0480 4.0847 4.1798 4.1798 5.1034 5.1034 5.2156 5.2451 7.9879 7.9879 11.2477 11.2477 11.2738 11.2777 13.1663 13.1663 k = 0.4556 0.2630 0.1860 ( 1976 PWs) bands (ev): -7.6513 -7.6513 0.1722 0.1722 2.0111 2.0111 2.3576 2.3657 3.8965 3.8965 4.0536 4.0833 4.1737 4.1737 5.0970 5.0970 5.2100 5.2340 7.9835 7.9835 11.2436 11.2436 11.2693 11.2725 13.2007 13.2007 k = 0.4667 0.2694 0.1905 ( 1976 PWs) bands (ev): -7.6459 -7.6459 0.1569 0.1569 2.0106 2.0106 2.3586 2.3647 3.8946 3.8946 4.0589 4.0815 4.1693 4.1693 5.0920 5.0920 5.2064 5.2246 7.9800 7.9800 11.2404 11.2404 11.2658 11.2682 13.2261 13.2261 k = 0.4778 0.2758 0.1951 ( 1976 PWs) bands (ev): -7.6421 -7.6421 0.1460 0.1460 2.0103 2.0103 2.3597 2.3638 3.8932 3.8932 4.0639 4.0790 4.1662 4.1662 5.0885 5.0885 5.2047 5.2170 7.9775 7.9775 11.2380 11.2380 11.2634 11.2650 13.2436 13.2436 k = 0.4889 0.2823 0.1996 ( 1976 PWs) bands (ev): -7.6397 -7.6397 0.1394 0.1394 2.0101 2.0101 2.3607 2.3628 3.8923 3.8923 4.0684 4.0760 4.1644 4.1644 5.0863 5.0863 5.2049 5.2111 7.9760 7.9760 11.2366 11.2366 11.2621 11.2629 13.2537 13.2537 k = 0.5000 0.2887 0.2041 ( 1946 PWs) bands (ev): -7.6389 -7.6389 0.1372 0.1372 2.0101 2.0101 2.3619 2.3619 3.8922 3.8922 4.0727 4.0727 4.1640 4.1640 5.0858 5.0858 5.2072 5.2072 7.9755 7.9755 11.2361 11.2361 11.2619 11.2619 13.2570 13.2570 k = 0.5000 0.2887 0.2041 ( 1946 PWs) bands (ev): -7.6389 -7.6389 0.1372 0.1372 2.0101 2.0101 2.3619 2.3619 3.8922 3.8922 4.0727 4.0727 4.1640 4.1640 5.0858 5.0858 5.2072 5.2072 7.9755 7.9755 11.2361 11.2361 11.2619 11.2619 13.2570 13.2570 k = 0.5039 0.2774 0.2105 ( 1976 PWs) bands (ev): -7.6387 -7.6386 0.1347 0.1414 2.0038 2.0139 2.3608 2.3608 3.8887 3.8950 4.0725 4.0725 4.1605 4.1669 5.0820 5.0855 5.2043 5.2043 7.9763 7.9879 11.2325 11.2354 11.2613 11.2619 13.2562 13.2657 k = 0.5078 0.2661 0.2169 ( 1976 PWs) bands (ev): -7.6378 -7.6375 0.1337 0.1472 1.9952 2.0156 2.3578 2.3579 3.8852 3.8976 4.0724 4.0724 4.1570 4.1697 5.0748 5.0815 5.1962 5.1963 7.9903 8.0135 11.2180 11.2245 11.2664 11.2684 13.2628 13.2815 k = 0.5117 0.2548 0.2233 ( 1976 PWs) bands (ev): -7.6362 -7.6358 0.1343 0.1547 1.9841 2.0150 2.3529 2.3533 3.8813 3.9000 4.0724 4.0724 4.1532 4.1723 5.0639 5.0733 5.1834 5.1839 8.0170 8.0514 11.1905 11.1993 11.2819 11.2847 13.2751 13.3024 k = 0.5156 0.2436 0.2296 ( 1976 PWs) bands (ev): -7.6340 -7.6335 0.1364 0.1638 1.9704 2.0121 2.3462 2.3473 3.8771 3.9021 4.0723 4.0724 4.1492 4.1747 5.0490 5.0600 5.1669 5.1684 8.0556 8.1008 11.1532 11.1636 11.3059 11.3092 13.2903 13.3253 k = 0.5195 0.2323 0.2360 ( 1977 PWs) bands (ev): -7.6312 -7.6305 0.1400 0.1746 1.9537 2.0068 2.3380 2.3399 3.8726 3.9040 4.0722 4.0724 4.1451 4.1768 5.0299 5.0412 5.1479 5.1513 8.1050 8.1605 11.1088 11.1201 11.3373 11.3411 13.3052 13.3466 k = 0.5234 0.2210 0.2424 ( 1979 PWs) bands (ev): -7.6277 -7.6269 0.1451 0.1870 1.9340 1.9989 2.3285 2.3316 3.8678 3.9056 4.0719 4.0724 4.1408 4.1788 5.0066 5.0164 5.1274 5.1338 8.1640 8.2291 11.0597 11.0710 11.3757 11.3800 13.3165 13.3625 k = 0.5273 0.2097 0.2488 ( 1979 PWs) bands (ev): -7.6237 -7.6228 0.1515 0.2010 1.9111 1.9884 2.3181 2.3227 3.8627 3.9069 4.0716 4.0725 4.1365 4.1805 4.9793 4.9862 5.1062 5.1166 8.2309 8.3052 11.0079 11.0185 11.4209 11.4256 13.3211 13.3697 k = 0.5312 0.1985 0.2552 ( 1979 PWs) bands (ev): -7.6191 -7.6180 0.1592 0.2167 1.8848 1.9750 2.3071 2.3134 3.8573 3.9080 4.0710 4.0725 4.1322 4.1821 4.9485 4.9515 5.0848 5.0996 8.3044 8.3870 10.9557 10.9645 11.4726 11.4778 13.3168 13.3657 k = 0.5352 0.1872 0.2615 ( 1981 PWs) bands (ev): -7.6140 -7.6128 0.1680 0.2339 1.8552 1.9585 2.2959 2.3040 3.8516 3.9088 4.0701 4.0725 4.1281 4.1835 4.9136 4.9152 5.0633 5.0826 8.3826 8.4729 10.9049 10.9108 11.5308 11.5362 13.3025 13.3491 k = 0.5391 0.1759 0.2679 ( 1981 PWs) bands (ev): -7.6084 -7.6070 0.1780 0.2526 1.8222 1.9390 2.2848 2.2947 3.8456 3.9094 4.0688 4.0727 4.1244 4.1848 4.8736 4.8801 5.0415 5.0653 8.4638 8.5609 10.8574 10.8591 11.5950 11.6008 13.2780 13.3197 k = 0.5430 0.1646 0.2743 ( 1981 PWs) bands (ev): -7.6023 -7.6008 0.1890 0.2728 1.7860 1.9166 2.2742 2.2856 3.8395 3.9097 4.0669 4.0728 4.1212 4.1859 4.8325 4.8441 5.0195 5.0476 8.5463 8.6491 10.8110 10.8151 11.6651 11.6711 13.2440 13.2785 k = 0.5469 0.1534 0.2807 ( 1981 PWs) bands (ev): -7.5958 -7.5942 0.2008 0.2944 1.7468 1.8913 2.2642 2.2769 3.8331 3.9099 4.0644 4.0730 4.1188 4.1868 4.7911 4.8080 4.9973 5.0294 8.6281 8.7353 10.7679 10.7798 11.7409 11.7469 13.2020 13.2272 k = 0.5508 0.1421 0.2870 ( 1983 PWs) bands (ev): -7.5889 -7.5872 0.2134 0.3173 1.7048 1.8634 2.2549 2.2687 3.8266 3.9097 4.0610 4.0732 4.1173 4.1875 4.7499 4.7721 4.9747 5.0108 8.7071 8.8172 10.7312 10.7533 11.8220 11.8279 13.1537 13.1676 k = 0.5547 0.1308 0.2934 ( 1983 PWs) bands (ev): -7.5817 -7.5799 0.2264 0.3414 1.6604 1.8333 2.2464 2.2609 3.8199 3.9094 4.0568 4.0736 4.1167 4.1881 4.7095 4.7371 4.9519 4.9916 8.7815 8.8926 10.7021 10.7374 11.9081 11.9136 13.1012 13.1022 k = 0.5586 0.1195 0.2998 ( 1983 PWs) bands (ev): -7.5742 -7.5723 0.2399 0.3667 1.6141 1.8016 2.2385 2.2536 3.8132 3.9088 4.0519 4.0739 4.1171 4.1885 4.6701 4.7034 4.9288 4.9720 8.8493 8.9593 10.6816 10.7332 11.9990 12.0038 13.0332 13.0466 k = 0.5625 0.1083 0.3062 ( 1980 PWs) bands (ev): -7.5665 -7.5645 0.2535 0.3929 1.5662 1.7687 2.2315 2.2468 3.8064 3.9080 4.0464 4.0744 4.1185 4.1887 4.6320 4.6710 4.9056 4.9522 8.9087 9.0154 10.6700 10.7415 12.0941 12.0977 12.9634 12.9921 k = 0.5664 0.0970 0.3126 ( 1981 PWs) bands (ev): -7.5586 -7.5565 0.2669 0.4199 1.5173 1.7353 2.2250 2.2403 3.7996 3.9070 4.0405 4.0750 4.1206 4.1886 4.5955 4.6404 4.8823 4.9321 8.9584 9.0598 10.6673 10.7621 12.1933 12.1946 12.8954 12.9403 k = 0.5703 0.0857 0.3189 ( 1978 PWs) bands (ev): -7.5506 -7.5485 0.2801 0.4474 1.4679 1.7020 2.2190 2.2343 3.7930 3.9058 4.0345 4.0757 4.1234 4.1883 4.5605 4.6116 4.8590 4.9119 8.9977 9.0921 10.6723 10.7933 12.2934 12.2960 12.8329 12.8935 k = 0.5742 0.0744 0.3253 ( 1978 PWs) bands (ev): -7.5426 -7.5404 0.2926 0.4752 1.4187 1.6693 2.2136 2.2287 3.7865 3.9043 4.0284 4.0766 4.1270 4.1875 4.5272 4.5846 4.8359 4.8916 9.0264 9.1126 10.6832 10.8325 12.3916 12.4016 12.7809 12.8544 k = 0.5781 0.0631 0.3317 ( 1970 PWs) bands (ev): -7.5346 -7.5323 0.3043 0.5028 1.3704 1.6380 2.2085 2.2234 3.7802 3.9027 4.0225 4.0776 4.1312 4.1864 4.4956 4.5599 4.8131 4.8715 9.0450 9.1227 10.6971 10.8753 12.4832 12.5097 12.7484 12.8258 k = 0.5820 0.0519 0.3381 ( 1968 PWs) bands (ev): -7.5267 -7.5243 0.3147 0.5298 1.3237 1.6086 2.2039 2.2185 3.7742 3.9009 4.0168 4.0788 4.1359 4.1847 4.4656 4.5371 4.7905 4.8515 9.0546 9.1237 10.7108 10.9168 12.5532 12.6190 12.7537 12.8107 k = 0.5859 0.0406 0.3445 ( 1968 PWs) bands (ev): -7.5190 -7.5165 0.3237 0.5555 1.2797 1.5818 2.1995 2.2139 3.7685 3.8990 4.0114 4.0801 4.1411 4.1824 4.4373 4.5166 4.7683 4.8317 9.0565 9.1175 10.7206 10.9513 12.5897 12.7264 12.8122 12.8141 k = 0.5898 0.0293 0.3508 ( 1972 PWs) bands (ev): -7.5114 -7.5089 0.3310 0.5791 1.2393 1.5580 2.1955 2.2096 3.7631 3.8969 4.0066 4.0815 4.1468 4.1793 4.4105 4.4984 4.7466 4.8123 9.0520 9.1057 10.7235 10.9738 12.6153 12.8046 12.8640 12.9040 k = 0.5938 0.0180 0.3572 ( 1978 PWs) bands (ev): -7.5042 -7.5017 0.3363 0.5993 1.2041 1.5378 2.1918 2.2057 3.7582 3.8947 4.0022 4.0832 4.1529 4.1754 4.3853 4.4824 4.7255 4.7933 9.0427 9.0898 10.7171 10.9805 12.6525 12.8461 12.9676 13.0079 k = 0.5977 0.0068 0.3636 ( 1974 PWs) bands (ev): -7.4973 -7.4948 0.3395 0.6151 1.1753 1.5216 2.1883 2.2021 3.7539 3.8927 3.9986 4.0851 4.1595 4.1708 4.3616 4.4689 4.7052 4.7748 9.0296 9.0711 10.7001 10.9696 12.7086 12.8961 13.0782 13.1156 k = 0.6016-0.0045 0.3700 ( 1978 PWs) bands (ev): -7.4909 -7.4883 0.3406 0.6250 1.1546 1.5095 2.1852 2.1988 3.7502 3.8906 3.9956 4.0871 4.1652 4.1664 4.3394 4.4577 4.6855 4.7568 9.0141 9.0505 10.6721 10.9418 12.7838 12.9587 13.1886 13.2236 k = 0.6055-0.0158 0.3764 ( 1975 PWs) bands (ev): -7.4850 -7.4824 0.3395 0.6281 1.1431 1.5018 2.1823 2.1959 3.7472 3.8888 3.9934 4.0894 4.1588 4.1735 4.3188 4.4488 4.6668 4.7396 8.9969 9.0290 10.6339 10.8989 12.8748 13.0313 13.2969 13.3300 k = 0.6094-0.0271 0.3827 ( 1973 PWs) bands (ev): -7.4797 -7.4770 0.3365 0.6241 1.1412 1.4984 2.1797 2.1933 3.7449 3.8872 3.9919 4.0919 4.1517 4.1808 4.2998 4.4421 4.6489 4.7230 8.9788 9.0073 10.5865 10.8437 12.9765 13.1092 13.4020 13.4331 k = 0.6133-0.0383 0.3891 ( 1971 PWs) bands (ev): -7.4750 -7.4724 0.3316 0.6134 1.1486 1.4993 2.1775 2.1911 3.7434 3.8860 3.9910 4.0944 4.1440 4.1878 4.2828 4.4376 4.6320 4.7072 8.9605 8.9858 10.5315 10.7791 13.0821 13.1865 13.5025 13.5313 k = 0.6172-0.0496 0.3955 ( 1969 PWs) bands (ev): -7.4710 -7.4684 0.3253 0.5975 1.1639 1.5042 2.1756 2.1893 3.7428 3.8852 3.9909 4.0967 4.1361 4.1940 4.2683 4.4350 4.6163 4.6922 8.9425 8.9650 10.4704 10.7074 13.1838 13.2564 13.5965 13.6226 k = 0.6211-0.0609 0.4019 ( 1960 PWs) bands (ev): -7.4678 -7.4652 0.3179 0.5778 1.1858 1.5128 2.1741 2.1880 3.7431 3.8849 3.9915 4.0985 4.1286 4.1982 4.2576 4.4342 4.6017 4.6783 8.9251 8.9452 10.4045 10.6308 13.2720 13.3125 13.6815 13.7044 k = 0.6250-0.0722 0.4082 ( 1954 PWs) bands (ev): -7.4654 -7.4628 0.3098 0.5559 1.2125 1.5247 2.1730 2.1871 3.7443 3.8849 3.9928 4.0983 4.1229 4.1984 4.2526 4.4351 4.5884 4.6652 8.9087 8.9267 10.3352 10.5511 13.3379 13.3502 13.7554 13.7739 k = 0.6250-0.0722 0.4082 ( 1954 PWs) bands (ev): -7.4654 -7.4628 0.3098 0.5559 1.2125 1.5247 2.1730 2.1871 3.7443 3.8849 3.9928 4.0983 4.1229 4.1984 4.2526 4.4351 4.5884 4.6652 8.9087 8.9267 10.3352 10.5511 13.3379 13.3502 13.7554 13.7739 k = 0.6184-0.0684 0.4190 ( 1958 PWs) bands (ev): -7.4653 -7.4627 0.3103 0.5569 1.2119 1.5246 2.1717 2.1862 3.7445 3.8849 3.9928 4.0977 4.1224 4.1986 4.2517 4.4340 4.5881 4.6653 8.9138 8.9352 10.3355 10.5514 13.3071 13.3571 13.7144 13.7513 k = 0.6118-0.0646 0.4297 ( 1968 PWs) bands (ev): -7.4650 -7.4624 0.3117 0.5599 1.2099 1.5243 2.1680 2.1834 3.7451 3.8849 3.9926 4.0960 4.1209 4.1990 4.2491 4.4308 4.5873 4.6655 8.9303 8.9596 10.3366 10.5526 13.2484 13.3458 13.6213 13.6896 k = 0.6053-0.0608 0.4405 ( 1964 PWs) bands (ev): -7.4645 -7.4619 0.3140 0.5649 1.2065 1.5238 2.1619 2.1788 3.7462 3.8850 3.9924 4.0931 4.1188 4.1996 4.2454 4.4257 4.5864 4.6661 8.9590 8.9982 10.3384 10.5546 13.1700 13.3126 13.5062 13.6084 k = 0.5987-0.0570 0.4512 ( 1974 PWs) bands (ev): -7.4638 -7.4612 0.3171 0.5718 1.2017 1.5230 2.1537 2.1725 3.7476 3.8850 3.9921 4.0888 4.1162 4.1996 4.2409 4.4186 4.5853 4.6666 9.0002 9.0500 10.3408 10.5572 13.0766 13.2568 13.3865 13.5184 k = 0.5921-0.0532 0.4620 ( 1974 PWs) bands (ev): -7.4630 -7.4603 0.3211 0.5807 1.1953 1.5220 2.1437 2.1646 3.7494 3.8849 3.9918 4.0832 4.1134 4.1986 4.2369 4.4100 4.5841 4.6671 9.0532 9.1144 10.3439 10.5604 12.9729 13.1729 13.2768 13.4232 k = 0.5855-0.0494 0.4727 ( 1972 PWs) bands (ev): -7.4620 -7.4593 0.3257 0.5916 1.1872 1.5206 2.1322 2.1553 3.7517 3.8847 3.9915 4.0765 4.1103 4.1958 4.2343 4.4001 4.5831 4.6675 9.1174 9.1905 10.3476 10.5642 12.8631 13.0602 13.1839 13.3241 k = 0.5789-0.0456 0.4835 ( 1972 PWs) bands (ev): -7.4608 -7.4581 0.3311 0.6044 1.1773 1.5188 2.1195 2.1449 3.7544 3.8841 3.9913 4.0689 4.1069 4.1910 4.2336 4.3894 4.5821 4.6677 9.1918 9.2775 10.3519 10.5682 12.7503 12.9340 13.0972 13.2220 k = 0.5724-0.0418 0.4942 ( 1966 PWs) bands (ev): -7.4596 -7.4568 0.3369 0.6191 1.1655 1.5165 2.1061 2.1337 3.7574 3.8830 3.9911 4.0609 4.1031 4.1848 4.2348 4.3781 4.5813 4.6678 9.2751 9.3743 10.3567 10.5725 12.6369 12.8045 13.0100 13.1180 k = 0.5658-0.0380 0.5049 ( 1965 PWs) bands (ev): -7.4582 -7.4555 0.3431 0.6356 1.1516 1.5137 2.0923 2.1221 3.7607 3.8813 3.9910 4.0528 4.0985 4.1779 4.2370 4.3666 4.5805 4.6678 9.3658 9.4798 10.3621 10.5767 12.5248 12.6761 12.9210 13.0132 k = 0.5592-0.0342 0.5157 ( 1968 PWs) bands (ev): -7.4568 -7.4540 0.3496 0.6540 1.1355 1.5104 2.0786 2.1103 3.7642 3.8788 3.9911 4.0451 4.0933 4.1711 4.2401 4.3553 4.5797 4.6675 9.4623 9.5928 10.3682 10.5806 12.4158 12.5508 12.8308 12.9086 k = 0.5526-0.0304 0.5264 ( 1968 PWs) bands (ev): -7.4554 -7.4526 0.3561 0.6742 1.1172 1.5065 2.0653 2.0988 3.7680 3.8755 3.9916 4.0382 4.0872 4.1648 4.2436 4.3443 4.5790 4.6672 9.5623 9.7117 10.3752 10.5838 12.3114 12.4303 12.7407 12.8055 k = 0.5461-0.0266 0.5372 ( 1966 PWs) bands (ev): -7.4540 -7.4511 0.3625 0.6962 1.0966 1.5022 2.0529 2.0880 3.7719 3.8714 3.9925 4.0323 4.0804 4.1593 4.2475 4.3340 4.5784 4.6667 9.6630 9.8347 10.3834 10.5860 12.2133 12.3160 12.6515 12.7053 k = 0.5395-0.0228 0.5479 ( 1964 PWs) bands (ev): -7.4526 -7.4497 0.3687 0.7199 1.0736 1.4976 2.0417 2.0781 3.7759 3.8666 3.9938 4.0276 4.0730 4.1548 4.2517 4.3244 4.5777 4.6662 9.7610 9.9595 10.3935 10.5867 12.1233 12.2099 12.5643 12.6095 k = 0.5329-0.0190 0.5587 ( 1962 PWs) bands (ev): -7.4513 -7.4484 0.3744 0.7452 1.0485 1.4929 2.0319 2.0694 3.7798 3.8616 3.9954 4.0242 4.0653 4.1511 4.2560 4.3155 4.5771 4.6656 9.8520 10.0831 10.4062 10.5855 12.0435 12.1144 12.4801 12.5200 k = 0.5263-0.0152 0.5694 ( 1966 PWs) bands (ev): -7.4502 -7.4472 0.3793 0.7720 1.0213 1.4882 2.0237 2.0622 3.7834 3.8564 3.9970 4.0223 4.0575 4.1481 4.2604 4.3075 4.5764 4.6651 9.9310 10.2014 10.4223 10.5819 11.9762 12.0332 12.4003 12.4386 k = 0.5197-0.0114 0.5801 ( 1970 PWs) bands (ev): -7.4492 -7.4462 0.3835 0.8003 0.9924 1.4840 2.0174 2.0565 3.7866 3.8517 3.9984 4.0221 4.0501 4.1458 4.2647 4.3003 4.5759 4.6646 9.9934 10.3091 10.4414 10.5753 11.9231 11.9705 12.3273 12.3674 k = 0.5132-0.0076 0.5909 ( 1968 PWs) bands (ev): -7.4485 -7.4455 0.3865 0.8299 0.9621 1.4805 2.0129 2.0524 3.7890 3.8480 3.9993 4.0237 4.0432 4.1442 4.2690 4.2942 4.5755 4.6642 10.0364 10.3990 10.4613 10.5659 11.8858 11.9305 12.2651 12.3087 k = 0.5066-0.0038 0.6016 ( 1964 PWs) bands (ev): -7.4480 -7.4450 0.3884 0.8599 0.9313 1.4782 2.0102 2.0500 3.7905 3.8457 3.9997 4.0267 4.0374 4.1432 4.2726 4.2895 4.5752 4.6640 10.0602 10.4598 10.4792 10.5552 11.8657 11.9128 12.2202 12.2671 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -7.4478 -7.4448 0.3891 0.8816 0.9094 1.4773 2.0093 2.0492 3.7910 3.8449 3.9997 4.0292 4.0339 4.1429 4.2741 4.2875 4.5751 4.6639 10.0674 10.4753 10.4927 10.5505 11.8609 11.9095 12.2024 12.2507 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -7.4478 -7.4448 0.3891 0.8816 0.9094 1.4773 2.0093 2.0492 3.7910 3.8449 3.9997 4.0292 4.0339 4.1429 4.2741 4.2875 4.5751 4.6639 10.0674 10.4753 10.4927 10.5505 11.8609 11.9095 12.2024 12.2507 k = 0.5000 0.0078 0.6013 ( 1964 PWs) bands (ev): -7.4482 -7.4452 0.3891 0.8814 0.9095 1.4772 2.0105 2.0502 3.7900 3.8463 4.0004 4.0245 4.0392 4.1437 4.2712 4.2910 4.5758 4.6646 10.0630 10.4671 10.4820 10.5691 11.8442 11.8915 12.2263 12.2758 k = 0.5000 0.0156 0.5903 ( 1968 PWs) bands (ev): -7.4493 -7.4463 0.3892 0.8793 0.9114 1.4769 2.0138 2.0532 3.7872 3.8501 4.0022 4.0188 4.0468 4.1459 4.2660 4.2978 4.5780 4.6666 10.0501 10.4304 10.4869 10.5993 11.8053 11.8494 12.2872 12.3392 k = 0.5000 0.0234 0.5793 ( 1972 PWs) bands (ev): -7.4511 -7.4481 0.3893 0.8726 0.9179 1.4766 2.0192 2.0581 3.7835 3.8554 4.0047 4.0145 4.0548 4.1494 4.2610 4.3059 4.5817 4.6700 10.0301 10.3882 10.4958 10.6268 11.7612 11.8003 12.3693 12.4238 k = 0.5000 0.0312 0.5682 ( 1970 PWs) bands (ev): -7.4536 -7.4506 0.3892 0.8609 0.9296 1.4766 2.0265 2.0647 3.7796 3.8614 4.0055 4.0140 4.0633 4.1540 4.2569 4.3150 4.5869 4.6748 10.0044 10.3441 10.5051 10.6479 11.7222 11.7542 12.4634 12.5205 k = 0.5000 0.0390 0.5572 ( 1960 PWs) bands (ev): -7.4568 -7.4539 0.3888 0.8449 0.9459 1.4773 2.0355 2.0727 3.7760 3.8675 4.0036 4.0181 4.0724 4.1591 4.2544 4.3249 4.5937 4.6809 9.9743 10.2988 10.5126 10.6606 11.6937 11.7163 12.5650 12.6248 k = 0.5000 0.0468 0.5462 ( 1962 PWs) bands (ev): -7.4607 -7.4578 0.3880 0.8255 0.9663 1.4791 2.0458 2.0818 3.7728 3.8732 4.0014 4.0236 4.0820 4.1639 4.2542 4.3358 4.6021 4.6884 9.9408 10.2523 10.5166 10.6634 11.6784 11.6899 12.6717 12.7347 k = 0.5000 0.0546 0.5351 ( 1966 PWs) bands (ev): -7.4652 -7.4623 0.3865 0.8032 0.9904 1.4823 2.0571 2.0919 3.7703 3.8785 3.9999 4.0293 4.0925 4.1675 4.2572 4.3479 4.6119 4.6971 9.9042 10.2042 10.5163 10.6565 11.6716 11.6821 12.7820 12.8486 k = 0.5000 0.0624 0.5241 ( 1964 PWs) bands (ev): -7.4703 -7.4674 0.3841 0.7786 1.0179 1.4875 2.0693 2.1026 3.7686 3.8831 3.9994 4.0348 4.1036 4.1693 4.2642 4.3614 4.6235 4.7071 9.8648 10.1540 10.5117 10.6408 11.6702 11.6962 12.8946 12.9654 k = 0.5000 0.0702 0.5131 ( 1964 PWs) bands (ev): -7.4759 -7.4730 0.3808 0.7521 1.0487 1.4950 2.0819 2.1137 3.7677 3.8871 3.9998 4.0397 4.1153 4.1690 4.2753 4.3764 4.6367 4.7185 9.8226 10.1011 10.5036 10.6186 11.6800 11.7243 13.0079 13.0843 k = 0.5000 0.0780 0.5020 ( 1968 PWs) bands (ev): -7.4820 -7.4792 0.3763 0.7240 1.0825 1.5050 2.0947 2.1251 3.7676 3.8906 4.0009 4.0438 4.1268 4.1670 4.2904 4.3929 4.6515 4.7311 9.7772 10.0448 10.4936 10.5925 11.7003 11.7633 13.1201 13.2037 k = 0.5000 0.0858 0.4910 ( 1976 PWs) bands (ev): -7.4886 -7.4858 0.3705 0.6947 1.1191 1.5178 2.1076 2.1365 3.7682 3.8935 4.0028 4.0473 4.1376 4.1638 4.3091 4.4110 4.6678 4.7449 9.7283 9.9844 10.4832 10.5654 11.7293 11.8107 13.2278 13.3219 k = 0.5000 0.0936 0.4800 ( 1976 PWs) bands (ev): -7.4955 -7.4928 0.3635 0.6645 1.1583 1.5336 2.1204 2.1478 3.7697 3.8962 4.0055 4.0504 4.1471 4.1603 4.3313 4.4308 4.6856 4.7601 9.6754 9.9196 10.4743 10.5397 11.7650 11.8640 13.3249 13.4351 k = 0.5000 0.1014 0.4689 ( 1976 PWs) bands (ev): -7.5028 -7.5002 0.3551 0.6337 1.1997 1.5521 2.1330 2.1589 3.7719 3.8984 4.0089 4.0530 4.1519 4.1597 4.3566 4.4521 4.7049 4.7764 9.6181 9.8503 10.4680 10.5173 11.8050 11.9206 13.3998 13.5356 k = 0.5000 0.1092 0.4579 ( 1980 PWs) bands (ev): -7.5104 -7.5078 0.3454 0.6027 1.2431 1.5735 2.1452 2.1698 3.7748 3.9004 4.0129 4.0552 4.1489 4.1652 4.3846 4.4748 4.7254 4.7939 9.5564 9.7765 10.4656 10.4999 11.8468 11.9777 13.4332 13.6057 k = 0.5000 0.1170 0.4469 ( 1982 PWs) bands (ev): -7.5182 -7.5157 0.3346 0.5715 1.2882 1.5975 2.1570 2.1803 3.7783 3.9022 4.0175 4.0571 4.1445 4.1708 4.4149 4.4989 4.7471 4.8126 9.4901 9.6984 10.4675 10.4883 11.8878 12.0325 13.4114 13.6158 k = 0.5000 0.1248 0.4358 ( 1986 PWs) bands (ev): -7.5262 -7.5238 0.3228 0.5405 1.3346 1.6239 2.1683 2.1906 3.7823 3.9037 4.0224 4.0589 4.1400 4.1754 4.4473 4.5243 4.7697 4.8322 9.4192 9.6162 10.4741 10.4834 11.9248 12.0810 13.3473 13.5606 k = 0.5000 0.1326 0.4248 ( 1986 PWs) bands (ev): -7.5343 -7.5320 0.3101 0.5098 1.3820 1.6522 2.1793 2.2005 3.7869 3.9051 4.0277 4.0605 4.1356 4.1790 4.4816 4.5510 4.7931 4.8528 9.3442 9.5304 10.4834 10.4877 11.9544 12.1187 13.2685 13.4744 k = 0.5000 0.1404 0.4138 ( 1984 PWs) bands (ev): -7.5424 -7.5402 0.2968 0.4797 1.4301 1.6821 2.1899 2.2102 3.7919 3.9064 4.0334 4.0619 4.1315 4.1819 4.5173 4.5790 4.8170 4.8742 9.2652 9.4414 10.4926 10.5040 11.9731 12.1400 13.1966 13.3870 k = 0.5000 0.1482 0.4027 ( 1982 PWs) bands (ev): -7.5506 -7.5484 0.2829 0.4502 1.4783 1.7131 2.2002 2.2197 3.7973 3.9074 4.0391 4.0632 4.1278 4.1839 4.5544 4.6083 4.8414 4.8961 9.1828 9.3494 10.5078 10.5261 11.9774 12.1398 13.1447 13.3128 k = 0.5000 0.1560 0.3917 ( 1986 PWs) bands (ev): -7.5586 -7.5565 0.2688 0.4215 1.5264 1.7447 2.2103 2.2290 3.8030 3.9083 4.0447 4.0644 4.1245 4.1853 4.5927 4.6389 4.8659 4.9184 9.0974 9.2551 10.5293 10.5533 11.9649 12.1156 13.1190 13.2586 k = 0.5000 0.1638 0.3807 ( 1980 PWs) bands (ev): -7.5665 -7.5645 0.2547 0.3938 1.5739 1.7764 2.2203 2.2381 3.8090 3.9090 4.0503 4.0656 4.1220 4.1862 4.6320 4.6709 4.8905 4.9408 9.0096 9.1587 10.5569 10.5854 11.9353 12.0692 13.1190 13.2262 k = 0.5000 0.1716 0.3696 ( 1980 PWs) bands (ev): -7.5743 -7.5724 0.2406 0.3671 1.6203 1.8076 2.2303 2.2472 3.8151 3.9096 4.0554 4.0666 4.1201 4.1867 4.6719 4.7040 4.9150 4.9632 8.9200 9.0608 10.5902 10.6222 11.8905 12.0061 13.1394 13.2141 k = 0.5000 0.1794 0.3586 ( 1976 PWs) bands (ev): -7.5818 -7.5800 0.2269 0.3415 1.6654 1.8380 2.2405 2.2564 3.8214 3.9099 4.0600 4.0675 4.1191 4.1868 4.7125 4.7385 4.9393 4.9852 8.8292 8.9620 10.6289 10.6633 11.8342 11.9329 13.1733 13.2181 k = 0.5000 0.1872 0.3476 ( 1978 PWs) bands (ev): -7.5890 -7.5873 0.2136 0.3172 1.7086 1.8668 2.2508 2.2656 3.8276 3.9101 4.0638 4.0684 4.1190 4.1866 4.7533 4.7741 4.9633 5.0067 8.7379 8.8628 10.6724 10.7083 11.7707 11.8549 13.2142 13.2334 k = 0.5000 0.1951 0.3365 ( 1974 PWs) bands (ev): -7.5959 -7.5943 0.2009 0.2942 1.7495 1.8936 2.2616 2.2749 3.8339 3.9102 4.0669 4.0693 4.1201 4.1862 4.7941 4.8107 4.9870 5.0276 8.6469 8.7639 10.7201 10.7568 11.7038 11.7762 13.2539 13.2576 k = 0.5000 0.2029 0.3255 ( 1980 PWs) bands (ev): -7.6024 -7.6009 0.1890 0.2726 1.7880 1.9182 2.2726 2.2844 3.8399 3.9099 4.0688 4.0702 4.1220 4.1854 4.8341 4.8481 5.0102 5.0476 8.5571 8.6661 10.7714 10.8083 11.6368 11.6995 13.2776 13.2967 k = 0.5000 0.2107 0.3145 ( 1980 PWs) bands (ev): -7.6084 -7.6071 0.1780 0.2524 1.8236 1.9401 2.2839 2.2940 3.8459 3.9095 4.0699 4.0711 4.1249 4.1845 4.8730 4.8857 5.0331 5.0668 8.4695 8.5704 10.8256 10.8619 11.5721 11.6267 13.2985 13.3301 k = 0.5000 0.2185 0.3034 ( 1982 PWs) bands (ev): -7.6141 -7.6128 0.1680 0.2337 1.8561 1.9591 2.2954 2.3036 3.8518 3.9088 4.0706 4.0718 4.1284 4.1833 4.9103 4.9227 5.0557 5.0852 8.3852 8.4777 10.8817 10.9170 11.5113 11.5589 13.3143 13.3545 k = 0.5000 0.2263 0.2924 ( 1982 PWs) bands (ev): -7.6192 -7.6181 0.1591 0.2165 1.8854 1.9753 2.3069 2.3133 3.8574 3.9080 4.0711 4.0722 4.1324 4.1820 4.9452 4.9581 5.0782 5.1029 8.3053 8.3891 10.9388 10.9723 11.4557 11.4971 13.3231 13.3682 k = 0.5000 0.2341 0.2814 ( 1980 PWs) bands (ev): -7.6237 -7.6228 0.1514 0.2009 1.9114 1.9886 2.3180 2.3227 3.8627 3.9069 4.0715 4.0724 4.1366 4.1805 4.9772 4.9905 5.1007 5.1202 8.2310 8.3059 10.9955 11.0268 11.4060 11.4416 13.3241 13.3707 k = 0.5000 0.2419 0.2703 ( 1978 PWs) bands (ev): -7.6278 -7.6269 0.1450 0.1869 1.9342 1.9991 2.3285 2.3317 3.8679 3.9056 4.0718 4.0725 4.1409 4.1788 5.0055 5.0189 5.1231 5.1371 8.1637 8.2291 11.0505 11.0790 11.3628 11.3930 13.3177 13.3627 k = 0.5000 0.2497 0.2593 ( 1978 PWs) bands (ev): -7.6312 -7.6305 0.1400 0.1745 1.9538 2.0069 2.3380 2.3400 3.8726 3.9040 4.0721 4.0725 4.1451 4.1768 5.0295 5.0423 5.1450 5.1539 8.1048 8.1603 11.1021 11.1272 11.3264 11.3513 13.3056 13.3465 k = 0.5000 0.2575 0.2483 ( 1976 PWs) bands (ev): -7.6340 -7.6335 0.1364 0.1638 1.9704 2.0121 2.3463 2.3473 3.8771 3.9021 4.0723 4.0725 4.1492 4.1747 5.0489 5.0605 5.1653 5.1701 8.0554 8.1006 11.1484 11.1694 11.2972 11.3169 13.2904 13.3251 k = 0.5000 0.2653 0.2372 ( 1976 PWs) bands (ev): -7.6362 -7.6358 0.1343 0.1547 1.9842 2.0150 2.3529 2.3534 3.8813 3.9000 4.0724 4.0725 4.1532 4.1723 5.0639 5.0734 5.1826 5.1848 8.0169 8.0512 11.1874 11.2036 11.2756 11.2900 13.2751 13.3023 k = 0.5000 0.2731 0.2262 ( 1976 PWs) bands (ev): -7.6378 -7.6375 0.1337 0.1472 1.9953 2.0156 2.3578 2.3579 3.8852 3.8976 4.0724 4.0725 4.1570 4.1697 5.0748 5.0816 5.1960 5.1966 7.9902 8.0134 11.2165 11.2268 11.2628 11.2712 13.2628 13.2815 k = 0.5000 0.2809 0.2152 ( 1976 PWs) bands (ev): -7.6387 -7.6386 0.1347 0.1414 2.0038 2.0139 2.3608 2.3608 3.8887 3.8950 4.0725 4.0725 4.1605 4.1669 5.0820 5.0855 5.2043 5.2043 7.9763 7.9879 11.2323 11.2357 11.2607 11.2625 13.2562 13.2657 k = 0.5000 0.2887 0.2041 ( 1946 PWs) bands (ev): -7.6389 -7.6389 0.1372 0.1372 2.0101 2.0101 2.3619 2.3619 3.8922 3.8922 4.0727 4.0727 4.1640 4.1640 5.0858 5.0858 5.2072 5.2072 7.9755 7.9755 11.2361 11.2361 11.2619 11.2619 13.2570 13.2570 k = 0.5000 0.2887 0.2041 ( 1946 PWs) bands (ev): -7.6389 -7.6389 0.1372 0.1372 2.0101 2.0101 2.3619 2.3619 3.8922 3.8922 4.0727 4.0727 4.1640 4.1640 5.0858 5.0858 5.2072 5.2072 7.9755 7.9755 11.2361 11.2361 11.2619 11.2619 13.2570 13.2570 k = 0.4961 0.2864 0.2169 ( 1976 PWs) bands (ev): -7.6387 -7.6386 0.1347 0.1414 2.0038 2.0139 2.3608 2.3608 3.8887 3.8950 4.0725 4.0725 4.1605 4.1669 5.0820 5.0855 5.2043 5.2043 7.9763 7.9879 11.2325 11.2354 11.2613 11.2619 13.2562 13.2657 k = 0.4922 0.2842 0.2296 ( 1976 PWs) bands (ev): -7.6378 -7.6375 0.1337 0.1472 1.9952 2.0156 2.3578 2.3579 3.8852 3.8976 4.0724 4.0724 4.1570 4.1697 5.0748 5.0815 5.1962 5.1963 7.9903 8.0135 11.2180 11.2245 11.2664 11.2684 13.2628 13.2815 k = 0.4883 0.2819 0.2424 ( 1976 PWs) bands (ev): -7.6362 -7.6358 0.1343 0.1547 1.9841 2.0150 2.3529 2.3533 3.8813 3.9000 4.0724 4.0724 4.1532 4.1723 5.0639 5.0733 5.1834 5.1839 8.0170 8.0514 11.1905 11.1993 11.2819 11.2847 13.2751 13.3024 k = 0.4844 0.2797 0.2552 ( 1976 PWs) bands (ev): -7.6340 -7.6335 0.1364 0.1638 1.9704 2.0121 2.3462 2.3473 3.8771 3.9021 4.0723 4.0724 4.1492 4.1747 5.0490 5.0600 5.1669 5.1684 8.0556 8.1008 11.1532 11.1636 11.3059 11.3092 13.2903 13.3253 k = 0.4805 0.2774 0.2679 ( 1977 PWs) bands (ev): -7.6312 -7.6305 0.1400 0.1746 1.9537 2.0068 2.3380 2.3399 3.8726 3.9040 4.0722 4.0724 4.1451 4.1768 5.0299 5.0412 5.1479 5.1513 8.1050 8.1605 11.1088 11.1201 11.3373 11.3411 13.3052 13.3466 k = 0.4766 0.2751 0.2807 ( 1979 PWs) bands (ev): -7.6277 -7.6269 0.1451 0.1870 1.9340 1.9989 2.3285 2.3316 3.8678 3.9056 4.0719 4.0724 4.1408 4.1788 5.0066 5.0164 5.1274 5.1338 8.1640 8.2291 11.0597 11.0710 11.3757 11.3800 13.3165 13.3625 k = 0.4727 0.2729 0.2934 ( 1979 PWs) bands (ev): -7.6237 -7.6228 0.1515 0.2010 1.9111 1.9884 2.3181 2.3227 3.8627 3.9069 4.0716 4.0725 4.1365 4.1805 4.9793 4.9862 5.1062 5.1166 8.2309 8.3052 11.0079 11.0185 11.4209 11.4256 13.3211 13.3697 k = 0.4688 0.2706 0.3062 ( 1979 PWs) bands (ev): -7.6191 -7.6180 0.1592 0.2167 1.8848 1.9750 2.3071 2.3134 3.8573 3.9080 4.0710 4.0725 4.1322 4.1821 4.9485 4.9515 5.0848 5.0996 8.3044 8.3870 10.9557 10.9645 11.4726 11.4778 13.3168 13.3657 k = 0.4648 0.2684 0.3189 ( 1981 PWs) bands (ev): -7.6140 -7.6128 0.1680 0.2339 1.8552 1.9585 2.2959 2.3040 3.8516 3.9088 4.0701 4.0725 4.1281 4.1835 4.9136 4.9152 5.0633 5.0826 8.3826 8.4729 10.9049 10.9108 11.5308 11.5362 13.3025 13.3491 k = 0.4609 0.2661 0.3317 ( 1981 PWs) bands (ev): -7.6084 -7.6070 0.1780 0.2526 1.8222 1.9390 2.2848 2.2947 3.8456 3.9094 4.0688 4.0727 4.1244 4.1848 4.8736 4.8801 5.0415 5.0653 8.4638 8.5609 10.8574 10.8591 11.5950 11.6008 13.2780 13.3197 k = 0.4570 0.2639 0.3445 ( 1981 PWs) bands (ev): -7.6023 -7.6008 0.1890 0.2728 1.7860 1.9166 2.2742 2.2856 3.8395 3.9097 4.0669 4.0728 4.1212 4.1859 4.8325 4.8441 5.0195 5.0476 8.5463 8.6491 10.8110 10.8151 11.6651 11.6711 13.2440 13.2785 k = 0.4531 0.2616 0.3572 ( 1981 PWs) bands (ev): -7.5958 -7.5942 0.2008 0.2944 1.7468 1.8913 2.2642 2.2769 3.8331 3.9099 4.0644 4.0730 4.1188 4.1868 4.7911 4.8080 4.9973 5.0294 8.6281 8.7353 10.7679 10.7798 11.7409 11.7469 13.2020 13.2272 k = 0.4492 0.2594 0.3700 ( 1983 PWs) bands (ev): -7.5889 -7.5872 0.2134 0.3173 1.7048 1.8634 2.2549 2.2687 3.8266 3.9097 4.0610 4.0732 4.1173 4.1875 4.7499 4.7721 4.9747 5.0108 8.7071 8.8172 10.7312 10.7533 11.8220 11.8279 13.1537 13.1676 k = 0.4453 0.2571 0.3827 ( 1983 PWs) bands (ev): -7.5817 -7.5799 0.2264 0.3414 1.6604 1.8333 2.2464 2.2609 3.8199 3.9094 4.0568 4.0736 4.1167 4.1881 4.7095 4.7371 4.9519 4.9916 8.7815 8.8926 10.7021 10.7374 11.9081 11.9136 13.1012 13.1022 k = 0.4414 0.2548 0.3955 ( 1983 PWs) bands (ev): -7.5742 -7.5723 0.2399 0.3667 1.6141 1.8016 2.2385 2.2536 3.8132 3.9088 4.0519 4.0739 4.1171 4.1885 4.6701 4.7034 4.9288 4.9720 8.8493 8.9593 10.6816 10.7332 11.9990 12.0038 13.0332 13.0466 k = 0.4375 0.2526 0.4082 ( 1980 PWs) bands (ev): -7.5665 -7.5645 0.2535 0.3929 1.5662 1.7687 2.2315 2.2468 3.8064 3.9080 4.0464 4.0744 4.1185 4.1887 4.6320 4.6710 4.9056 4.9522 8.9087 9.0154 10.6700 10.7415 12.0941 12.0977 12.9634 12.9921 k = 0.4336 0.2503 0.4210 ( 1981 PWs) bands (ev): -7.5586 -7.5565 0.2669 0.4199 1.5173 1.7353 2.2250 2.2403 3.7996 3.9070 4.0405 4.0750 4.1206 4.1886 4.5955 4.6404 4.8823 4.9321 8.9584 9.0598 10.6673 10.7621 12.1933 12.1946 12.8954 12.9403 k = 0.4297 0.2481 0.4338 ( 1978 PWs) bands (ev): -7.5506 -7.5485 0.2801 0.4474 1.4679 1.7020 2.2190 2.2343 3.7930 3.9058 4.0345 4.0757 4.1234 4.1883 4.5605 4.6116 4.8590 4.9119 8.9977 9.0921 10.6723 10.7933 12.2934 12.2960 12.8329 12.8935 k = 0.4258 0.2458 0.4465 ( 1978 PWs) bands (ev): -7.5426 -7.5404 0.2926 0.4752 1.4187 1.6693 2.2136 2.2287 3.7865 3.9043 4.0284 4.0766 4.1270 4.1875 4.5272 4.5846 4.8359 4.8916 9.0264 9.1126 10.6832 10.8325 12.3916 12.4016 12.7809 12.8544 k = 0.4219 0.2436 0.4593 ( 1970 PWs) bands (ev): -7.5346 -7.5323 0.3043 0.5028 1.3704 1.6380 2.2085 2.2234 3.7802 3.9027 4.0225 4.0776 4.1312 4.1864 4.4956 4.5599 4.8131 4.8715 9.0450 9.1227 10.6971 10.8753 12.4832 12.5097 12.7484 12.8258 k = 0.4180 0.2413 0.4720 ( 1968 PWs) bands (ev): -7.5267 -7.5243 0.3147 0.5298 1.3237 1.6086 2.2039 2.2185 3.7742 3.9009 4.0168 4.0788 4.1359 4.1847 4.4656 4.5371 4.7905 4.8515 9.0546 9.1237 10.7108 10.9168 12.5532 12.6190 12.7537 12.8107 k = 0.4141 0.2391 0.4848 ( 1968 PWs) bands (ev): -7.5190 -7.5165 0.3237 0.5555 1.2797 1.5818 2.1995 2.2139 3.7685 3.8990 4.0114 4.0801 4.1411 4.1824 4.4373 4.5166 4.7683 4.8317 9.0565 9.1175 10.7206 10.9513 12.5897 12.7264 12.8122 12.8141 k = 0.4102 0.2368 0.4976 ( 1972 PWs) bands (ev): -7.5114 -7.5089 0.3310 0.5791 1.2393 1.5580 2.1955 2.2096 3.7631 3.8969 4.0066 4.0815 4.1468 4.1793 4.4105 4.4984 4.7466 4.8123 9.0520 9.1057 10.7235 10.9738 12.6153 12.8046 12.8640 12.9040 k = 0.4062 0.2345 0.5103 ( 1978 PWs) bands (ev): -7.5042 -7.5017 0.3363 0.5993 1.2041 1.5378 2.1918 2.2057 3.7582 3.8947 4.0022 4.0832 4.1529 4.1754 4.3853 4.4824 4.7255 4.7933 9.0427 9.0898 10.7171 10.9805 12.6525 12.8461 12.9676 13.0079 k = 0.4023 0.2323 0.5231 ( 1974 PWs) bands (ev): -7.4973 -7.4948 0.3395 0.6151 1.1753 1.5216 2.1883 2.2021 3.7539 3.8927 3.9986 4.0851 4.1595 4.1708 4.3616 4.4689 4.7052 4.7748 9.0296 9.0711 10.7001 10.9696 12.7086 12.8961 13.0782 13.1156 k = 0.3984 0.2300 0.5358 ( 1978 PWs) bands (ev): -7.4909 -7.4883 0.3406 0.6250 1.1546 1.5095 2.1852 2.1988 3.7502 3.8906 3.9956 4.0871 4.1652 4.1664 4.3394 4.4577 4.6855 4.7568 9.0141 9.0505 10.6721 10.9418 12.7838 12.9587 13.1886 13.2236 k = 0.3945 0.2278 0.5486 ( 1975 PWs) bands (ev): -7.4850 -7.4824 0.3395 0.6281 1.1431 1.5018 2.1823 2.1959 3.7472 3.8888 3.9934 4.0894 4.1588 4.1735 4.3188 4.4488 4.6668 4.7396 8.9969 9.0290 10.6339 10.8989 12.8748 13.0313 13.2969 13.3300 k = 0.3906 0.2255 0.5613 ( 1973 PWs) bands (ev): -7.4797 -7.4770 0.3365 0.6241 1.1412 1.4984 2.1797 2.1933 3.7449 3.8872 3.9919 4.0919 4.1517 4.1808 4.2998 4.4421 4.6489 4.7230 8.9788 9.0073 10.5865 10.8437 12.9765 13.1092 13.4020 13.4331 k = 0.3867 0.2233 0.5741 ( 1971 PWs) bands (ev): -7.4750 -7.4724 0.3316 0.6134 1.1486 1.4993 2.1775 2.1911 3.7434 3.8860 3.9910 4.0944 4.1440 4.1878 4.2828 4.4376 4.6320 4.7072 8.9605 8.9858 10.5315 10.7791 13.0821 13.1865 13.5025 13.5313 k = 0.3828 0.2210 0.5869 ( 1969 PWs) bands (ev): -7.4710 -7.4684 0.3253 0.5975 1.1639 1.5042 2.1756 2.1893 3.7428 3.8852 3.9909 4.0967 4.1361 4.1940 4.2683 4.4350 4.6163 4.6922 8.9425 8.9650 10.4704 10.7074 13.1838 13.2564 13.5965 13.6226 k = 0.3789 0.2188 0.5996 ( 1960 PWs) bands (ev): -7.4678 -7.4652 0.3179 0.5778 1.1858 1.5128 2.1741 2.1880 3.7431 3.8849 3.9915 4.0985 4.1286 4.1982 4.2576 4.4342 4.6017 4.6783 8.9251 8.9452 10.4045 10.6308 13.2720 13.3125 13.6815 13.7044 k = 0.3750 0.2165 0.6124 ( 1954 PWs) bands (ev): -7.4654 -7.4628 0.3098 0.5559 1.2125 1.5247 2.1730 2.1871 3.7443 3.8849 3.9928 4.0983 4.1229 4.1984 4.2526 4.4351 4.5884 4.6652 8.9087 8.9267 10.3352 10.5511 13.3379 13.3502 13.7554 13.7739 k = 0.6250-0.0722 0.4082 ( 1954 PWs) bands (ev): -7.4654 -7.4628 0.3098 0.5559 1.2125 1.5247 2.1730 2.1871 3.7443 3.8849 3.9928 4.0983 4.1229 4.1984 4.2526 4.4351 4.5884 4.6652 8.9087 8.9267 10.3352 10.5511 13.3379 13.3502 13.7554 13.7739 k = 0.6184-0.0836 0.4082 ( 1958 PWs) bands (ev): -7.4623 -7.4598 0.2956 0.5188 1.2614 1.5485 2.1720 2.1863 3.7476 3.8855 3.9958 4.0920 4.1194 4.1942 4.2502 4.4373 4.5676 4.6444 8.8824 8.8972 10.2128 10.4120 13.4012 13.4280 13.8707 13.8810 k = 0.6118-0.0950 0.4082 ( 1958 PWs) bands (ev): -7.4598 -7.4573 0.2811 0.4832 1.3106 1.5743 2.1719 2.1863 3.7520 3.8861 3.9998 4.0816 4.1206 4.1895 4.2483 4.4387 4.5484 4.6248 8.8568 8.8686 10.0854 10.2691 13.4608 13.5218 13.9885 13.9911 k = 0.6053-0.1064 0.4082 ( 1962 PWs) bands (ev): -7.4576 -7.4553 0.2664 0.4491 1.3598 1.6014 2.1730 2.1873 3.7574 3.8869 4.0045 4.0698 4.1235 4.1845 4.2467 4.4389 4.5308 4.6063 8.8322 8.8411 9.9551 10.1246 13.5286 13.6195 14.1039 14.1083 k = 0.5987-0.1177 0.4082 ( 1968 PWs) bands (ev): -7.4558 -7.4536 0.2517 0.4166 1.4085 1.6292 2.1754 2.1893 3.7639 3.8876 4.0100 4.0578 4.1270 4.1796 4.2453 4.4376 4.5155 4.5889 8.8086 8.8147 9.8238 9.9805 13.6038 13.7208 14.2191 14.2299 k = 0.5921-0.1291 0.4082 ( 1968 PWs) bands (ev): -7.4544 -7.4522 0.2372 0.3858 1.4561 1.6569 2.1792 2.1924 3.7716 3.8883 4.0164 4.0462 4.1307 4.1748 4.2439 4.4343 4.5027 4.5726 8.7861 8.7895 9.6934 9.8384 13.6853 13.8252 14.3362 14.3531 k = 0.5855-0.1405 0.4082 ( 1980 PWs) bands (ev): -7.4532 -7.4512 0.2232 0.3567 1.5020 1.6838 2.1846 2.1968 3.7803 3.8889 4.0234 4.0349 4.1343 4.1700 4.2427 4.4287 4.4926 4.5573 8.7647 8.7654 9.5655 9.6998 13.7722 13.9321 14.4547 14.4776 k = 0.5789-0.1519 0.4082 ( 1980 PWs) bands (ev): -7.4524 -7.4504 0.2098 0.3293 1.5459 1.7094 2.1917 2.2025 3.7901 3.8894 4.0243 4.0310 4.1379 4.1654 4.2418 4.4211 4.4853 4.5431 8.7425 8.7444 9.4416 9.5662 13.8635 14.0408 14.5740 14.6029 k = 0.5724-0.1633 0.4082 ( 1976 PWs) bands (ev): -7.4517 -7.4499 0.1972 0.3037 1.5871 1.7330 2.2004 2.2095 3.8009 3.8900 4.0143 4.0388 4.1415 4.1608 4.2416 4.4120 4.4799 4.5301 8.7206 8.7252 9.3232 9.4387 13.9581 14.1503 14.6933 14.7285 k = 0.5658-0.1747 0.4082 ( 1986 PWs) bands (ev): -7.4512 -7.4496 0.1856 0.2799 1.6253 1.7541 2.2106 2.2179 3.8124 3.8904 4.0050 4.0464 4.1446 4.1560 4.2421 4.4022 4.4757 4.5179 8.6998 8.7070 9.2116 9.3186 14.0551 14.2597 14.8119 14.8539 k = 0.5592-0.1861 0.4082 ( 1986 PWs) bands (ev): -7.4508 -7.4494 0.1750 0.2580 1.6600 1.7725 2.2221 2.2274 3.8247 3.8908 3.9967 4.0536 4.1475 4.1512 4.2439 4.3924 4.4722 4.5068 8.6798 8.6896 9.1082 9.2071 14.1534 14.3676 14.9287 14.9782 k = 0.5526-0.1975 0.4082 ( 1982 PWs) bands (ev): -7.4506 -7.4493 0.1656 0.2379 1.6912 1.7880 2.2345 2.2378 3.8374 3.8912 3.9895 4.0595 4.1467 4.1499 4.2471 4.3829 4.4689 4.4967 8.6604 8.6726 9.0143 9.1053 14.2520 14.4725 15.0424 15.1006 k = 0.5461-0.2089 0.4082 ( 1982 PWs) bands (ev): -7.4505 -7.4493 0.1576 0.2197 1.7186 1.8007 2.2472 2.2489 3.8502 3.8917 3.9837 4.0633 4.1428 4.1519 4.2520 4.3738 4.4656 4.4874 8.6413 8.6555 8.9316 9.0145 14.3497 14.5723 15.1516 15.2196 k = 0.5395-0.2203 0.4082 ( 1986 PWs) bands (ev): -7.4504 -7.4494 0.1509 0.2033 1.7424 1.8106 2.2597 2.2600 3.8625 3.8922 3.9797 4.0642 4.1400 4.1532 4.2584 4.3652 4.4622 4.4790 8.6222 8.6373 8.8618 8.9357 14.4452 14.6643 15.2545 15.3338 k = 0.5329-0.2317 0.4082 ( 1986 PWs) bands (ev): -7.4504 -7.4495 0.1458 0.1889 1.7626 1.8178 2.2708 2.2715 3.8737 3.8928 3.9780 4.0617 4.1390 4.1540 4.2663 4.3570 4.4589 4.4716 8.6029 8.6174 8.8066 8.8700 14.5370 14.7453 15.3497 15.4407 k = 0.5263-0.2431 0.4082 ( 1982 PWs) bands (ev): -7.4503 -7.4496 0.1422 0.1763 1.7796 1.8225 2.2807 2.2818 3.8830 3.8936 3.9792 4.0559 4.1396 4.1541 4.2755 4.3492 4.4559 4.4652 8.5837 8.5956 8.7668 8.8177 14.6233 14.8114 15.4364 15.5377 k = 0.5197-0.2545 0.4082 ( 1982 PWs) bands (ev): -7.4503 -7.4498 0.1403 0.1657 1.7934 1.8250 2.2891 2.2903 3.8897 3.8945 3.9837 4.0474 4.1413 4.1536 4.2853 4.3413 4.4534 4.4598 8.5656 8.5738 8.7410 8.7785 14.7021 14.8585 15.5149 15.6209 k = 0.5132-0.2659 0.4082 ( 1982 PWs) bands (ev): -7.4503 -7.4499 0.1401 0.1569 1.8045 1.8252 2.2956 2.2966 3.8939 3.8953 3.9914 4.0368 4.1437 4.1525 4.2954 4.3331 4.4515 4.4556 8.5505 8.5551 8.7268 8.7509 14.7708 14.8837 15.5863 15.6851 k = 0.5066-0.2773 0.4082 ( 1976 PWs) bands (ev): -7.4502 -7.4500 0.1416 0.1499 1.8131 1.8234 2.2998 2.3003 3.8959 3.8961 4.0016 4.0252 4.1463 4.1508 4.3056 4.3246 4.4508 4.4527 8.5405 8.5425 8.7214 8.7331 14.8265 14.8859 15.6504 15.7193 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -7.4501 -7.4501 0.1448 0.1448 1.8194 1.8194 2.3014 2.3014 3.8965 3.8965 4.0132 4.0132 4.1488 4.1488 4.3155 4.3155 4.4512 4.4512 8.5376 8.5376 8.7236 8.7236 14.8659 14.8659 15.7023 15.7023 Writing output data file CuI.save init_run : 2.99s CPU 13.41s WALL ( 1 calls) electrons : 149.85s CPU 154.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.26s CPU 1.39s WALL ( 1 calls) Called by electrons: c_bands : 149.83s CPU 154.13s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.81s WALL ( 1 calls) v_h : 0.00s CPU 0.02s WALL ( 1 calls) v_xc : 0.11s CPU 0.39s WALL ( 1 calls) newd : 0.16s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.14s WALL ( 347 calls) cegterg : 110.22s CPU 111.06s WALL ( 467 calls) Called by sum_band: Called by *egterg: h_psi : 60.24s CPU 64.09s WALL ( 7556 calls) s_psi : 5.08s CPU 5.57s WALL ( 7556 calls) g_psi : 0.07s CPU 0.15s WALL ( 6742 calls) cdiaghg : 30.93s CPU 29.90s WALL ( 7089 calls) cegterg:over : 9.26s CPU 7.89s WALL ( 6742 calls) cegterg:upda : 0.51s CPU 1.28s WALL ( 6742 calls) cegterg:last : 0.60s CPU 1.08s WALL ( 1505 calls) Called by h_psi: h_psi:vloc : 50.71s CPU 54.10s WALL ( 7556 calls) h_psi:vnl : 9.50s CPU 9.83s WALL ( 7556 calls) add_vuspsi : 2.28s CPU 3.80s WALL ( 7556 calls) General routines calbec : 7.20s CPU 5.95s WALL ( 7556 calls) fft : 0.39s CPU 1.21s WALL ( 19 calls) ffts : 0.01s CPU 0.09s WALL ( 4 calls) fftw : 48.96s CPU 51.74s WALL ( 457900 calls) interpolate : 0.02s CPU 0.11s WALL ( 4 calls) davcio : 0.02s CPU 1.36s WALL ( 694 calls) Parallel routines fft_scatter : 34.03s CPU 35.99s WALL ( 457923 calls) PWSCF : 3m 8.38s CPU 5m 7.82s WALL This run was terminated on: 22:16:56 25Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=