Program PWSCF v.5.1.1 starts on 27Aug2015 at 13: 4: 8 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: ./TlP.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 19 17 5 409 322 54 Max 20 18 6 416 333 57 Sum 955 835 253 19891 15665 2637 bravais-lattice index = 14 lattice parameter (alat) = 8.1778 a.u. unit-cell volume = 386.7148 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 211.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.177777 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 Tl read from file: /home/autes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 P read from file: /home/autes/Pseudo/P.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: 782f947b08835e3b01fca5c2a6fe19fa Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) P 5.00 30.97380 P( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0055514 0.0078509), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0111029 0.0157019), wk = 0.0028902 k( 4) = ( 0.0288462 -0.0166543 0.0235528), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0277572 0.0392546), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0333087 0.0471056), wk = 0.0028902 k( 8) = ( 0.0673077 -0.0388601 0.0549565), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0499630 0.0706584), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0555145 0.0785093), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0610659 0.0863602), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0028902 k( 14) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0028902 k( 15) = ( 0.1346154 -0.0777202 0.1099130), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0832717 0.1177639), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0943746 0.1334658), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0999260 0.1413167), wk = 0.0028902 k( 20) = ( 0.1826923 -0.1054775 0.1491676), wk = 0.0028902 k( 21) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0028902 k( 22) = ( 0.2019231 -0.1165803 0.1648695), wk = 0.0028902 k( 23) = ( 0.2115385 -0.1221318 0.1727204), wk = 0.0028902 k( 24) = ( 0.2211539 -0.1276832 0.1805714), wk = 0.0028902 k( 25) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0028902 k( 26) = ( 0.2403846 -0.1387861 0.1962732), wk = 0.0028902 k( 27) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028902 k( 28) = ( 0.2596154 -0.1498890 0.2119751), wk = 0.0028902 k( 29) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0028902 k( 30) = ( 0.2788462 -0.1609919 0.2276769), wk = 0.0028902 k( 31) = ( 0.2884615 -0.1665433 0.2355279), wk = 0.0028902 k( 32) = ( 0.2980769 -0.1720948 0.2433788), wk = 0.0028902 k( 33) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0028902 k( 34) = ( 0.3173077 -0.1831977 0.2590806), wk = 0.0028902 k( 35) = ( 0.3269231 -0.1887491 0.2669316), wk = 0.0028902 k( 36) = ( 0.3365385 -0.1943006 0.2747825), wk = 0.0028902 k( 37) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0028902 k( 38) = ( 0.3557692 -0.2054035 0.2904844), wk = 0.0028902 k( 39) = ( 0.3653846 -0.2109549 0.2983353), wk = 0.0028902 k( 40) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0028902 k( 41) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0028902 k( 42) = ( 0.3942308 -0.2276092 0.3218881), wk = 0.0028902 k( 43) = ( 0.4038462 -0.2331607 0.3297390), wk = 0.0028902 k( 44) = ( 0.4134615 -0.2387121 0.3375899), wk = 0.0028902 k( 45) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0028902 k( 46) = ( 0.4326923 -0.2498150 0.3532918), wk = 0.0028902 k( 47) = ( 0.4423077 -0.2553665 0.3611427), wk = 0.0028902 k( 48) = ( 0.4519231 -0.2609179 0.3689936), wk = 0.0028902 k( 49) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0028902 k( 50) = ( 0.4711538 -0.2720208 0.3846955), wk = 0.0028902 k( 51) = ( 0.4807692 -0.2775722 0.3925464), wk = 0.0028902 k( 52) = ( 0.4903846 -0.2831237 0.4003974), wk = 0.0028902 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 55) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0028902 k( 56) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0028902 k( 57) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0028902 k( 58) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0028902 k( 59) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0028902 k( 60) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0028902 k( 61) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0028902 k( 62) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0028902 k( 63) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0028902 k( 64) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0028902 k( 65) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0028902 k( 66) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0028902 k( 67) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0028902 k( 68) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0028902 k( 69) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0028902 k( 70) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0028902 k( 71) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0028902 k( 72) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0028902 k( 73) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0028902 k( 74) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0028902 k( 75) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0028902 k( 76) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0028902 k( 77) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0028902 k( 78) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0028902 k( 79) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0028902 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 81) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 82) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028902 k( 83) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028902 k( 84) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028902 k( 85) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028902 k( 86) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028902 k( 87) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028902 k( 88) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028902 k( 89) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028902 k( 90) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028902 k( 91) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028902 k( 92) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028902 k( 93) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028902 k( 94) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028902 k( 95) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028902 k( 96) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028902 k( 97) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028902 k( 98) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028902 k( 99) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028902 k( 100) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 101) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 102) = ( 0.3681818 0.2125699 0.6012384), wk = 0.0028902 k( 103) = ( 0.3613636 0.2086334 0.5901043), wk = 0.0028902 k( 104) = ( 0.3545454 0.2046969 0.5789703), wk = 0.0028902 k( 105) = ( 0.3477273 0.2007604 0.5678363), wk = 0.0028902 k( 106) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0028902 k( 107) = ( 0.3340909 0.1928875 0.5455682), wk = 0.0028902 k( 108) = ( 0.3272727 0.1889510 0.5344341), wk = 0.0028902 k( 109) = ( 0.3204546 0.1850145 0.5233001), wk = 0.0028902 k( 110) = ( 0.3136364 0.1810780 0.5121660), wk = 0.0028902 k( 111) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0028902 k( 112) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0028902 k( 113) = ( 0.2931818 0.1692686 0.4787639), wk = 0.0028902 k( 114) = ( 0.2863636 0.1653321 0.4676299), wk = 0.0028902 k( 115) = ( 0.2795454 0.1613956 0.4564958), wk = 0.0028902 k( 116) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0028902 k( 117) = ( 0.2659091 0.1535227 0.4342277), wk = 0.0028902 k( 118) = ( 0.2590909 0.1495862 0.4230937), wk = 0.0028902 k( 119) = ( 0.2522727 0.1456497 0.4119596), wk = 0.0028902 k( 120) = ( 0.2454545 0.1417133 0.4008256), wk = 0.0028902 k( 121) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0028902 k( 122) = ( 0.2318182 0.1338403 0.3785575), wk = 0.0028902 k( 123) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0028902 k( 124) = ( 0.2181818 0.1259673 0.3562894), wk = 0.0028902 k( 125) = ( 0.2113636 0.1220309 0.3451554), wk = 0.0028902 k( 126) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0028902 k( 127) = ( 0.1977273 0.1141579 0.3228873), wk = 0.0028902 k( 128) = ( 0.1909091 0.1102214 0.3117532), wk = 0.0028902 k( 129) = ( 0.1840909 0.1062849 0.3006192), wk = 0.0028902 k( 130) = ( 0.1772727 0.1023485 0.2894851), wk = 0.0028902 k( 131) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0028902 k( 132) = ( 0.1636364 0.0944755 0.2672171), wk = 0.0028902 k( 133) = ( 0.1568182 0.0905390 0.2560830), wk = 0.0028902 k( 134) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0028902 k( 135) = ( 0.1431818 0.0826661 0.2338149), wk = 0.0028902 k( 136) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0028902 k( 137) = ( 0.1295455 0.0747931 0.2115468), wk = 0.0028902 k( 138) = ( 0.1227273 0.0708566 0.2004128), wk = 0.0028902 k( 139) = ( 0.1159091 0.0669201 0.1892788), wk = 0.0028902 k( 140) = ( 0.1090909 0.0629837 0.1781447), wk = 0.0028902 k( 141) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0028902 k( 142) = ( 0.0954545 0.0551107 0.1558766), wk = 0.0028902 k( 143) = ( 0.0886364 0.0511742 0.1447426), wk = 0.0028902 k( 144) = ( 0.0818182 0.0472377 0.1336085), wk = 0.0028902 k( 145) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0028902 k( 146) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0028902 k( 147) = ( 0.0613636 0.0354283 0.1002064), wk = 0.0028902 k( 148) = ( 0.0545455 0.0314918 0.0890724), wk = 0.0028902 k( 149) = ( 0.0477273 0.0275554 0.0779383), wk = 0.0028902 k( 150) = ( 0.0409091 0.0236189 0.0668043), wk = 0.0028902 k( 151) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0028902 k( 152) = ( 0.0272727 0.0157459 0.0445362), wk = 0.0028902 k( 153) = ( 0.0204545 0.0118094 0.0334021), wk = 0.0028902 k( 154) = ( 0.0136364 0.0078730 0.0222681), wk = 0.0028902 k( 155) = ( 0.0068182 0.0039365 0.0111340), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0064150 0.0045361), wk = 0.0028902 k( 159) = ( 0.0222222 0.0128300 0.0090722), wk = 0.0028902 k( 160) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0028902 k( 161) = ( 0.0444444 0.0256600 0.0181444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0028902 k( 163) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0028902 k( 164) = ( 0.0777778 0.0449050 0.0317526), wk = 0.0028902 k( 165) = ( 0.0888889 0.0513200 0.0362887), wk = 0.0028902 k( 166) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0028902 k( 167) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0028902 k( 168) = ( 0.1222222 0.0705650 0.0498970), wk = 0.0028902 k( 169) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0028902 k( 170) = ( 0.1444444 0.0833950 0.0589692), wk = 0.0028902 k( 171) = ( 0.1555556 0.0898100 0.0635053), wk = 0.0028902 k( 172) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0028902 k( 173) = ( 0.1777778 0.1026400 0.0725775), wk = 0.0028902 k( 174) = ( 0.1888889 0.1090551 0.0771136), wk = 0.0028902 k( 175) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0028902 k( 176) = ( 0.2111111 0.1218851 0.0861857), wk = 0.0028902 k( 177) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0028902 k( 178) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0028902 k( 179) = ( 0.2444444 0.1411301 0.0997940), wk = 0.0028902 k( 180) = ( 0.2555556 0.1475451 0.1043301), wk = 0.0028902 k( 181) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0028902 k( 182) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0028902 k( 183) = ( 0.2888889 0.1667901 0.1179384), wk = 0.0028902 k( 184) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0028902 k( 185) = ( 0.3111111 0.1796201 0.1270106), wk = 0.0028902 k( 186) = ( 0.3222222 0.1860351 0.1315467), wk = 0.0028902 k( 187) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0028902 k( 188) = ( 0.3444444 0.1988651 0.1406189), wk = 0.0028902 k( 189) = ( 0.3555556 0.2052801 0.1451549), wk = 0.0028902 k( 190) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0028902 k( 191) = ( 0.3777778 0.2181101 0.1542271), wk = 0.0028902 k( 192) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0028902 k( 193) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0028902 k( 194) = ( 0.4111111 0.2373551 0.1678354), wk = 0.0028902 k( 195) = ( 0.4222222 0.2437701 0.1723715), wk = 0.0028902 k( 196) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0028902 k( 197) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0028902 k( 198) = ( 0.4555556 0.2630151 0.1859798), wk = 0.0028902 k( 199) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0028902 k( 200) = ( 0.4777778 0.2758451 0.1950520), wk = 0.0028902 k( 201) = ( 0.4888889 0.2822601 0.1995881), wk = 0.0028902 k( 202) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 203) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 204) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028902 k( 205) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028902 k( 206) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028902 k( 207) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028902 k( 208) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028902 k( 209) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028902 k( 210) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028902 k( 211) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028902 k( 212) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028902 k( 213) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028902 k( 214) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028902 k( 215) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028902 k( 216) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028902 k( 217) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028902 k( 218) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028902 k( 219) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028902 k( 220) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028902 k( 221) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028902 k( 222) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028902 k( 223) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028902 k( 224) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028902 k( 225) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028902 k( 226) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028902 k( 227) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028902 k( 228) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028902 k( 229) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028902 k( 230) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028902 k( 231) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028902 k( 232) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028902 k( 233) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028902 k( 234) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028902 k( 235) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 236) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 237) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028902 k( 238) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028902 k( 239) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028902 k( 240) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028902 k( 241) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028902 k( 242) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028902 k( 243) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028902 k( 244) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028902 k( 245) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028902 k( 246) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028902 k( 247) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028902 k( 248) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028902 k( 249) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028902 k( 250) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028902 k( 251) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028902 k( 252) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028902 k( 253) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028902 k( 254) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028902 k( 255) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 256) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 257) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028902 k( 258) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028902 k( 259) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028902 k( 260) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028902 k( 261) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028902 k( 262) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028902 k( 263) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028902 k( 264) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028902 k( 265) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028902 k( 266) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028902 k( 267) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028902 k( 268) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028902 k( 269) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028902 k( 270) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028902 k( 271) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028902 k( 272) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028902 k( 273) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028902 k( 274) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028902 k( 275) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028902 k( 276) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028902 k( 277) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028902 k( 278) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028902 k( 279) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028902 k( 280) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028902 k( 281) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028902 k( 282) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028902 k( 283) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028902 k( 284) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028902 k( 285) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028902 k( 286) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028902 k( 287) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028902 k( 288) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028902 k( 289) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028902 k( 290) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028902 k( 291) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028902 k( 292) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028902 k( 293) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 294) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 295) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028902 k( 296) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028902 k( 297) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028902 k( 298) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028902 k( 299) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028902 k( 300) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028902 k( 301) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028902 k( 302) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028902 k( 303) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028902 k( 304) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028902 k( 305) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028902 k( 306) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028902 k( 307) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028902 k( 308) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028902 k( 309) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028902 k( 310) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028902 k( 311) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028902 k( 312) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028902 k( 313) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028902 k( 314) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028902 k( 315) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028902 k( 316) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028902 k( 317) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028902 k( 318) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028902 k( 319) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028902 k( 320) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028902 k( 321) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028902 k( 322) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028902 k( 323) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028902 k( 324) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028902 k( 325) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028902 k( 326) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 327) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 328) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028902 k( 329) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028902 k( 330) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028902 k( 331) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028902 k( 332) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028902 k( 333) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028902 k( 334) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028902 k( 335) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028902 k( 336) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028902 k( 337) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028902 k( 338) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028902 k( 339) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028902 k( 340) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028902 k( 341) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028902 k( 342) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028902 k( 343) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028902 k( 344) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028902 k( 345) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028902 k( 346) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0000000 0.0096154), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0000000 0.0192308), wk = 0.0028902 k( 4) = ( 0.0288462 0.0000000 0.0288462), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0000000 0.0384615), wk = 0.0028902 k( 6) = ( 0.0480769 0.0000000 0.0480769), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0000000 0.0576923), wk = 0.0028902 k( 8) = ( 0.0673077 0.0000000 0.0673077), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0000000 0.0865385), wk = 0.0028902 k( 11) = ( 0.0961538 0.0000000 0.0961538), wk = 0.0028902 k( 12) = ( 0.1057692 0.0000000 0.1057692), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0028902 k( 14) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0028902 k( 15) = ( 0.1346154 0.0000000 0.1346154), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0000000 0.1442308), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0000000 0.1538461), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0000000 0.1634615), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0000000 0.1730769), wk = 0.0028902 k( 20) = ( 0.1826923 0.0000000 0.1826923), wk = 0.0028902 k( 21) = ( 0.1923077 0.0000000 0.1923077), wk = 0.0028902 k( 22) = ( 0.2019231 0.0000000 0.2019231), wk = 0.0028902 k( 23) = ( 0.2115385 0.0000000 0.2115385), wk = 0.0028902 k( 24) = ( 0.2211539 0.0000000 0.2211539), wk = 0.0028902 k( 25) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0028902 k( 26) = ( 0.2403846 0.0000000 0.2403846), wk = 0.0028902 k( 27) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028902 k( 28) = ( 0.2596154 -0.0000000 0.2596154), wk = 0.0028902 k( 29) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0028902 k( 30) = ( 0.2788462 0.0000000 0.2788462), wk = 0.0028902 k( 31) = ( 0.2884615 -0.0000000 0.2884615), wk = 0.0028902 k( 32) = ( 0.2980769 0.0000000 0.2980769), wk = 0.0028902 k( 33) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0028902 k( 34) = ( 0.3173077 -0.0000000 0.3173077), wk = 0.0028902 k( 35) = ( 0.3269231 -0.0000000 0.3269231), wk = 0.0028902 k( 36) = ( 0.3365385 0.0000000 0.3365385), wk = 0.0028902 k( 37) = ( 0.3461538 -0.0000000 0.3461538), wk = 0.0028902 k( 38) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0028902 k( 39) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0028902 k( 40) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0028902 k( 41) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0028902 k( 42) = ( 0.3942308 0.0000000 0.3942308), wk = 0.0028902 k( 43) = ( 0.4038462 0.0000000 0.4038462), wk = 0.0028902 k( 44) = ( 0.4134615 0.0000000 0.4134615), wk = 0.0028902 k( 45) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0028902 k( 46) = ( 0.4326923 0.0000000 0.4326923), wk = 0.0028902 k( 47) = ( 0.4423077 0.0000000 0.4423077), wk = 0.0028902 k( 48) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0028902 k( 49) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0028902 k( 50) = ( 0.4711538 0.0000000 0.4711538), wk = 0.0028902 k( 51) = ( 0.4807692 0.0000000 0.4807692), wk = 0.0028902 k( 52) = ( 0.4903846 0.0000000 0.4903846), wk = 0.0028902 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 55) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0028902 k( 56) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0028902 k( 57) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0028902 k( 58) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0028902 k( 59) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0028902 k( 60) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0028902 k( 61) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0028902 k( 62) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0028902 k( 63) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0028902 k( 64) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0028902 k( 65) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0028902 k( 66) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0028902 k( 67) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0028902 k( 68) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0028902 k( 69) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0028902 k( 70) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0028902 k( 71) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0028902 k( 72) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0028902 k( 73) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0028902 k( 74) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0028902 k( 75) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0028902 k( 76) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0028902 k( 77) = ( 0.5000000 0.2211539 0.7211538), wk = 0.0028902 k( 78) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028902 k( 79) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028902 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 81) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 82) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028902 k( 83) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028902 k( 84) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028902 k( 85) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028902 k( 86) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028902 k( 87) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028902 k( 88) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028902 k( 89) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028902 k( 90) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028902 k( 91) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028902 k( 92) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028902 k( 93) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028902 k( 94) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028902 k( 95) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028902 k( 96) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028902 k( 97) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028902 k( 98) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028902 k( 99) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028902 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 101) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 102) = ( 0.3681818 0.3681818 0.7363636), wk = 0.0028902 k( 103) = ( 0.3613636 0.3613636 0.7227273), wk = 0.0028902 k( 104) = ( 0.3545454 0.3545454 0.7090909), wk = 0.0028902 k( 105) = ( 0.3477273 0.3477273 0.6954546), wk = 0.0028902 k( 106) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0028902 k( 107) = ( 0.3340909 0.3340909 0.6681818), wk = 0.0028902 k( 108) = ( 0.3272727 0.3272727 0.6545455), wk = 0.0028902 k( 109) = ( 0.3204546 0.3204546 0.6409091), wk = 0.0028902 k( 110) = ( 0.3136364 0.3136364 0.6272727), wk = 0.0028902 k( 111) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0028902 k( 112) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0028902 k( 113) = ( 0.2931818 0.2931818 0.5863636), wk = 0.0028902 k( 114) = ( 0.2863636 0.2863636 0.5727273), wk = 0.0028902 k( 115) = ( 0.2795454 0.2795454 0.5590909), wk = 0.0028902 k( 116) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0028902 k( 117) = ( 0.2659091 0.2659091 0.5318182), wk = 0.0028902 k( 118) = ( 0.2590909 0.2590909 0.5181818), wk = 0.0028902 k( 119) = ( 0.2522727 0.2522727 0.5045454), wk = 0.0028902 k( 120) = ( 0.2454545 0.2454545 0.4909091), wk = 0.0028902 k( 121) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0028902 k( 122) = ( 0.2318182 0.2318182 0.4636364), wk = 0.0028902 k( 123) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0028902 k( 124) = ( 0.2181818 0.2181818 0.4363636), wk = 0.0028902 k( 125) = ( 0.2113636 0.2113636 0.4227273), wk = 0.0028902 k( 126) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0028902 k( 127) = ( 0.1977273 0.1977273 0.3954546), wk = 0.0028902 k( 128) = ( 0.1909091 0.1909091 0.3818182), wk = 0.0028902 k( 129) = ( 0.1840909 0.1840909 0.3681818), wk = 0.0028902 k( 130) = ( 0.1772727 0.1772727 0.3545454), wk = 0.0028902 k( 131) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0028902 k( 132) = ( 0.1636364 0.1636364 0.3272727), wk = 0.0028902 k( 133) = ( 0.1568182 0.1568182 0.3136364), wk = 0.0028902 k( 134) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0028902 k( 135) = ( 0.1431818 0.1431818 0.2863636), wk = 0.0028902 k( 136) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0028902 k( 137) = ( 0.1295455 0.1295455 0.2590909), wk = 0.0028902 k( 138) = ( 0.1227273 0.1227273 0.2454545), wk = 0.0028902 k( 139) = ( 0.1159091 0.1159091 0.2318182), wk = 0.0028902 k( 140) = ( 0.1090909 0.1090909 0.2181818), wk = 0.0028902 k( 141) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0028902 k( 142) = ( 0.0954545 0.0954546 0.1909091), wk = 0.0028902 k( 143) = ( 0.0886364 0.0886364 0.1772727), wk = 0.0028902 k( 144) = ( 0.0818182 0.0818182 0.1636364), wk = 0.0028902 k( 145) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0028902 k( 146) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0028902 k( 147) = ( 0.0613636 0.0613636 0.1227273), wk = 0.0028902 k( 148) = ( 0.0545455 0.0545455 0.1090909), wk = 0.0028902 k( 149) = ( 0.0477273 0.0477273 0.0954545), wk = 0.0028902 k( 150) = ( 0.0409091 0.0409091 0.0818182), wk = 0.0028902 k( 151) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0028902 k( 152) = ( 0.0272727 0.0272727 0.0545455), wk = 0.0028902 k( 153) = ( 0.0204545 0.0204545 0.0409091), wk = 0.0028902 k( 154) = ( 0.0136364 0.0136364 0.0272727), wk = 0.0028902 k( 155) = ( 0.0068182 0.0068182 0.0136364), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0028902 k( 159) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0028902 k( 160) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0028902 k( 161) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028902 k( 163) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0028902 k( 164) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0028902 k( 165) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0028902 k( 166) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028902 k( 167) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028902 k( 168) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0028902 k( 169) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0028902 k( 170) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0028902 k( 171) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0028902 k( 172) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028902 k( 173) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0028902 k( 174) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0028902 k( 175) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028902 k( 176) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0028902 k( 177) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028902 k( 178) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0028902 k( 179) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0028902 k( 180) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0028902 k( 181) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0028902 k( 182) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028902 k( 183) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0028902 k( 184) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028902 k( 185) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0028902 k( 186) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0028902 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028902 k( 188) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0028902 k( 189) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0028902 k( 190) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0028902 k( 191) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0028902 k( 192) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028902 k( 193) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028902 k( 194) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0028902 k( 195) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0028902 k( 196) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0028902 k( 197) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028902 k( 198) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0028902 k( 199) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0028902 k( 200) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0028902 k( 201) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0028902 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 204) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028902 k( 205) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028902 k( 206) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0028902 k( 207) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028902 k( 208) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028902 k( 209) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028902 k( 210) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028902 k( 211) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028902 k( 212) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028902 k( 213) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028902 k( 214) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0028902 k( 215) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028902 k( 216) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028902 k( 217) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028902 k( 218) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028902 k( 219) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028902 k( 220) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028902 k( 221) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028902 k( 222) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0028902 k( 223) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028902 k( 224) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028902 k( 225) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028902 k( 226) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0028902 k( 227) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028902 k( 228) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028902 k( 229) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028902 k( 230) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028902 k( 231) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028902 k( 232) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028902 k( 233) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028902 k( 234) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028902 k( 235) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 236) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 237) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028902 k( 238) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028902 k( 239) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028902 k( 240) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028902 k( 241) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028902 k( 242) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028902 k( 243) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028902 k( 244) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028902 k( 245) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028902 k( 246) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028902 k( 247) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028902 k( 248) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028902 k( 249) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028902 k( 250) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028902 k( 251) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028902 k( 252) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028902 k( 253) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028902 k( 254) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028902 k( 255) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 256) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 257) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028902 k( 258) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028902 k( 259) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028902 k( 260) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028902 k( 261) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028902 k( 262) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028902 k( 263) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028902 k( 264) = ( 0.5000000 0.3040541 0.6959460), wk = 0.0028902 k( 265) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028902 k( 266) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028902 k( 267) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028902 k( 268) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028902 k( 269) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028902 k( 270) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028902 k( 271) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028902 k( 272) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028902 k( 273) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028902 k( 274) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028902 k( 275) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028902 k( 276) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028902 k( 277) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028902 k( 278) = ( 0.5000000 0.3986486 0.6013514), wk = 0.0028902 k( 279) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028902 k( 280) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028902 k( 281) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028902 k( 282) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028902 k( 283) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028902 k( 284) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028902 k( 285) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028902 k( 286) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028902 k( 287) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028902 k( 288) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028902 k( 289) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028902 k( 290) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028902 k( 291) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028902 k( 292) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028902 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 295) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0028902 k( 296) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028902 k( 297) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028902 k( 298) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028902 k( 299) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0028902 k( 300) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028902 k( 301) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028902 k( 302) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028902 k( 303) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0028902 k( 304) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028902 k( 305) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0028902 k( 306) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028902 k( 307) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0028902 k( 308) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028902 k( 309) = ( 0.4414062 0.4414063 0.6171875), wk = 0.0028902 k( 310) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028902 k( 311) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0028902 k( 312) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028902 k( 313) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028902 k( 314) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028902 k( 315) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0028902 k( 316) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028902 k( 317) = ( 0.4101562 0.4101563 0.6796875), wk = 0.0028902 k( 318) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028902 k( 319) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028902 k( 320) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028902 k( 321) = ( 0.3945312 0.3945313 0.7109375), wk = 0.0028902 k( 322) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028902 k( 323) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028902 k( 324) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028902 k( 325) = ( 0.3789062 0.3789063 0.7421875), wk = 0.0028902 k( 326) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 327) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 328) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028902 k( 329) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028902 k( 330) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028902 k( 331) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028902 k( 332) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028902 k( 333) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028902 k( 334) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028902 k( 335) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028902 k( 336) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028902 k( 337) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028902 k( 338) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028902 k( 339) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028902 k( 340) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028902 k( 341) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028902 k( 342) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028902 k( 343) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028902 k( 344) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028902 k( 345) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028902 k( 346) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 Dense grid: 19891 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 0.03 Mb ( 40, 48) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 415) G-vector shells 0.00 Mb ( 163) 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 0.04 Mb ( 48, 2, 26) The potential is recalculated from file : ./TlP.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 41.0 secs Computing kpt #: 2 total cpu time spent up to now is 41.3 secs Computing kpt #: 3 total cpu time spent up to now is 41.6 secs Computing kpt #: 4 total cpu time spent up to now is 42.0 secs Computing kpt #: 5 total cpu time spent up to now is 42.3 secs Computing kpt #: 6 total cpu time spent up to now is 42.6 secs Computing kpt #: 7 total cpu time spent up to now is 42.9 secs Computing kpt #: 8 total cpu time spent up to now is 43.2 secs Computing kpt #: 9 total cpu time spent up to now is 43.5 secs Computing kpt #: 10 total cpu time spent up to now is 43.8 secs Computing kpt #: 11 total cpu time spent up to now is 44.1 secs Computing kpt #: 12 total cpu time spent up to now is 44.5 secs Computing kpt #: 13 total cpu time spent up to now is 44.9 secs Computing kpt #: 14 total cpu time spent up to now is 45.3 secs Computing kpt #: 15 total cpu time spent up to now is 45.6 secs Computing kpt #: 16 total cpu time spent up to now is 46.0 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 46.8 secs Computing kpt #: 19 total cpu time spent up to now is 47.2 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 48.2 secs Computing kpt #: 22 total cpu time spent up to now is 48.6 secs Computing kpt #: 23 total cpu time spent up to now is 49.1 secs Computing kpt #: 24 total cpu time spent up to now is 49.5 secs Computing kpt #: 25 total cpu time spent up to now is 49.8 secs Computing kpt #: 26 total cpu time spent up to now is 50.4 secs Computing kpt #: 27 total cpu time spent up to now is 51.0 secs Computing kpt #: 28 total cpu time spent up to now is 51.5 secs Computing kpt #: 29 total cpu time spent up to now is 51.9 secs Computing kpt #: 30 total cpu time spent up to now is 52.3 secs Computing kpt #: 31 total cpu time spent up to now is 52.7 secs Computing kpt #: 32 total cpu time spent up to now is 53.1 secs Computing kpt #: 33 total cpu time spent up to now is 53.5 secs Computing kpt #: 34 total cpu time spent up to now is 54.1 secs Computing kpt #: 35 total cpu time spent up to now is 54.6 secs Computing kpt #: 36 total cpu time spent up to now is 55.1 secs Computing kpt #: 37 total cpu time spent up to now is 55.5 secs Computing kpt #: 38 total cpu time spent up to now is 55.9 secs Computing kpt #: 39 total cpu time spent up to now is 56.3 secs Computing kpt #: 40 total cpu time spent up to now is 56.7 secs Computing kpt #: 41 total cpu time spent up to now is 57.2 secs Computing kpt #: 42 total cpu time spent up to now is 57.6 secs Computing kpt #: 43 total cpu time spent up to now is 58.0 secs Computing kpt #: 44 total cpu time spent up to now is 58.4 secs Computing kpt #: 45 total cpu time spent up to now is 58.9 secs Computing kpt #: 46 total cpu time spent up to now is 59.4 secs Computing kpt #: 47 total cpu time spent up to now is 59.9 secs Computing kpt #: 48 total cpu time spent up to now is 60.3 secs Computing kpt #: 49 total cpu time spent up to now is 60.7 secs Computing kpt #: 50 total cpu time spent up to now is 61.1 secs Computing kpt #: 51 total cpu time spent up to now is 61.5 secs Computing kpt #: 52 total cpu time spent up to now is 61.8 secs Computing kpt #: 53 total cpu time spent up to now is 62.2 secs Computing kpt #: 54 total cpu time spent up to now is 62.5 secs Computing kpt #: 55 total cpu time spent up to now is 63.0 secs Computing kpt #: 56 total cpu time spent up to now is 63.6 secs Computing kpt #: 57 total cpu time spent up to now is 64.0 secs Computing kpt #: 58 total cpu time spent up to now is 64.5 secs Computing kpt #: 59 total cpu time spent up to now is 64.9 secs Computing kpt #: 60 total cpu time spent up to now is 65.3 secs Computing kpt #: 61 total cpu time spent up to now is 65.7 secs Computing kpt #: 62 total cpu time spent up to now is 66.1 secs Computing kpt #: 63 total cpu time spent up to now is 66.7 secs Computing kpt #: 64 total cpu time spent up to now is 67.1 secs Computing kpt #: 65 total cpu time spent up to now is 67.6 secs Computing kpt #: 66 total cpu time spent up to now is 68.0 secs Computing kpt #: 67 total cpu time spent up to now is 68.4 secs Computing kpt #: 68 total cpu time spent up to now is 68.7 secs Computing kpt #: 69 total cpu time spent up to now is 69.1 secs Computing kpt #: 70 total cpu time spent up to now is 69.4 secs Computing kpt #: 71 total cpu time spent up to now is 69.9 secs Computing kpt #: 72 total cpu time spent up to now is 70.3 secs Computing kpt #: 73 total cpu time spent up to now is 70.7 secs Computing kpt #: 74 total cpu time spent up to now is 71.0 secs Computing kpt #: 75 total cpu time spent up to now is 71.5 secs Computing kpt #: 76 total cpu time spent up to now is 72.1 secs Computing kpt #: 77 total cpu time spent up to now is 72.5 secs Computing kpt #: 78 total cpu time spent up to now is 73.0 secs Computing kpt #: 79 total cpu time spent up to now is 73.4 secs Computing kpt #: 80 total cpu time spent up to now is 73.7 secs Computing kpt #: 81 total cpu time spent up to now is 74.1 secs Computing kpt #: 82 total cpu time spent up to now is 74.5 secs Computing kpt #: 83 total cpu time spent up to now is 74.9 secs Computing kpt #: 84 total cpu time spent up to now is 75.2 secs Computing kpt #: 85 total cpu time spent up to now is 75.6 secs Computing kpt #: 86 total cpu time spent up to now is 75.9 secs Computing kpt #: 87 total cpu time spent up to now is 76.3 secs Computing kpt #: 88 total cpu time spent up to now is 76.7 secs Computing kpt #: 89 total cpu time spent up to now is 77.1 secs Computing kpt #: 90 total cpu time spent up to now is 77.5 secs Computing kpt #: 91 total cpu time spent up to now is 77.9 secs Computing kpt #: 92 total cpu time spent up to now is 78.4 secs Computing kpt #: 93 total cpu time spent up to now is 78.8 secs Computing kpt #: 94 total cpu time spent up to now is 79.2 secs Computing kpt #: 95 total cpu time spent up to now is 80.6 secs Computing kpt #: 96 total cpu time spent up to now is 82.3 secs Computing kpt #: 97 total cpu time spent up to now is 82.9 secs Computing kpt #: 98 total cpu time spent up to now is 83.7 secs Computing kpt #: 99 total cpu time spent up to now is 84.2 secs Computing kpt #: 100 total cpu time spent up to now is 84.6 secs Computing kpt #: 101 total cpu time spent up to now is 85.3 secs Computing kpt #: 102 total cpu time spent up to now is 85.8 secs Computing kpt #: 103 total cpu time spent up to now is 86.3 secs Computing kpt #: 104 total cpu time spent up to now is 86.8 secs Computing kpt #: 105 total cpu time spent up to now is 87.2 secs Computing kpt #: 106 total cpu time spent up to now is 87.8 secs Computing kpt #: 107 total cpu time spent up to now is 88.2 secs Computing kpt #: 108 total cpu time spent up to now is 88.8 secs Computing kpt #: 109 total cpu time spent up to now is 89.3 secs Computing kpt #: 110 total cpu time spent up to now is 90.0 secs Computing kpt #: 111 total cpu time spent up to now is 90.8 secs Computing kpt #: 112 total cpu time spent up to now is 91.6 secs Computing kpt #: 113 total cpu time spent up to now is 92.0 secs Computing kpt #: 114 total cpu time spent up to now is 92.4 secs Computing kpt #: 115 total cpu time spent up to now is 93.0 secs Computing kpt #: 116 total cpu time spent up to now is 93.3 secs Computing kpt #: 117 total cpu time spent up to now is 93.7 secs Computing kpt #: 118 total cpu time spent up to now is 95.1 secs Computing kpt #: 119 total cpu time spent up to now is 95.4 secs Computing kpt #: 120 total cpu time spent up to now is 95.7 secs Computing kpt #: 121 total cpu time spent up to now is 96.5 secs Computing kpt #: 122 total cpu time spent up to now is 96.8 secs Computing kpt #: 123 total cpu time spent up to now is 97.3 secs Computing kpt #: 124 total cpu time spent up to now is 97.6 secs Computing kpt #: 125 total cpu time spent up to now is 97.9 secs Computing kpt #: 126 total cpu time spent up to now is 98.2 secs Computing kpt #: 127 total cpu time spent up to now is 98.7 secs Computing kpt #: 128 total cpu time spent up to now is 99.0 secs Computing kpt #: 129 total cpu time spent up to now is 99.3 secs Computing kpt #: 130 total cpu time spent up to now is 99.6 secs Computing kpt #: 131 total cpu time spent up to now is 99.9 secs Computing kpt #: 132 total cpu time spent up to now is 100.3 secs Computing kpt #: 133 total cpu time spent up to now is 100.9 secs Computing kpt #: 134 total cpu time spent up to now is 101.6 secs Computing kpt #: 135 total cpu time spent up to now is 102.2 secs Computing kpt #: 136 total cpu time spent up to now is 102.7 secs Computing kpt #: 137 total cpu time spent up to now is 103.2 secs Computing kpt #: 138 total cpu time spent up to now is 103.7 secs Computing kpt #: 139 total cpu time spent up to now is 106.1 secs Computing kpt #: 140 total cpu time spent up to now is 106.5 secs Computing kpt #: 141 total cpu time spent up to now is 106.9 secs Computing kpt #: 142 total cpu time spent up to now is 107.4 secs Computing kpt #: 143 total cpu time spent up to now is 107.8 secs Computing kpt #: 144 total cpu time spent up to now is 108.3 secs Computing kpt #: 145 total cpu time spent up to now is 108.7 secs Computing kpt #: 146 total cpu time spent up to now is 109.1 secs Computing kpt #: 147 total cpu time spent up to now is 109.6 secs Computing kpt #: 148 total cpu time spent up to now is 110.1 secs Computing kpt #: 149 total cpu time spent up to now is 110.4 secs Computing kpt #: 150 total cpu time spent up to now is 110.7 secs Computing kpt #: 151 total cpu time spent up to now is 111.0 secs Computing kpt #: 152 total cpu time spent up to now is 111.3 secs Computing kpt #: 153 total cpu time spent up to now is 111.6 secs Computing kpt #: 154 total cpu time spent up to now is 111.9 secs Computing kpt #: 155 total cpu time spent up to now is 112.2 secs Computing kpt #: 156 total cpu time spent up to now is 112.5 secs Computing kpt #: 157 total cpu time spent up to now is 112.8 secs Computing kpt #: 158 total cpu time spent up to now is 113.2 secs Computing kpt #: 159 total cpu time spent up to now is 113.6 secs Computing kpt #: 160 total cpu time spent up to now is 114.1 secs Computing kpt #: 161 total cpu time spent up to now is 114.5 secs Computing kpt #: 162 total cpu time spent up to now is 114.8 secs Computing kpt #: 163 total cpu time spent up to now is 115.1 secs Computing kpt #: 164 total cpu time spent up to now is 115.5 secs Computing kpt #: 165 total cpu time spent up to now is 116.0 secs Computing kpt #: 166 total cpu time spent up to now is 116.4 secs Computing kpt #: 167 total cpu time spent up to now is 116.9 secs Computing kpt #: 168 total cpu time spent up to now is 117.2 secs Computing kpt #: 169 total cpu time spent up to now is 117.5 secs Computing kpt #: 170 total cpu time spent up to now is 117.8 secs Computing kpt #: 171 total cpu time spent up to now is 118.1 secs Computing kpt #: 172 total cpu time spent up to now is 118.4 secs Computing kpt #: 173 total cpu time spent up to now is 118.7 secs Computing kpt #: 174 total cpu time spent up to now is 119.0 secs Computing kpt #: 175 total cpu time spent up to now is 119.4 secs Computing kpt #: 176 total cpu time spent up to now is 119.9 secs Computing kpt #: 177 total cpu time spent up to now is 120.4 secs Computing kpt #: 178 total cpu time spent up to now is 120.7 secs Computing kpt #: 179 total cpu time spent up to now is 121.1 secs Computing kpt #: 180 total cpu time spent up to now is 121.4 secs Computing kpt #: 181 total cpu time spent up to now is 121.8 secs Computing kpt #: 182 total cpu time spent up to now is 122.1 secs Computing kpt #: 183 total cpu time spent up to now is 122.5 secs Computing kpt #: 184 total cpu time spent up to now is 123.0 secs Computing kpt #: 185 total cpu time spent up to now is 123.4 secs Computing kpt #: 186 total cpu time spent up to now is 123.7 secs Computing kpt #: 187 total cpu time spent up to now is 124.1 secs Computing kpt #: 188 total cpu time spent up to now is 124.9 secs Computing kpt #: 189 total cpu time spent up to now is 125.4 secs Computing kpt #: 190 total cpu time spent up to now is 126.1 secs Computing kpt #: 191 total cpu time spent up to now is 126.4 secs Computing kpt #: 192 total cpu time spent up to now is 126.8 secs Computing kpt #: 193 total cpu time spent up to now is 127.1 secs Computing kpt #: 194 total cpu time spent up to now is 127.4 secs Computing kpt #: 195 total cpu time spent up to now is 127.7 secs Computing kpt #: 196 total cpu time spent up to now is 128.1 secs Computing kpt #: 197 total cpu time spent up to now is 128.4 secs Computing kpt #: 198 total cpu time spent up to now is 128.8 secs Computing kpt #: 199 total cpu time spent up to now is 129.5 secs Computing kpt #: 200 total cpu time spent up to now is 130.0 secs Computing kpt #: 201 total cpu time spent up to now is 130.4 secs Computing kpt #: 202 total cpu time spent up to now is 130.7 secs Computing kpt #: 203 total cpu time spent up to now is 131.2 secs Computing kpt #: 204 total cpu time spent up to now is 131.6 secs Computing kpt #: 205 total cpu time spent up to now is 132.0 secs Computing kpt #: 206 total cpu time spent up to now is 132.4 secs Computing kpt #: 207 total cpu time spent up to now is 132.9 secs Computing kpt #: 208 total cpu time spent up to now is 133.3 secs Computing kpt #: 209 total cpu time spent up to now is 133.7 secs Computing kpt #: 210 total cpu time spent up to now is 134.0 secs Computing kpt #: 211 total cpu time spent up to now is 134.4 secs Computing kpt #: 212 total cpu time spent up to now is 134.7 secs Computing kpt #: 213 total cpu time spent up to now is 135.0 secs Computing kpt #: 214 total cpu time spent up to now is 135.4 secs Computing kpt #: 215 total cpu time spent up to now is 135.7 secs Computing kpt #: 216 total cpu time spent up to now is 136.0 secs Computing kpt #: 217 total cpu time spent up to now is 136.4 secs Computing kpt #: 218 total cpu time spent up to now is 136.8 secs Computing kpt #: 219 total cpu time spent up to now is 137.1 secs Computing kpt #: 220 total cpu time spent up to now is 137.8 secs Computing kpt #: 221 total cpu time spent up to now is 138.3 secs Computing kpt #: 222 total cpu time spent up to now is 138.8 secs Computing kpt #: 223 total cpu time spent up to now is 139.5 secs Computing kpt #: 224 total cpu time spent up to now is 139.9 secs Computing kpt #: 225 total cpu time spent up to now is 140.3 secs Computing kpt #: 226 total cpu time spent up to now is 140.7 secs Computing kpt #: 227 total cpu time spent up to now is 141.1 secs Computing kpt #: 228 total cpu time spent up to now is 141.4 secs Computing kpt #: 229 total cpu time spent up to now is 141.8 secs Computing kpt #: 230 total cpu time spent up to now is 142.5 secs Computing kpt #: 231 total cpu time spent up to now is 143.4 secs Computing kpt #: 232 total cpu time spent up to now is 143.9 secs Computing kpt #: 233 total cpu time spent up to now is 144.8 secs Computing kpt #: 234 total cpu time spent up to now is 145.5 secs Computing kpt #: 235 total cpu time spent up to now is 145.9 secs Computing kpt #: 236 total cpu time spent up to now is 146.3 secs Computing kpt #: 237 total cpu time spent up to now is 146.8 secs Computing kpt #: 238 total cpu time spent up to now is 147.2 secs Computing kpt #: 239 total cpu time spent up to now is 147.6 secs Computing kpt #: 240 total cpu time spent up to now is 148.0 secs Computing kpt #: 241 total cpu time spent up to now is 148.8 secs Computing kpt #: 242 total cpu time spent up to now is 149.8 secs Computing kpt #: 243 total cpu time spent up to now is 150.2 secs Computing kpt #: 244 total cpu time spent up to now is 150.6 secs Computing kpt #: 245 total cpu time spent up to now is 151.0 secs Computing kpt #: 246 total cpu time spent up to now is 151.3 secs Computing kpt #: 247 total cpu time spent up to now is 151.7 secs Computing kpt #: 248 total cpu time spent up to now is 152.1 secs Computing kpt #: 249 total cpu time spent up to now is 152.5 secs Computing kpt #: 250 total cpu time spent up to now is 152.8 secs Computing kpt #: 251 total cpu time spent up to now is 153.2 secs Computing kpt #: 252 total cpu time spent up to now is 153.5 secs Computing kpt #: 253 total cpu time spent up to now is 153.9 secs Computing kpt #: 254 total cpu time spent up to now is 154.4 secs Computing kpt #: 255 total cpu time spent up to now is 155.1 secs Computing kpt #: 256 total cpu time spent up to now is 155.6 secs Computing kpt #: 257 total cpu time spent up to now is 156.1 secs Computing kpt #: 258 total cpu time spent up to now is 156.6 secs Computing kpt #: 259 total cpu time spent up to now is 157.0 secs Computing kpt #: 260 total cpu time spent up to now is 157.5 secs Computing kpt #: 261 total cpu time spent up to now is 157.9 secs Computing kpt #: 262 total cpu time spent up to now is 158.3 secs Computing kpt #: 263 total cpu time spent up to now is 158.8 secs Computing kpt #: 264 total cpu time spent up to now is 159.6 secs Computing kpt #: 265 total cpu time spent up to now is 160.1 secs Computing kpt #: 266 total cpu time spent up to now is 160.5 secs Computing kpt #: 267 total cpu time spent up to now is 161.0 secs Computing kpt #: 268 total cpu time spent up to now is 161.4 secs Computing kpt #: 269 total cpu time spent up to now is 161.8 secs Computing kpt #: 270 total cpu time spent up to now is 162.3 secs Computing kpt #: 271 total cpu time spent up to now is 162.7 secs Computing kpt #: 272 total cpu time spent up to now is 163.2 secs Computing kpt #: 273 total cpu time spent up to now is 163.7 secs Computing kpt #: 274 total cpu time spent up to now is 164.1 secs Computing kpt #: 275 total cpu time spent up to now is 164.5 secs Computing kpt #: 276 total cpu time spent up to now is 165.1 secs Computing kpt #: 277 total cpu time spent up to now is 165.5 secs Computing kpt #: 278 total cpu time spent up to now is 165.9 secs Computing kpt #: 279 total cpu time spent up to now is 166.2 secs Computing kpt #: 280 total cpu time spent up to now is 166.7 secs Computing kpt #: 281 total cpu time spent up to now is 167.1 secs Computing kpt #: 282 total cpu time spent up to now is 167.7 secs Computing kpt #: 283 total cpu time spent up to now is 168.0 secs Computing kpt #: 284 total cpu time spent up to now is 168.4 secs Computing kpt #: 285 total cpu time spent up to now is 168.7 secs Computing kpt #: 286 total cpu time spent up to now is 169.1 secs Computing kpt #: 287 total cpu time spent up to now is 169.4 secs Computing kpt #: 288 total cpu time spent up to now is 169.8 secs Computing kpt #: 289 total cpu time spent up to now is 170.1 secs Computing kpt #: 290 total cpu time spent up to now is 170.4 secs Computing kpt #: 291 total cpu time spent up to now is 170.8 secs Computing kpt #: 292 total cpu time spent up to now is 171.1 secs Computing kpt #: 293 total cpu time spent up to now is 171.5 secs Computing kpt #: 294 total cpu time spent up to now is 172.0 secs Computing kpt #: 295 total cpu time spent up to now is 172.5 secs Computing kpt #: 296 total cpu time spent up to now is 172.9 secs Computing kpt #: 297 total cpu time spent up to now is 173.4 secs Computing kpt #: 298 total cpu time spent up to now is 173.7 secs Computing kpt #: 299 total cpu time spent up to now is 174.2 secs Computing kpt #: 300 total cpu time spent up to now is 174.5 secs Computing kpt #: 301 total cpu time spent up to now is 174.9 secs Computing kpt #: 302 total cpu time spent up to now is 175.3 secs Computing kpt #: 303 total cpu time spent up to now is 175.7 secs Computing kpt #: 304 total cpu time spent up to now is 176.1 secs Computing kpt #: 305 total cpu time spent up to now is 176.8 secs Computing kpt #: 306 total cpu time spent up to now is 177.3 secs Computing kpt #: 307 total cpu time spent up to now is 177.6 secs Computing kpt #: 308 total cpu time spent up to now is 178.0 secs Computing kpt #: 309 total cpu time spent up to now is 178.4 secs Computing kpt #: 310 total cpu time spent up to now is 178.8 secs Computing kpt #: 311 total cpu time spent up to now is 179.1 secs Computing kpt #: 312 total cpu time spent up to now is 179.4 secs Computing kpt #: 313 total cpu time spent up to now is 179.8 secs Computing kpt #: 314 total cpu time spent up to now is 180.1 secs Computing kpt #: 315 total cpu time spent up to now is 180.5 secs Computing kpt #: 316 total cpu time spent up to now is 181.2 secs Computing kpt #: 317 total cpu time spent up to now is 181.7 secs Computing kpt #: 318 total cpu time spent up to now is 182.5 secs Computing kpt #: 319 total cpu time spent up to now is 182.9 secs Computing kpt #: 320 total cpu time spent up to now is 183.3 secs Computing kpt #: 321 total cpu time spent up to now is 183.8 secs Computing kpt #: 322 total cpu time spent up to now is 184.3 secs Computing kpt #: 323 total cpu time spent up to now is 184.8 secs Computing kpt #: 324 total cpu time spent up to now is 185.2 secs Computing kpt #: 325 total cpu time spent up to now is 185.7 secs Computing kpt #: 326 total cpu time spent up to now is 186.1 secs Computing kpt #: 327 total cpu time spent up to now is 186.5 secs Computing kpt #: 328 total cpu time spent up to now is 187.0 secs Computing kpt #: 329 total cpu time spent up to now is 187.4 secs Computing kpt #: 330 total cpu time spent up to now is 187.8 secs Computing kpt #: 331 total cpu time spent up to now is 188.3 secs Computing kpt #: 332 total cpu time spent up to now is 188.8 secs Computing kpt #: 333 total cpu time spent up to now is 189.2 secs Computing kpt #: 334 total cpu time spent up to now is 189.8 secs Computing kpt #: 335 total cpu time spent up to now is 190.3 secs Computing kpt #: 336 total cpu time spent up to now is 190.8 secs Computing kpt #: 337 total cpu time spent up to now is 191.3 secs Computing kpt #: 338 total cpu time spent up to now is 191.9 secs Computing kpt #: 339 total cpu time spent up to now is 192.7 secs Computing kpt #: 340 total cpu time spent up to now is 193.2 secs Computing kpt #: 341 total cpu time spent up to now is 193.7 secs Computing kpt #: 342 total cpu time spent up to now is 194.2 secs Computing kpt #: 343 total cpu time spent up to now is 194.8 secs Computing kpt #: 344 total cpu time spent up to now is 195.4 secs Computing kpt #: 345 total cpu time spent up to now is 195.8 secs Computing kpt #: 346 total cpu time spent up to now is 196.1 secs ethr = 5.56E-11, avg # of iterations = 20.9 total cpu time spent up to now is 196.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1989 PWs) bands (ev): -5.9007 -5.9007 -5.9007 -5.9007 -4.9373 -4.9373 -3.8952 -3.8952 -3.7171 -3.7171 -3.7171 -3.7171 5.2651 5.2651 6.3906 6.3906 6.5978 6.5978 6.5978 6.5978 9.5017 9.5017 10.9356 10.9356 10.9356 10.9356 k = 0.0096-0.0056 0.0079 ( 1985 PWs) bands (ev): -5.9013 -5.9013 -5.9004 -5.9004 -4.9363 -4.9363 -3.8949 -3.8949 -3.7177 -3.7177 -3.7162 -3.7162 5.2523 5.2523 6.3915 6.3915 6.5948 6.5948 6.6052 6.6052 9.5040 9.5040 10.9321 10.9321 10.9396 10.9396 k = 0.0192-0.0111 0.0157 ( 1969 PWs) bands (ev): -5.9021 -5.9021 -5.9000 -5.9000 -4.9332 -4.9332 -3.8939 -3.8939 -3.7182 -3.7182 -3.7151 -3.7151 5.2153 5.2153 6.3911 6.3911 6.5866 6.5866 6.6285 6.6285 9.5106 9.5106 10.9221 10.9221 10.9515 10.9515 k = 0.0288-0.0167 0.0236 ( 1961 PWs) bands (ev): -5.9033 -5.9033 -5.8997 -5.8997 -4.9280 -4.9280 -3.8922 -3.8922 -3.7186 -3.7186 -3.7137 -3.7137 5.1577 5.1577 6.3836 6.3836 6.5729 6.5729 6.6707 6.6707 9.5210 9.5210 10.9065 10.9065 10.9710 10.9710 k = 0.0385-0.0222 0.0314 ( 1961 PWs) bands (ev): -5.9050 -5.9050 -5.8993 -5.8993 -4.9209 -4.9209 -3.8899 -3.8899 -3.7189 -3.7189 -3.7120 -3.7120 5.0837 5.0837 6.3659 6.3659 6.5538 6.5538 6.7307 6.7307 9.5343 9.5343 10.8870 10.8870 10.9982 10.9982 k = 0.0481-0.0278 0.0393 ( 1961 PWs) bands (ev): -5.9070 -5.9070 -5.8987 -5.8987 -4.9118 -4.9118 -3.8870 -3.8870 -3.7191 -3.7191 -3.7100 -3.7100 4.9973 4.9973 6.3385 6.3385 6.5293 6.5293 6.8049 6.8049 9.5491 9.5491 10.8657 10.8657 11.0326 11.0326 k = 0.0577-0.0333 0.0471 ( 1953 PWs) bands (ev): -5.9095 -5.9095 -5.8981 -5.8981 -4.9009 -4.9009 -3.8833 -3.8833 -3.7192 -3.7192 -3.7075 -3.7075 4.9015 4.9015 6.3027 6.3027 6.4997 6.4997 6.8890 6.8890 9.5639 9.5639 10.8451 10.8451 11.0741 11.0741 k = 0.0673-0.0389 0.0550 ( 1961 PWs) bands (ev): -5.9123 -5.9123 -5.8974 -5.8974 -4.8881 -4.8881 -3.8790 -3.8790 -3.7193 -3.7193 -3.7046 -3.7046 4.7988 4.7989 6.2601 6.2601 6.4653 6.4653 6.9800 6.9800 9.5769 9.5769 10.8278 10.8278 11.1222 11.1222 k = 0.0769-0.0444 0.0628 ( 1969 PWs) bands (ev): -5.9155 -5.9155 -5.8966 -5.8966 -4.8737 -4.8736 -3.8740 -3.8740 -3.7194 -3.7194 -3.7011 -3.7011 4.6909 4.6909 6.2118 6.2119 6.4263 6.4263 7.0753 7.0753 9.5861 9.5861 10.8166 10.8166 11.1766 11.1766 k = 0.0865-0.0500 0.0707 ( 1969 PWs) bands (ev): -5.9189 -5.9189 -5.8957 -5.8957 -4.8576 -4.8576 -3.8683 -3.8683 -3.7194 -3.7194 -3.6971 -3.6971 4.5790 4.5790 6.1588 6.1588 6.3831 6.3831 7.1732 7.1732 9.5899 9.5899 10.8140 10.8140 11.2369 11.2369 k = 0.0962-0.0555 0.0785 ( 1973 PWs) bands (ev): -5.9227 -5.9227 -5.8947 -5.8947 -4.8401 -4.8401 -3.8620 -3.8620 -3.7194 -3.7194 -3.6924 -3.6924 4.4640 4.4640 6.1018 6.1018 6.3361 6.3361 7.2723 7.2723 9.5867 9.5867 10.8218 10.8218 11.3028 11.3028 k = 0.1058-0.0611 0.0864 ( 1973 PWs) bands (ev): -5.9266 -5.9266 -5.8936 -5.8936 -4.8213 -4.8213 -3.8549 -3.8549 -3.7194 -3.7194 -3.6870 -3.6870 4.3466 4.3466 6.0416 6.0416 6.2858 6.2858 7.3718 7.3718 9.5758 9.5758 10.8413 10.8413 11.3739 11.3739 k = 0.1154-0.0666 0.0942 ( 1973 PWs) bands (ev): -5.9307 -5.9307 -5.8924 -5.8924 -4.8012 -4.8012 -3.8472 -3.8472 -3.7193 -3.7193 -3.6807 -3.6807 4.2273 4.2273 5.9786 5.9786 6.2325 6.2325 7.4705 7.4705 9.5571 9.5571 10.8729 10.8729 11.4498 11.4498 k = 0.1250-0.0722 0.1021 ( 1965 PWs) bands (ev): -5.9350 -5.9350 -5.8911 -5.8911 -4.7802 -4.7801 -3.8389 -3.8389 -3.7192 -3.7192 -3.6733 -3.6733 4.1063 4.1064 5.9135 5.9135 6.1766 6.1766 7.5678 7.5678 9.5312 9.5312 10.9163 10.9163 11.5302 11.5302 k = 0.1346-0.0777 0.1099 ( 1981 PWs) bands (ev): -5.9395 -5.9395 -5.8898 -5.8898 -4.7582 -4.7582 -3.8302 -3.8302 -3.7191 -3.7191 -3.6648 -3.6648 3.9842 3.9842 5.8466 5.8466 6.1185 6.1185 7.6630 7.6630 9.4993 9.4993 10.9706 10.9706 11.6145 11.6145 k = 0.1442-0.0833 0.1178 ( 1981 PWs) bands (ev): -5.9440 -5.9440 -5.8884 -5.8884 -4.7356 -4.7356 -3.8210 -3.8210 -3.7190 -3.7190 -3.6548 -3.6548 3.8610 3.8610 5.7785 5.7785 6.0587 6.0587 7.7553 7.7553 9.4628 9.4628 11.0346 11.0346 11.7028 11.7028 k = 0.1538-0.0888 0.1256 ( 1981 PWs) bands (ev): -5.9485 -5.9485 -5.8869 -5.8869 -4.7124 -4.7124 -3.8116 -3.8116 -3.7188 -3.7188 -3.6430 -3.6430 3.7370 3.7370 5.7094 5.7094 5.9973 5.9973 7.8440 7.8440 9.4231 9.4231 11.1072 11.1072 11.7945 11.7945 k = 0.1635-0.0944 0.1335 ( 1985 PWs) bands (ev): -5.9531 -5.9531 -5.8854 -5.8854 -4.6889 -4.6889 -3.8021 -3.8021 -3.7186 -3.7186 -3.6294 -3.6294 3.6123 3.6123 5.6398 5.6398 5.9349 5.9349 7.9284 7.9284 9.3816 9.3816 11.1872 11.1872 11.8894 11.8894 k = 0.1731-0.0999 0.1413 ( 1985 PWs) bands (ev): -5.9577 -5.9577 -5.8838 -5.8838 -4.6652 -4.6652 -3.7926 -3.7926 -3.7183 -3.7183 -3.6134 -3.6134 3.4871 3.4871 5.5699 5.5699 5.8716 5.8716 8.0077 8.0077 9.3396 9.3396 11.2734 11.2734 11.9874 11.9874 k = 0.1827-0.1055 0.1492 ( 1984 PWs) bands (ev): -5.9623 -5.9623 -5.8822 -5.8822 -4.6416 -4.6416 -3.7833 -3.7833 -3.7180 -3.7180 -3.5949 -3.5949 3.3615 3.3615 5.5000 5.5000 5.8078 5.8078 8.0811 8.0811 9.2984 9.2984 11.3649 11.3649 12.0881 12.0881 k = 0.1923-0.1110 0.1570 ( 1980 PWs) bands (ev): -5.9669 -5.9669 -5.8805 -5.8805 -4.6182 -4.6182 -3.7744 -3.7744 -3.7176 -3.7176 -3.5736 -3.5736 3.2355 3.2355 5.4303 5.4303 5.7438 5.7438 8.1478 8.1478 9.2590 9.2590 11.4610 11.4610 12.1913 12.1913 k = 0.2019-0.1166 0.1649 ( 1980 PWs) bands (ev): -5.9715 -5.9715 -5.8788 -5.8788 -4.5951 -4.5951 -3.7660 -3.7660 -3.7170 -3.7170 -3.5493 -3.5493 3.1093 3.1093 5.3611 5.3611 5.6797 5.6797 8.2070 8.2070 9.2222 9.2222 11.5609 11.5609 12.2970 12.2970 k = 0.2115-0.1221 0.1727 ( 1980 PWs) bands (ev): -5.9760 -5.9760 -5.8771 -5.8771 -4.5727 -4.5727 -3.7581 -3.7581 -3.7163 -3.7163 -3.5219 -3.5219 2.9830 2.9830 5.2926 5.2926 5.6159 5.6159 8.2580 8.2580 9.1889 9.1889 11.6642 11.6642 12.4048 12.4048 k = 0.2212-0.1277 0.1806 ( 1980 PWs) bands (ev): -5.9804 -5.9804 -5.8753 -5.8753 -4.5509 -4.5509 -3.7509 -3.7509 -3.7154 -3.7154 -3.4913 -3.4913 2.8567 2.8567 5.2250 5.2250 5.5524 5.5524 8.3000 8.3000 9.1597 9.1597 11.7702 11.7702 12.5147 12.5147 k = 0.2308-0.1332 0.1884 ( 1988 PWs) bands (ev): -5.9848 -5.9848 -5.8735 -5.8735 -4.5299 -4.5299 -3.7444 -3.7444 -3.7142 -3.7142 -3.4574 -3.4574 2.7304 2.7304 5.1583 5.1583 5.4896 5.4896 8.3329 8.3329 9.1347 9.1347 11.8787 11.8787 12.6265 12.6265 k = 0.2404-0.1388 0.1963 ( 1988 PWs) bands (ev): -5.9890 -5.9890 -5.8718 -5.8718 -4.5098 -4.5098 -3.7387 -3.7387 -3.7126 -3.7126 -3.4203 -3.4203 2.6043 2.6043 5.0929 5.0929 5.4276 5.4276 8.3566 8.3566 9.1140 9.1140 11.9892 11.9892 12.7402 12.7402 k = 0.2500-0.1443 0.2041 ( 1996 PWs) bands (ev): -5.9932 -5.9932 -5.8700 -5.8700 -4.4908 -4.4908 -3.7339 -3.7339 -3.7103 -3.7103 -3.3799 -3.3799 2.4784 2.4784 5.0288 5.0288 5.3666 5.3666 8.3716 8.3716 9.0969 9.0969 12.1013 12.1013 12.8554 12.8554 k = 0.2596-0.1499 0.2120 ( 1980 PWs) bands (ev): -5.9972 -5.9972 -5.8682 -5.8682 -4.4727 -4.4727 -3.7302 -3.7302 -3.7074 -3.7074 -3.3364 -3.3364 2.3529 2.3529 4.9662 4.9662 5.3068 5.3068 8.3789 8.3789 9.0826 9.0826 12.2150 12.2150 12.9723 12.9723 k = 0.2692-0.1554 0.2198 ( 1980 PWs) bands (ev): -6.0011 -6.0011 -5.8665 -5.8665 -4.4558 -4.4558 -3.7274 -3.7274 -3.7037 -3.7037 -3.2898 -3.2898 2.2278 2.2278 4.9051 4.9051 5.2482 5.2482 8.3796 8.3796 9.0701 9.0701 12.3298 12.3298 13.0905 13.0905 k = 0.2788-0.1610 0.2277 ( 1980 PWs) bands (ev): -6.0050 -6.0050 -5.8647 -5.8647 -4.4399 -4.4399 -3.7254 -3.7254 -3.6996 -3.6996 -3.2403 -3.2403 2.1033 2.1033 4.8458 4.8458 5.1911 5.1911 8.3750 8.3750 9.0581 9.0581 12.4454 12.4454 13.2101 13.2101 k = 0.2885-0.1665 0.2355 ( 1980 PWs) bands (ev): -6.0087 -6.0087 -5.8630 -5.8630 -4.4251 -4.4251 -3.7239 -3.7239 -3.6951 -3.6951 -3.1879 -3.1879 1.9794 1.9795 4.7883 4.7883 5.1355 5.1355 8.3666 8.3666 9.0457 9.0457 12.5617 12.5617 13.3310 13.3310 k = 0.2981-0.1721 0.2434 ( 1980 PWs) bands (ev): -6.0122 -6.0122 -5.8614 -5.8614 -4.4114 -4.4114 -3.7227 -3.7227 -3.6905 -3.6905 -3.1330 -3.1330 1.8564 1.8564 4.7327 4.7327 5.0816 5.0816 8.3555 8.3555 9.0320 9.0320 12.6783 12.6783 13.4529 13.4529 k = 0.3077-0.1776 0.2512 ( 1980 PWs) bands (ev): -6.0156 -6.0156 -5.8597 -5.8597 -4.3987 -4.3987 -3.7218 -3.7218 -3.6859 -3.6859 -3.0755 -3.0755 1.7343 1.7343 4.6791 4.6791 5.0295 5.0295 8.3427 8.3427 9.0164 9.0164 12.7951 12.7951 13.5005 13.5005 k = 0.3173-0.1832 0.2591 ( 1980 PWs) bands (ev): -6.0189 -6.0189 -5.8581 -5.8581 -4.3870 -4.3870 -3.7210 -3.7210 -3.6813 -3.6813 -3.0158 -3.0158 1.6133 1.6134 4.6276 4.6276 4.9794 4.9794 8.3292 8.3292 8.9985 8.9985 12.9119 12.9119 13.5435 13.5435 k = 0.3269-0.1887 0.2669 ( 1980 PWs) bands (ev): -6.0220 -6.0220 -5.8566 -5.8566 -4.3763 -4.3763 -3.7203 -3.7203 -3.6768 -3.6768 -2.9540 -2.9540 1.4937 1.4937 4.5783 4.5783 4.9312 4.9312 8.3156 8.3156 8.9783 8.9783 13.0283 13.0283 13.5945 13.5945 k = 0.3365-0.1943 0.2748 ( 1980 PWs) bands (ev): -6.0250 -6.0250 -5.8551 -5.8551 -4.3664 -4.3664 -3.7197 -3.7197 -3.6724 -3.6724 -2.8904 -2.8904 1.3755 1.3755 4.5312 4.5312 4.8851 4.8851 8.3024 8.3024 8.9557 8.9557 13.1441 13.1441 13.6527 13.6527 k = 0.3462-0.1999 0.2826 ( 1980 PWs) bands (ev): -6.0279 -6.0279 -5.8537 -5.8537 -4.3574 -4.3574 -3.7192 -3.7192 -3.6682 -3.6682 -2.8253 -2.8253 1.2590 1.2590 4.4865 4.4865 4.8412 4.8412 8.2900 8.2900 8.9311 8.9311 13.2591 13.2591 13.7169 13.7169 k = 0.3558-0.2054 0.2905 ( 1980 PWs) bands (ev): -6.0305 -6.0305 -5.8523 -5.8523 -4.3491 -4.3491 -3.7187 -3.7187 -3.6641 -3.6641 -2.7589 -2.7589 1.1445 1.1445 4.4441 4.4441 4.7995 4.7995 8.2788 8.2788 8.9046 8.9046 13.3729 13.3729 13.7863 13.7863 k = 0.3654-0.2110 0.2983 ( 1972 PWs) bands (ev): -6.0330 -6.0330 -5.8510 -5.8510 -4.3416 -4.3416 -3.7182 -3.7182 -3.6602 -3.6602 -2.6915 -2.6915 1.0323 1.0323 4.4042 4.4042 4.7602 4.7602 8.2689 8.2689 8.8767 8.8767 13.4854 13.4854 13.8596 13.8596 k = 0.3750-0.2165 0.3062 ( 1976 PWs) bands (ev): -6.0354 -6.0354 -5.8498 -5.8498 -4.3348 -4.3348 -3.7178 -3.7178 -3.6565 -3.6565 -2.6236 -2.6236 0.9227 0.9227 4.3668 4.3668 4.7233 4.7233 8.2606 8.2606 8.8476 8.8476 13.5960 13.5960 13.9357 13.9357 k = 0.3846-0.2221 0.3140 ( 1988 PWs) bands (ev): -6.0376 -6.0376 -5.8486 -5.8486 -4.3287 -4.3287 -3.7174 -3.7174 -3.6530 -3.6530 -2.5555 -2.5555 0.8161 0.8161 4.3320 4.3320 4.6889 4.6889 8.2538 8.2538 8.8178 8.8178 13.7045 13.7045 14.0134 14.0134 k = 0.3942-0.2276 0.3219 ( 1988 PWs) bands (ev): -6.0396 -6.0396 -5.8476 -5.8476 -4.3232 -4.3232 -3.7170 -3.7170 -3.6498 -3.6498 -2.4877 -2.4877 0.7129 0.7129 4.2998 4.2998 4.6570 4.6570 8.2487 8.2487 8.7878 8.7878 13.8104 13.8104 14.0914 14.0914 k = 0.4038-0.2332 0.3297 ( 1984 PWs) bands (ev): -6.0415 -6.0415 -5.8466 -5.8466 -4.3183 -4.3183 -3.7166 -3.7166 -3.6467 -3.6467 -2.4209 -2.4209 0.6138 0.6138 4.2702 4.2702 4.6278 4.6278 8.2453 8.2453 8.7579 8.7579 13.9131 13.9131 14.1684 14.1684 k = 0.4135-0.2387 0.3376 ( 1992 PWs) bands (ev): -6.0432 -6.0432 -5.8457 -5.8457 -4.3140 -4.3139 -3.7163 -3.7163 -3.6440 -3.6440 -2.3556 -2.3556 0.5194 0.5194 4.2433 4.2433 4.6011 4.6011 8.2435 8.2435 8.7285 8.7285 14.0120 14.0120 14.2430 14.2430 k = 0.4231-0.2443 0.3454 ( 1992 PWs) bands (ev): -6.0447 -6.0447 -5.8449 -5.8449 -4.3101 -4.3101 -3.7160 -3.7160 -3.6415 -3.6415 -2.2926 -2.2926 0.4303 0.4303 4.2191 4.2191 4.5771 4.5771 8.2431 8.2431 8.7001 8.7001 14.1063 14.1063 14.3137 14.3137 k = 0.4327-0.2498 0.3533 ( 1992 PWs) bands (ev): -6.0460 -6.0460 -5.8441 -5.8441 -4.3068 -4.3068 -3.7158 -3.7158 -3.6392 -3.6392 -2.2329 -2.2329 0.3476 0.3476 4.1978 4.1978 4.5559 4.5559 8.2441 8.2441 8.6732 8.6732 14.1952 14.1952 14.3793 14.3793 k = 0.4423-0.2554 0.3611 ( 2004 PWs) bands (ev): -6.0472 -6.0472 -5.8436 -5.8436 -4.3040 -4.3040 -3.7155 -3.7155 -3.6373 -3.6373 -2.1774 -2.1773 0.2722 0.2722 4.1792 4.1792 4.5374 4.5374 8.2462 8.2462 8.6481 8.6481 14.2776 14.2776 14.4381 14.4381 k = 0.4519-0.2609 0.3690 ( 1996 PWs) bands (ev): -6.0482 -6.0482 -5.8430 -5.8430 -4.3016 -4.3016 -3.7153 -3.7153 -3.6356 -3.6356 -2.1272 -2.1272 0.2052 0.2052 4.1634 4.1634 4.5217 4.5217 8.2491 8.2491 8.6254 8.6254 14.3523 14.3523 14.4888 14.4888 k = 0.4615-0.2665 0.3768 ( 1992 PWs) bands (ev): -6.0490 -6.0490 -5.8425 -5.8425 -4.2997 -4.2997 -3.7152 -3.7152 -3.6342 -3.6342 -2.0837 -2.0837 0.1479 0.1479 4.1505 4.1505 4.5089 4.5089 8.2524 8.2524 8.6057 8.6057 14.4182 14.4182 14.5301 14.5301 k = 0.4712-0.2720 0.3847 ( 1984 PWs) bands (ev): -6.0496 -6.0496 -5.8422 -5.8422 -4.2982 -4.2982 -3.7150 -3.7150 -3.6331 -3.6331 -2.0481 -2.0481 0.1016 0.1016 4.1404 4.1404 4.4988 4.4988 8.2557 8.2557 8.5895 8.5895 14.4739 14.4739 14.5607 14.5607 k = 0.4808-0.2776 0.3925 ( 1972 PWs) bands (ev): -6.0500 -6.0500 -5.8419 -5.8419 -4.2971 -4.2971 -3.7149 -3.7149 -3.6323 -3.6323 -2.0216 -2.0216 0.0675 0.0675 4.1332 4.1332 4.4916 4.4916 8.2586 8.2586 8.5774 8.5774 14.5181 14.5181 14.5800 14.5800 k = 0.4904-0.2831 0.4004 ( 1964 PWs) bands (ev): -6.0503 -6.0503 -5.8417 -5.8417 -4.2965 -4.2965 -3.7148 -3.7148 -3.6318 -3.6318 -2.0052 -2.0052 0.0466 0.0466 4.1289 4.1289 4.4873 4.4873 8.2605 8.2605 8.5699 8.5699 14.5488 14.5488 14.5882 14.5882 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -6.0504 -6.0504 -5.8417 -5.8417 -4.2963 -4.2963 -3.7148 -3.7148 -3.6316 -3.6316 -1.9997 -1.9997 0.0395 0.0395 4.1274 4.1274 4.4859 4.4859 8.2612 8.2612 8.5673 8.5673 14.5611 14.5611 14.5890 14.5890 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -6.0504 -6.0504 -5.8417 -5.8417 -4.2963 -4.2963 -3.7148 -3.7148 -3.6316 -3.6316 -1.9997 -1.9997 0.0395 0.0395 4.1274 4.1274 4.4859 4.4859 8.2612 8.2612 8.5673 8.5673 14.5611 14.5611 14.5890 14.5890 k = 0.5000-0.2776 0.4161 ( 1964 PWs) bands (ev): -6.0550 -6.0457 -5.8424 -5.8409 -4.3105 -4.2821 -3.7162 -3.7132 -3.6344 -3.6292 -2.0047 -1.9939 0.0394 0.0399 4.1112 4.1399 4.4827 4.4855 8.2649 8.2653 8.5608 8.5843 14.5115 14.5271 14.6041 14.6363 k = 0.5000-0.2665 0.4240 ( 1974 PWs) bands (ev): -6.0595 -6.0411 -5.8432 -5.8400 -4.3249 -4.2681 -3.7176 -3.7115 -3.6375 -3.6270 -2.0090 -1.9873 0.0395 0.0404 4.0914 4.1485 4.4758 4.4813 8.2763 8.2771 8.5649 8.6114 14.4397 14.4748 14.6187 14.6813 k = 0.5000-0.2554 0.4318 ( 1978 PWs) bands (ev): -6.0639 -6.0364 -5.8438 -5.8392 -4.3394 -4.2543 -3.7188 -3.7097 -3.6409 -3.6252 -2.0123 -1.9800 0.0398 0.0413 4.0684 4.1533 4.4655 4.4737 8.2956 8.2963 8.5796 8.6485 14.3598 14.4133 14.6166 14.7140 k = 0.5000-0.2443 0.4397 ( 1982 PWs) bands (ev): -6.0683 -6.0317 -5.8444 -5.8383 -4.3538 -4.2408 -3.7199 -3.7078 -3.6446 -3.6236 -2.0149 -1.9721 0.0404 0.0423 4.0423 4.1543 4.4519 4.4627 8.3224 8.3228 8.6049 8.6950 14.2726 14.3442 14.5949 14.7301 k = 0.5000-0.2332 0.4475 ( 1986 PWs) bands (ev): -6.0725 -6.0270 -5.8450 -5.8374 -4.3681 -4.2276 -3.7209 -3.7058 -3.6485 -3.6224 -2.0166 -1.9635 0.0412 0.0436 4.0137 4.1516 4.4353 4.4485 8.3562 8.3565 8.6405 8.7505 14.1782 14.2686 14.5527 14.7245 k = 0.5000-0.2221 0.4554 ( 1982 PWs) bands (ev): -6.0766 -6.0224 -5.8454 -5.8364 -4.3823 -4.2146 -3.7217 -3.7036 -3.6527 -3.6214 -2.0175 -1.9544 0.0422 0.0450 3.9828 4.1456 4.4160 4.4316 8.3962 8.3977 8.6861 8.8146 14.0766 14.1875 14.4911 14.6921 k = 0.5000-0.2110 0.4632 ( 1982 PWs) bands (ev): -6.0805 -6.0178 -5.8457 -5.8355 -4.3964 -4.2020 -3.7225 -3.7013 -3.6572 -3.6207 -2.0176 -1.9449 0.0433 0.0466 3.9502 4.1364 4.3945 4.4122 8.4424 8.4453 8.7413 8.8868 13.9676 14.1013 14.4129 14.6304 k = 0.5000-0.1999 0.4711 ( 1982 PWs) bands (ev): -6.0843 -6.0134 -5.8460 -5.8346 -4.4102 -4.1897 -3.7232 -3.6990 -3.6619 -3.6202 -2.0170 -1.9351 0.0447 0.0484 3.9162 4.1244 4.3711 4.3907 8.4943 8.4989 8.8056 8.9665 13.8510 14.0108 14.3220 14.5416 k = 0.5000-0.1887 0.4789 ( 1980 PWs) bands (ev): -6.0879 -6.0090 -5.8462 -5.8336 -4.4237 -4.1778 -3.7238 -3.6965 -3.6667 -3.6200 -2.0157 -1.9250 0.0462 0.0503 3.8812 4.1101 4.3462 4.3677 8.5515 8.5579 8.8784 9.0533 13.7269 13.9164 14.2223 14.4311 k = 0.5000-0.1776 0.4868 ( 1980 PWs) bands (ev): -6.0914 -6.0048 -5.8463 -5.8327 -4.4369 -4.1664 -3.7243 -3.6939 -3.6717 -3.6201 -2.0139 -1.9147 0.0478 0.0524 3.8458 4.0938 4.3202 4.3434 8.6134 8.6217 8.9594 9.1467 13.5954 13.8185 14.1173 14.3048 k = 0.5000-0.1665 0.4946 ( 1980 PWs) bands (ev): -6.0947 -6.0008 -5.8463 -5.8318 -4.4496 -4.1554 -3.7247 -3.6913 -3.6768 -3.6204 -2.0115 -1.9044 0.0495 0.0545 3.8103 4.0759 4.2936 4.3183 8.6793 8.6895 9.0479 9.2462 13.4569 13.7175 14.0095 14.1678 k = 0.5000-0.1554 0.5025 ( 1972 PWs) bands (ev): -6.0978 -5.9969 -5.8462 -5.8309 -4.4619 -4.1448 -3.7251 -3.6886 -3.6820 -3.6208 -2.0086 -1.8941 0.0513 0.0566 3.7751 4.0570 4.2666 4.2928 8.7486 8.7606 9.1436 9.3512 13.3119 13.6136 13.9012 14.0242 k = 0.5000-0.1443 0.5103 ( 1964 PWs) bands (ev): -6.1007 -5.9932 -5.8461 -5.8301 -4.4736 -4.1347 -3.7255 -3.6872 -3.6858 -3.6215 -2.0054 -1.8839 0.0532 0.0589 3.7407 4.0374 4.2398 4.2674 8.8204 8.8342 9.2458 9.4613 13.1613 13.5066 13.7938 13.8773 k = 0.5000-0.1332 0.5182 ( 1976 PWs) bands (ev): -6.1034 -5.9898 -5.8459 -5.8293 -4.4848 -4.1252 -3.7258 -3.6924 -3.6830 -3.6224 -2.0019 -1.8740 0.0550 0.0610 3.7073 4.0175 4.2135 4.2423 8.8938 8.9094 9.3543 9.5759 13.0058 13.3960 13.6883 13.7305 k = 0.5000-0.1221 0.5260 ( 1972 PWs) bands (ev): -6.1059 -5.9865 -5.8456 -5.8286 -4.4953 -4.1161 -3.7262 -3.6974 -3.6802 -3.6235 -1.9982 -1.8645 0.0569 0.0632 3.6753 3.9978 4.1880 4.2180 8.9679 8.9853 9.4686 9.6945 12.8465 13.2810 13.5858 13.5873 k = 0.5000-0.1110 0.5339 ( 1964 PWs) bands (ev): -6.1082 -5.9836 -5.8453 -5.8279 -4.5051 -4.1077 -3.7265 -3.7022 -3.6773 -3.6247 -1.9945 -1.8554 0.0587 0.0653 3.6451 3.9786 4.1636 4.1947 9.0417 9.0609 9.5883 9.8164 12.6842 13.1601 13.4512 13.4871 k = 0.5000-0.0999 0.5417 ( 1964 PWs) bands (ev): -6.1103 -5.9808 -5.8450 -5.8272 -4.5142 -4.0998 -3.7269 -3.7068 -3.6744 -3.6261 -1.9908 -1.8468 0.0604 0.0673 3.6169 3.9601 4.1406 4.1727 9.1141 9.1351 9.7131 9.9408 12.5197 13.0322 13.3257 13.3930 k = 0.5000-0.0888 0.5496 ( 1964 PWs) bands (ev): -6.1122 -5.9784 -5.8446 -5.8266 -4.5224 -4.0927 -3.7275 -3.7109 -3.6716 -3.6277 -1.9871 -1.8389 0.0621 0.0692 3.5909 3.9429 4.1193 4.1524 9.1838 9.2067 9.8426 10.0670 12.3537 12.8978 13.2127 13.3045 k = 0.5000-0.0777 0.5574 ( 1960 PWs) bands (ev): -6.1139 -5.9762 -5.8442 -5.8261 -4.5298 -4.0862 -3.7282 -3.7145 -3.6688 -3.6293 -1.9837 -1.8317 0.0636 0.0710 3.5675 3.9270 4.1000 4.1339 9.2498 9.2746 9.9766 10.1936 12.1870 12.7590 13.1128 13.2226 k = 0.5000-0.0666 0.5653 ( 1956 PWs) bands (ev): -6.1153 -5.9743 -5.8438 -5.8256 -4.5363 -4.0805 -3.7292 -3.7174 -3.6660 -3.6310 -1.9805 -1.8252 0.0650 0.0726 3.5467 3.9127 4.0828 4.1175 9.3107 9.3373 10.1145 10.3193 12.0202 12.6193 13.0254 13.1483 k = 0.5000-0.0555 0.5731 ( 1958 PWs) bands (ev): -6.1166 -5.9727 -5.8435 -5.8252 -4.5418 -4.0755 -3.7305 -3.7195 -3.6633 -3.6328 -1.9777 -1.8197 0.0662 0.0739 3.5288 3.9003 4.0679 4.1033 9.3652 9.3936 10.2561 10.4418 11.8538 12.4827 12.9504 13.0827 k = 0.5000-0.0444 0.5810 ( 1962 PWs) bands (ev): -6.1176 -5.9714 -5.8432 -5.8249 -4.5465 -4.0714 -3.7321 -3.7209 -3.6608 -3.6346 -1.9753 -1.8151 0.0672 0.0751 3.5140 3.8899 4.0556 4.0914 9.4120 9.4420 10.4008 10.5578 11.6886 12.3538 12.8878 13.0270 k = 0.5000-0.0333 0.5888 ( 1966 PWs) bands (ev): -6.1184 -5.9704 -5.8430 -5.8247 -4.5501 -4.0681 -3.7336 -3.7217 -3.6586 -3.6364 -1.9734 -1.8114 0.0680 0.0760 3.5024 3.8817 4.0458 4.0821 9.4498 9.4814 10.5478 10.6625 11.5255 12.2384 12.8381 12.9823 k = 0.5000-0.0222 0.5967 ( 1964 PWs) bands (ev): -6.1189 -5.9697 -5.8428 -5.8245 -4.5527 -4.0658 -3.7348 -3.7222 -3.6566 -3.6379 -1.9720 -1.8088 0.0686 0.0767 3.4940 3.8758 4.0388 4.0754 9.4777 9.5104 10.6954 10.7486 11.3665 12.1442 12.8020 12.9495 k = 0.5000-0.0111 0.6045 ( 1964 PWs) bands (ev): -6.1193 -5.9693 -5.8427 -5.8244 -4.5542 -4.0644 -3.7356 -3.7225 -3.6553 -3.6390 -1.9711 -1.8072 0.0690 0.0771 3.4889 3.8722 4.0345 4.0713 9.4949 9.5282 10.8067 10.8367 11.2182 12.0812 12.7800 12.9296 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -6.1194 -5.9691 -5.8426 -5.8243 -4.5547 -4.0639 -3.7359 -3.7226 -3.6548 -3.6394 -1.9708 -1.8066 0.0691 0.0772 3.4872 3.8710 4.0331 4.0700 9.5006 9.5342 10.8274 10.9218 11.1308 12.0588 12.7726 12.9229 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -6.1194 -5.9691 -5.8426 -5.8243 -4.5547 -4.0639 -3.7359 -3.7226 -3.6548 -3.6394 -1.9708 -1.8066 0.0691 0.0772 3.4872 3.8710 4.0331 4.0700 9.5006 9.5342 10.8274 10.9218 11.1308 12.0588 12.7726 12.9229 k = 0.4934 0.0114 0.6124 ( 1964 PWs) bands (ev): -6.1193 -5.9692 -5.8427 -5.8243 -4.5545 -4.0642 -3.7358 -3.7226 -3.6550 -3.6392 -1.9720 -1.8079 0.0700 0.0783 3.4862 3.8734 4.0195 4.0881 9.4963 9.5294 10.8172 10.8769 11.1781 12.0672 12.7781 12.9327 k = 0.4868 0.0228 0.6124 ( 1966 PWs) bands (ev): -6.1191 -5.9694 -5.8429 -5.8243 -4.5538 -4.0651 -3.7357 -3.7226 -3.6556 -3.6387 -1.9752 -1.8113 0.0723 0.0811 3.4827 3.8792 4.0014 4.1214 9.4825 9.5141 10.7764 10.8048 11.2716 12.0933 12.7950 12.9586 k = 0.4803 0.0342 0.6124 ( 1964 PWs) bands (ev): -6.1186 -5.9697 -5.8433 -5.8243 -4.5527 -4.0666 -3.7354 -3.7226 -3.6565 -3.6378 -1.9801 -1.8166 0.0759 0.0854 3.4766 3.8831 3.9933 4.1606 9.4580 9.4877 10.6930 10.7578 11.3776 12.1368 12.8234 12.9967 k = 0.4737 0.0456 0.6124 ( 1962 PWs) bands (ev): -6.1181 -5.9702 -5.8438 -5.8243 -4.5511 -4.0686 -3.7350 -3.7226 -3.6575 -3.6368 -1.9864 -1.8233 0.0802 0.0906 3.4680 3.8779 4.0032 4.2037 9.4211 9.4505 10.6098 10.7082 11.4890 12.1957 12.8622 13.0438 k = 0.4671 0.0570 0.6124 ( 1958 PWs) bands (ev): -6.1174 -5.9708 -5.8444 -5.8242 -4.5492 -4.0712 -3.7346 -3.7226 -3.6586 -3.6357 -1.9936 -1.8312 0.0850 0.0964 3.4574 3.8638 4.0304 4.2499 9.3702 9.4039 10.5360 10.6554 11.6034 12.2673 12.9101 13.0979 k = 0.4605 0.0684 0.6124 ( 1958 PWs) bands (ev): -6.1165 -5.9715 -5.8451 -5.8241 -4.5469 -4.0742 -3.7341 -3.7225 -3.6598 -3.6345 -2.0015 -1.8399 0.0902 0.1025 3.4456 3.8454 4.0696 4.2985 9.3058 9.3486 10.4734 10.6031 11.7201 12.3490 12.9656 13.1574 k = 0.4539 0.0798 0.6124 ( 1964 PWs) bands (ev): -6.1156 -5.9724 -5.8459 -5.8240 -4.5443 -4.0776 -3.7336 -3.7224 -3.6609 -3.6333 -2.0098 -1.8491 0.0955 0.1087 3.4329 3.8258 4.1165 4.3487 9.2304 9.2852 10.4219 10.5542 11.8385 12.4384 13.0272 13.2207 k = 0.4474 0.0912 0.6124 ( 1964 PWs) bands (ev): -6.1146 -5.9733 -5.8468 -5.8238 -4.5415 -4.0813 -3.7331 -3.7223 -3.6620 -3.6321 -2.0183 -1.8585 0.1008 0.1148 3.4201 3.8064 4.1687 4.3995 9.1474 9.2145 10.3803 10.5104 11.9582 12.5338 13.0937 13.2867 k = 0.4408 0.1026 0.6124 ( 1957 PWs) bands (ev): -6.1136 -5.9743 -5.8477 -5.8236 -4.5384 -4.0853 -3.7326 -3.7221 -3.6629 -3.6310 -2.0266 -1.8679 0.1058 0.1206 3.4074 3.7880 4.2244 4.4501 9.0604 9.1381 10.3470 10.4725 12.0789 12.6332 13.1638 13.3540 k = 0.4342 0.1140 0.6124 ( 1957 PWs) bands (ev): -6.1125 -5.9754 -5.8485 -5.8234 -4.5353 -4.0893 -3.7321 -3.7218 -3.6638 -3.6299 -2.0346 -1.8770 0.1106 0.1260 3.3953 3.7708 4.2823 4.4994 8.9725 9.0582 10.3204 10.4404 12.1999 12.7353 13.2364 13.4213 k = 0.4276 0.1253 0.6124 ( 1963 PWs) bands (ev): -6.1114 -5.9764 -5.8494 -5.8233 -4.5321 -4.0934 -3.7318 -3.7214 -3.6647 -3.6290 -2.0422 -1.8857 0.1149 0.1309 3.3839 3.7551 4.3408 4.5463 8.8870 8.9770 10.2991 10.4138 12.3208 12.8383 13.3105 13.4872 k = 0.4211 0.1367 0.6124 ( 1964 PWs) bands (ev): -6.1103 -5.9775 -5.8502 -5.8231 -4.5291 -4.0974 -3.7316 -3.7210 -3.6654 -3.6281 -2.0492 -1.8938 0.1189 0.1353 3.3734 3.7411 4.3988 4.5897 8.8064 8.8969 10.2821 10.3921 12.4407 12.9406 13.3855 13.5500 k = 0.4145 0.1481 0.6124 ( 1962 PWs) bands (ev): -6.1093 -5.9786 -5.8509 -5.8229 -4.5261 -4.1011 -3.7314 -3.7206 -3.6660 -3.6273 -2.0554 -1.9011 0.1224 0.1391 3.3642 3.7288 4.4548 4.6284 8.7332 8.8202 10.2685 10.3747 12.5583 13.0399 13.4605 13.6079 k = 0.4079 0.1595 0.6124 ( 1962 PWs) bands (ev): -6.1084 -5.9795 -5.8516 -5.8228 -4.5235 -4.1045 -3.7313 -3.7201 -3.6665 -3.6266 -2.0609 -1.9075 0.1253 0.1423 3.3561 3.7183 4.5074 4.6614 8.6693 8.7493 10.2577 10.3609 12.6721 13.1339 13.5351 13.6586 k = 0.4013 0.1709 0.6124 ( 1964 PWs) bands (ev): -6.1076 -5.9804 -5.8521 -5.8227 -4.5211 -4.1075 -3.7312 -3.7197 -3.6669 -3.6260 -2.0654 -1.9129 0.1278 0.1450 3.3494 3.7097 4.5552 4.6877 8.6166 8.6861 10.2493 10.3503 12.7792 13.2197 13.6083 13.6993 k = 0.3947 0.1823 0.6124 ( 1956 PWs) bands (ev): -6.1069 -5.9810 -5.8525 -5.8225 -4.5192 -4.1099 -3.7312 -3.7193 -3.6672 -3.6256 -2.0690 -1.9172 0.1297 0.1470 3.3442 3.7029 4.5965 4.7066 8.5763 8.6325 10.2431 10.3425 12.8755 13.2941 13.6778 13.7261 k = 0.3882 0.1937 0.6124 ( 1952 PWs) bands (ev): -6.1064 -5.9816 -5.8528 -5.8225 -4.5178 -4.1117 -3.7312 -3.7190 -3.6674 -3.6252 -2.0716 -1.9203 0.1311 0.1485 3.3404 3.6981 4.6295 4.7181 8.5493 8.5905 10.2387 10.3371 12.9546 13.3541 13.7348 13.7385 k = 0.3816 0.2051 0.6124 ( 1952 PWs) bands (ev): -6.1061 -5.9819 -5.8530 -5.8224 -4.5169 -4.1128 -3.7312 -3.7188 -3.6676 -3.6250 -2.0732 -1.9222 0.1319 0.1494 3.3381 3.6952 4.6517 4.7233 8.5356 8.5619 10.2361 10.3340 13.0079 13.3954 13.7296 13.7799 k = 0.3750 0.2165 0.6124 ( 1954 PWs) bands (ev): -6.1060 -5.9820 -5.8531 -5.8224 -4.5166 -4.1132 -3.7312 -3.7188 -3.6676 -3.6250 -2.0737 -1.9228 0.1321 0.1496 3.3373 3.6942 4.6598 4.7245 8.5325 8.5507 10.2353 10.3329 13.0269 13.4108 13.7241 13.7947 k = 0.3750 0.2165 0.6124 ( 1954 PWs) bands (ev): -6.1060 -5.9820 -5.8531 -5.8224 -4.5166 -4.1132 -3.7312 -3.7188 -3.6676 -3.6250 -2.0737 -1.9228 0.1321 0.1496 3.3373 3.6942 4.6598 4.7245 8.5325 8.5507 10.2353 10.3329 13.0269 13.4108 13.7241 13.7947 k = 0.3682 0.2126 0.6012 ( 1954 PWs) bands (ev): -6.1066 -5.9801 -5.8537 -5.8219 -4.5237 -4.1097 -3.7319 -3.7242 -3.6650 -3.6261 -2.0913 -1.9356 0.1530 0.1711 3.3104 3.6689 4.6967 4.7617 8.5470 8.5625 10.3609 10.4348 12.9449 13.3332 13.6806 13.7720 k = 0.3614 0.2086 0.5901 ( 1959 PWs) bands (ev): -6.1070 -5.9784 -5.8544 -5.8216 -4.5301 -4.1069 -3.7327 -3.7295 -3.6625 -3.6272 -2.1125 -1.9522 0.1775 0.1957 3.2892 3.6487 4.7352 4.8005 8.5607 8.5733 10.4783 10.5266 12.8606 13.2502 13.6355 13.7492 k = 0.3545 0.2047 0.5790 ( 1967 PWs) bands (ev): -6.1072 -5.9769 -5.8551 -5.8215 -4.5360 -4.1049 -3.7347 -3.7335 -3.6602 -3.6284 -2.1373 -1.9725 0.2057 0.2239 3.2740 3.6339 4.7752 4.8410 8.5734 8.5827 10.5862 10.6077 12.7736 13.1638 13.5736 13.7077 k = 0.3477 0.2008 0.5678 ( 1967 PWs) bands (ev): -6.1070 -5.9755 -5.8558 -5.8216 -4.5413 -4.1035 -3.7398 -3.7344 -3.6580 -3.6296 -2.1659 -1.9967 0.2381 0.2557 3.2647 3.6246 4.8166 4.8830 8.5848 8.5907 10.6779 10.6833 12.6837 13.0758 13.4894 13.6359 k = 0.3409 0.1968 0.5567 ( 1963 PWs) bands (ev): -6.1065 -5.9742 -5.8565 -5.8219 -4.5460 -4.1029 -3.7447 -3.7352 -3.6561 -3.6309 -2.1982 -2.0248 0.2749 0.2913 3.2614 3.6211 4.8594 4.9263 8.5948 8.5968 10.7374 10.7691 12.5913 12.9872 13.3916 13.5396 k = 0.3341 0.1929 0.5456 ( 1963 PWs) bands (ev): -6.1058 -5.9731 -5.8573 -5.8224 -4.5503 -4.1029 -3.7495 -3.7361 -3.6544 -3.6322 -2.2344 -2.0569 0.3161 0.3310 3.2641 3.6234 4.9033 4.9709 8.6010 8.6031 10.7868 10.8437 12.4967 12.8988 13.2881 13.4294 k = 0.3273 0.1890 0.5344 ( 1963 PWs) bands (ev): -6.1048 -5.9721 -5.8580 -5.8232 -4.5542 -4.1037 -3.7541 -3.7370 -3.6529 -3.6335 -2.2742 -2.0927 0.3619 0.3747 3.2728 3.6313 4.9484 5.0166 8.6028 8.6094 10.8273 10.9076 12.4004 12.8113 13.1831 13.3121 k = 0.3205 0.1850 0.5233 ( 1969 PWs) bands (ev): -6.1036 -5.9711 -5.8588 -5.8242 -4.5576 -4.1051 -3.7585 -3.7379 -3.6518 -3.6349 -2.3175 -2.1321 0.4123 0.4226 3.2872 3.6450 4.9944 5.0634 8.6021 8.6134 10.8602 10.9618 12.3028 12.7250 13.0784 13.1913 k = 0.3136 0.1811 0.5122 ( 1969 PWs) bands (ev): -6.1020 -5.9703 -5.8596 -5.8254 -4.5607 -4.1073 -3.7628 -3.7388 -3.6508 -3.6363 -2.3640 -2.1749 0.4674 0.4747 3.3072 3.6643 5.0413 5.1111 8.5987 8.6150 10.8868 11.0075 12.2047 12.6403 12.9751 13.0691 k = 0.3068 0.1771 0.5010 ( 1963 PWs) bands (ev): -6.1002 -5.9695 -5.8603 -5.8269 -4.5635 -4.1101 -3.7668 -3.7397 -3.6502 -3.6378 -2.4134 -2.2209 0.5272 0.5310 3.3328 3.6892 5.0890 5.1596 8.5924 8.6139 10.9085 11.0460 12.1067 12.5574 12.8736 12.9467 k = 0.3000 0.1732 0.4899 ( 1959 PWs) bands (ev): -6.0982 -5.9687 -5.8611 -5.8285 -4.5661 -4.1137 -3.7706 -3.7406 -3.6499 -3.6393 -2.4655 -2.2697 0.5915 0.5915 3.3637 3.7194 5.1374 5.2088 8.5831 8.6099 10.9266 11.0785 12.0094 12.4765 12.7744 12.8247 k = 0.2932 0.1693 0.4788 ( 1963 PWs) bands (ev): -6.0958 -5.9680 -5.8620 -5.8303 -4.5684 -4.1180 -3.7743 -3.7415 -3.6498 -3.6408 -2.5199 -2.3211 0.6560 0.6603 3.3997 3.7549 5.1862 5.2586 8.5706 8.6029 10.9421 11.1059 11.9138 12.3979 12.6777 12.7037 k = 0.2864 0.1653 0.4676 ( 1963 PWs) bands (ev): -6.0932 -5.9673 -5.8628 -5.8324 -4.5707 -4.1231 -3.7777 -3.7424 -3.6500 -3.6424 -2.5762 -2.3748 0.7246 0.7335 3.4407 3.7954 5.2356 5.3088 8.5548 8.5927 10.9559 11.1283 11.8213 12.3218 12.5835 12.5840 k = 0.2795 0.1614 0.4565 ( 1967 PWs) bands (ev): -6.0904 -5.9667 -5.8636 -5.8346 -4.5728 -4.1290 -3.7810 -3.7434 -3.6505 -3.6440 -2.6340 -2.4304 0.7972 0.8108 3.4864 3.8407 5.2852 5.3594 8.5359 8.5794 10.9685 11.1451 11.7339 12.2483 12.4661 12.4919 k = 0.2727 0.1575 0.4454 ( 1963 PWs) bands (ev): -6.0873 -5.9660 -5.8645 -5.8369 -4.5750 -4.1358 -3.7841 -3.7443 -3.6513 -3.6457 -2.6930 -2.4875 0.8736 0.8923 3.5367 3.8908 5.3350 5.4102 8.5137 8.5628 10.9805 11.1541 11.6548 12.1776 12.3502 12.4029 k = 0.2659 0.1535 0.4342 ( 1967 PWs) bands (ev): -6.0840 -5.9653 -5.8653 -5.8394 -4.5772 -4.1435 -3.7870 -3.7453 -3.6524 -3.6474 -2.7527 -2.5459 0.9538 0.9777 3.5913 3.9453 5.3850 5.4610 8.4884 8.5431 10.9918 11.1513 11.5889 12.1098 12.2369 12.3166 k = 0.2591 0.1496 0.4231 ( 1961 PWs) bands (ev): -6.0803 -5.9646 -5.8662 -5.8420 -4.5795 -4.1521 -3.7897 -3.7462 -3.6536 -3.6492 -2.8128 -2.6053 1.0376 1.0669 3.6501 4.0041 5.4348 5.5118 8.4601 8.5204 11.0024 11.1314 11.5423 12.0443 12.1273 12.2328 k = 0.2523 0.1456 0.4120 ( 1961 PWs) bands (ev): -6.0765 -5.9639 -5.8671 -5.8446 -4.5820 -4.1618 -3.7923 -3.7472 -3.6552 -3.6510 -2.8728 -2.6652 1.1251 1.1597 3.7128 4.0670 5.4846 5.5625 8.4289 8.4946 11.0118 11.0912 11.5183 11.9767 12.0264 12.1516 k = 0.2455 0.1417 0.4008 ( 1965 PWs) bands (ev): -6.0724 -5.9631 -5.8680 -5.8474 -4.5847 -4.1726 -3.7948 -3.7481 -3.6570 -3.6529 -2.9325 -2.7255 1.2160 1.2561 3.7792 4.1337 5.5340 5.6129 8.3950 8.4661 11.0196 11.0333 11.5148 11.8911 11.9508 12.0729 k = 0.2386 0.1378 0.3897 ( 1969 PWs) bands (ev): -6.0681 -5.9623 -5.8689 -5.8502 -4.5876 -4.1846 -3.7971 -3.7491 -3.6590 -3.6548 -2.9914 -2.7858 1.3102 1.3557 3.8492 4.2040 5.5831 5.6628 8.3586 8.4349 10.9635 11.0248 11.5260 11.7919 11.8967 11.9966 k = 0.2318 0.1338 0.3786 ( 1973 PWs) bands (ev): -6.0636 -5.9615 -5.8698 -5.8531 -4.5910 -4.1978 -3.7992 -3.7501 -3.6612 -3.6568 -3.0492 -2.8459 1.4078 1.4585 3.9225 4.2777 5.6317 5.7122 8.3197 8.4012 10.8871 11.0267 11.5467 11.6917 11.8524 11.9226 k = 0.2250 0.1299 0.3674 ( 1973 PWs) bands (ev): -6.0588 -5.9606 -5.8707 -5.8560 -4.5947 -4.2125 -3.8013 -3.7512 -3.6635 -3.6589 -3.1055 -2.9054 1.5085 1.5643 3.9989 4.3546 5.6796 5.7610 8.2787 8.3653 10.8076 11.0241 11.5730 11.5935 11.8155 11.8510 k = 0.2182 0.1260 0.3563 ( 1969 PWs) bands (ev): -6.0538 -5.9596 -5.8716 -5.8588 -4.5989 -4.2286 -3.8033 -3.7523 -3.6660 -3.6609 -3.1600 -2.9641 1.6122 1.6731 4.0782 4.4345 5.7269 5.8090 8.2358 8.3273 10.7273 11.0162 11.4982 11.6026 11.7817 11.7857 k = 0.2114 0.1220 0.3452 ( 1969 PWs) bands (ev): -6.0486 -5.9586 -5.8726 -5.8617 -4.6035 -4.2463 -3.8052 -3.7535 -3.6686 -3.6630 -3.2125 -3.0218 1.7189 1.7845 4.1603 4.5170 5.7733 5.8562 8.1910 8.2875 10.6473 11.0021 11.4064 11.6335 11.7147 11.7626 k = 0.2045 0.1181 0.3340 ( 1973 PWs) bands (ev): -6.0433 -5.9575 -5.8735 -5.8646 -4.6088 -4.2656 -3.8071 -3.7548 -3.6714 -3.6652 -3.2626 -3.0782 1.8284 1.8985 4.2449 4.6020 5.8187 5.9023 8.1446 8.2460 10.5686 10.9812 11.3188 11.6479 11.6666 11.7457 k = 0.1977 0.1142 0.3229 ( 1973 PWs) bands (ev): -6.0377 -5.9563 -5.8745 -5.8674 -4.6147 -4.2866 -3.8089 -3.7561 -3.6742 -3.6674 -3.3101 -3.1331 1.9406 2.0149 4.3317 4.6892 5.8632 5.9474 8.0967 8.2029 10.4919 10.9530 11.2364 11.5864 11.6954 11.7338 k = 0.1909 0.1102 0.3118 ( 1973 PWs) bands (ev): -6.0319 -5.9550 -5.8754 -5.8702 -4.6213 -4.3093 -3.8108 -3.7576 -3.6771 -3.6697 -3.3549 -3.1863 2.0554 2.1336 4.4206 4.7784 5.9065 5.9913 8.0474 8.1584 10.4175 10.9168 11.1604 11.5258 11.7231 11.7256 k = 0.1841 0.1063 0.3006 ( 1971 PWs) bands (ev): -6.0260 -5.9537 -5.8764 -5.8729 -4.6285 -4.3336 -3.8126 -3.7593 -3.6801 -3.6719 -3.3966 -3.2375 2.1727 2.2544 4.5113 4.8692 5.9486 6.0339 7.9969 8.1127 10.3457 10.8721 11.0924 11.4674 11.7194 11.7475 k = 0.1773 0.1023 0.2895 ( 1971 PWs) bands (ev): -6.0200 -5.9522 -5.8773 -5.8755 -4.6366 -4.3596 -3.8145 -3.7611 -3.6830 -3.6742 -3.4353 -3.2867 2.2924 2.3772 4.6036 4.9613 5.9894 6.0752 7.9453 8.0659 10.2769 10.8186 11.0333 11.4111 11.7138 11.7675 k = 0.1705 0.0984 0.2784 ( 1973 PWs) bands (ev): -6.0138 -5.9507 -5.8783 -5.8780 -4.6454 -4.3870 -3.8165 -3.7632 -3.6860 -3.6765 -3.4710 -3.3335 2.4143 2.5017 4.6972 5.0545 6.0288 6.1150 7.8926 8.0179 10.2113 10.7577 10.9827 11.3570 11.7070 11.7820 k = 0.1636 0.0945 0.2672 ( 1973 PWs) bands (ev): -6.0076 -5.9491 -5.8805 -5.8793 -4.6551 -4.4159 -3.8186 -3.7656 -3.6889 -3.6788 -3.5034 -3.3779 2.5383 2.6279 4.7918 5.1484 6.0668 6.1533 7.8390 7.9689 10.1489 10.6915 10.9394 11.3051 11.6978 11.7901 k = 0.1568 0.0905 0.2561 ( 1967 PWs) bands (ev): -6.0012 -5.9474 -5.8828 -5.8803 -4.6655 -4.4458 -3.8209 -3.7683 -3.6918 -3.6810 -3.5329 -3.4196 2.6643 2.7556 4.8872 5.2427 6.1033 6.1901 7.7845 7.9189 10.0901 10.6222 10.9018 11.2556 11.6849 11.7908 k = 0.1500 0.0866 0.2449 ( 1967 PWs) bands (ev): -5.9947 -5.9456 -5.8850 -5.8813 -4.6768 -4.4768 -3.8234 -3.7715 -3.6947 -3.6833 -3.5593 -3.4584 2.7921 2.8845 4.9831 5.3370 6.1383 6.2253 7.7291 7.8680 10.0348 10.5513 10.8688 11.2084 11.6676 11.7836 k = 0.1432 0.0827 0.2338 ( 1965 PWs) bands (ev): -5.9882 -5.9437 -5.8871 -5.8822 -4.6889 -4.5084 -3.8260 -3.7753 -3.6974 -3.6856 -3.5829 -3.4943 2.9216 3.0145 5.0792 5.4309 6.1716 6.2589 7.6729 7.8159 9.9833 10.4799 10.8399 11.1636 11.6453 11.7680 k = 0.1364 0.0787 0.2227 ( 1965 PWs) bands (ev): -5.9817 -5.9417 -5.8891 -5.8832 -4.7018 -4.5404 -3.8290 -3.7796 -3.7001 -3.6878 -3.6038 -3.5270 3.0525 3.1454 5.1750 5.5239 6.2034 6.2908 7.6159 7.7628 9.9354 10.4086 10.8149 11.1214 11.6178 11.7440 k = 0.1295 0.0748 0.2115 ( 1971 PWs) bands (ev): -5.9753 -5.9396 -5.8910 -5.8842 -4.7154 -4.5726 -3.8322 -3.7847 -3.7027 -3.6900 -3.6221 -3.5566 3.1848 3.2770 5.2703 5.6158 6.2334 6.3210 7.5580 7.7085 9.8912 10.3379 10.7938 11.0819 11.5851 11.7117 k = 0.1227 0.0709 0.2004 ( 1971 PWs) bands (ev): -5.9688 -5.9375 -5.8927 -5.8852 -4.7297 -4.6046 -3.8356 -3.7906 -3.7051 -3.6922 -3.6381 -3.5828 3.3181 3.4090 5.3648 5.7059 6.2618 6.3496 7.4994 7.6530 9.8506 10.2679 10.7766 11.0452 11.5477 11.6719 k = 0.1159 0.0669 0.1893 ( 1969 PWs) bands (ev): -5.9624 -5.9352 -5.8942 -5.8862 -4.7445 -4.6362 -3.8394 -3.7973 -3.7073 -3.6943 -3.6520 -3.6056 3.4523 3.5412 5.4579 5.7938 6.2884 6.3764 7.4399 7.5960 9.8136 10.1990 10.7634 11.0114 11.5062 11.6253 k = 0.1091 0.0630 0.1781 ( 1971 PWs) bands (ev): -5.9562 -5.9329 -5.8956 -5.8872 -4.7598 -4.6672 -3.8434 -3.8048 -3.7095 -3.6963 -3.6638 -3.6253 3.5871 3.6733 5.5494 5.8791 6.3133 6.4016 7.3796 7.5375 9.7800 10.1313 10.7543 10.9809 11.4614 11.5732 k = 0.1023 0.0590 0.1670 ( 1971 PWs) bands (ev): -5.9501 -5.9305 -5.8969 -5.8882 -4.7753 -4.6973 -3.8476 -3.8131 -3.7114 -3.6983 -3.6739 -3.6418 3.7223 3.8051 5.6387 5.9612 6.3364 6.4251 7.3185 7.4774 9.7496 10.0651 10.7494 10.9537 11.4143 11.5168 k = 0.0955 0.0551 0.1559 ( 1973 PWs) bands (ev): -5.9441 -5.9280 -5.8980 -5.8892 -4.7911 -4.7263 -3.8520 -3.8218 -3.7132 -3.7002 -3.6824 -3.6556 3.8574 3.9362 5.7255 6.0395 6.3577 6.4469 7.2567 7.4154 9.7220 10.0006 10.7486 10.9302 11.3657 11.4576 k = 0.0886 0.0512 0.1447 ( 1977 PWs) bands (ev): -5.9384 -5.9255 -5.8990 -5.8902 -4.8069 -4.7539 -3.8565 -3.8308 -3.7147 -3.7021 -3.6896 -3.6670 3.9923 4.0662 5.8094 6.1137 6.3772 6.4672 7.1941 7.3515 9.6970 9.9382 10.7519 10.9104 11.3167 11.3970 k = 0.0818 0.0472 0.1336 ( 1981 PWs) bands (ev): -5.9330 -5.9230 -5.8999 -5.8912 -4.8225 -4.7801 -3.8610 -3.8398 -3.7161 -3.7038 -3.6955 -3.6763 4.1263 4.1948 5.8898 6.1831 6.3950 6.4859 7.1309 7.2855 9.6740 9.8783 10.7592 10.8947 11.2682 11.3364 k = 0.0750 0.0433 0.1225 ( 1975 PWs) bands (ev): -5.9279 -5.9204 -5.9006 -5.8921 -4.8378 -4.8046 -3.8654 -3.8485 -3.7173 -3.7055 -3.7004 -3.6839 4.2590 4.3213 5.9663 6.2472 6.4111 6.5030 7.0674 7.2175 9.6529 9.8213 10.7702 10.8832 11.2211 11.2772 k = 0.0682 0.0394 0.1113 ( 1975 PWs) bands (ev): -5.9231 -5.9179 -5.9012 -5.8930 -4.8526 -4.8273 -3.8698 -3.8567 -3.7182 -3.7071 -3.7044 -3.6901 4.3899 4.4454 6.0384 6.3051 6.4258 6.5187 7.0038 7.1476 9.6330 9.7677 10.7845 10.8760 11.1761 11.2206 k = 0.0614 0.0354 0.1002 ( 1975 PWs) bands (ev): -5.9187 -5.9154 -5.9016 -5.8940 -4.8668 -4.8481 -3.8740 -3.8642 -3.7190 -3.7086 -3.7077 -3.6953 4.5181 4.5662 6.1056 6.3553 6.4400 6.5330 6.9406 7.0760 9.6141 9.7180 10.8015 10.8731 11.1337 11.1677 k = 0.0545 0.0315 0.0891 ( 1975 PWs) bands (ev): -5.9148 -5.9130 -5.9019 -5.8949 -4.8801 -4.8668 -3.8780 -3.8709 -3.7195 -3.7104 -3.7100 -3.6996 4.6426 4.6831 6.1675 6.3947 6.4564 6.5460 6.8787 7.0032 9.5960 9.6727 10.8206 10.8742 11.0945 11.1192 k = 0.0477 0.0276 0.0779 ( 1975 PWs) bands (ev): -5.9113 -5.9106 -5.9021 -5.8957 -4.8924 -4.8834 -3.8817 -3.8769 -3.7199 -3.7125 -3.7113 -3.7032 4.7624 4.7948 6.2234 6.4181 6.4795 6.5576 6.8191 6.9300 9.5785 9.6322 10.8410 10.8791 11.0590 11.0759 k = 0.0409 0.0236 0.0668 ( 1967 PWs) bands (ev): -5.9085 -5.9083 -5.9022 -5.8966 -4.9036 -4.8978 -3.8850 -3.8819 -3.7200 -3.7141 -3.7125 -3.7063 4.8757 4.9002 6.2728 6.4269 6.5073 6.5680 6.7635 6.8576 9.5618 9.5969 10.8618 10.8869 11.0275 11.0382 k = 0.0341 0.0197 0.0557 ( 1959 PWs) bands (ev): -5.9064 -5.9057 -5.9021 -5.8973 -4.9134 -4.9100 -3.8879 -3.8861 -3.7199 -3.7154 -3.7136 -3.7089 4.9805 4.9975 6.3149 6.4266 6.5338 6.5771 6.7137 6.7879 9.5461 9.5671 10.8818 10.8969 11.0003 11.0064 k = 0.0273 0.0157 0.0445 ( 1965 PWs) bands (ev): -5.9047 -5.9037 -5.9020 -5.8981 -4.9217 -4.9200 -3.8904 -3.8895 -3.7197 -3.7163 -3.7145 -3.7111 5.0742 5.0845 6.3487 6.4202 6.5562 6.5849 6.6719 6.7238 9.5319 9.5429 10.8999 10.9078 10.9776 10.9805 k = 0.0205 0.0118 0.0334 ( 1965 PWs) bands (ev): -5.9032 -5.9022 -5.9017 -5.8988 -4.9284 -4.9276 -3.8924 -3.8921 -3.7193 -3.7169 -3.7154 -3.7130 5.1533 5.1584 6.3730 6.4101 6.5736 6.5912 6.6395 6.6692 9.5197 9.5244 10.9151 10.9184 10.9596 10.9606 k = 0.0136 0.0079 0.0223 ( 1969 PWs) bands (ev): -5.9021 -5.9014 -5.9012 -5.8995 -4.9333 -4.9331 -3.8940 -3.8938 -3.7187 -3.7172 -3.7161 -3.7146 5.2139 5.2156 6.3866 6.3996 6.5861 6.5958 6.6165 6.6286 9.5102 9.5116 10.9265 10.9274 10.9465 10.9465 k = 0.0068 0.0039 0.0111 ( 1989 PWs) bands (ev): -5.9013 -5.9010 -5.9008 -5.9002 -4.9363 -4.9363 -3.8949 -3.8949 -3.7180 -3.7172 -3.7167 -3.7159 5.2521 5.2523 6.3907 6.3925 6.5940 6.5981 6.6025 6.6052 9.5039 9.5041 10.9333 10.9334 10.9383 10.9384 k = 0.0000 0.0000 0.0000 ( 1989 PWs) bands (ev): -5.9007 -5.9007 -5.9007 -5.9007 -4.9373 -4.9373 -3.8952 -3.8952 -3.7171 -3.7171 -3.7171 -3.7171 5.2651 5.2651 6.3906 6.3906 6.5978 6.5978 6.5978 6.5978 9.5017 9.5017 10.9356 10.9356 10.9356 10.9356 k = 0.0000 0.0000 0.0000 ( 1989 PWs) bands (ev): -5.9007 -5.9007 -5.9007 -5.9007 -4.9373 -4.9373 -3.8952 -3.8952 -3.7171 -3.7171 -3.7171 -3.7171 5.2651 5.2651 6.3906 6.3906 6.5978 6.5978 6.5978 6.5978 9.5017 9.5017 10.9356 10.9356 10.9356 10.9356 k = 0.0111 0.0064 0.0045 ( 1989 PWs) bands (ev): -5.9013 -5.9009 -5.9009 -5.9001 -4.9363 -4.9363 -3.8949 -3.8949 -3.7180 -3.7170 -3.7170 -3.7159 5.2522 5.2522 6.3917 6.3917 6.5942 6.5986 6.6035 6.6035 9.5040 9.5040 10.9340 10.9340 10.9376 10.9378 k = 0.0222 0.0128 0.0091 ( 1968 PWs) bands (ev): -5.9018 -5.9015 -5.9015 -5.8995 -4.9332 -4.9332 -3.8939 -3.8939 -3.7188 -3.7166 -3.7166 -3.7145 5.2148 5.2148 6.3936 6.3936 6.5877 6.5965 6.6209 6.6209 9.5109 9.5109 10.9293 10.9293 10.9438 10.9443 k = 0.0333 0.0192 0.0136 ( 1959 PWs) bands (ev): -5.9025 -5.9025 -5.9022 -5.8988 -4.9280 -4.9280 -3.8923 -3.8923 -3.7193 -3.7161 -3.7161 -3.7130 5.1558 5.1558 6.3934 6.3934 6.5785 6.5916 6.6499 6.6499 9.5223 9.5223 10.9222 10.9222 10.9540 10.9548 k = 0.0444 0.0257 0.0181 ( 1959 PWs) bands (ev): -5.9038 -5.9038 -5.9027 -5.8981 -4.9209 -4.9209 -3.8900 -3.8900 -3.7197 -3.7153 -3.7153 -3.7112 5.0787 5.0787 6.3890 6.3890 6.5666 6.5839 6.6892 6.6893 9.5382 9.5382 10.9134 10.9134 10.9681 10.9693 k = 0.0556 0.0321 0.0227 ( 1959 PWs) bands (ev): -5.9056 -5.9056 -5.9031 -5.8974 -4.9118 -4.9118 -3.8871 -3.8871 -3.7198 -3.7143 -3.7143 -3.7094 4.9872 4.9872 6.3797 6.3797 6.5522 6.5736 6.7360 6.7360 9.5586 9.5586 10.9042 10.9042 10.9860 10.9877 k = 0.0667 0.0385 0.0272 ( 1965 PWs) bands (ev): -5.9076 -5.9076 -5.9034 -5.8967 -4.9009 -4.9009 -3.8836 -3.8836 -3.7198 -3.7129 -3.7129 -3.7073 4.8842 4.8842 6.3658 6.3658 6.5354 6.5606 6.7869 6.7869 9.5835 9.5835 10.8956 10.8956 11.0074 11.0096 k = 0.0778 0.0449 0.0318 ( 1971 PWs) bands (ev): -5.9100 -5.9100 -5.9037 -5.8960 -4.8881 -4.8881 -3.8794 -3.8794 -3.7195 -3.7110 -3.7110 -3.7051 4.7720 4.7720 6.3478 6.3478 6.5162 6.5452 6.8393 6.8393 9.6129 9.6129 10.8889 10.8889 11.0320 11.0349 k = 0.0889 0.0513 0.0363 ( 1971 PWs) bands (ev): -5.9127 -5.9127 -5.9040 -5.8952 -4.8738 -4.8738 -3.8747 -3.8747 -3.7190 -3.7087 -3.7087 -3.7028 4.6525 4.6525 6.3265 6.3265 6.4950 6.5275 6.8908 6.8908 9.6469 9.6469 10.8852 10.8852 11.0595 11.0633 k = 0.1000 0.0577 0.0408 ( 1977 PWs) bands (ev): -5.9156 -5.9156 -5.9042 -5.8945 -4.8578 -4.8578 -3.8695 -3.8695 -3.7183 -3.7056 -3.7056 -3.7003 4.5271 4.5271 6.3022 6.3022 6.4719 6.5076 6.9398 6.9398 9.6853 9.6853 10.8852 10.8852 11.0896 11.0943 k = 0.1111 0.0642 0.0454 ( 1977 PWs) bands (ev): -5.9187 -5.9187 -5.9043 -5.8937 -4.8405 -4.8405 -3.8639 -3.8639 -3.7174 -3.7018 -3.7018 -3.6977 4.3970 4.3970 6.2755 6.2755 6.4470 6.4858 6.9850 6.9850 9.7283 9.7283 10.8897 10.8897 11.1219 11.1277 k = 0.1222 0.0706 0.0499 ( 1983 PWs) bands (ev): -5.9220 -5.9220 -5.9044 -5.8930 -4.8218 -4.8218 -3.8579 -3.8579 -3.7164 -3.6970 -3.6970 -3.6950 4.2629 4.2629 6.2466 6.2466 6.4206 6.4622 7.0257 7.0257 9.7757 9.7757 10.8992 10.8992 11.1560 11.1630 k = 0.1333 0.0770 0.0544 ( 1982 PWs) bands (ev): -5.9254 -5.9254 -5.9045 -5.8922 -4.8021 -4.8021 -3.8517 -3.8517 -3.7150 -3.6922 -3.6909 -3.6909 4.1256 4.1256 6.2160 6.2160 6.3929 6.4370 7.0612 7.0612 9.8274 9.8274 10.9141 10.9141 11.1915 11.1998 k = 0.1444 0.0834 0.0590 ( 1982 PWs) bands (ev): -5.9290 -5.9290 -5.9045 -5.8915 -4.7814 -4.7814 -3.8455 -3.8455 -3.7135 -3.6893 -3.6832 -3.6832 3.9857 3.9857 6.1838 6.1838 6.3640 6.4104 7.0913 7.0913 9.8833 9.8833 10.9346 10.9346 11.2279 11.2376 k = 0.1556 0.0898 0.0635 ( 1988 PWs) bands (ev): -5.9326 -5.9326 -5.9044 -5.8907 -4.7600 -4.7600 -3.8394 -3.8394 -3.7119 -3.6864 -3.6738 -3.6738 3.8437 3.8437 6.1505 6.1505 6.3342 6.3826 7.1158 7.1158 9.9430 9.9430 10.9608 10.9608 11.2648 11.2759 k = 0.1667 0.0962 0.0680 ( 1976 PWs) bands (ev): -5.9363 -5.9363 -5.9043 -5.8900 -4.7379 -4.7379 -3.8336 -3.8336 -3.7100 -3.6833 -3.6623 -3.6623 3.7001 3.7001 6.1163 6.1163 6.3037 6.3537 7.1350 7.1350 10.0060 10.0061 10.9927 10.9927 11.3018 11.3142 k = 0.1778 0.1026 0.0726 ( 1976 PWs) bands (ev): -5.9401 -5.9401 -5.9042 -5.8893 -4.7155 -4.7155 -3.8283 -3.8283 -3.7079 -3.6803 -3.6483 -3.6483 3.5553 3.5553 6.0813 6.0813 6.2725 6.3240 7.1490 7.1490 10.0719 10.0719 11.0304 11.0304 11.3383 11.3522 k = 0.1889 0.1091 0.0771 ( 1970 PWs) bands (ev): -5.9439 -5.9439 -5.9040 -5.8887 -4.6929 -4.6929 -3.8236 -3.8236 -3.7057 -3.6771 -3.6318 -3.6318 3.4096 3.4096 6.0458 6.0458 6.2410 6.2937 7.1581 7.1581 10.1399 10.1399 11.0739 11.0739 11.3740 11.3892 k = 0.2000 0.1155 0.0816 ( 1976 PWs) bands (ev): -5.9477 -5.9477 -5.9037 -5.8880 -4.6703 -4.6703 -3.8195 -3.8195 -3.7033 -3.6740 -3.6124 -3.6124 3.2634 3.2634 6.0101 6.0101 6.2093 6.2628 7.1629 7.1629 10.2091 10.2091 11.1232 11.1232 11.4085 11.4249 k = 0.2111 0.1219 0.0862 ( 1973 PWs) bands (ev): -5.9515 -5.9515 -5.9035 -5.8874 -4.6478 -4.6478 -3.8160 -3.8160 -3.7008 -3.6709 -3.5902 -3.5902 3.1170 3.1171 5.9743 5.9743 6.1776 6.2317 7.1637 7.1637 10.2786 10.2786 11.1784 11.1784 11.4413 11.4588 k = 0.2222 0.1283 0.0907 ( 1967 PWs) bands (ev): -5.9552 -5.9552 -5.9031 -5.8868 -4.6257 -4.6257 -3.8132 -3.8132 -3.6981 -3.6678 -3.5649 -3.5649 2.9708 2.9709 5.9387 5.9387 6.1459 6.2004 7.1610 7.1610 10.3474 10.3474 11.2397 11.2397 11.4722 11.4905 k = 0.2333 0.1347 0.0953 ( 1967 PWs) bands (ev): -5.9589 -5.9589 -5.9027 -5.8863 -4.6042 -4.6042 -3.8109 -3.8109 -3.6954 -3.6647 -3.5367 -3.5367 2.8251 2.8251 5.9032 5.9032 6.1146 6.1691 7.1553 7.1553 10.4145 10.4145 11.3072 11.3072 11.5007 11.5198 k = 0.2444 0.1411 0.0998 ( 1973 PWs) bands (ev): -5.9625 -5.9625 -5.9023 -5.8858 -4.5833 -4.5833 -3.8091 -3.8091 -3.6925 -3.6616 -3.5055 -3.5055 2.6801 2.6801 5.8683 5.8683 6.0836 6.1379 7.1472 7.1472 10.4790 10.4790 11.3810 11.3810 11.5268 11.5463 k = 0.2556 0.1475 0.1043 ( 1973 PWs) bands (ev): -5.9661 -5.9661 -5.9019 -5.8854 -4.5632 -4.5632 -3.8077 -3.8077 -3.6895 -3.6586 -3.4714 -3.4714 2.5362 2.5362 5.8338 5.8338 6.0531 6.1071 7.1370 7.1370 10.5400 10.5400 11.4610 11.4610 11.5502 11.5699 k = 0.2667 0.1540 0.1089 ( 1973 PWs) bands (ev): -5.9696 -5.9696 -5.9014 -5.8850 -4.5440 -4.5440 -3.8066 -3.8066 -3.6865 -3.6557 -3.4345 -3.4345 2.3936 2.3936 5.8001 5.8001 6.0234 6.0766 7.1252 7.1252 10.5968 10.5968 11.5470 11.5470 11.5709 11.5906 k = 0.2778 0.1604 0.1134 ( 1976 PWs) bands (ev): -5.9730 -5.9730 -5.9009 -5.8846 -4.5258 -4.5258 -3.8059 -3.8059 -3.6833 -3.6528 -3.3950 -3.3950 2.2527 2.2527 5.7672 5.7672 5.9943 6.0467 7.1121 7.1121 10.6492 10.6492 11.5888 11.6082 11.6387 11.6387 k = 0.2889 0.1668 0.1179 ( 1979 PWs) bands (ev): -5.9762 -5.9762 -5.9003 -5.8843 -4.5086 -4.5086 -3.8054 -3.8054 -3.6802 -3.6501 -3.3529 -3.3529 2.1137 2.1138 5.7353 5.7353 5.9662 6.0175 7.0981 7.0981 10.6968 10.6968 11.6039 11.6228 11.7354 11.7354 k = 0.3000 0.1732 0.1225 ( 1979 PWs) bands (ev): -5.9794 -5.9794 -5.8997 -5.8841 -4.4925 -4.4925 -3.8051 -3.8051 -3.6770 -3.6475 -3.3085 -3.3085 1.9771 1.9771 5.7044 5.7044 5.9391 5.9890 7.0836 7.0836 10.7397 10.7397 11.6163 11.6346 11.8366 11.8366 k = 0.3111 0.1796 0.1270 ( 1979 PWs) bands (ev): -5.9824 -5.9824 -5.8991 -5.8839 -4.4775 -4.4775 -3.8049 -3.8049 -3.6737 -3.6449 -3.2620 -3.2620 1.8431 1.8431 5.6746 5.6746 5.9130 5.9614 7.0687 7.0687 10.7780 10.7780 11.6262 11.6436 11.9412 11.9412 k = 0.3222 0.1860 0.1315 ( 1982 PWs) bands (ev): -5.9853 -5.9853 -5.8985 -5.8837 -4.4636 -4.4636 -3.8049 -3.8049 -3.6705 -3.6426 -3.2138 -3.2138 1.7121 1.7121 5.6461 5.6461 5.8881 5.9348 7.0537 7.0537 10.8119 10.8119 11.6338 11.6502 12.0483 12.0483 k = 0.3333 0.1925 0.1361 ( 1994 PWs) bands (ev): -5.9881 -5.9881 -5.8979 -5.8836 -4.4508 -4.4508 -3.8050 -3.8050 -3.6673 -3.6404 -3.1640 -3.1640 1.5845 1.5845 5.6189 5.6189 5.8645 5.9092 7.0389 7.0389 10.8417 10.8417 11.6392 11.6546 12.1569 12.1569 k = 0.3444 0.1989 0.1406 ( 1982 PWs) bands (ev): -5.9906 -5.9906 -5.8972 -5.8835 -4.4390 -4.4390 -3.8051 -3.8051 -3.6641 -3.6383 -3.1132 -3.1132 1.4606 1.4607 5.5931 5.5931 5.8422 5.8847 7.0244 7.0244 10.8678 10.8678 11.6428 11.6571 12.2658 12.2658 k = 0.3556 0.2053 0.1452 ( 1976 PWs) bands (ev): -5.9931 -5.9931 -5.8965 -5.8835 -4.4283 -4.4283 -3.8053 -3.8053 -3.6609 -3.6364 -3.0616 -3.0616 1.3411 1.3411 5.5688 5.5688 5.8212 5.8615 7.0103 7.0103 10.8904 10.8904 11.6448 11.6579 12.3739 12.3739 k = 0.3667 0.2117 0.1497 ( 1967 PWs) bands (ev): -5.9954 -5.9954 -5.8958 -5.8836 -4.4185 -4.4185 -3.8055 -3.8055 -3.6578 -3.6347 -3.0098 -3.0098 1.2262 1.2262 5.5460 5.5460 5.8017 5.8396 6.9969 6.9969 10.9099 10.9099 11.6455 11.6574 12.4800 12.4800 k = 0.3778 0.2181 0.1542 ( 1967 PWs) bands (ev): -5.9975 -5.9975 -5.8951 -5.8837 -4.4098 -4.4097 -3.8057 -3.8057 -3.6549 -3.6332 -2.9583 -2.9583 1.1167 1.1167 5.5248 5.5248 5.7838 5.8190 6.9842 6.9842 10.9267 10.9267 11.6450 11.6558 12.5827 12.5827 k = 0.3889 0.2245 0.1588 ( 1964 PWs) bands (ev): -5.9994 -5.9994 -5.8944 -5.8838 -4.4019 -4.4019 -3.8060 -3.8060 -3.6519 -3.6319 -2.9077 -2.9077 1.0130 1.0130 5.5053 5.5053 5.7674 5.7998 6.9723 6.9723 10.9409 10.9409 11.6438 11.6533 12.6807 12.6807 k = 0.4000 0.2309 0.1633 ( 1949 PWs) bands (ev): -6.0012 -6.0012 -5.8937 -5.8840 -4.3949 -4.3949 -3.8062 -3.8062 -3.6491 -3.6308 -2.8585 -2.8585 0.9158 0.9158 5.4875 5.4875 5.7526 5.7822 6.9613 6.9613 10.9530 10.9530 11.6420 11.6504 12.7728 12.7728 k = 0.4111 0.2374 0.1678 ( 1955 PWs) bands (ev): -6.0028 -6.0028 -5.8930 -5.8843 -4.3887 -4.3887 -3.8064 -3.8064 -3.6465 -3.6300 -2.8114 -2.8114 0.8258 0.8258 5.4714 5.4714 5.7394 5.7660 6.9513 6.9513 10.9631 10.9631 11.6397 11.6470 12.8577 12.8577 k = 0.4222 0.2438 0.1724 ( 1955 PWs) bands (ev): -6.0043 -6.0043 -5.8923 -5.8846 -4.3834 -4.3834 -3.8066 -3.8066 -3.6440 -3.6293 -2.7673 -2.7673 0.7437 0.7437 5.4572 5.4572 5.7279 5.7514 6.9424 6.9424 10.9714 10.9714 11.6373 11.6435 12.9344 12.9344 k = 0.4333 0.2502 0.1769 ( 1955 PWs) bands (ev): -6.0055 -6.0055 -5.8916 -5.8849 -4.3788 -4.3788 -3.8068 -3.8068 -3.6416 -3.6289 -2.7268 -2.7268 0.6703 0.6703 5.4448 5.4448 5.7182 5.7385 6.9345 6.9345 10.9782 10.9782 11.6348 11.6401 13.0018 13.0018 k = 0.4444 0.2566 0.1814 ( 1955 PWs) bands (ev): -6.0066 -6.0066 -5.8909 -5.8853 -4.3750 -4.3750 -3.8070 -3.8070 -3.6394 -3.6287 -2.6908 -2.6908 0.6065 0.6065 5.4342 5.4342 5.7101 5.7272 6.9278 6.9278 10.9837 10.9837 11.6326 11.6369 13.0593 13.0593 k = 0.4556 0.2630 0.1860 ( 1955 PWs) bands (ev): -6.0074 -6.0074 -5.8902 -5.8857 -4.3719 -4.3719 -3.8072 -3.8072 -3.6374 -3.6288 -2.6600 -2.6600 0.5529 0.5529 5.4255 5.4255 5.7039 5.7176 6.9223 6.9223 10.9880 10.9880 11.6306 11.6340 13.1065 13.1065 k = 0.4667 0.2694 0.1905 ( 1964 PWs) bands (ev): -6.0082 -6.0082 -5.8896 -5.8862 -4.3695 -4.3695 -3.8073 -3.8073 -3.6356 -3.6291 -2.6351 -2.6351 0.5103 0.5103 5.4187 5.4187 5.6993 5.7097 6.9179 6.9179 10.9912 10.9912 11.6291 11.6316 13.1432 13.1432 k = 0.4778 0.2758 0.1951 ( 1958 PWs) bands (ev): -6.0086 -6.0086 -5.8889 -5.8866 -4.3678 -4.3678 -3.8074 -3.8074 -3.6340 -3.6296 -2.6169 -2.6169 0.4794 0.4794 5.4139 5.4139 5.6966 5.7035 6.9148 6.9148 10.9934 10.9934 11.6280 11.6297 13.1693 13.1693 k = 0.4889 0.2823 0.1996 ( 1958 PWs) bands (ev): -6.0089 -6.0089 -5.8883 -5.8872 -4.3668 -4.3668 -3.8074 -3.8074 -3.6325 -3.6304 -2.6057 -2.6057 0.4606 0.4606 5.4110 5.4110 5.6957 5.6991 6.9129 6.9129 10.9947 10.9947 11.6275 11.6284 13.1850 13.1850 k = 0.5000 0.2887 0.2041 ( 1946 PWs) bands (ev): -6.0090 -6.0090 -5.8877 -5.8877 -4.3664 -4.3664 -3.8074 -3.8074 -3.6313 -3.6313 -2.6019 -2.6019 0.4543 0.4543 5.4100 5.4100 5.6965 5.6965 6.9123 6.9123 10.9952 10.9952 11.6276 11.6276 13.1902 13.1902 k = 0.5000 0.2887 0.2041 ( 1946 PWs) bands (ev): -6.0090 -6.0090 -5.8877 -5.8877 -4.3664 -4.3664 -3.8074 -3.8074 -3.6313 -3.6313 -2.6019 -2.6019 0.4543 0.4543 5.4100 5.4100 5.6965 5.6965 6.9123 6.9123 10.9952 10.9952 11.6276 11.6276 13.1902 13.1902 k = 0.5039 0.2774 0.2105 ( 1956 PWs) bands (ev): -6.0141 -6.0040 -5.8876 -5.8876 -4.3810 -4.3515 -3.8089 -3.8057 -3.6314 -3.6314 -2.6079 -2.5944 0.4543 0.4547 5.3768 5.4276 5.6880 5.6894 6.9058 6.9469 10.9885 11.0016 11.6262 11.6264 13.1734 13.2076 k = 0.5078 0.2661 0.2169 ( 1970 PWs) bands (ev): -6.0194 -5.9993 -5.8873 -5.8872 -4.3953 -4.3365 -3.8100 -3.8037 -3.6315 -3.6315 -2.6123 -2.5854 0.4546 0.4555 5.3268 5.4305 5.6619 5.6717 6.9283 7.0054 10.9813 11.0078 11.6222 11.6237 13.1578 13.2248 k = 0.5117 0.2548 0.2233 ( 1974 PWs) bands (ev): -6.0247 -5.9948 -5.8867 -5.8864 -4.4092 -4.3214 -3.8108 -3.8014 -3.6318 -3.6317 -2.6150 -2.5749 0.4553 0.4565 5.2604 5.4177 5.6221 5.6489 6.9771 7.0823 10.9730 11.0132 11.6162 11.6211 13.1431 13.2407 k = 0.5156 0.2436 0.2296 ( 1974 PWs) bands (ev): -6.0300 -5.9906 -5.8859 -5.8852 -4.4227 -4.3062 -3.8112 -3.7989 -3.6321 -3.6320 -2.6160 -2.5629 0.4562 0.4578 5.1794 5.3857 5.5773 5.6241 7.0470 7.1722 10.9626 11.0171 11.6101 11.6208 13.1289 13.2537 k = 0.5195 0.2323 0.2360 ( 1972 PWs) bands (ev): -6.0352 -5.9868 -5.8849 -5.8836 -4.4356 -4.2912 -3.8113 -3.7962 -3.6326 -3.6323 -2.6153 -2.5496 0.4573 0.4594 5.0871 5.3308 5.5366 5.5986 7.1326 7.2710 10.9494 11.0181 11.6059 11.6249 13.1142 13.2627 k = 0.5234 0.2210 0.2424 ( 1973 PWs) bands (ev): -6.0404 -5.9833 -5.8838 -5.8816 -4.4479 -4.2763 -3.8110 -3.7932 -3.6331 -3.6327 -2.6128 -2.5349 0.4586 0.4610 4.9865 5.2552 5.5028 5.5723 7.2290 7.3752 10.9329 11.0149 11.6062 11.6352 13.0985 13.2667 k = 0.5273 0.2097 0.2488 ( 1975 PWs) bands (ev): -6.0455 -5.9803 -5.8826 -5.8793 -4.4596 -4.2616 -3.8103 -3.7902 -3.6338 -3.6331 -2.6085 -2.5189 0.4599 0.4626 4.8806 5.1655 5.4730 5.5451 7.3323 7.4823 10.9128 11.0066 11.6132 11.6533 13.0809 13.2651 k = 0.5312 0.1985 0.2552 ( 1977 PWs) bands (ev): -6.0504 -5.9777 -5.8813 -5.8765 -4.4706 -4.2474 -3.8091 -3.7869 -3.6346 -3.6335 -2.6023 -2.5016 0.4611 0.4641 4.7713 5.0676 5.4443 5.5167 7.4397 7.5902 10.8898 10.9929 11.6283 11.6797 13.0611 13.2580 k = 0.5352 0.1872 0.2615 ( 1973 PWs) bands (ev): -6.0552 -5.9755 -5.8799 -5.8735 -4.4809 -4.2335 -3.8076 -3.7836 -3.6354 -3.6340 -2.5942 -2.4830 0.4620 0.4653 4.6606 4.9655 5.4151 5.4869 7.5488 7.6973 10.8648 10.9743 11.6522 11.7147 13.0393 13.2457 k = 0.5391 0.1759 0.2679 ( 1975 PWs) bands (ev): -6.0599 -5.9738 -5.8784 -5.8701 -4.4904 -4.2202 -3.8057 -3.7801 -3.6364 -3.6344 -2.5841 -2.4632 0.4624 0.4660 4.5496 4.8616 5.3848 5.4557 7.6576 7.8021 10.8388 10.9519 11.6843 11.7579 13.0156 13.2290 k = 0.5430 0.1646 0.2743 ( 1979 PWs) bands (ev): -6.0643 -5.9724 -5.8770 -5.8666 -4.4992 -4.2075 -3.8034 -3.7766 -3.6374 -3.6348 -2.5720 -2.4421 0.4623 0.4661 4.4396 4.7576 5.3530 5.4231 7.7646 7.9034 10.8132 10.9275 11.7237 11.8087 12.9908 13.2087 k = 0.5469 0.1534 0.2807 ( 1979 PWs) bands (ev): -6.0686 -5.9713 -5.8754 -5.8629 -4.5072 -4.1954 -3.8007 -3.7731 -3.6386 -3.6351 -2.5580 -2.4199 0.4613 0.4654 4.3314 4.6547 5.3199 5.3893 7.8683 8.0000 10.7891 10.9026 11.7692 11.8664 12.9660 13.1860 k = 0.5508 0.1421 0.2870 ( 1979 PWs) bands (ev): -6.0727 -5.9705 -5.8739 -5.8592 -4.5143 -4.1841 -3.7976 -3.7696 -3.6398 -3.6354 -2.5420 -2.3966 0.4593 0.4636 4.2259 4.5541 5.2856 5.3543 7.9675 8.0907 10.7677 10.8786 11.8192 11.9303 12.9425 13.1621 k = 0.5547 0.1308 0.2934 ( 1982 PWs) bands (ev): -6.0765 -5.9700 -5.8724 -5.8554 -4.5207 -4.1735 -3.7942 -3.7661 -3.6410 -3.6357 -2.5241 -2.3722 0.4560 0.4605 4.1237 4.4563 5.2501 5.3184 8.0610 8.1747 10.7496 10.8567 11.8723 11.9996 12.9218 13.1385 k = 0.5586 0.1195 0.2998 ( 1982 PWs) bands (ev): -6.0801 -5.9698 -5.8708 -5.8517 -4.5262 -4.1637 -3.7905 -3.7627 -3.6423 -3.6358 -2.5042 -2.3467 0.4513 0.4560 4.0255 4.3623 5.2138 5.2817 8.1478 8.2510 10.7353 10.8376 11.9271 12.0737 12.9059 13.1166 k = 0.5625 0.1083 0.3062 ( 1980 PWs) bands (ev): -6.0835 -5.9697 -5.8693 -5.8480 -4.5309 -4.1548 -3.7866 -3.7594 -3.6437 -3.6358 -2.4825 -2.3203 0.4447 0.4498 3.9319 4.2725 5.1769 5.2445 8.2271 8.3191 10.7249 10.8217 11.9822 12.1518 12.8967 13.0979 k = 0.5664 0.0970 0.3126 ( 1978 PWs) bands (ev): -6.0867 -5.9698 -5.8678 -5.8445 -4.5348 -4.1467 -3.7824 -3.7562 -3.6451 -3.6358 -2.4590 -2.2930 0.4363 0.4418 3.8435 4.1877 5.1395 5.2069 8.2980 8.3785 10.7181 10.8085 12.0366 12.2331 12.8963 13.0839 k = 0.5703 0.0857 0.3189 ( 1973 PWs) bands (ev): -6.0896 -5.9701 -5.8664 -5.8412 -4.5378 -4.1394 -3.7780 -3.7532 -3.6465 -3.6356 -2.4339 -2.2649 0.4257 0.4317 3.7607 4.1082 5.1019 5.1691 8.3602 8.4291 10.7140 10.7976 12.0894 12.3171 12.9064 13.0763 k = 0.5742 0.0744 0.3253 ( 1969 PWs) bands (ev): -6.0923 -5.9705 -5.8650 -5.8381 -4.5401 -4.1330 -3.7734 -3.7503 -3.6480 -3.6353 -2.4073 -2.2361 0.4128 0.4194 3.6841 4.0345 5.0644 5.1313 8.4135 8.4710 10.7116 10.7876 12.1409 12.4030 12.9283 13.0767 k = 0.5781 0.0631 0.3317 ( 1966 PWs) bands (ev): -6.0948 -5.9710 -5.8636 -5.8353 -4.5417 -4.1273 -3.7688 -3.7477 -3.6494 -3.6349 -2.3794 -2.2068 0.3975 0.4048 3.6141 3.9670 5.0270 5.0938 8.4580 8.5046 10.7094 10.7769 12.1918 12.4899 12.9621 13.0866 k = 0.5820 0.0519 0.3381 ( 1968 PWs) bands (ev): -6.0970 -5.9716 -5.8623 -5.8327 -4.5425 -4.1225 -3.7641 -3.7452 -3.6509 -3.6343 -2.3504 -2.1772 0.3798 0.3880 3.5510 3.9061 4.9901 5.0567 8.4941 8.5304 10.7059 10.7638 12.2438 12.5774 13.0074 13.1073 k = 0.5859 0.0406 0.3445 ( 1964 PWs) bands (ev): -6.0990 -5.9722 -5.8611 -5.8305 -4.5427 -4.1185 -3.7594 -3.7429 -3.6524 -3.6336 -2.3205 -2.1474 0.3598 0.3691 3.4952 3.8521 4.9538 5.0202 8.5222 8.5492 10.6995 10.7466 12.2989 12.6647 13.0628 13.1398 k = 0.5898 0.0293 0.3508 ( 1962 PWs) bands (ev): -6.1007 -5.9730 -5.8599 -5.8284 -4.5422 -4.1151 -3.7547 -3.7409 -3.6539 -3.6329 -2.2902 -2.1178 0.3377 0.3480 3.4467 3.8050 4.9183 4.9845 8.5433 8.5619 10.6889 10.7237 12.3590 12.7513 13.1264 13.1845 k = 0.5938 0.0180 0.3572 ( 1962 PWs) bands (ev): -6.1023 -5.9738 -5.8588 -5.8267 -4.5411 -4.1125 -3.7501 -3.7391 -3.6554 -3.6320 -2.2597 -2.0886 0.3137 0.3253 3.4058 3.7651 4.8837 4.9498 8.5581 8.5694 10.6729 10.6942 12.4251 12.8369 13.1964 13.2410 k = 0.5977 0.0068 0.3636 ( 1972 PWs) bands (ev): -6.1036 -5.9747 -5.8578 -5.8253 -4.5395 -4.1106 -3.7457 -3.7375 -3.6569 -3.6311 -2.2295 -2.0601 0.2883 0.3011 3.3724 3.7325 4.8503 4.9162 8.5676 8.5725 10.6508 10.6575 12.4977 12.9212 13.2709 13.3081 k = 0.6016-0.0045 0.3700 ( 1974 PWs) bands (ev): -6.1046 -5.9756 -5.8569 -5.8242 -4.5373 -4.1092 -3.7413 -3.7361 -3.6585 -3.6302 -2.2001 -2.0327 0.2621 0.2761 3.3466 3.7069 4.8181 4.8839 8.5721 8.5726 10.6137 10.6223 12.5761 13.0041 13.3482 13.3843 k = 0.6055-0.0158 0.3764 ( 1973 PWs) bands (ev): -6.1054 -5.9766 -5.8561 -5.8233 -4.5347 -4.1085 -3.7371 -3.7349 -3.6600 -3.6292 -2.1720 -2.0070 0.2357 0.2509 3.3281 3.6885 4.7874 4.8530 8.5689 8.5740 10.5632 10.5874 12.6588 13.0848 13.4264 13.4670 k = 0.6094-0.0271 0.3827 ( 1969 PWs) bands (ev): -6.1060 -5.9776 -5.8553 -5.8227 -4.5317 -4.1084 -3.7339 -3.7330 -3.6615 -3.6282 -2.1458 -1.9835 0.2099 0.2261 3.3169 3.6769 4.7583 4.8237 8.5637 8.5726 10.5065 10.5464 12.7433 13.1625 13.5036 13.5529 k = 0.6133-0.0383 0.3891 ( 1965 PWs) bands (ev): -6.1063 -5.9787 -5.8546 -5.8223 -4.5283 -4.1088 -3.7330 -3.7291 -3.6630 -3.6273 -2.1221 -1.9627 0.1857 0.2027 3.3125 3.6720 4.7308 4.7960 8.5570 8.5689 10.4446 10.4998 12.8264 13.2358 13.5767 13.6370 k = 0.6172-0.0496 0.3955 ( 1960 PWs) bands (ev): -6.1065 -5.9797 -5.8540 -5.8221 -4.5247 -4.1098 -3.7322 -3.7255 -3.6645 -3.6264 -2.1018 -1.9452 0.1639 0.1815 3.3146 3.6735 4.7052 4.7702 8.5493 8.5638 10.3782 10.4482 12.9042 13.3030 13.6411 13.7115 k = 0.6211-0.0609 0.4019 ( 1952 PWs) bands (ev): -6.1063 -5.9808 -5.8535 -5.8222 -4.5207 -4.1112 -3.7316 -3.7220 -3.6661 -3.6256 -2.0854 -1.9317 0.1458 0.1635 3.3231 3.6810 4.6815 4.7463 8.5410 8.5576 10.3081 10.3924 12.9724 13.3621 13.6909 13.7663 k = 0.6250-0.0722 0.4082 ( 1954 PWs) bands (ev): -6.1060 -5.9820 -5.8531 -5.8224 -4.5166 -4.1132 -3.7312 -3.7188 -3.6676 -3.6250 -2.0737 -1.9228 0.1321 0.1497 3.3373 3.6942 4.6598 4.7245 8.5325 8.5507 10.2353 10.3329 13.0269 13.4108 13.7241 13.7947 k = 0.6250-0.0722 0.4082 ( 1954 PWs) bands (ev): -6.1060 -5.9820 -5.8531 -5.8224 -4.5166 -4.1132 -3.7312 -3.7188 -3.6676 -3.6250 -2.0737 -1.9228 0.1321 0.1497 3.3373 3.6942 4.6598 4.7245 8.5325 8.5507 10.2353 10.3329 13.0269 13.4108 13.7241 13.7947 k = 0.6184-0.0684 0.4190 ( 1952 PWs) bands (ev): -6.1061 -5.9819 -5.8530 -5.8224 -4.5169 -4.1128 -3.7312 -3.7188 -3.6676 -3.6250 -2.0732 -1.9222 0.1319 0.1494 3.3381 3.6952 4.6517 4.7233 8.5356 8.5619 10.2361 10.3340 13.0079 13.3954 13.7296 13.7799 k = 0.6118-0.0646 0.4297 ( 1952 PWs) bands (ev): -6.1064 -5.9816 -5.8528 -5.8225 -4.5178 -4.1117 -3.7312 -3.7190 -3.6674 -3.6252 -2.0716 -1.9203 0.1311 0.1485 3.3404 3.6981 4.6295 4.7181 8.5493 8.5904 10.2387 10.3371 12.9546 13.3541 13.7348 13.7385 k = 0.6053-0.0608 0.4405 ( 1956 PWs) bands (ev): -6.1069 -5.9810 -5.8525 -5.8225 -4.5192 -4.1099 -3.7312 -3.7193 -3.6672 -3.6256 -2.0690 -1.9172 0.1297 0.1470 3.3442 3.7029 4.5965 4.7066 8.5763 8.6325 10.2431 10.3425 12.8755 13.2941 13.6778 13.7261 k = 0.5987-0.0570 0.4512 ( 1964 PWs) bands (ev): -6.1076 -5.9804 -5.8521 -5.8227 -4.5211 -4.1075 -3.7312 -3.7197 -3.6669 -3.6260 -2.0654 -1.9129 0.1278 0.1450 3.3494 3.7097 4.5552 4.6877 8.6166 8.6860 10.2493 10.3503 12.7792 13.2197 13.6083 13.6993 k = 0.5921-0.0532 0.4620 ( 1962 PWs) bands (ev): -6.1084 -5.9795 -5.8516 -5.8228 -4.5235 -4.1045 -3.7313 -3.7201 -3.6665 -3.6266 -2.0609 -1.9075 0.1253 0.1423 3.3561 3.7183 4.5074 4.6614 8.6693 8.7493 10.2577 10.3609 12.6721 13.1340 13.5351 13.6586 k = 0.5855-0.0494 0.4727 ( 1962 PWs) bands (ev): -6.1093 -5.9786 -5.8509 -5.8229 -4.5261 -4.1011 -3.7314 -3.7206 -3.6660 -3.6273 -2.0554 -1.9011 0.1224 0.1391 3.3642 3.7288 4.4548 4.6284 8.7332 8.8202 10.2685 10.3747 12.5583 13.0400 13.4605 13.6079 k = 0.5789-0.0456 0.4835 ( 1964 PWs) bands (ev): -6.1103 -5.9775 -5.8502 -5.8231 -4.5291 -4.0974 -3.7316 -3.7210 -3.6654 -3.6281 -2.0492 -1.8938 0.1189 0.1353 3.3734 3.7411 4.3988 4.5897 8.8064 8.8969 10.2821 10.3921 12.4407 12.9406 13.3855 13.5500 k = 0.5724-0.0418 0.4942 ( 1963 PWs) bands (ev): -6.1114 -5.9764 -5.8494 -5.8233 -4.5321 -4.0934 -3.7318 -3.7214 -3.6647 -3.6290 -2.0422 -1.8857 0.1150 0.1309 3.3839 3.7551 4.3408 4.5463 8.8870 8.9770 10.2991 10.4138 12.3208 12.8383 13.3105 13.4872 k = 0.5658-0.0380 0.5049 ( 1957 PWs) bands (ev): -6.1125 -5.9754 -5.8485 -5.8234 -4.5353 -4.0893 -3.7321 -3.7218 -3.6638 -3.6299 -2.0346 -1.8770 0.1106 0.1260 3.3953 3.7708 4.2823 4.4994 8.9725 9.0582 10.3204 10.4404 12.1999 12.7353 13.2364 13.4213 k = 0.5592-0.0342 0.5157 ( 1957 PWs) bands (ev): -6.1136 -5.9743 -5.8477 -5.8236 -4.5384 -4.0853 -3.7326 -3.7221 -3.6629 -3.6310 -2.0266 -1.8679 0.1058 0.1206 3.4074 3.7880 4.2244 4.4501 9.0604 9.1381 10.3470 10.4725 12.0789 12.6332 13.1638 13.3540 k = 0.5526-0.0304 0.5264 ( 1964 PWs) bands (ev): -6.1146 -5.9733 -5.8468 -5.8238 -4.5415 -4.0813 -3.7331 -3.7223 -3.6620 -3.6321 -2.0183 -1.8585 0.1008 0.1148 3.4201 3.8064 4.1687 4.3995 9.1474 9.2145 10.3803 10.5104 11.9582 12.5338 13.0937 13.2867 k = 0.5461-0.0266 0.5372 ( 1964 PWs) bands (ev): -6.1156 -5.9724 -5.8459 -5.8240 -4.5443 -4.0776 -3.7336 -3.7224 -3.6609 -3.6333 -2.0098 -1.8491 0.0955 0.1087 3.4329 3.8258 4.1165 4.3487 9.2304 9.2852 10.4219 10.5542 11.8385 12.4384 13.0272 13.2207 k = 0.5395-0.0228 0.5479 ( 1958 PWs) bands (ev): -6.1165 -5.9715 -5.8451 -5.8241 -4.5469 -4.0742 -3.7341 -3.7225 -3.6598 -3.6345 -2.0015 -1.8399 0.0902 0.1025 3.4456 3.8454 4.0696 4.2985 9.3058 9.3486 10.4734 10.6031 11.7201 12.3490 12.9656 13.1574 k = 0.5329-0.0190 0.5587 ( 1958 PWs) bands (ev): -6.1174 -5.9708 -5.8444 -5.8242 -4.5492 -4.0712 -3.7346 -3.7226 -3.6586 -3.6357 -1.9936 -1.8312 0.0850 0.0964 3.4574 3.8638 4.0304 4.2499 9.3702 9.4039 10.5360 10.6554 11.6034 12.2673 12.9101 13.0979 k = 0.5263-0.0152 0.5694 ( 1962 PWs) bands (ev): -6.1181 -5.9702 -5.8438 -5.8243 -4.5511 -4.0686 -3.7350 -3.7226 -3.6575 -3.6368 -1.9864 -1.8233 0.0802 0.0906 3.4680 3.8779 4.0032 4.2037 9.4211 9.4505 10.6098 10.7082 11.4890 12.1957 12.8622 13.0438 k = 0.5197-0.0114 0.5801 ( 1964 PWs) bands (ev): -6.1186 -5.9697 -5.8433 -5.8243 -4.5527 -4.0666 -3.7354 -3.7226 -3.6565 -3.6378 -1.9801 -1.8166 0.0759 0.0854 3.4766 3.8831 3.9933 4.1605 9.4580 9.4877 10.6930 10.7578 11.3776 12.1368 12.8234 12.9967 k = 0.5132-0.0076 0.5909 ( 1966 PWs) bands (ev): -6.1191 -5.9694 -5.8429 -5.8243 -4.5538 -4.0651 -3.7357 -3.7226 -3.6556 -3.6387 -1.9752 -1.8113 0.0723 0.0811 3.4827 3.8792 4.0014 4.1214 9.4825 9.5141 10.7764 10.8048 11.2716 12.0933 12.7950 12.9586 k = 0.5066-0.0038 0.6016 ( 1964 PWs) bands (ev): -6.1193 -5.9692 -5.8427 -5.8243 -4.5545 -4.0642 -3.7358 -3.7226 -3.6550 -3.6392 -1.9720 -1.8079 0.0700 0.0783 3.4862 3.8734 4.0195 4.0881 9.4963 9.5294 10.8172 10.8769 11.1781 12.0672 12.7781 12.9327 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -6.1194 -5.9691 -5.8426 -5.8243 -4.5547 -4.0639 -3.7359 -3.7226 -3.6548 -3.6394 -1.9708 -1.8066 0.0691 0.0772 3.4872 3.8710 4.0331 4.0700 9.5006 9.5342 10.8274 10.9218 11.1308 12.0588 12.7726 12.9229 k = 0.5000-0.0000 0.6124 ( 1964 PWs) bands (ev): -6.1194 -5.9691 -5.8426 -5.8243 -4.5547 -4.0639 -3.7359 -3.7226 -3.6548 -3.6394 -1.9708 -1.8066 0.0691 0.0772 3.4872 3.8710 4.0331 4.0700 9.5006 9.5342 10.8274 10.9218 11.1308 12.0588 12.7726 12.9229 k = 0.5000 0.0078 0.6013 ( 1964 PWs) bands (ev): -6.1193 -5.9691 -5.8427 -5.8243 -4.5548 -4.0641 -3.7360 -3.7226 -3.6548 -3.6394 -1.9731 -1.8088 0.0712 0.0797 3.4838 3.8749 4.0098 4.0998 9.4975 9.5303 10.8275 10.9231 11.1302 12.0532 12.7767 12.9384 k = 0.5000 0.0156 0.5903 ( 1966 PWs) bands (ev): -6.1191 -5.9691 -5.8431 -5.8243 -4.5549 -4.0646 -3.7365 -3.7229 -3.6546 -3.6394 -1.9799 -1.8153 0.0776 0.0870 3.4743 3.8823 3.9860 4.1468 9.4884 9.5188 10.8271 10.9265 11.1291 12.0373 12.7913 12.9813 k = 0.5000 0.0234 0.5793 ( 1964 PWs) bands (ev): -6.1187 -5.9691 -5.8436 -5.8242 -4.5550 -4.0655 -3.7373 -3.7233 -3.6544 -3.6394 -1.9911 -1.8260 0.0881 0.0988 3.4610 3.8805 3.9849 4.1984 9.4733 9.4999 10.8255 10.9304 11.1305 12.0139 12.8198 13.0448 k = 0.5000 0.0312 0.5682 ( 1964 PWs) bands (ev): -6.1182 -5.9690 -5.8443 -5.8241 -4.5552 -4.0667 -3.7384 -3.7238 -3.6541 -3.6394 -2.0064 -1.8405 0.1025 0.1145 3.4462 3.8650 4.0100 4.2532 9.4524 9.4741 10.8209 10.9329 11.1379 11.9865 12.8631 13.1234 k = 0.5000 0.0390 0.5572 ( 1956 PWs) bands (ev): -6.1175 -5.9690 -5.8451 -5.8241 -4.5554 -4.0683 -3.7397 -3.7245 -3.6537 -3.6395 -2.0253 -1.8586 0.1203 0.1336 3.4322 3.8455 4.0503 4.3104 9.4260 9.4421 10.8115 10.9332 11.1539 11.9586 12.9203 13.2132 k = 0.5000 0.0468 0.5462 ( 1958 PWs) bands (ev): -6.1166 -5.9689 -5.8461 -5.8242 -4.5556 -4.0702 -3.7414 -3.7253 -3.6533 -3.6395 -2.0475 -1.8797 0.1412 0.1555 3.4204 3.8280 4.0989 4.3695 9.3935 9.4048 10.7964 10.9316 11.1793 11.9334 12.9895 13.3117 k = 0.5000 0.0546 0.5351 ( 1962 PWs) bands (ev): -6.1157 -5.9689 -5.8473 -5.8243 -4.5558 -4.0726 -3.7434 -3.7263 -3.6528 -3.6396 -2.0726 -1.9036 0.1644 0.1796 3.4122 3.8147 4.1527 4.4302 9.3536 9.3647 10.7759 10.9284 11.2131 11.9132 13.0685 13.4169 k = 0.5000 0.0624 0.5241 ( 1960 PWs) bands (ev): -6.1145 -5.9688 -5.8485 -5.8246 -4.5560 -4.0753 -3.7457 -3.7274 -3.6522 -3.6396 -2.0999 -1.9297 0.1893 0.2050 3.4085 3.8066 4.2101 4.4921 9.3057 9.3229 10.7516 10.9238 11.2535 11.8999 13.1555 13.5274 k = 0.5000 0.0702 0.5131 ( 1962 PWs) bands (ev): -6.1132 -5.9687 -5.8498 -5.8251 -4.5560 -4.0783 -3.7482 -3.7287 -3.6516 -3.6397 -2.1291 -1.9576 0.2153 0.2313 3.4102 3.8046 4.2702 4.5548 9.2520 9.2779 10.7254 10.9173 11.2989 11.8942 13.2481 13.6418 k = 0.5000 0.0780 0.5020 ( 1964 PWs) bands (ev): -6.1117 -5.9686 -5.8512 -5.8257 -4.5559 -4.0818 -3.7509 -3.7302 -3.6509 -3.6398 -2.1597 -1.9869 0.2418 0.2578 3.4178 3.8090 4.3322 4.6179 9.1934 9.2292 10.6992 10.9088 11.3481 11.8964 13.3439 13.7584 k = 0.5000 0.0858 0.4910 ( 1968 PWs) bands (ev): -6.1101 -5.9685 -5.8526 -5.8266 -4.5557 -4.0857 -3.7538 -3.7318 -3.6502 -3.6398 -2.1912 -2.0172 0.2682 0.2838 3.4317 3.8201 4.3955 4.6812 9.1303 9.1766 10.6745 10.8986 11.3997 11.9058 13.4387 13.8741 k = 0.5000 0.0936 0.4800 ( 1976 PWs) bands (ev): -6.1083 -5.9684 -5.8541 -5.8277 -4.5552 -4.0900 -3.7570 -3.7336 -3.6495 -3.6399 -2.2232 -2.0483 0.2939 0.3090 3.4525 3.8381 4.4598 4.7443 9.0631 9.1202 10.6523 10.8872 11.4528 11.9214 13.5232 13.9739 k = 0.5000 0.1014 0.4689 ( 1974 PWs) bands (ev): -6.1063 -5.9683 -5.8556 -5.8290 -4.5545 -4.0948 -3.7602 -3.7356 -3.6487 -3.6399 -2.2553 -2.0797 0.3185 0.3329 3.4803 3.8634 4.5245 4.8069 8.9921 9.0599 10.6335 10.8755 11.5063 11.9417 13.5728 13.9434 k = 0.5000 0.1092 0.4579 ( 1978 PWs) bands (ev): -6.1042 -5.9682 -5.8572 -5.8306 -4.5534 -4.1000 -3.7637 -3.7378 -3.6479 -3.6399 -2.2873 -2.1113 0.3415 0.3551 3.5153 3.8959 4.5894 4.8687 8.9172 8.9957 10.6187 10.8644 11.5592 11.9646 13.5484 13.9207 k = 0.5000 0.1170 0.4469 ( 1976 PWs) bands (ev): -6.1019 -5.9681 -5.8588 -5.8324 -4.5520 -4.1057 -3.7672 -3.7402 -3.6470 -3.6399 -2.3186 -2.1427 0.3627 0.3754 3.5576 3.9356 4.6541 4.9294 8.8388 8.9276 10.6084 10.8547 11.6103 11.9879 13.4631 13.9000 k = 0.5000 0.1248 0.4358 ( 1976 PWs) bands (ev): -6.0994 -5.9680 -5.8604 -5.8345 -4.5502 -4.1119 -3.7708 -3.7428 -3.6461 -3.6398 -2.3492 -2.1739 0.3819 0.3935 3.6072 3.9826 4.7183 4.9888 8.7568 8.8555 10.6028 10.8472 11.6584 12.0093 13.3598 13.8173 k = 0.5000 0.1326 0.4248 ( 1980 PWs) bands (ev): -6.0968 -5.9680 -5.8620 -5.8369 -4.5479 -4.1187 -3.7745 -3.7456 -3.6452 -3.6396 -2.3788 -2.2045 0.3989 0.4095 3.6641 4.0366 4.7816 5.0465 8.6714 8.7794 10.6020 10.8427 11.7020 12.0258 13.2588 13.7128 k = 0.5000 0.1404 0.4138 ( 1980 PWs) bands (ev): -6.0939 -5.9680 -5.8637 -5.8396 -4.5451 -4.1260 -3.7782 -3.7486 -3.6443 -3.6394 -2.4071 -2.2346 0.4136 0.4232 3.7280 4.0974 4.8439 5.1022 8.5827 8.6993 10.6062 10.8414 11.7397 12.0346 13.1689 13.6095 k = 0.5000 0.1482 0.4027 ( 1980 PWs) bands (ev): -6.0909 -5.9681 -5.8653 -5.8424 -4.5417 -4.1339 -3.7819 -3.7517 -3.6433 -3.6391 -2.4339 -2.2640 0.4261 0.4347 3.7986 4.1647 4.9049 5.1559 8.4908 8.6152 10.6153 10.8438 11.7697 12.0332 13.0947 13.5152 k = 0.5000 0.1560 0.3917 ( 1982 PWs) bands (ev): -6.0877 -5.9682 -5.8670 -5.8456 -4.5377 -4.1424 -3.7855 -3.7550 -3.6424 -3.6387 -2.4592 -2.2925 0.4365 0.4442 3.8757 4.2383 4.9642 5.2071 8.3958 8.5272 10.6290 10.8500 11.7904 12.0199 13.0386 13.4335 k = 0.5000 0.1638 0.3807 ( 1978 PWs) bands (ev): -6.0843 -5.9684 -5.8687 -5.8489 -4.5331 -4.1516 -3.7890 -3.7584 -3.6414 -3.6383 -2.4827 -2.3201 0.4448 0.4517 3.9588 4.3175 5.0218 5.2559 8.2978 8.4354 10.6472 10.8598 11.8003 11.9948 13.0012 13.3667 k = 0.5000 0.1716 0.3696 ( 1980 PWs) bands (ev): -6.0807 -5.9688 -5.8704 -5.8524 -4.5278 -4.1614 -3.7924 -3.7620 -3.6404 -3.6378 -2.5045 -2.3467 0.4512 0.4574 4.0475 4.4021 5.0774 5.3019 8.1969 8.3399 10.6695 10.8732 11.7986 11.9601 12.9807 13.3159 k = 0.5000 0.1794 0.3586 ( 1974 PWs) bands (ev): -6.0769 -5.9693 -5.8720 -5.8559 -4.5218 -4.1719 -3.7956 -3.7655 -3.6394 -3.6373 -2.5243 -2.3723 0.4560 0.4615 4.1413 4.4914 5.1308 5.3450 8.0934 8.2409 10.6953 10.8896 11.7854 11.9189 12.9742 13.2808 k = 0.5000 0.1872 0.3476 ( 1972 PWs) bands (ev): -6.0729 -5.9700 -5.8736 -5.8596 -4.5151 -4.1830 -3.7986 -3.7692 -3.6385 -3.6367 -2.5423 -2.3968 0.4592 0.4642 4.2396 4.5849 5.1820 5.3852 7.9874 8.1387 10.7242 10.9085 11.7621 11.8747 12.9782 13.2599 k = 0.5000 0.1951 0.3365 ( 1972 PWs) bands (ev): -6.0688 -5.9709 -5.8753 -5.8632 -4.5077 -4.1947 -3.8014 -3.7728 -3.6376 -3.6361 -2.5582 -2.4201 0.4612 0.4658 4.3418 4.6817 5.2306 5.4225 7.8794 8.0336 10.7552 10.9289 11.7318 11.8304 12.9897 13.2505 k = 0.5000 0.2029 0.3255 ( 1974 PWs) bands (ev): -6.0644 -5.9721 -5.8768 -5.8668 -4.4995 -4.2071 -3.8039 -3.7764 -3.6367 -3.6355 -2.5722 -2.4424 0.4622 0.4663 4.4471 4.7811 5.2768 5.4567 7.7698 7.9262 10.7875 10.9497 11.6986 11.7875 13.0058 13.2496 k = 0.5000 0.2107 0.3145 ( 1978 PWs) bands (ev): -6.0599 -5.9736 -5.8784 -5.8703 -4.4906 -4.2200 -3.8060 -3.7800 -3.6358 -3.6349 -2.5842 -2.4634 0.4624 0.4661 4.5548 4.8820 5.3204 5.4879 7.6591 7.8168 10.8201 10.9698 11.6667 11.7473 13.0246 13.2537 k = 0.5000 0.2185 0.3034 ( 1978 PWs) bands (ev): -6.0552 -5.9755 -5.8798 -5.8736 -4.4809 -4.2335 -3.8078 -3.7835 -3.6350 -3.6344 -2.5943 -2.4832 0.4619 0.4653 4.6640 4.9832 5.3617 5.5164 7.5483 7.7062 10.8518 10.9877 11.6396 11.7109 13.0443 13.2599 k = 0.5000 0.2263 0.2924 ( 1978 PWs) bands (ev): -6.0504 -5.9777 -5.8813 -5.8766 -4.4706 -4.2474 -3.8092 -3.7869 -3.6343 -3.6338 -2.6024 -2.5018 0.4610 0.4641 4.7734 5.0827 5.4009 5.5423 7.4384 7.5951 10.8815 11.0022 11.6194 11.6797 13.0637 13.2656 k = 0.5000 0.2341 0.2814 ( 1978 PWs) bands (ev): -6.0454 -5.9803 -5.8826 -5.8793 -4.4595 -4.2617 -3.8103 -3.7902 -3.6336 -3.6333 -2.6086 -2.5191 0.4599 0.4626 4.8817 5.1780 5.4391 5.5660 7.3308 7.4847 10.9078 11.0124 11.6071 11.6549 13.0821 13.2688 k = 0.5000 0.2419 0.2703 ( 1976 PWs) bands (ev): -6.0404 -5.9833 -5.8838 -5.8817 -4.4478 -4.2764 -3.8110 -3.7933 -3.6330 -3.6328 -2.6129 -2.5350 0.4586 0.4610 4.9871 5.2649 5.4779 5.5880 7.2277 7.3761 10.9302 11.0180 11.6024 11.6371 13.0990 13.2682 k = 0.5000 0.2497 0.2593 ( 1968 PWs) bands (ev): -6.0352 -5.9868 -5.8849 -5.8836 -4.4355 -4.2913 -3.8113 -3.7962 -3.6325 -3.6324 -2.6153 -2.5497 0.4573 0.4594 5.0874 5.3370 5.5206 5.6093 7.1316 7.2711 10.9483 11.0195 11.6038 11.6264 13.1144 13.2632 k = 0.5000 0.2575 0.2483 ( 1970 PWs) bands (ev): -6.0299 -5.9906 -5.8858 -5.8852 -4.4226 -4.3063 -3.8112 -3.7989 -3.6321 -3.6320 -2.6160 -2.5630 0.4562 0.4578 5.1796 5.3885 5.5690 5.6304 7.0464 7.1720 10.9622 11.0176 11.6090 11.6217 13.1290 13.2538 k = 0.5000 0.2653 0.2372 ( 1970 PWs) bands (ev): -6.0247 -5.9948 -5.8866 -5.8864 -4.4092 -4.3214 -3.8108 -3.8014 -3.6318 -3.6317 -2.6150 -2.5749 0.4553 0.4565 5.2606 5.4185 5.6189 5.6518 6.9768 7.0820 10.9729 11.0134 11.6158 11.6216 13.1432 13.2406 k = 0.5000 0.2731 0.2262 ( 1966 PWs) bands (ev): -6.0194 -5.9993 -5.8872 -5.8872 -4.3953 -4.3365 -3.8100 -3.8037 -3.6315 -3.6315 -2.6123 -2.5854 0.4546 0.4555 5.3270 5.4306 5.6611 5.6727 6.9282 7.0052 10.9813 11.0078 11.6221 11.6238 13.1578 13.2248 k = 0.5000 0.2809 0.2152 ( 1960 PWs) bands (ev): -6.0141 -6.0041 -5.8876 -5.8876 -4.3810 -4.3516 -3.8089 -3.8057 -3.6314 -3.6314 -2.6079 -2.5944 0.4543 0.4547 5.3768 5.4276 5.6879 5.6895 6.9058 6.9469 10.9885 11.0015 11.6262 11.6264 13.1735 13.2076 k = 0.5000 0.2887 0.2041 ( 1946 PWs) bands (ev): -6.0090 -6.0090 -5.8877 -5.8877 -4.3664 -4.3664 -3.8074 -3.8074 -3.6313 -3.6313 -2.6019 -2.6019 0.4543 0.4543 5.4100 5.4100 5.6965 5.6965 6.9123 6.9123 10.9952 10.9952 11.6276 11.6276 13.1902 13.1902 k = 0.5000 0.2887 0.2041 ( 1946 PWs) bands (ev): -6.0090 -6.0090 -5.8877 -5.8877 -4.3664 -4.3664 -3.8074 -3.8074 -3.6313 -3.6313 -2.6019 -2.6019 0.4543 0.4543 5.4100 5.4100 5.6965 5.6965 6.9123 6.9123 10.9952 10.9952 11.6276 11.6276 13.1902 13.1902 k = 0.4961 0.2864 0.2169 ( 1956 PWs) bands (ev): -6.0141 -6.0040 -5.8876 -5.8876 -4.3810 -4.3515 -3.8089 -3.8057 -3.6314 -3.6314 -2.6079 -2.5944 0.4543 0.4547 5.3768 5.4276 5.6880 5.6894 6.9058 6.9469 10.9885 11.0016 11.6262 11.6264 13.1734 13.2076 k = 0.4922 0.2842 0.2296 ( 1970 PWs) bands (ev): -6.0194 -5.9993 -5.8873 -5.8872 -4.3953 -4.3365 -3.8100 -3.8037 -3.6315 -3.6315 -2.6123 -2.5854 0.4546 0.4555 5.3268 5.4305 5.6619 5.6717 6.9283 7.0054 10.9813 11.0078 11.6222 11.6237 13.1578 13.2248 k = 0.4883 0.2819 0.2424 ( 1974 PWs) bands (ev): -6.0247 -5.9948 -5.8867 -5.8864 -4.4092 -4.3214 -3.8108 -3.8014 -3.6318 -3.6317 -2.6150 -2.5749 0.4553 0.4565 5.2604 5.4177 5.6221 5.6489 6.9771 7.0823 10.9730 11.0132 11.6162 11.6211 13.1431 13.2407 k = 0.4844 0.2797 0.2552 ( 1974 PWs) bands (ev): -6.0300 -5.9906 -5.8859 -5.8852 -4.4227 -4.3062 -3.8112 -3.7989 -3.6321 -3.6320 -2.6160 -2.5629 0.4562 0.4578 5.1794 5.3857 5.5773 5.6241 7.0470 7.1722 10.9626 11.0171 11.6101 11.6208 13.1289 13.2537 k = 0.4805 0.2774 0.2679 ( 1972 PWs) bands (ev): -6.0352 -5.9868 -5.8849 -5.8836 -4.4356 -4.2912 -3.8113 -3.7962 -3.6326 -3.6323 -2.6153 -2.5496 0.4573 0.4594 5.0871 5.3308 5.5366 5.5986 7.1326 7.2710 10.9494 11.0181 11.6059 11.6249 13.1142 13.2627 k = 0.4766 0.2751 0.2807 ( 1973 PWs) bands (ev): -6.0404 -5.9833 -5.8838 -5.8816 -4.4479 -4.2763 -3.8110 -3.7932 -3.6331 -3.6327 -2.6128 -2.5349 0.4586 0.4610 4.9865 5.2552 5.5028 5.5723 7.2290 7.3752 10.9329 11.0149 11.6062 11.6352 13.0985 13.2667 k = 0.4727 0.2729 0.2934 ( 1975 PWs) bands (ev): -6.0455 -5.9803 -5.8826 -5.8793 -4.4596 -4.2616 -3.8103 -3.7902 -3.6338 -3.6331 -2.6085 -2.5189 0.4599 0.4626 4.8806 5.1655 5.4730 5.5451 7.3323 7.4823 10.9128 11.0066 11.6132 11.6533 13.0809 13.2651 k = 0.4688 0.2706 0.3062 ( 1977 PWs) bands (ev): -6.0504 -5.9777 -5.8813 -5.8765 -4.4706 -4.2474 -3.8091 -3.7869 -3.6346 -3.6335 -2.6023 -2.5016 0.4611 0.4641 4.7713 5.0676 5.4443 5.5167 7.4397 7.5902 10.8898 10.9929 11.6283 11.6797 13.0611 13.2580 k = 0.4648 0.2684 0.3189 ( 1973 PWs) bands (ev): -6.0552 -5.9755 -5.8799 -5.8735 -4.4809 -4.2335 -3.8076 -3.7836 -3.6354 -3.6340 -2.5942 -2.4830 0.4620 0.4653 4.6606 4.9655 5.4151 5.4869 7.5488 7.6973 10.8648 10.9743 11.6522 11.7147 13.0393 13.2457 k = 0.4609 0.2661 0.3317 ( 1975 PWs) bands (ev): -6.0599 -5.9738 -5.8784 -5.8701 -4.4904 -4.2202 -3.8057 -3.7801 -3.6364 -3.6344 -2.5841 -2.4632 0.4624 0.4660 4.5496 4.8616 5.3848 5.4557 7.6576 7.8021 10.8388 10.9519 11.6843 11.7579 13.0156 13.2290 k = 0.4570 0.2639 0.3445 ( 1979 PWs) bands (ev): -6.0643 -5.9724 -5.8770 -5.8666 -4.4992 -4.2075 -3.8034 -3.7766 -3.6374 -3.6348 -2.5720 -2.4421 0.4623 0.4661 4.4396 4.7576 5.3530 5.4231 7.7646 7.9034 10.8132 10.9275 11.7237 11.8087 12.9908 13.2087 k = 0.4531 0.2616 0.3572 ( 1979 PWs) bands (ev): -6.0686 -5.9713 -5.8754 -5.8629 -4.5072 -4.1954 -3.8007 -3.7731 -3.6386 -3.6351 -2.5580 -2.4199 0.4613 0.4654 4.3314 4.6547 5.3199 5.3893 7.8683 8.0000 10.7891 10.9026 11.7692 11.8664 12.9660 13.1860 k = 0.4492 0.2594 0.3700 ( 1979 PWs) bands (ev): -6.0727 -5.9705 -5.8739 -5.8592 -4.5143 -4.1841 -3.7976 -3.7696 -3.6398 -3.6354 -2.5420 -2.3966 0.4593 0.4636 4.2259 4.5540 5.2856 5.3544 7.9675 8.0907 10.7677 10.8786 11.8192 11.9303 12.9425 13.1621 k = 0.4453 0.2571 0.3827 ( 1982 PWs) bands (ev): -6.0765 -5.9700 -5.8724 -5.8554 -4.5207 -4.1735 -3.7942 -3.7661 -3.6410 -3.6357 -2.5241 -2.3722 0.4560 0.4605 4.1237 4.4563 5.2501 5.3184 8.0610 8.1747 10.7496 10.8567 11.8723 11.9996 12.9218 13.1385 k = 0.4414 0.2548 0.3955 ( 1982 PWs) bands (ev): -6.0801 -5.9698 -5.8708 -5.8517 -4.5262 -4.1637 -3.7905 -3.7627 -3.6423 -3.6358 -2.5042 -2.3467 0.4513 0.4560 4.0255 4.3623 5.2138 5.2817 8.1478 8.2510 10.7353 10.8376 11.9271 12.0737 12.9059 13.1166 k = 0.4375 0.2526 0.4082 ( 1980 PWs) bands (ev): -6.0835 -5.9697 -5.8693 -5.8480 -4.5309 -4.1548 -3.7866 -3.7594 -3.6437 -3.6358 -2.4825 -2.3203 0.4447 0.4498 3.9319 4.2725 5.1769 5.2445 8.2271 8.3191 10.7249 10.8217 11.9822 12.1518 12.8967 13.0978 k = 0.4336 0.2503 0.4210 ( 1978 PWs) bands (ev): -6.0867 -5.9698 -5.8678 -5.8445 -4.5348 -4.1467 -3.7824 -3.7562 -3.6451 -3.6358 -2.4590 -2.2930 0.4363 0.4418 3.8435 4.1877 5.1395 5.2069 8.2980 8.3785 10.7181 10.8085 12.0365 12.2331 12.8963 13.0839 k = 0.4297 0.2481 0.4338 ( 1973 PWs) bands (ev): -6.0896 -5.9701 -5.8664 -5.8412 -4.5378 -4.1394 -3.7780 -3.7532 -3.6465 -3.6356 -2.4339 -2.2649 0.4256 0.4317 3.7607 4.1081 5.1019 5.1691 8.3602 8.4291 10.7140 10.7976 12.0894 12.3171 12.9064 13.0763 k = 0.4258 0.2458 0.4465 ( 1969 PWs) bands (ev): -6.0923 -5.9705 -5.8650 -5.8381 -4.5401 -4.1330 -3.7734 -3.7503 -3.6480 -3.6353 -2.4073 -2.2361 0.4128 0.4194 3.6841 4.0345 5.0644 5.1313 8.4135 8.4710 10.7116 10.7876 12.1409 12.4029 12.9283 13.0767 k = 0.4219 0.2436 0.4593 ( 1966 PWs) bands (ev): -6.0948 -5.9710 -5.8636 -5.8353 -4.5417 -4.1273 -3.7688 -3.7477 -3.6494 -3.6349 -2.3794 -2.2068 0.3975 0.4048 3.6141 3.9670 5.0270 5.0938 8.4580 8.5046 10.7094 10.7769 12.1918 12.4899 12.9621 13.0866 k = 0.4180 0.2413 0.4720 ( 1968 PWs) bands (ev): -6.0970 -5.9716 -5.8623 -5.8327 -4.5425 -4.1225 -3.7641 -3.7452 -3.6509 -3.6343 -2.3504 -2.1772 0.3798 0.3880 3.5510 3.9061 4.9901 5.0567 8.4941 8.5304 10.7059 10.7638 12.2438 12.5774 13.0074 13.1073 k = 0.4141 0.2391 0.4848 ( 1964 PWs) bands (ev): -6.0990 -5.9722 -5.8611 -5.8305 -4.5427 -4.1185 -3.7594 -3.7429 -3.6524 -3.6336 -2.3205 -2.1474 0.3598 0.3690 3.4952 3.8520 4.9538 5.0202 8.5222 8.5492 10.6995 10.7466 12.2989 12.6647 13.0628 13.1398 k = 0.4102 0.2368 0.4976 ( 1962 PWs) bands (ev): -6.1007 -5.9730 -5.8599 -5.8284 -4.5422 -4.1151 -3.7547 -3.7409 -3.6539 -3.6329 -2.2902 -2.1178 0.3377 0.3480 3.4467 3.8050 4.9183 4.9845 8.5433 8.5619 10.6889 10.7237 12.3590 12.7513 13.1264 13.1845 k = 0.4062 0.2345 0.5103 ( 1962 PWs) bands (ev): -6.1023 -5.9738 -5.8588 -5.8267 -4.5411 -4.1125 -3.7501 -3.7391 -3.6554 -3.6320 -2.2597 -2.0886 0.3137 0.3253 3.4058 3.7651 4.8837 4.9498 8.5582 8.5694 10.6729 10.6942 12.4251 12.8369 13.1964 13.2409 k = 0.4023 0.2323 0.5231 ( 1972 PWs) bands (ev): -6.1036 -5.9747 -5.8578 -5.8253 -4.5395 -4.1106 -3.7457 -3.7375 -3.6569 -3.6311 -2.2295 -2.0601 0.2883 0.3011 3.3724 3.7325 4.8503 4.9162 8.5676 8.5725 10.6508 10.6575 12.4977 12.9212 13.2709 13.3081 k = 0.3984 0.2300 0.5358 ( 1974 PWs) bands (ev): -6.1046 -5.9756 -5.8569 -5.8242 -4.5373 -4.1092 -3.7413 -3.7361 -3.6585 -3.6302 -2.2001 -2.0327 0.2621 0.2761 3.3466 3.7069 4.8181 4.8839 8.5721 8.5726 10.6137 10.6223 12.5761 13.0041 13.3482 13.3842 k = 0.3945 0.2278 0.5486 ( 1973 PWs) bands (ev): -6.1054 -5.9766 -5.8561 -5.8233 -4.5347 -4.1085 -3.7371 -3.7349 -3.6600 -3.6292 -2.1720 -2.0070 0.2357 0.2509 3.3281 3.6885 4.7874 4.8530 8.5689 8.5740 10.5632 10.5874 12.6588 13.0848 13.4264 13.4669 k = 0.3906 0.2255 0.5613 ( 1969 PWs) bands (ev): -6.1060 -5.9776 -5.8553 -5.8227 -4.5317 -4.1084 -3.7339 -3.7330 -3.6615 -3.6282 -2.1458 -1.9835 0.2099 0.2261 3.3169 3.6769 4.7583 4.8237 8.5637 8.5726 10.5065 10.5464 12.7433 13.1625 13.5036 13.5529 k = 0.3867 0.2233 0.5741 ( 1965 PWs) bands (ev): -6.1063 -5.9787 -5.8546 -5.8223 -4.5283 -4.1088 -3.7330 -3.7291 -3.6630 -3.6273 -2.1221 -1.9627 0.1857 0.2027 3.3125 3.6720 4.7308 4.7960 8.5570 8.5690 10.4446 10.4998 12.8264 13.2358 13.5767 13.6369 k = 0.3828 0.2210 0.5869 ( 1960 PWs) bands (ev): -6.1065 -5.9797 -5.8540 -5.8221 -4.5247 -4.1098 -3.7322 -3.7255 -3.6645 -3.6264 -2.1018 -1.9452 0.1639 0.1815 3.3146 3.6735 4.7052 4.7702 8.5493 8.5638 10.3782 10.4482 12.9042 13.3030 13.6411 13.7115 k = 0.3789 0.2188 0.5996 ( 1952 PWs) bands (ev): -6.1063 -5.9808 -5.8535 -5.8222 -4.5207 -4.1112 -3.7316 -3.7220 -3.6661 -3.6256 -2.0854 -1.9317 0.1458 0.1635 3.3231 3.6810 4.6815 4.7463 8.5410 8.5576 10.3081 10.3924 12.9724 13.3621 13.6909 13.7663 k = 0.3750 0.2165 0.6124 ( 1954 PWs) bands (ev): -6.1060 -5.9820 -5.8531 -5.8224 -4.5166 -4.1132 -3.7312 -3.7188 -3.6676 -3.6250 -2.0737 -1.9228 0.1321 0.1496 3.3373 3.6942 4.6598 4.7245 8.5325 8.5507 10.2353 10.3329 13.0269 13.4108 13.7241 13.7947 k = 0.6250-0.0722 0.4082 ( 1954 PWs) bands (ev): -6.1060 -5.9820 -5.8531 -5.8224 -4.5166 -4.1132 -3.7312 -3.7188 -3.6676 -3.6250 -2.0737 -1.9228 0.1321 0.1497 3.3373 3.6942 4.6598 4.7245 8.5325 8.5507 10.2353 10.3329 13.0269 13.4108 13.7241 13.7947 k = 0.6184-0.0836 0.4082 ( 1954 PWs) bands (ev): -6.1051 -5.9840 -5.8525 -5.8231 -4.5092 -4.1172 -3.7304 -3.7135 -3.6702 -3.6240 -2.0597 -1.9137 0.1151 0.1318 3.3685 3.7232 4.6259 4.6903 8.5181 8.5386 10.1079 10.2262 13.1045 13.4789 13.7727 13.8282 k = 0.6118-0.0950 0.4082 ( 1954 PWs) bands (ev): -6.1040 -5.9862 -5.8518 -5.8239 -4.5013 -4.1220 -3.7297 -3.7082 -3.6729 -3.6231 -2.0485 -1.9075 0.1007 0.1163 3.4046 3.7563 4.5938 4.6580 8.5032 8.5259 9.9761 10.1126 13.1816 13.5400 13.8296 13.8771 k = 0.6053-0.1064 0.4082 ( 1954 PWs) bands (ev): -6.1026 -5.9886 -5.8512 -5.8248 -4.4927 -4.1274 -3.7290 -3.7030 -3.6756 -3.6222 -2.0397 -1.9041 0.0886 0.1032 3.4453 3.7930 4.5636 4.6275 8.4882 8.5127 9.8415 9.9934 13.2590 13.5963 13.8941 13.9403 k = 0.5987-0.1177 0.4082 ( 1964 PWs) bands (ev): -6.1009 -5.9912 -5.8507 -5.8258 -4.4836 -4.1335 -3.7284 -3.6979 -3.6782 -3.6215 -2.0331 -1.9032 0.0787 0.0920 3.4901 3.8326 4.5355 4.5991 8.4730 8.4993 9.7057 9.8703 13.3375 13.6507 13.9646 14.0143 k = 0.5921-0.1291 0.4082 ( 1964 PWs) bands (ev): -6.0990 -5.9940 -5.8501 -5.8269 -4.4739 -4.1404 -3.7277 -3.6933 -3.6804 -3.6209 -2.0283 -1.9044 0.0705 0.0825 3.5384 3.8745 4.5097 4.5729 8.4579 8.4856 9.5705 9.7449 13.4175 13.7060 14.0394 14.0952 k = 0.5855-0.1405 0.4082 ( 1964 PWs) bands (ev): -6.0969 -5.9971 -5.8495 -5.8281 -4.4637 -4.1478 -3.7270 -3.6901 -3.6811 -3.6204 -2.0249 -1.9075 0.0638 0.0745 3.5897 3.9178 4.4864 4.5490 8.4428 8.4719 9.4372 9.6186 13.4994 13.7637 14.1166 14.1797 k = 0.5789-0.1519 0.4082 ( 1972 PWs) bands (ev): -6.0945 -6.0003 -5.8490 -5.8293 -4.4529 -4.1560 -3.7263 -3.6902 -3.6787 -3.6200 -2.0227 -1.9121 0.0584 0.0678 3.6433 3.9613 4.4662 4.5275 8.4278 8.4580 9.3076 9.4931 13.5832 13.8245 14.1943 14.2653 k = 0.5724-0.1633 0.4082 ( 1976 PWs) bands (ev): -6.0919 -6.0038 -5.8484 -5.8305 -4.4416 -4.1649 -3.7257 -3.6920 -3.6745 -3.6198 -2.0214 -1.9180 0.0540 0.0622 3.6983 4.0039 4.4493 4.5087 8.4129 8.4439 9.1831 9.3699 13.6688 13.8883 14.2708 14.3499 k = 0.5658-0.1747 0.4082 ( 1976 PWs) bands (ev): -6.0890 -6.0074 -5.8479 -5.8317 -4.4298 -4.1743 -3.7249 -3.6944 -3.6698 -3.6198 -2.0205 -1.9248 0.0505 0.0575 3.7539 4.0440 4.4365 4.4928 8.3981 8.4294 9.0654 9.2505 13.7560 13.9549 14.3445 14.4313 k = 0.5592-0.1861 0.4082 ( 1982 PWs) bands (ev): -6.0859 -6.0112 -5.8474 -5.8329 -4.4176 -4.1844 -3.7242 -3.6969 -3.6651 -3.6199 -2.0200 -1.9324 0.0476 0.0536 3.8088 4.0799 4.4285 4.4800 8.3832 8.4143 8.9564 9.1365 13.8443 14.0234 14.4133 14.5073 k = 0.5526-0.1975 0.4082 ( 1982 PWs) bands (ev): -6.0826 -6.0152 -5.8468 -5.8341 -4.4050 -4.1951 -3.7234 -3.6993 -3.6605 -3.6202 -2.0196 -1.9405 0.0454 0.0504 3.8621 4.1098 4.4260 4.4704 8.3682 8.3981 8.8578 9.0294 13.9334 14.0932 14.4756 14.5752 k = 0.5461-0.2089 0.4082 ( 1982 PWs) bands (ev): -6.0792 -6.0193 -5.8462 -5.8352 -4.3921 -4.2063 -3.7226 -3.7016 -3.6561 -3.6208 -2.0190 -1.9488 0.0436 0.0477 3.9125 4.1324 4.4293 4.4643 8.3528 8.3802 8.7718 8.9309 14.0226 14.1633 14.5293 14.6321 k = 0.5395-0.2203 0.4082 ( 1982 PWs) bands (ev): -6.0755 -6.0236 -5.8457 -5.8363 -4.3788 -4.2180 -3.7217 -3.7039 -3.6519 -3.6215 -2.0180 -1.9572 0.0422 0.0456 3.9590 4.1473 4.4375 4.4617 8.3369 8.3602 8.7001 8.8424 14.1112 14.2328 14.5728 14.6751 k = 0.5329-0.2317 0.4082 ( 1986 PWs) bands (ev): -6.0716 -6.0280 -5.8451 -5.8373 -4.3654 -4.2302 -3.7208 -3.7060 -3.6479 -3.6226 -2.0167 -1.9654 0.0411 0.0438 4.0006 4.1551 4.4491 4.4625 8.3206 8.3380 8.6441 8.7655 14.1986 14.3006 14.6046 14.7016 k = 0.5263-0.2431 0.4082 ( 1982 PWs) bands (ev): -6.0676 -6.0324 -5.8445 -5.8383 -4.3517 -4.2428 -3.7198 -3.7080 -3.6441 -3.6238 -2.0147 -1.9733 0.0403 0.0424 4.0366 4.1572 4.4615 4.4661 8.3041 8.3148 8.6038 8.7010 14.2837 14.3656 14.6236 14.7101 k = 0.5197-0.2545 0.4082 ( 1982 PWs) bands (ev): -6.0635 -6.0369 -5.8438 -5.8392 -4.3379 -4.2558 -3.7187 -3.7099 -3.6406 -3.6254 -2.0121 -1.9808 0.0398 0.0413 4.0669 4.1547 4.4716 4.4727 8.2882 8.2931 8.5777 8.6496 14.3654 14.4264 14.6295 14.7005 k = 0.5132-0.2659 0.4082 ( 1976 PWs) bands (ev): -6.0592 -6.0414 -5.8431 -5.8401 -4.3240 -4.2691 -3.7175 -3.7117 -3.6373 -3.6272 -2.0087 -1.9878 0.0395 0.0404 4.0917 4.1487 4.4777 4.4810 8.2745 8.2757 8.5639 8.6108 14.4425 14.4816 14.6227 14.6742 k = 0.5066-0.2773 0.4082 ( 1964 PWs) bands (ev): -6.0548 -6.0459 -5.8424 -5.8409 -4.3101 -4.2826 -3.7162 -3.7133 -3.6343 -3.6292 -2.0046 -1.9941 0.0394 0.0398 4.1117 4.1396 4.4830 4.4854 8.2647 8.2649 8.5608 8.5837 14.5129 14.5295 14.6043 14.6338 k = 0.5000-0.2887 0.4082 ( 1964 PWs) bands (ev): -6.0504 -6.0504 -5.8417 -5.8417 -4.2963 -4.2963 -3.7148 -3.7148 -3.6316 -3.6316 -1.9997 -1.9997 0.0395 0.0395 4.1274 4.1274 4.4859 4.4859 8.2612 8.2612 8.5673 8.5673 14.5611 14.5611 14.5890 14.5890 Writing output data file TlP.save init_run : 2.08s CPU 13.06s WALL ( 1 calls) electrons : 153.65s CPU 158.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 1.35s WALL ( 1 calls) Called by electrons: c_bands : 153.61s CPU 158.43s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.82s WALL ( 1 calls) v_h : 0.06s CPU 0.14s WALL ( 1 calls) v_xc : 0.09s CPU 0.41s WALL ( 1 calls) newd : 0.09s CPU 0.38s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 346 calls) cegterg : 115.34s CPU 116.05s WALL ( 510 calls) Called by sum_band: Called by *egterg: h_psi : 61.12s CPU 64.68s WALL ( 8103 calls) s_psi : 2.89s CPU 3.55s WALL ( 8103 calls) g_psi : 0.08s CPU 0.17s WALL ( 7247 calls) cdiaghg : 35.93s CPU 34.80s WALL ( 7593 calls) cegterg:over : 10.25s CPU 8.40s WALL ( 7247 calls) cegterg:upda : 0.40s CPU 1.46s WALL ( 7247 calls) cegterg:last : 0.48s CPU 1.05s WALL ( 1564 calls) Called by h_psi: h_psi:vloc : 53.72s CPU 57.18s WALL ( 8103 calls) h_psi:vnl : 7.37s CPU 7.30s WALL ( 8103 calls) add_vuspsi : 1.03s CPU 2.45s WALL ( 8103 calls) General routines calbec : 6.32s CPU 4.80s WALL ( 8103 calls) fft : 0.36s CPU 0.90s WALL ( 19 calls) ffts : 0.00s CPU 0.10s WALL ( 4 calls) fftw : 51.92s CPU 54.73s WALL ( 528088 calls) interpolate : 0.02s CPU 0.12s WALL ( 4 calls) davcio : 0.04s CPU 2.33s WALL ( 692 calls) Parallel routines fft_scatter : 35.63s CPU 38.16s WALL ( 528111 calls) PWSCF : 3m 3.69s CPU 4m15.77s WALL This run was terminated on: 13: 8:22 27Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=