Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:26:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ScNiSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 25 7 1419 503 79 Max 52 26 8 1421 523 84 Sum 1813 925 265 51109 18499 2891 bravais-lattice index = 14 lattice parameter (alat) = 8.0909 a.u. unit-cell volume = 374.5234 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.090921 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 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. # 3 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Ni 10.00 58.69340 Ni( 1.00) Sc 11.00 44.95590 Sc( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 347 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0096154 -0.0055514 0.0078509), wk = 0.0028818 k( 3) = ( 0.0192308 -0.0111029 0.0157019), wk = 0.0028818 k( 4) = ( 0.0288462 -0.0166543 0.0235528), wk = 0.0028818 k( 5) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0028818 k( 6) = ( 0.0480769 -0.0277572 0.0392546), wk = 0.0028818 k( 7) = ( 0.0576923 -0.0333087 0.0471056), wk = 0.0028818 k( 8) = ( 0.0673077 -0.0388601 0.0549565), wk = 0.0028818 k( 9) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0028818 k( 10) = ( 0.0865385 -0.0499630 0.0706584), wk = 0.0028818 k( 11) = ( 0.0961538 -0.0555145 0.0785093), wk = 0.0028818 k( 12) = ( 0.1057692 -0.0610659 0.0863602), wk = 0.0028818 k( 13) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0028818 k( 14) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0028818 k( 15) = ( 0.1346154 -0.0777202 0.1099130), wk = 0.0028818 k( 16) = ( 0.1442308 -0.0832717 0.1177639), wk = 0.0028818 k( 17) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0028818 k( 18) = ( 0.1634615 -0.0943746 0.1334658), wk = 0.0028818 k( 19) = ( 0.1730769 -0.0999260 0.1413167), wk = 0.0028818 k( 20) = ( 0.1826923 -0.1054775 0.1491676), wk = 0.0028818 k( 21) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0028818 k( 22) = ( 0.2019231 -0.1165803 0.1648695), wk = 0.0028818 k( 23) = ( 0.2115385 -0.1221318 0.1727204), wk = 0.0028818 k( 24) = ( 0.2211539 -0.1276832 0.1805714), wk = 0.0028818 k( 25) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0028818 k( 26) = ( 0.2403846 -0.1387861 0.1962732), wk = 0.0028818 k( 27) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028818 k( 28) = ( 0.2596154 -0.1498890 0.2119751), wk = 0.0028818 k( 29) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0028818 k( 30) = ( 0.2788462 -0.1609919 0.2276769), wk = 0.0028818 k( 31) = ( 0.2884615 -0.1665433 0.2355279), wk = 0.0028818 k( 32) = ( 0.2980769 -0.1720948 0.2433788), wk = 0.0028818 k( 33) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0028818 k( 34) = ( 0.3173077 -0.1831977 0.2590806), wk = 0.0028818 k( 35) = ( 0.3269231 -0.1887491 0.2669316), wk = 0.0028818 k( 36) = ( 0.3365385 -0.1943006 0.2747825), wk = 0.0028818 k( 37) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0028818 k( 38) = ( 0.3557692 -0.2054035 0.2904844), wk = 0.0028818 k( 39) = ( 0.3653846 -0.2109549 0.2983353), wk = 0.0028818 k( 40) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0028818 k( 41) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0028818 k( 42) = ( 0.3942308 -0.2276092 0.3218881), wk = 0.0028818 k( 43) = ( 0.4038462 -0.2331607 0.3297390), wk = 0.0028818 k( 44) = ( 0.4134615 -0.2387121 0.3375899), wk = 0.0028818 k( 45) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0028818 k( 46) = ( 0.4326923 -0.2498150 0.3532918), wk = 0.0028818 k( 47) = ( 0.4423077 -0.2553665 0.3611427), wk = 0.0028818 k( 48) = ( 0.4519231 -0.2609179 0.3689936), wk = 0.0028818 k( 49) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0028818 k( 50) = ( 0.4711538 -0.2720208 0.3846955), wk = 0.0028818 k( 51) = ( 0.4807692 -0.2775722 0.3925464), wk = 0.0028818 k( 52) = ( 0.4903846 -0.2831237 0.4003974), wk = 0.0028818 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028818 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028818 k( 55) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0028818 k( 56) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0028818 k( 57) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0028818 k( 58) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0028818 k( 59) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0028818 k( 60) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0028818 k( 61) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0028818 k( 62) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0028818 k( 63) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0028818 k( 64) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0028818 k( 65) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0028818 k( 66) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0028818 k( 67) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0028818 k( 68) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0028818 k( 69) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0028818 k( 70) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0028818 k( 71) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0028818 k( 72) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0028818 k( 73) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0028818 k( 74) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0028818 k( 75) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0028818 k( 76) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0028818 k( 77) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0028818 k( 78) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0028818 k( 79) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0028818 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028818 k( 81) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028818 k( 82) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028818 k( 83) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028818 k( 84) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028818 k( 85) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028818 k( 86) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028818 k( 87) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028818 k( 88) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028818 k( 89) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028818 k( 90) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028818 k( 91) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028818 k( 92) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028818 k( 93) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028818 k( 94) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028818 k( 95) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028818 k( 96) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028818 k( 97) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028818 k( 98) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028818 k( 99) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028818 k( 100) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028818 k( 101) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028818 k( 102) = ( 0.3683036 0.2126402 0.6014372), wk = 0.0028818 k( 103) = ( 0.3616071 0.2087740 0.5905020), wk = 0.0028818 k( 104) = ( 0.3549107 0.2049078 0.5795668), wk = 0.0028818 k( 105) = ( 0.3482143 0.2010416 0.5686315), wk = 0.0028818 k( 106) = ( 0.3415179 0.1971754 0.5576963), wk = 0.0028818 k( 107) = ( 0.3348214 0.1933092 0.5467611), wk = 0.0028818 k( 108) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0028818 k( 109) = ( 0.3214286 0.1855769 0.5248907), wk = 0.0028818 k( 110) = ( 0.3147321 0.1817107 0.5139554), wk = 0.0028818 k( 111) = ( 0.3080357 0.1778445 0.5030202), wk = 0.0028818 k( 112) = ( 0.3013393 0.1739783 0.4920850), wk = 0.0028818 k( 113) = ( 0.2946429 0.1701121 0.4811498), wk = 0.0028818 k( 114) = ( 0.2879464 0.1662459 0.4702146), wk = 0.0028818 k( 115) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0028818 k( 116) = ( 0.2745536 0.1585136 0.4483441), wk = 0.0028818 k( 117) = ( 0.2678571 0.1546474 0.4374089), wk = 0.0028818 k( 118) = ( 0.2611607 0.1507812 0.4264737), wk = 0.0028818 k( 119) = ( 0.2544643 0.1469150 0.4155384), wk = 0.0028818 k( 120) = ( 0.2477679 0.1430488 0.4046032), wk = 0.0028818 k( 121) = ( 0.2410714 0.1391827 0.3936680), wk = 0.0028818 k( 122) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0028818 k( 123) = ( 0.2276786 0.1314503 0.3717975), wk = 0.0028818 k( 124) = ( 0.2209821 0.1275841 0.3608623), wk = 0.0028818 k( 125) = ( 0.2142857 0.1237179 0.3499271), wk = 0.0028818 k( 126) = ( 0.2075893 0.1198517 0.3389919), wk = 0.0028818 k( 127) = ( 0.2008929 0.1159855 0.3280567), wk = 0.0028818 k( 128) = ( 0.1941964 0.1121194 0.3171214), wk = 0.0028818 k( 129) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0028818 k( 130) = ( 0.1808036 0.1043870 0.2952510), wk = 0.0028818 k( 131) = ( 0.1741071 0.1005208 0.2843158), wk = 0.0028818 k( 132) = ( 0.1674107 0.0966546 0.2733806), wk = 0.0028818 k( 133) = ( 0.1607143 0.0927884 0.2624453), wk = 0.0028818 k( 134) = ( 0.1540179 0.0889223 0.2515101), wk = 0.0028818 k( 135) = ( 0.1473214 0.0850561 0.2405749), wk = 0.0028818 k( 136) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0028818 k( 137) = ( 0.1339286 0.0773237 0.2187044), wk = 0.0028818 k( 138) = ( 0.1272321 0.0734575 0.2077692), wk = 0.0028818 k( 139) = ( 0.1205357 0.0695913 0.1968340), wk = 0.0028818 k( 140) = ( 0.1138393 0.0657251 0.1858988), wk = 0.0028818 k( 141) = ( 0.1071429 0.0618590 0.1749635), wk = 0.0028818 k( 142) = ( 0.1004464 0.0579928 0.1640283), wk = 0.0028818 k( 143) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0028818 k( 144) = ( 0.0870536 0.0502604 0.1421579), wk = 0.0028818 k( 145) = ( 0.0803571 0.0463942 0.1312227), wk = 0.0028818 k( 146) = ( 0.0736607 0.0425280 0.1202874), wk = 0.0028818 k( 147) = ( 0.0669643 0.0386619 0.1093522), wk = 0.0028818 k( 148) = ( 0.0602679 0.0347957 0.0984170), wk = 0.0028818 k( 149) = ( 0.0535714 0.0309295 0.0874818), wk = 0.0028818 k( 150) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0028818 k( 151) = ( 0.0401786 0.0231971 0.0656113), wk = 0.0028818 k( 152) = ( 0.0334821 0.0193309 0.0546761), wk = 0.0028818 k( 153) = ( 0.0267857 0.0154647 0.0437409), wk = 0.0028818 k( 154) = ( 0.0200893 0.0115986 0.0328057), wk = 0.0028818 k( 155) = ( 0.0133929 0.0077324 0.0218704), wk = 0.0028818 k( 156) = ( 0.0066964 0.0038662 0.0109352), wk = 0.0028818 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 159) = ( 0.0111111 0.0064150 0.0045361), wk = 0.0028818 k( 160) = ( 0.0222222 0.0128300 0.0090722), wk = 0.0028818 k( 161) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0028818 k( 162) = ( 0.0444444 0.0256600 0.0181444), wk = 0.0028818 k( 163) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0028818 k( 164) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0028818 k( 165) = ( 0.0777778 0.0449050 0.0317526), wk = 0.0028818 k( 166) = ( 0.0888889 0.0513200 0.0362887), wk = 0.0028818 k( 167) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0028818 k( 168) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0028818 k( 169) = ( 0.1222222 0.0705650 0.0498970), wk = 0.0028818 k( 170) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0028818 k( 171) = ( 0.1444444 0.0833950 0.0589692), wk = 0.0028818 k( 172) = ( 0.1555556 0.0898100 0.0635053), wk = 0.0028818 k( 173) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0028818 k( 174) = ( 0.1777778 0.1026400 0.0725775), wk = 0.0028818 k( 175) = ( 0.1888889 0.1090551 0.0771136), wk = 0.0028818 k( 176) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0028818 k( 177) = ( 0.2111111 0.1218851 0.0861857), wk = 0.0028818 k( 178) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0028818 k( 179) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0028818 k( 180) = ( 0.2444444 0.1411301 0.0997940), wk = 0.0028818 k( 181) = ( 0.2555556 0.1475451 0.1043301), wk = 0.0028818 k( 182) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0028818 k( 183) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0028818 k( 184) = ( 0.2888889 0.1667901 0.1179384), wk = 0.0028818 k( 185) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0028818 k( 186) = ( 0.3111111 0.1796201 0.1270106), wk = 0.0028818 k( 187) = ( 0.3222222 0.1860351 0.1315467), wk = 0.0028818 k( 188) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0028818 k( 189) = ( 0.3444444 0.1988651 0.1406189), wk = 0.0028818 k( 190) = ( 0.3555556 0.2052801 0.1451549), wk = 0.0028818 k( 191) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0028818 k( 192) = ( 0.3777778 0.2181101 0.1542271), wk = 0.0028818 k( 193) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0028818 k( 194) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0028818 k( 195) = ( 0.4111111 0.2373551 0.1678354), wk = 0.0028818 k( 196) = ( 0.4222222 0.2437701 0.1723715), wk = 0.0028818 k( 197) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0028818 k( 198) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0028818 k( 199) = ( 0.4555556 0.2630151 0.1859798), wk = 0.0028818 k( 200) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0028818 k( 201) = ( 0.4777778 0.2758451 0.1950520), wk = 0.0028818 k( 202) = ( 0.4888889 0.2822601 0.1995881), wk = 0.0028818 k( 203) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028818 k( 204) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028818 k( 205) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028818 k( 206) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028818 k( 207) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028818 k( 208) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028818 k( 209) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028818 k( 210) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028818 k( 211) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028818 k( 212) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028818 k( 213) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028818 k( 214) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028818 k( 215) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028818 k( 216) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028818 k( 217) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028818 k( 218) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028818 k( 219) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028818 k( 220) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028818 k( 221) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028818 k( 222) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028818 k( 223) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028818 k( 224) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028818 k( 225) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028818 k( 226) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028818 k( 227) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028818 k( 228) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028818 k( 229) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028818 k( 230) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028818 k( 231) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028818 k( 232) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028818 k( 233) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028818 k( 234) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028818 k( 235) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028818 k( 236) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028818 k( 237) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028818 k( 238) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028818 k( 239) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028818 k( 240) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028818 k( 241) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028818 k( 242) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028818 k( 243) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028818 k( 244) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028818 k( 245) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028818 k( 246) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028818 k( 247) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028818 k( 248) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028818 k( 249) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028818 k( 250) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028818 k( 251) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028818 k( 252) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028818 k( 253) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028818 k( 254) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028818 k( 255) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028818 k( 256) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028818 k( 257) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028818 k( 258) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028818 k( 259) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028818 k( 260) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028818 k( 261) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028818 k( 262) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028818 k( 263) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028818 k( 264) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028818 k( 265) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028818 k( 266) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028818 k( 267) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028818 k( 268) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028818 k( 269) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028818 k( 270) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028818 k( 271) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028818 k( 272) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028818 k( 273) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028818 k( 274) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028818 k( 275) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028818 k( 276) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028818 k( 277) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028818 k( 278) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028818 k( 279) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028818 k( 280) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028818 k( 281) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028818 k( 282) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028818 k( 283) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028818 k( 284) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028818 k( 285) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028818 k( 286) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028818 k( 287) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028818 k( 288) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028818 k( 289) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028818 k( 290) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028818 k( 291) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028818 k( 292) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028818 k( 293) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028818 k( 294) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028818 k( 295) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028818 k( 296) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028818 k( 297) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028818 k( 298) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028818 k( 299) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028818 k( 300) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028818 k( 301) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028818 k( 302) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028818 k( 303) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028818 k( 304) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028818 k( 305) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028818 k( 306) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028818 k( 307) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028818 k( 308) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028818 k( 309) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028818 k( 310) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028818 k( 311) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028818 k( 312) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028818 k( 313) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028818 k( 314) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028818 k( 315) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028818 k( 316) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028818 k( 317) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028818 k( 318) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028818 k( 319) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028818 k( 320) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028818 k( 321) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028818 k( 322) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028818 k( 323) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028818 k( 324) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028818 k( 325) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028818 k( 326) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028818 k( 327) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028818 k( 328) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028818 k( 329) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028818 k( 330) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028818 k( 331) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028818 k( 332) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028818 k( 333) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028818 k( 334) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028818 k( 335) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028818 k( 336) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028818 k( 337) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028818 k( 338) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028818 k( 339) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028818 k( 340) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028818 k( 341) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028818 k( 342) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028818 k( 343) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028818 k( 344) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028818 k( 345) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028818 k( 346) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028818 k( 347) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028818 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0096154 -0.0000000 0.0096154), wk = 0.0028818 k( 3) = ( 0.0192308 -0.0000000 0.0192308), wk = 0.0028818 k( 4) = ( 0.0288462 -0.0000000 0.0288461), wk = 0.0028818 k( 5) = ( 0.0384615 -0.0000000 0.0384615), wk = 0.0028818 k( 6) = ( 0.0480769 -0.0000000 0.0480769), wk = 0.0028818 k( 7) = ( 0.0576923 -0.0000000 0.0576923), wk = 0.0028818 k( 8) = ( 0.0673077 0.0000000 0.0673077), wk = 0.0028818 k( 9) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0028818 k( 10) = ( 0.0865385 -0.0000000 0.0865385), wk = 0.0028818 k( 11) = ( 0.0961538 -0.0000000 0.0961538), wk = 0.0028818 k( 12) = ( 0.1057692 -0.0000000 0.1057692), wk = 0.0028818 k( 13) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0028818 k( 14) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0028818 k( 15) = ( 0.1346154 0.0000000 0.1346154), wk = 0.0028818 k( 16) = ( 0.1442308 -0.0000000 0.1442308), wk = 0.0028818 k( 17) = ( 0.1538461 -0.0000000 0.1538461), wk = 0.0028818 k( 18) = ( 0.1634615 -0.0000000 0.1634615), wk = 0.0028818 k( 19) = ( 0.1730769 -0.0000000 0.1730769), wk = 0.0028818 k( 20) = ( 0.1826923 0.0000000 0.1826923), wk = 0.0028818 k( 21) = ( 0.1923077 -0.0000000 0.1923077), wk = 0.0028818 k( 22) = ( 0.2019231 -0.0000000 0.2019231), wk = 0.0028818 k( 23) = ( 0.2115385 -0.0000000 0.2115385), wk = 0.0028818 k( 24) = ( 0.2211539 -0.0000000 0.2211538), wk = 0.0028818 k( 25) = ( 0.2307692 -0.0000000 0.2307692), wk = 0.0028818 k( 26) = ( 0.2403846 -0.0000000 0.2403846), wk = 0.0028818 k( 27) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028818 k( 28) = ( 0.2596154 -0.0000000 0.2596154), wk = 0.0028818 k( 29) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0028818 k( 30) = ( 0.2788462 0.0000000 0.2788462), wk = 0.0028818 k( 31) = ( 0.2884615 -0.0000000 0.2884615), wk = 0.0028818 k( 32) = ( 0.2980769 0.0000000 0.2980769), wk = 0.0028818 k( 33) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0028818 k( 34) = ( 0.3173077 -0.0000000 0.3173077), wk = 0.0028818 k( 35) = ( 0.3269231 -0.0000000 0.3269231), wk = 0.0028818 k( 36) = ( 0.3365385 0.0000000 0.3365385), wk = 0.0028818 k( 37) = ( 0.3461538 -0.0000000 0.3461538), wk = 0.0028818 k( 38) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0028818 k( 39) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0028818 k( 40) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0028818 k( 41) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0028818 k( 42) = ( 0.3942308 -0.0000000 0.3942308), wk = 0.0028818 k( 43) = ( 0.4038462 -0.0000000 0.4038461), wk = 0.0028818 k( 44) = ( 0.4134615 -0.0000000 0.4134615), wk = 0.0028818 k( 45) = ( 0.4230769 -0.0000000 0.4230769), wk = 0.0028818 k( 46) = ( 0.4326923 -0.0000000 0.4326923), wk = 0.0028818 k( 47) = ( 0.4423077 0.0000000 0.4423077), wk = 0.0028818 k( 48) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0028818 k( 49) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0028818 k( 50) = ( 0.4711538 -0.0000000 0.4711538), wk = 0.0028818 k( 51) = ( 0.4807692 -0.0000000 0.4807692), wk = 0.0028818 k( 52) = ( 0.4903846 -0.0000000 0.4903846), wk = 0.0028818 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028818 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028818 k( 55) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0028818 k( 56) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0028818 k( 57) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0028818 k( 58) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0028818 k( 59) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0028818 k( 60) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0028818 k( 61) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0028818 k( 62) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0028818 k( 63) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0028818 k( 64) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0028818 k( 65) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0028818 k( 66) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0028818 k( 67) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0028818 k( 68) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0028818 k( 69) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0028818 k( 70) = ( 0.5000000 0.1538461 0.6538461), wk = 0.0028818 k( 71) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0028818 k( 72) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0028818 k( 73) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0028818 k( 74) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0028818 k( 75) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0028818 k( 76) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0028818 k( 77) = ( 0.5000000 0.2211538 0.7211538), wk = 0.0028818 k( 78) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028818 k( 79) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028818 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028818 k( 81) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028818 k( 82) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028818 k( 83) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028818 k( 84) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028818 k( 85) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028818 k( 86) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028818 k( 87) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028818 k( 88) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028818 k( 89) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028818 k( 90) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028818 k( 91) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028818 k( 92) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028818 k( 93) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028818 k( 94) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028818 k( 95) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028818 k( 96) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028818 k( 97) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028818 k( 98) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028818 k( 99) = ( 0.3815789 0.3684210 0.7500000), wk = 0.0028818 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028818 k( 101) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028818 k( 102) = ( 0.3683036 0.3683036 0.7366071), wk = 0.0028818 k( 103) = ( 0.3616071 0.3616071 0.7232143), wk = 0.0028818 k( 104) = ( 0.3549107 0.3549107 0.7098214), wk = 0.0028818 k( 105) = ( 0.3482143 0.3482143 0.6964286), wk = 0.0028818 k( 106) = ( 0.3415179 0.3415179 0.6830357), wk = 0.0028818 k( 107) = ( 0.3348214 0.3348214 0.6696429), wk = 0.0028818 k( 108) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0028818 k( 109) = ( 0.3214286 0.3214286 0.6428571), wk = 0.0028818 k( 110) = ( 0.3147321 0.3147321 0.6294643), wk = 0.0028818 k( 111) = ( 0.3080357 0.3080357 0.6160714), wk = 0.0028818 k( 112) = ( 0.3013393 0.3013393 0.6026786), wk = 0.0028818 k( 113) = ( 0.2946429 0.2946429 0.5892857), wk = 0.0028818 k( 114) = ( 0.2879464 0.2879464 0.5758929), wk = 0.0028818 k( 115) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0028818 k( 116) = ( 0.2745536 0.2745536 0.5491071), wk = 0.0028818 k( 117) = ( 0.2678571 0.2678571 0.5357143), wk = 0.0028818 k( 118) = ( 0.2611607 0.2611607 0.5223214), wk = 0.0028818 k( 119) = ( 0.2544643 0.2544643 0.5089286), wk = 0.0028818 k( 120) = ( 0.2477679 0.2477679 0.4955357), wk = 0.0028818 k( 121) = ( 0.2410714 0.2410714 0.4821429), wk = 0.0028818 k( 122) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0028818 k( 123) = ( 0.2276786 0.2276786 0.4553571), wk = 0.0028818 k( 124) = ( 0.2209821 0.2209821 0.4419643), wk = 0.0028818 k( 125) = ( 0.2142857 0.2142857 0.4285714), wk = 0.0028818 k( 126) = ( 0.2075893 0.2075893 0.4151786), wk = 0.0028818 k( 127) = ( 0.2008929 0.2008929 0.4017857), wk = 0.0028818 k( 128) = ( 0.1941964 0.1941964 0.3883929), wk = 0.0028818 k( 129) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0028818 k( 130) = ( 0.1808036 0.1808036 0.3616071), wk = 0.0028818 k( 131) = ( 0.1741071 0.1741071 0.3482143), wk = 0.0028818 k( 132) = ( 0.1674107 0.1674107 0.3348214), wk = 0.0028818 k( 133) = ( 0.1607143 0.1607143 0.3214286), wk = 0.0028818 k( 134) = ( 0.1540179 0.1540179 0.3080357), wk = 0.0028818 k( 135) = ( 0.1473214 0.1473214 0.2946429), wk = 0.0028818 k( 136) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0028818 k( 137) = ( 0.1339286 0.1339286 0.2678571), wk = 0.0028818 k( 138) = ( 0.1272321 0.1272321 0.2544643), wk = 0.0028818 k( 139) = ( 0.1205357 0.1205357 0.2410714), wk = 0.0028818 k( 140) = ( 0.1138393 0.1138393 0.2276786), wk = 0.0028818 k( 141) = ( 0.1071429 0.1071429 0.2142857), wk = 0.0028818 k( 142) = ( 0.1004464 0.1004464 0.2008929), wk = 0.0028818 k( 143) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0028818 k( 144) = ( 0.0870536 0.0870536 0.1741071), wk = 0.0028818 k( 145) = ( 0.0803571 0.0803571 0.1607143), wk = 0.0028818 k( 146) = ( 0.0736607 0.0736607 0.1473214), wk = 0.0028818 k( 147) = ( 0.0669643 0.0669643 0.1339286), wk = 0.0028818 k( 148) = ( 0.0602679 0.0602679 0.1205357), wk = 0.0028818 k( 149) = ( 0.0535714 0.0535714 0.1071429), wk = 0.0028818 k( 150) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0028818 k( 151) = ( 0.0401786 0.0401786 0.0803571), wk = 0.0028818 k( 152) = ( 0.0334821 0.0334821 0.0669643), wk = 0.0028818 k( 153) = ( 0.0267857 0.0267857 0.0535714), wk = 0.0028818 k( 154) = ( 0.0200893 0.0200893 0.0401786), wk = 0.0028818 k( 155) = ( 0.0133929 0.0133929 0.0267857), wk = 0.0028818 k( 156) = ( 0.0066964 0.0066964 0.0133929), wk = 0.0028818 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 159) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0028818 k( 160) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0028818 k( 161) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0028818 k( 162) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0028818 k( 163) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028818 k( 164) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0028818 k( 165) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0028818 k( 166) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0028818 k( 167) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028818 k( 168) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028818 k( 169) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0028818 k( 170) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0028818 k( 171) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0028818 k( 172) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0028818 k( 173) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028818 k( 174) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0028818 k( 175) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0028818 k( 176) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028818 k( 177) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0028818 k( 178) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028818 k( 179) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0028818 k( 180) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0028818 k( 181) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0028818 k( 182) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0028818 k( 183) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028818 k( 184) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0028818 k( 185) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028818 k( 186) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0028818 k( 187) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0028818 k( 188) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028818 k( 189) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0028818 k( 190) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0028818 k( 191) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0028818 k( 192) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0028818 k( 193) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028818 k( 194) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028818 k( 195) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0028818 k( 196) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0028818 k( 197) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0028818 k( 198) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028818 k( 199) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0028818 k( 200) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0028818 k( 201) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0028818 k( 202) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0028818 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 204) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 205) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028818 k( 206) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028818 k( 207) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0028818 k( 208) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028818 k( 209) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028818 k( 210) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028818 k( 211) = ( 0.5273438 0.4453125 0.5273437), wk = 0.0028818 k( 212) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028818 k( 213) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028818 k( 214) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028818 k( 215) = ( 0.5429688 0.4140625 0.5429687), wk = 0.0028818 k( 216) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028818 k( 217) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028818 k( 218) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028818 k( 219) = ( 0.5585938 0.3828125 0.5585937), wk = 0.0028818 k( 220) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028818 k( 221) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028818 k( 222) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028818 k( 223) = ( 0.5742188 0.3515625 0.5742187), wk = 0.0028818 k( 224) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028818 k( 225) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028818 k( 226) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028818 k( 227) = ( 0.5898438 0.3203125 0.5898437), wk = 0.0028818 k( 228) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028818 k( 229) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028818 k( 230) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028818 k( 231) = ( 0.6054688 0.2890625 0.6054687), wk = 0.0028818 k( 232) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028818 k( 233) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028818 k( 234) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028818 k( 235) = ( 0.6210938 0.2578125 0.6210937), wk = 0.0028818 k( 236) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028818 k( 237) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028818 k( 238) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028818 k( 239) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028818 k( 240) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028818 k( 241) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028818 k( 242) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028818 k( 243) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028818 k( 244) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028818 k( 245) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028818 k( 246) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028818 k( 247) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028818 k( 248) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028818 k( 249) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028818 k( 250) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028818 k( 251) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028818 k( 252) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028818 k( 253) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028818 k( 254) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028818 k( 255) = ( 0.5065789 0.2500000 0.7434210), wk = 0.0028818 k( 256) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028818 k( 257) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028818 k( 258) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028818 k( 259) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028818 k( 260) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028818 k( 261) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028818 k( 262) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028818 k( 263) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028818 k( 264) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028818 k( 265) = ( 0.5000000 0.3040540 0.6959459), wk = 0.0028818 k( 266) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028818 k( 267) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028818 k( 268) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028818 k( 269) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028818 k( 270) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028818 k( 271) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028818 k( 272) = ( 0.5000000 0.3513513 0.6486486), wk = 0.0028818 k( 273) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028818 k( 274) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028818 k( 275) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028818 k( 276) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028818 k( 277) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028818 k( 278) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028818 k( 279) = ( 0.5000000 0.3986486 0.6013513), wk = 0.0028818 k( 280) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028818 k( 281) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028818 k( 282) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028818 k( 283) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028818 k( 284) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028818 k( 285) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028818 k( 286) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028818 k( 287) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028818 k( 288) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028818 k( 289) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028818 k( 290) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028818 k( 291) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028818 k( 292) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028818 k( 293) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028818 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 295) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028818 k( 296) = ( 0.4960938 0.4960937 0.5078125), wk = 0.0028818 k( 297) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028818 k( 298) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028818 k( 299) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028818 k( 300) = ( 0.4804688 0.4804687 0.5390625), wk = 0.0028818 k( 301) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028818 k( 302) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028818 k( 303) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028818 k( 304) = ( 0.4648438 0.4648437 0.5703125), wk = 0.0028818 k( 305) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028818 k( 306) = ( 0.4570312 0.4570312 0.5859375), wk = 0.0028818 k( 307) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028818 k( 308) = ( 0.4492188 0.4492187 0.6015625), wk = 0.0028818 k( 309) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028818 k( 310) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0028818 k( 311) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028818 k( 312) = ( 0.4335938 0.4335937 0.6328125), wk = 0.0028818 k( 313) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028818 k( 314) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028818 k( 315) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028818 k( 316) = ( 0.4179688 0.4179687 0.6640625), wk = 0.0028818 k( 317) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028818 k( 318) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0028818 k( 319) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028818 k( 320) = ( 0.4023438 0.4023437 0.6953125), wk = 0.0028818 k( 321) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028818 k( 322) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0028818 k( 323) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028818 k( 324) = ( 0.3867188 0.3867187 0.7265625), wk = 0.0028818 k( 325) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028818 k( 326) = ( 0.3789062 0.3789062 0.7421875), wk = 0.0028818 k( 327) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028818 k( 328) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028818 k( 329) = ( 0.6184211 0.2368421 0.6184210), wk = 0.0028818 k( 330) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028818 k( 331) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028818 k( 332) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028818 k( 333) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028818 k( 334) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028818 k( 335) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028818 k( 336) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028818 k( 337) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028818 k( 338) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028818 k( 339) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028818 k( 340) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028818 k( 341) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028818 k( 342) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028818 k( 343) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028818 k( 344) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028818 k( 345) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028818 k( 346) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028818 k( 347) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028818 Dense grid: 51109 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 18499 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 132, 34) NL pseudopotentials 0.10 Mb ( 66, 102) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1420) G-vector shells 0.00 Mb ( 371) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 132, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.11 Mb ( 102, 2, 34) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ScNiSb.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.7 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 6.8 secs Computing kpt #: 8 total cpu time spent up to now is 7.3 secs Computing kpt #: 9 total cpu time spent up to now is 8.0 secs Computing kpt #: 10 total cpu time spent up to now is 8.6 secs Computing kpt #: 11 total cpu time spent up to now is 9.1 secs Computing kpt #: 12 total cpu time spent up to now is 9.7 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 11.0 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 12.1 secs Computing kpt #: 17 total cpu time spent up to now is 12.5 secs Computing kpt #: 18 total cpu time spent up to now is 13.1 secs Computing kpt #: 19 total cpu time spent up to now is 13.5 secs Computing kpt #: 20 total cpu time spent up to now is 14.1 secs Computing kpt #: 21 total cpu time spent up to now is 14.6 secs Computing kpt #: 22 total cpu time spent up to now is 15.1 secs Computing kpt #: 23 total cpu time spent up to now is 15.5 secs Computing kpt #: 24 total cpu time spent up to now is 16.1 secs Computing kpt #: 25 total cpu time spent up to now is 16.6 secs Computing kpt #: 26 total cpu time spent up to now is 17.2 secs Computing kpt #: 27 total cpu time spent up to now is 17.8 secs Computing kpt #: 28 total cpu time spent up to now is 18.3 secs Computing kpt #: 29 total cpu time spent up to now is 18.9 secs Computing kpt #: 30 total cpu time spent up to now is 19.5 secs Computing kpt #: 31 total cpu time spent up to now is 20.0 secs Computing kpt #: 32 total cpu time spent up to now is 20.6 secs Computing kpt #: 33 total cpu time spent up to now is 21.2 secs Computing kpt #: 34 total cpu time spent up to now is 21.7 secs Computing kpt #: 35 total cpu time spent up to now is 22.2 secs Computing kpt #: 36 total cpu time spent up to now is 22.8 secs Computing kpt #: 37 total cpu time spent up to now is 23.3 secs Computing kpt #: 38 total cpu time spent up to now is 23.8 secs Computing kpt #: 39 total cpu time spent up to now is 24.3 secs Computing kpt #: 40 total cpu time spent up to now is 24.8 secs Computing kpt #: 41 total cpu time spent up to now is 25.4 secs Computing kpt #: 42 total cpu time spent up to now is 25.9 secs Computing kpt #: 43 total cpu time spent up to now is 26.4 secs Computing kpt #: 44 total cpu time spent up to now is 27.0 secs Computing kpt #: 45 total cpu time spent up to now is 27.6 secs Computing kpt #: 46 total cpu time spent up to now is 28.2 secs Computing kpt #: 47 total cpu time spent up to now is 28.8 secs Computing kpt #: 48 total cpu time spent up to now is 29.3 secs Computing kpt #: 49 total cpu time spent up to now is 29.9 secs Computing kpt #: 50 total cpu time spent up to now is 30.4 secs Computing kpt #: 51 total cpu time spent up to now is 31.0 secs Computing kpt #: 52 total cpu time spent up to now is 31.6 secs Computing kpt #: 53 total cpu time spent up to now is 32.2 secs Computing kpt #: 54 total cpu time spent up to now is 32.7 secs Computing kpt #: 55 total cpu time spent up to now is 33.3 secs Computing kpt #: 56 total cpu time spent up to now is 33.8 secs Computing kpt #: 57 total cpu time spent up to now is 34.4 secs Computing kpt #: 58 total cpu time spent up to now is 35.0 secs Computing kpt #: 59 total cpu time spent up to now is 35.6 secs Computing kpt #: 60 total cpu time spent up to now is 36.1 secs Computing kpt #: 61 total cpu time spent up to now is 36.6 secs Computing kpt #: 62 total cpu time spent up to now is 37.1 secs Computing kpt #: 63 total cpu time spent up to now is 37.5 secs Computing kpt #: 64 total cpu time spent up to now is 38.0 secs Computing kpt #: 65 total cpu time spent up to now is 38.4 secs Computing kpt #: 66 total cpu time spent up to now is 39.0 secs Computing kpt #: 67 total cpu time spent up to now is 39.6 secs Computing kpt #: 68 total cpu time spent up to now is 40.2 secs Computing kpt #: 69 total cpu time spent up to now is 40.8 secs Computing kpt #: 70 total cpu time spent up to now is 41.4 secs Computing kpt #: 71 total cpu time spent up to now is 42.0 secs Computing kpt #: 72 total cpu time spent up to now is 42.5 secs Computing kpt #: 73 total cpu time spent up to now is 43.0 secs Computing kpt #: 74 total cpu time spent up to now is 43.6 secs Computing kpt #: 75 total cpu time spent up to now is 44.1 secs Computing kpt #: 76 total cpu time spent up to now is 44.6 secs Computing kpt #: 77 total cpu time spent up to now is 45.1 secs Computing kpt #: 78 total cpu time spent up to now is 45.6 secs Computing kpt #: 79 total cpu time spent up to now is 46.1 secs Computing kpt #: 80 total cpu time spent up to now is 46.6 secs Computing kpt #: 81 total cpu time spent up to now is 47.1 secs Computing kpt #: 82 total cpu time spent up to now is 47.5 secs Computing kpt #: 83 total cpu time spent up to now is 48.0 secs Computing kpt #: 84 total cpu time spent up to now is 48.5 secs Computing kpt #: 85 total cpu time spent up to now is 49.0 secs Computing kpt #: 86 total cpu time spent up to now is 49.5 secs Computing kpt #: 87 total cpu time spent up to now is 50.0 secs Computing kpt #: 88 total cpu time spent up to now is 50.6 secs Computing kpt #: 89 total cpu time spent up to now is 51.1 secs Computing kpt #: 90 total cpu time spent up to now is 51.6 secs Computing kpt #: 91 total cpu time spent up to now is 52.2 secs Computing kpt #: 92 total cpu time spent up to now is 52.8 secs Computing kpt #: 93 total cpu time spent up to now is 53.4 secs Computing kpt #: 94 total cpu time spent up to now is 54.0 secs Computing kpt #: 95 total cpu time spent up to now is 54.4 secs Computing kpt #: 96 total cpu time spent up to now is 54.9 secs Computing kpt #: 97 total cpu time spent up to now is 55.3 secs Computing kpt #: 98 total cpu time spent up to now is 55.8 secs Computing kpt #: 99 total cpu time spent up to now is 56.3 secs Computing kpt #: 100 total cpu time spent up to now is 56.8 secs Computing kpt #: 101 total cpu time spent up to now is 57.2 secs Computing kpt #: 102 total cpu time spent up to now is 57.7 secs Computing kpt #: 103 total cpu time spent up to now is 58.2 secs Computing kpt #: 104 total cpu time spent up to now is 58.6 secs Computing kpt #: 105 total cpu time spent up to now is 59.0 secs Computing kpt #: 106 total cpu time spent up to now is 59.5 secs Computing kpt #: 107 total cpu time spent up to now is 59.8 secs Computing kpt #: 108 total cpu time spent up to now is 60.3 secs Computing kpt #: 109 total cpu time spent up to now is 60.7 secs Computing kpt #: 110 total cpu time spent up to now is 61.0 secs Computing kpt #: 111 total cpu time spent up to now is 61.4 secs Computing kpt #: 112 total cpu time spent up to now is 61.8 secs Computing kpt #: 113 total cpu time spent up to now is 62.2 secs Computing kpt #: 114 total cpu time spent up to now is 62.5 secs Computing kpt #: 115 total cpu time spent up to now is 62.9 secs Computing kpt #: 116 total cpu time spent up to now is 63.3 secs Computing kpt #: 117 total cpu time spent up to now is 63.7 secs Computing kpt #: 118 total cpu time spent up to now is 64.1 secs Computing kpt #: 119 total cpu time spent up to now is 64.5 secs Computing kpt #: 120 total cpu time spent up to now is 64.9 secs Computing kpt #: 121 total cpu time spent up to now is 65.2 secs Computing kpt #: 122 total cpu time spent up to now is 65.5 secs Computing kpt #: 123 total cpu time spent up to now is 65.9 secs Computing kpt #: 124 total cpu time spent up to now is 66.2 secs Computing kpt #: 125 total cpu time spent up to now is 66.5 secs Computing kpt #: 126 total cpu time spent up to now is 66.9 secs Computing kpt #: 127 total cpu time spent up to now is 67.2 secs Computing kpt #: 128 total cpu time spent up to now is 67.6 secs Computing kpt #: 129 total cpu time spent up to now is 67.9 secs Computing kpt #: 130 total cpu time spent up to now is 68.2 secs Computing kpt #: 131 total cpu time spent up to now is 68.6 secs Computing kpt #: 132 total cpu time spent up to now is 68.9 secs Computing kpt #: 133 total cpu time spent up to now is 69.3 secs Computing kpt #: 134 total cpu time spent up to now is 69.6 secs Computing kpt #: 135 total cpu time spent up to now is 70.0 secs Computing kpt #: 136 total cpu time spent up to now is 70.4 secs Computing kpt #: 137 total cpu time spent up to now is 70.7 secs Computing kpt #: 138 total cpu time spent up to now is 71.1 secs Computing kpt #: 139 total cpu time spent up to now is 71.5 secs Computing kpt #: 140 total cpu time spent up to now is 71.9 secs Computing kpt #: 141 total cpu time spent up to now is 72.2 secs Computing kpt #: 142 total cpu time spent up to now is 72.6 secs Computing kpt #: 143 total cpu time spent up to now is 73.0 secs Computing kpt #: 144 total cpu time spent up to now is 73.5 secs Computing kpt #: 145 total cpu time spent up to now is 73.9 secs Computing kpt #: 146 total cpu time spent up to now is 74.4 secs Computing kpt #: 147 total cpu time spent up to now is 74.8 secs Computing kpt #: 148 total cpu time spent up to now is 75.3 secs Computing kpt #: 149 total cpu time spent up to now is 75.8 secs Computing kpt #: 150 total cpu time spent up to now is 76.3 secs Computing kpt #: 151 total cpu time spent up to now is 76.7 secs Computing kpt #: 152 total cpu time spent up to now is 77.2 secs Computing kpt #: 153 total cpu time spent up to now is 77.6 secs Computing kpt #: 154 total cpu time spent up to now is 78.1 secs Computing kpt #: 155 total cpu time spent up to now is 78.6 secs Computing kpt #: 156 total cpu time spent up to now is 79.1 secs Computing kpt #: 157 total cpu time spent up to now is 79.6 secs Computing kpt #: 158 total cpu time spent up to now is 80.2 secs Computing kpt #: 159 total cpu time spent up to now is 80.9 secs Computing kpt #: 160 total cpu time spent up to now is 81.4 secs Computing kpt #: 161 total cpu time spent up to now is 81.9 secs Computing kpt #: 162 total cpu time spent up to now is 82.4 secs Computing kpt #: 163 total cpu time spent up to now is 82.9 secs Computing kpt #: 164 total cpu time spent up to now is 83.4 secs Computing kpt #: 165 total cpu time spent up to now is 84.0 secs Computing kpt #: 166 total cpu time spent up to now is 84.5 secs Computing kpt #: 167 total cpu time spent up to now is 84.9 secs Computing kpt #: 168 total cpu time spent up to now is 85.4 secs Computing kpt #: 169 total cpu time spent up to now is 85.8 secs Computing kpt #: 170 total cpu time spent up to now is 86.4 secs Computing kpt #: 171 total cpu time spent up to now is 86.9 secs Computing kpt #: 172 total cpu time spent up to now is 87.5 secs Computing kpt #: 173 total cpu time spent up to now is 88.0 secs Computing kpt #: 174 total cpu time spent up to now is 88.6 secs Computing kpt #: 175 total cpu time spent up to now is 89.0 secs Computing kpt #: 176 total cpu time spent up to now is 89.6 secs Computing kpt #: 177 total cpu time spent up to now is 90.1 secs Computing kpt #: 178 total cpu time spent up to now is 90.7 secs Computing kpt #: 179 total cpu time spent up to now is 91.2 secs Computing kpt #: 180 total cpu time spent up to now is 91.8 secs Computing kpt #: 181 total cpu time spent up to now is 92.4 secs Computing kpt #: 182 total cpu time spent up to now is 93.0 secs Computing kpt #: 183 total cpu time spent up to now is 93.6 secs Computing kpt #: 184 total cpu time spent up to now is 94.2 secs Computing kpt #: 185 total cpu time spent up to now is 95.0 secs Computing kpt #: 186 total cpu time spent up to now is 95.6 secs Computing kpt #: 187 total cpu time spent up to now is 96.3 secs Computing kpt #: 188 total cpu time spent up to now is 96.9 secs Computing kpt #: 189 total cpu time spent up to now is 97.4 secs Computing kpt #: 190 total cpu time spent up to now is 98.0 secs Computing kpt #: 191 total cpu time spent up to now is 98.6 secs Computing kpt #: 192 total cpu time spent up to now is 99.1 secs Computing kpt #: 193 total cpu time spent up to now is 99.6 secs Computing kpt #: 194 total cpu time spent up to now is 100.0 secs Computing kpt #: 195 total cpu time spent up to now is 100.5 secs Computing kpt #: 196 total cpu time spent up to now is 100.8 secs Computing kpt #: 197 total cpu time spent up to now is 101.2 secs Computing kpt #: 198 total cpu time spent up to now is 101.5 secs Computing kpt #: 199 total cpu time spent up to now is 101.8 secs Computing kpt #: 200 total cpu time spent up to now is 102.2 secs Computing kpt #: 201 total cpu time spent up to now is 102.5 secs Computing kpt #: 202 total cpu time spent up to now is 102.8 secs Computing kpt #: 203 total cpu time spent up to now is 103.2 secs Computing kpt #: 204 total cpu time spent up to now is 103.5 secs Computing kpt #: 205 total cpu time spent up to now is 103.9 secs Computing kpt #: 206 total cpu time spent up to now is 104.3 secs Computing kpt #: 207 total cpu time spent up to now is 104.8 secs Computing kpt #: 208 total cpu time spent up to now is 105.2 secs Computing kpt #: 209 total cpu time spent up to now is 105.7 secs Computing kpt #: 210 total cpu time spent up to now is 106.1 secs Computing kpt #: 211 total cpu time spent up to now is 106.6 secs Computing kpt #: 212 total cpu time spent up to now is 107.1 secs Computing kpt #: 213 total cpu time spent up to now is 107.5 secs Computing kpt #: 214 total cpu time spent up to now is 108.0 secs Computing kpt #: 215 total cpu time spent up to now is 108.5 secs Computing kpt #: 216 total cpu time spent up to now is 108.9 secs Computing kpt #: 217 total cpu time spent up to now is 109.4 secs Computing kpt #: 218 total cpu time spent up to now is 109.8 secs Computing kpt #: 219 total cpu time spent up to now is 110.3 secs Computing kpt #: 220 total cpu time spent up to now is 110.8 secs Computing kpt #: 221 total cpu time spent up to now is 111.3 secs Computing kpt #: 222 total cpu time spent up to now is 111.7 secs Computing kpt #: 223 total cpu time spent up to now is 112.1 secs Computing kpt #: 224 total cpu time spent up to now is 112.6 secs Computing kpt #: 225 total cpu time spent up to now is 113.1 secs Computing kpt #: 226 total cpu time spent up to now is 113.5 secs Computing kpt #: 227 total cpu time spent up to now is 113.9 secs Computing kpt #: 228 total cpu time spent up to now is 114.3 secs Computing kpt #: 229 total cpu time spent up to now is 114.7 secs Computing kpt #: 230 total cpu time spent up to now is 115.1 secs Computing kpt #: 231 total cpu time spent up to now is 115.6 secs Computing kpt #: 232 total cpu time spent up to now is 116.1 secs Computing kpt #: 233 total cpu time spent up to now is 116.5 secs Computing kpt #: 234 total cpu time spent up to now is 116.9 secs Computing kpt #: 235 total cpu time spent up to now is 117.4 secs Computing kpt #: 236 total cpu time spent up to now is 117.9 secs Computing kpt #: 237 total cpu time spent up to now is 118.4 secs Computing kpt #: 238 total cpu time spent up to now is 118.9 secs Computing kpt #: 239 total cpu time spent up to now is 119.4 secs Computing kpt #: 240 total cpu time spent up to now is 119.9 secs Computing kpt #: 241 total cpu time spent up to now is 120.3 secs Computing kpt #: 242 total cpu time spent up to now is 120.8 secs Computing kpt #: 243 total cpu time spent up to now is 121.3 secs Computing kpt #: 244 total cpu time spent up to now is 121.8 secs Computing kpt #: 245 total cpu time spent up to now is 122.4 secs Computing kpt #: 246 total cpu time spent up to now is 123.0 secs Computing kpt #: 247 total cpu time spent up to now is 123.6 secs Computing kpt #: 248 total cpu time spent up to now is 124.2 secs Computing kpt #: 249 total cpu time spent up to now is 124.7 secs Computing kpt #: 250 total cpu time spent up to now is 125.2 secs Computing kpt #: 251 total cpu time spent up to now is 125.7 secs Computing kpt #: 252 total cpu time spent up to now is 126.2 secs Computing kpt #: 253 total cpu time spent up to now is 126.7 secs Computing kpt #: 254 total cpu time spent up to now is 127.3 secs Computing kpt #: 255 total cpu time spent up to now is 127.7 secs Computing kpt #: 256 total cpu time spent up to now is 128.2 secs Computing kpt #: 257 total cpu time spent up to now is 128.8 secs Computing kpt #: 258 total cpu time spent up to now is 129.2 secs Computing kpt #: 259 total cpu time spent up to now is 129.8 secs Computing kpt #: 260 total cpu time spent up to now is 130.3 secs Computing kpt #: 261 total cpu time spent up to now is 130.8 secs Computing kpt #: 262 total cpu time spent up to now is 131.4 secs Computing kpt #: 263 total cpu time spent up to now is 131.9 secs Computing kpt #: 264 total cpu time spent up to now is 132.4 secs Computing kpt #: 265 total cpu time spent up to now is 133.0 secs Computing kpt #: 266 total cpu time spent up to now is 133.4 secs Computing kpt #: 267 total cpu time spent up to now is 134.1 secs Computing kpt #: 268 total cpu time spent up to now is 134.6 secs Computing kpt #: 269 total cpu time spent up to now is 135.2 secs Computing kpt #: 270 total cpu time spent up to now is 135.6 secs Computing kpt #: 271 total cpu time spent up to now is 136.2 secs Computing kpt #: 272 total cpu time spent up to now is 136.6 secs Computing kpt #: 273 total cpu time spent up to now is 137.1 secs Computing kpt #: 274 total cpu time spent up to now is 137.6 secs Computing kpt #: 275 total cpu time spent up to now is 138.0 secs Computing kpt #: 276 total cpu time spent up to now is 138.8 secs Computing kpt #: 277 total cpu time spent up to now is 139.3 secs Computing kpt #: 278 total cpu time spent up to now is 139.8 secs Computing kpt #: 279 total cpu time spent up to now is 140.2 secs Computing kpt #: 280 total cpu time spent up to now is 140.9 secs Computing kpt #: 281 total cpu time spent up to now is 141.4 secs Computing kpt #: 282 total cpu time spent up to now is 141.9 secs Computing kpt #: 283 total cpu time spent up to now is 142.3 secs Computing kpt #: 284 total cpu time spent up to now is 142.7 secs Computing kpt #: 285 total cpu time spent up to now is 143.2 secs Computing kpt #: 286 total cpu time spent up to now is 143.6 secs Computing kpt #: 287 total cpu time spent up to now is 144.0 secs Computing kpt #: 288 total cpu time spent up to now is 144.5 secs Computing kpt #: 289 total cpu time spent up to now is 144.9 secs Computing kpt #: 290 total cpu time spent up to now is 145.3 secs Computing kpt #: 291 total cpu time spent up to now is 145.8 secs Computing kpt #: 292 total cpu time spent up to now is 146.2 secs Computing kpt #: 293 total cpu time spent up to now is 146.6 secs Computing kpt #: 294 total cpu time spent up to now is 147.0 secs Computing kpt #: 295 total cpu time spent up to now is 147.3 secs Computing kpt #: 296 total cpu time spent up to now is 147.7 secs Computing kpt #: 297 total cpu time spent up to now is 148.2 secs Computing kpt #: 298 total cpu time spent up to now is 148.5 secs Computing kpt #: 299 total cpu time spent up to now is 149.0 secs Computing kpt #: 300 total cpu time spent up to now is 149.4 secs Computing kpt #: 301 total cpu time spent up to now is 149.9 secs Computing kpt #: 302 total cpu time spent up to now is 150.3 secs Computing kpt #: 303 total cpu time spent up to now is 150.7 secs Computing kpt #: 304 total cpu time spent up to now is 151.2 secs Computing kpt #: 305 total cpu time spent up to now is 151.6 secs Computing kpt #: 306 total cpu time spent up to now is 152.0 secs Computing kpt #: 307 total cpu time spent up to now is 152.5 secs Computing kpt #: 308 total cpu time spent up to now is 153.1 secs Computing kpt #: 309 total cpu time spent up to now is 153.5 secs Computing kpt #: 310 total cpu time spent up to now is 154.0 secs Computing kpt #: 311 total cpu time spent up to now is 154.5 secs Computing kpt #: 312 total cpu time spent up to now is 155.0 secs Computing kpt #: 313 total cpu time spent up to now is 155.4 secs Computing kpt #: 314 total cpu time spent up to now is 155.8 secs Computing kpt #: 315 total cpu time spent up to now is 156.3 secs Computing kpt #: 316 total cpu time spent up to now is 156.7 secs Computing kpt #: 317 total cpu time spent up to now is 157.2 secs Computing kpt #: 318 total cpu time spent up to now is 157.6 secs Computing kpt #: 319 total cpu time spent up to now is 158.0 secs Computing kpt #: 320 total cpu time spent up to now is 158.4 secs Computing kpt #: 321 total cpu time spent up to now is 158.9 secs Computing kpt #: 322 total cpu time spent up to now is 159.3 secs Computing kpt #: 323 total cpu time spent up to now is 159.8 secs Computing kpt #: 324 total cpu time spent up to now is 160.3 secs Computing kpt #: 325 total cpu time spent up to now is 160.7 secs Computing kpt #: 326 total cpu time spent up to now is 161.2 secs Computing kpt #: 327 total cpu time spent up to now is 161.6 secs Computing kpt #: 328 total cpu time spent up to now is 162.1 secs Computing kpt #: 329 total cpu time spent up to now is 162.6 secs Computing kpt #: 330 total cpu time spent up to now is 163.1 secs Computing kpt #: 331 total cpu time spent up to now is 163.6 secs Computing kpt #: 332 total cpu time spent up to now is 164.2 secs Computing kpt #: 333 total cpu time spent up to now is 164.8 secs Computing kpt #: 334 total cpu time spent up to now is 165.4 secs Computing kpt #: 335 total cpu time spent up to now is 165.9 secs Computing kpt #: 336 total cpu time spent up to now is 166.5 secs Computing kpt #: 337 total cpu time spent up to now is 166.9 secs Computing kpt #: 338 total cpu time spent up to now is 167.4 secs Computing kpt #: 339 total cpu time spent up to now is 167.8 secs Computing kpt #: 340 total cpu time spent up to now is 168.3 secs Computing kpt #: 341 total cpu time spent up to now is 168.8 secs Computing kpt #: 342 total cpu time spent up to now is 169.3 secs Computing kpt #: 343 total cpu time spent up to now is 169.9 secs Computing kpt #: 344 total cpu time spent up to now is 170.5 secs Computing kpt #: 345 total cpu time spent up to now is 171.1 secs Computing kpt #: 346 total cpu time spent up to now is 171.6 secs Computing kpt #: 347 total cpu time spent up to now is 172.2 secs ethr = 3.85E-08, avg # of iterations = 29.7 total cpu time spent up to now is 172.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -38.4747 -38.4747 -17.4770 -17.4770 -16.9732 -16.9732 -16.9732 -16.9732 -0.3701 -0.3701 7.8183 7.8183 7.9530 7.9530 7.9530 7.9530 8.6462 8.6462 8.6462 8.6462 10.8581 10.8581 10.9532 10.9532 10.9532 10.9532 12.3947 12.3947 12.8191 12.8191 12.8191 12.8191 12.8861 12.8861 k = 0.0096-0.0056 0.0079 ( 2277 PWs) bands (ev): -38.4747 -38.4747 -17.4770 -17.4770 -16.9732 -16.9732 -16.9732 -16.9732 -0.3688 -0.3688 7.8171 7.8171 7.9494 7.9494 7.9547 7.9547 8.6433 8.6433 8.6502 8.6502 10.8534 10.8534 10.9489 10.9489 10.9492 10.9492 12.3924 12.3924 12.7679 12.7679 12.8410 12.8410 12.8690 12.8690 k = 0.0192-0.0111 0.0157 ( 2277 PWs) bands (ev): -38.4747 -38.4747 -17.4771 -17.4771 -16.9732 -16.9732 -16.9732 -16.9732 -0.3649 -0.3649 7.8132 7.8132 7.9429 7.9429 7.9558 7.9558 8.6414 8.6414 8.6552 8.6552 10.8397 10.8397 10.9363 10.9363 10.9374 10.9374 12.3822 12.3822 12.7129 12.7129 12.8477 12.8477 12.8760 12.8760 k = 0.0288-0.0167 0.0236 ( 2269 PWs) bands (ev): -38.4747 -38.4747 -17.4771 -17.4771 -16.9733 -16.9733 -16.9732 -16.9732 -0.3583 -0.3583 7.8058 7.8058 7.9338 7.9338 7.9569 7.9569 8.6406 8.6406 8.6611 8.6611 10.8174 10.8174 10.9154 10.9154 10.9183 10.9183 12.3561 12.3561 12.6780 12.6780 12.8489 12.8489 12.8973 12.8973 k = 0.0385-0.0222 0.0314 ( 2265 PWs) bands (ev): -38.4747 -38.4747 -17.4772 -17.4772 -16.9734 -16.9734 -16.9733 -16.9733 -0.3491 -0.3491 7.7938 7.7938 7.9235 7.9235 7.9583 7.9583 8.6408 8.6408 8.6677 8.6677 10.7871 10.7871 10.8867 10.8867 10.8926 10.8926 12.3099 12.3099 12.6723 12.6723 12.8486 12.8486 12.9280 12.9280 k = 0.0481-0.0278 0.0393 ( 2277 PWs) bands (ev): -38.4747 -38.4747 -17.4773 -17.4773 -16.9737 -16.9737 -16.9734 -16.9734 -0.3373 -0.3373 7.7755 7.7755 7.9133 7.9133 7.9599 7.9599 8.6419 8.6419 8.6748 8.6748 10.7496 10.7496 10.8506 10.8506 10.8608 10.8608 12.2493 12.2493 12.6920 12.6920 12.8479 12.8479 12.9664 12.9664 k = 0.0577-0.0333 0.0471 ( 2285 PWs) bands (ev): -38.4747 -38.4747 -17.4775 -17.4775 -16.9739 -16.9739 -16.9735 -16.9735 -0.3229 -0.3229 7.7502 7.7502 7.9049 7.9049 7.9618 7.9618 8.6439 8.6439 8.6822 8.6822 10.7059 10.7059 10.8082 10.8082 10.8240 10.8240 12.1828 12.1828 12.7287 12.7287 12.8472 12.8472 13.0111 13.0112 k = 0.0673-0.0389 0.0550 ( 2293 PWs) bands (ev): -38.4746 -38.4746 -17.4777 -17.4777 -16.9742 -16.9742 -16.9736 -16.9736 -0.3061 -0.3061 7.7175 7.7175 7.8988 7.8988 7.9640 7.9640 8.6465 8.6465 8.6898 8.6898 10.6567 10.6567 10.7602 10.7602 10.7832 10.7832 12.1160 12.1160 12.7757 12.7757 12.8474 12.8474 13.0612 13.0612 k = 0.0769-0.0444 0.0628 ( 2297 PWs) bands (ev): -38.4746 -38.4746 -17.4779 -17.4779 -16.9745 -16.9745 -16.9738 -16.9738 -0.2867 -0.2867 7.6781 7.6781 7.8947 7.8947 7.9666 7.9666 8.6499 8.6499 8.6973 8.6973 10.6027 10.6027 10.7081 10.7081 10.7389 10.7389 12.0518 12.0518 12.8216 12.8216 12.8562 12.8562 13.1151 13.1151 k = 0.0865-0.0500 0.0707 ( 2297 PWs) bands (ev): -38.4746 -38.4746 -17.4781 -17.4781 -16.9749 -16.9749 -16.9739 -16.9739 -0.2648 -0.2648 7.6327 7.6327 7.8923 7.8923 7.9696 7.9696 8.6538 8.6538 8.7046 8.7046 10.5446 10.5446 10.6529 10.6529 10.6920 10.6920 11.9913 11.9913 12.8343 12.8343 12.9034 12.9034 13.1714 13.1714 k = 0.0962-0.0555 0.0785 ( 2305 PWs) bands (ev): -38.4745 -38.4745 -17.4784 -17.4784 -16.9752 -16.9752 -16.9742 -16.9742 -0.2406 -0.2406 7.5820 7.5820 7.8912 7.8912 7.9728 7.9728 8.6582 8.6582 8.7116 8.7116 10.4828 10.4828 10.5958 10.5958 10.6431 10.6431 11.9351 11.9351 12.8342 12.8342 12.9667 12.9667 13.2253 13.2253 k = 0.1058-0.0611 0.0864 ( 2305 PWs) bands (ev): -38.4745 -38.4745 -17.4787 -17.4787 -16.9756 -16.9756 -16.9743 -16.9743 -0.2140 -0.2140 7.5269 7.5269 7.8910 7.8910 7.9765 7.9765 8.6629 8.6629 8.7181 8.7181 10.4183 10.4183 10.5379 10.5379 10.5926 10.5926 11.8830 11.8830 12.8323 12.8323 13.0338 13.0338 13.2636 13.2636 k = 0.1154-0.0666 0.0942 ( 2297 PWs) bands (ev): -38.4744 -38.4744 -17.4789 -17.4789 -16.9760 -16.9760 -16.9745 -16.9745 -0.1851 -0.1851 7.4680 7.4680 7.8915 7.8915 7.9805 7.9805 8.6679 8.6679 8.7244 8.7244 10.3517 10.3517 10.4799 10.4799 10.5413 10.5413 11.8348 11.8348 12.8298 12.8298 13.1023 13.1023 13.2883 13.2883 k = 0.1250-0.0722 0.1021 ( 2305 PWs) bands (ev): -38.4744 -38.4744 -17.4792 -17.4792 -16.9765 -16.9765 -16.9748 -16.9748 -0.1540 -0.1540 7.4055 7.4055 7.8926 7.8926 7.9849 7.9849 8.6727 8.6727 8.7302 8.7302 10.2836 10.2836 10.4223 10.4223 10.4892 10.4892 11.7901 11.7901 12.8269 12.8269 13.1708 13.1708 13.3104 13.3104 k = 0.1346-0.0777 0.1099 ( 2293 PWs) bands (ev): -38.4743 -38.4743 -17.4795 -17.4795 -16.9770 -16.9770 -16.9750 -16.9750 -0.1208 -0.1208 7.3403 7.3403 7.8941 7.8941 7.9896 7.9896 8.6773 8.6773 8.7358 8.7358 10.2151 10.2151 10.3654 10.3654 10.4371 10.4371 11.7487 11.7487 12.8237 12.8237 13.2377 13.2377 13.3331 13.3331 k = 0.1442-0.0833 0.1178 ( 2293 PWs) bands (ev): -38.4742 -38.4742 -17.4799 -17.4799 -16.9775 -16.9775 -16.9752 -16.9752 -0.0855 -0.0855 7.2726 7.2726 7.8961 7.8961 7.9947 7.9947 8.6812 8.6812 8.7413 8.7413 10.1465 10.1465 10.3094 10.3094 10.3849 10.3849 11.7101 11.7101 12.8202 12.8202 13.2999 13.2999 13.3593 13.3593 k = 0.1538-0.0888 0.1256 ( 2297 PWs) bands (ev): -38.4742 -38.4742 -17.4802 -17.4802 -16.9781 -16.9781 -16.9755 -16.9755 -0.0482 -0.0482 7.2028 7.2028 7.8983 7.8983 8.0001 8.0001 8.6842 8.6842 8.7471 8.7471 10.0785 10.0785 10.2544 10.2544 10.3330 10.3330 11.6742 11.6742 12.8165 12.8165 13.3491 13.3491 13.3967 13.3967 k = 0.1635-0.0944 0.1335 ( 2285 PWs) bands (ev): -38.4741 -38.4741 -17.4806 -17.4806 -16.9786 -16.9786 -16.9757 -16.9757 -0.0091 -0.0091 7.1315 7.1315 7.9009 7.9009 8.0058 8.0058 8.6859 8.6859 8.7534 8.7534 10.0116 10.0116 10.2007 10.2007 10.2818 10.2818 11.6406 11.6406 12.8126 12.8126 13.3815 13.3815 13.4489 13.4489 k = 0.1731-0.0999 0.1413 ( 2281 PWs) bands (ev): -38.4740 -38.4740 -17.4810 -17.4810 -16.9792 -16.9792 -16.9760 -16.9760 0.0318 0.0318 7.0591 7.0591 7.9038 7.9038 8.0120 8.0120 8.6859 8.6859 8.7603 8.7603 9.9460 9.9460 10.1482 10.1482 10.2313 10.2313 11.6090 11.6090 12.8085 12.8085 13.4076 13.4076 13.5043 13.5043 k = 0.1827-0.1055 0.1492 ( 2281 PWs) bands (ev): -38.4740 -38.4740 -17.4814 -17.4814 -16.9798 -16.9798 -16.9763 -16.9763 0.0744 0.0744 6.9858 6.9858 7.9069 7.9069 8.0184 8.0184 8.6841 8.6841 8.7680 8.7680 9.8821 9.8821 10.0970 10.0970 10.1816 10.1816 11.5794 11.5794 12.8043 12.8043 13.4326 13.4326 13.5574 13.5574 k = 0.1923-0.1110 0.1570 ( 2277 PWs) bands (ev): -38.4739 -38.4739 -17.4818 -17.4818 -16.9804 -16.9804 -16.9766 -16.9766 0.1184 0.1184 6.9123 6.9123 7.9102 7.9102 8.0252 8.0252 8.6806 8.6806 8.7765 8.7765 9.8201 9.8201 10.0472 10.0472 10.1330 10.1330 11.5516 11.5516 12.7998 12.7998 13.4576 13.4576 13.6064 13.6064 k = 0.2019-0.1166 0.1649 ( 2285 PWs) bands (ev): -38.4738 -38.4738 -17.4822 -17.4822 -16.9811 -16.9811 -16.9769 -16.9769 0.1639 0.1639 6.8386 6.8386 7.9137 7.9137 8.0323 8.0323 8.6751 8.6751 8.7856 8.7856 9.7600 9.7600 9.9987 9.9987 10.0854 10.0854 11.5255 11.5255 12.7952 12.7952 13.4830 13.4830 13.6506 13.6506 k = 0.2115-0.1221 0.1727 ( 2281 PWs) bands (ev): -38.4737 -38.4737 -17.4827 -17.4827 -16.9818 -16.9818 -16.9772 -16.9772 0.2107 0.2107 6.7654 6.7654 7.9174 7.9174 8.0397 8.0397 8.6680 8.6680 8.7954 8.7954 9.7018 9.7018 9.9517 9.9517 10.0392 10.0392 11.5010 11.5010 12.7905 12.7905 13.5090 13.5090 13.6893 13.6893 k = 0.2212-0.1277 0.1806 ( 2281 PWs) bands (ev): -38.4737 -38.4737 -17.4831 -17.4831 -16.9825 -16.9825 -16.9775 -16.9775 0.2585 0.2585 6.6929 6.6929 7.9213 7.9213 8.0474 8.0474 8.6593 8.6593 8.8056 8.8056 9.6456 9.6456 9.9062 9.9062 9.9942 9.9942 11.4779 11.4779 12.7857 12.7857 13.5355 13.5355 13.7223 13.7223 k = 0.2308-0.1332 0.1884 ( 2293 PWs) bands (ev): -38.4736 -38.4736 -17.4836 -17.4836 -16.9833 -16.9833 -16.9778 -16.9778 0.3073 0.3073 6.6214 6.6214 7.9253 7.9253 8.0553 8.0553 8.6489 8.6489 8.8162 8.8162 9.5913 9.5913 9.8620 9.8620 9.9505 9.9505 11.4563 11.4563 12.7807 12.7807 13.5625 13.5625 13.7495 13.7495 k = 0.2404-0.1388 0.1963 ( 2293 PWs) bands (ev): -38.4735 -38.4735 -17.4841 -17.4841 -16.9840 -16.9840 -16.9781 -16.9781 0.3570 0.3570 6.5513 6.5513 7.9294 7.9294 8.0636 8.0636 8.6372 8.6372 8.8270 8.8270 9.5389 9.5389 9.8193 9.8193 9.9084 9.9084 11.4360 11.4360 12.7757 12.7757 13.5900 13.5900 13.7708 13.7708 k = 0.2500-0.1443 0.2041 ( 2293 PWs) bands (ev): -38.4734 -38.4734 -17.4845 -17.4845 -16.9847 -16.9847 -16.9785 -16.9785 0.4073 0.4073 6.4829 6.4829 7.9337 7.9337 8.0722 8.0722 8.6242 8.6242 8.8381 8.8381 9.4884 9.4884 9.7781 9.7781 9.8678 9.8678 11.4170 11.4170 12.7706 12.7706 13.6178 13.6178 13.7863 13.7863 k = 0.2596-0.1499 0.2120 ( 2293 PWs) bands (ev): -38.4733 -38.4733 -17.4850 -17.4850 -16.9854 -16.9854 -16.9788 -16.9788 0.4580 0.4580 6.4163 6.4163 7.9381 7.9381 8.0809 8.0809 8.6101 8.6101 8.8492 8.8492 9.4395 9.4395 9.7384 9.7384 9.8288 9.8288 11.3993 11.3993 12.7654 12.7654 13.6459 13.6459 13.7963 13.7963 k = 0.2692-0.1554 0.2198 ( 2293 PWs) bands (ev): -38.4732 -38.4732 -17.4855 -17.4855 -16.9861 -16.9861 -16.9791 -16.9791 0.5090 0.5090 6.3519 6.3519 7.9426 7.9426 8.0899 8.0899 8.5948 8.5948 8.8602 8.8602 9.3923 9.3923 9.7001 9.7001 9.7913 9.7913 11.3827 11.3827 12.7602 12.7602 13.6740 13.6740 13.8011 13.8011 k = 0.2788-0.1610 0.2277 ( 2293 PWs) bands (ev): -38.4732 -38.4732 -17.4859 -17.4859 -16.9868 -16.9868 -16.9794 -16.9794 0.5602 0.5602 6.2898 6.2898 7.9471 7.9471 8.0991 8.0991 8.5787 8.5787 8.8712 8.8712 9.3467 9.3467 9.6632 9.6632 9.7555 9.7555 11.3673 11.3673 12.7550 12.7550 13.7020 13.7020 13.8013 13.8013 k = 0.2885-0.1665 0.2355 ( 2305 PWs) bands (ev): -38.4731 -38.4731 -17.4864 -17.4864 -16.9876 -16.9876 -16.9798 -16.9798 0.6111 0.6111 6.2303 6.2303 7.9517 7.9517 8.1085 8.1085 8.5619 8.5619 8.8818 8.8818 9.3026 9.3026 9.6277 9.6277 9.7214 9.7214 11.3529 11.3529 12.7498 12.7498 13.7294 13.7294 13.7973 13.7973 k = 0.2981-0.1721 0.2434 ( 2305 PWs) bands (ev): -38.4730 -38.4730 -17.4869 -17.4869 -16.9883 -16.9883 -16.9801 -16.9801 0.6618 0.6618 6.1735 6.1735 7.9563 7.9563 8.1179 8.1179 8.5445 8.5445 8.8920 8.8920 9.2600 9.2600 9.5936 9.5936 9.6889 9.6889 11.3396 11.3396 12.7446 12.7446 13.7548 13.7548 13.7908 13.7908 k = 0.3077-0.1776 0.2512 ( 2297 PWs) bands (ev): -38.4729 -38.4729 -17.4873 -17.4873 -16.9889 -16.9889 -16.9804 -16.9804 0.7120 0.7120 6.1197 6.1197 7.9610 7.9610 8.1275 8.1275 8.5268 8.5268 8.9017 8.9017 9.2190 9.2190 9.5609 9.5609 9.6582 9.6582 11.3272 11.3272 12.7395 12.7395 13.7682 13.7682 13.7916 13.7916 k = 0.3173-0.1832 0.2591 ( 2289 PWs) bands (ev): -38.4728 -38.4728 -17.4877 -17.4877 -16.9896 -16.9896 -16.9807 -16.9807 0.7614 0.7614 6.0689 6.0689 7.9656 7.9656 8.1372 8.1372 8.5089 8.5089 8.9102 8.9102 9.1798 9.1798 9.5297 9.5297 9.6292 9.6292 11.3158 11.3158 12.7344 12.7344 13.7586 13.7586 13.8079 13.8079 k = 0.3269-0.1887 0.2669 ( 2297 PWs) bands (ev): -38.4728 -38.4728 -17.4882 -17.4882 -16.9903 -16.9903 -16.9810 -16.9810 0.8099 0.8099 6.0211 6.0211 7.9701 7.9701 8.1468 8.1468 8.4908 8.4908 8.9172 8.9172 9.1427 9.1427 9.4997 9.4997 9.6018 9.6018 11.3053 11.3053 12.7294 12.7294 13.7429 13.7429 13.8027 13.8027 k = 0.3365-0.1943 0.2748 ( 2297 PWs) bands (ev): -38.4727 -38.4727 -17.4886 -17.4886 -16.9909 -16.9909 -16.9812 -16.9812 0.8572 0.8572 5.9764 5.9764 7.9746 7.9746 8.1565 8.1565 8.4730 8.4730 8.9218 8.9218 9.1086 9.1086 9.4712 9.4712 9.5761 9.5761 11.2957 11.2957 12.7245 12.7245 13.7247 13.7247 13.7807 13.7807 k = 0.3462-0.1999 0.2826 ( 2297 PWs) bands (ev): -38.4726 -38.4726 -17.4890 -17.4890 -16.9915 -16.9915 -16.9815 -16.9815 0.9031 0.9031 5.9350 5.9350 7.9790 7.9790 8.1660 8.1660 8.4554 8.4554 8.9226 8.9226 9.0790 9.0790 9.4441 9.4441 9.5521 9.5521 11.2868 11.2868 12.7198 12.7198 13.7051 13.7051 13.7560 13.7560 k = 0.3558-0.2054 0.2905 ( 2305 PWs) bands (ev): -38.4725 -38.4725 -17.4895 -17.4895 -16.9921 -16.9921 -16.9818 -16.9818 0.9475 0.9475 5.8969 5.8969 7.9832 7.9832 8.1754 8.1754 8.4382 8.4382 8.9173 8.9173 9.0558 9.0558 9.4183 9.4183 9.5297 9.5297 11.2787 11.2787 12.7151 12.7151 13.6844 13.6844 13.7305 13.7305 k = 0.3654-0.2110 0.2983 ( 2305 PWs) bands (ev): -38.4725 -38.4725 -17.4898 -17.4898 -16.9927 -16.9927 -16.9821 -16.9821 0.9900 0.9900 5.8619 5.8619 7.9873 7.9873 8.1847 8.1847 8.4217 8.4217 8.9043 8.9043 9.0409 9.0409 9.3940 9.3940 9.5090 9.5090 11.2714 11.2714 12.7107 12.7107 13.6633 13.6633 13.7049 13.7049 k = 0.3750-0.2165 0.3062 ( 2321 PWs) bands (ev): -38.4724 -38.4724 -17.4902 -17.4902 -16.9933 -16.9933 -16.9824 -16.9824 1.0306 1.0306 5.8301 5.8301 7.9912 7.9912 8.1937 8.1937 8.4059 8.4059 8.8840 8.8840 9.0339 9.0339 9.3710 9.3710 9.4899 9.4899 11.2647 11.2647 12.7065 12.7065 13.6421 13.6421 13.6794 13.6794 k = 0.3846-0.2221 0.3140 ( 2313 PWs) bands (ev): -38.4723 -38.4723 -17.4906 -17.4906 -16.9938 -16.9938 -16.9826 -16.9826 1.0690 1.0690 5.8015 5.8015 7.9950 7.9950 8.2025 8.2025 8.3909 8.3909 8.8589 8.8589 9.0325 9.0325 9.3496 9.3496 9.4725 9.4725 11.2587 11.2587 12.7025 12.7025 13.6213 13.6213 13.6545 13.6545 k = 0.3942-0.2276 0.3219 ( 2313 PWs) bands (ev): -38.4723 -38.4723 -17.4909 -17.4909 -16.9943 -16.9943 -16.9828 -16.9828 1.1050 1.1050 5.7759 5.7759 7.9985 7.9985 8.2108 8.2108 8.3769 8.3769 8.8315 8.8315 9.0343 9.0343 9.3297 9.3297 9.4565 9.4565 11.2533 11.2533 12.6987 12.6987 13.6010 13.6010 13.6304 13.6304 k = 0.4038-0.2332 0.3297 ( 2313 PWs) bands (ev): -38.4722 -38.4722 -17.4912 -17.4912 -16.9947 -16.9947 -16.9830 -16.9830 1.1384 1.1384 5.7533 5.7533 8.0017 8.0017 8.2188 8.2188 8.3638 8.3638 8.8035 8.8035 9.0378 9.0378 9.3113 9.3113 9.4421 9.4421 11.2485 11.2485 12.6952 12.6952 13.5816 13.5816 13.6073 13.6073 k = 0.4135-0.2387 0.3376 ( 2305 PWs) bands (ev): -38.4722 -38.4722 -17.4914 -17.4914 -16.9951 -16.9951 -16.9831 -16.9831 1.1692 1.1692 5.7335 5.7335 8.0047 8.0047 8.2264 8.2264 8.3519 8.3519 8.7761 8.7761 9.0419 9.0419 9.2945 9.2945 9.4293 9.4293 11.2443 11.2443 12.6919 12.6919 13.5633 13.5633 13.5847 13.5847 k = 0.4231-0.2443 0.3454 ( 2305 PWs) bands (ev): -38.4721 -38.4721 -17.4917 -17.4917 -16.9954 -16.9954 -16.9833 -16.9833 1.1971 1.1971 5.7163 5.7163 8.0074 8.0074 8.2335 8.2335 8.3411 8.3411 8.7499 8.7499 9.0462 9.0462 9.2792 9.2792 9.4179 9.4179 11.2406 11.2406 12.6890 12.6890 13.5454 13.5454 13.5525 13.5525 k = 0.4327-0.2498 0.3533 ( 2301 PWs) bands (ev): -38.4721 -38.4721 -17.4919 -17.4919 -16.9957 -16.9957 -16.9835 -16.9835 1.2221 1.2221 5.7017 5.7017 8.0098 8.0098 8.2401 8.2401 8.3314 8.3314 8.7257 8.7257 9.0505 9.0505 9.2656 9.2656 9.4079 9.4079 11.2374 11.2374 12.6864 12.6864 13.5042 13.5042 13.5319 13.5319 k = 0.4423-0.2554 0.3611 ( 2301 PWs) bands (ev): -38.4721 -38.4721 -17.4920 -17.4920 -16.9960 -16.9960 -16.9836 -16.9836 1.2439 1.2439 5.6894 5.6894 8.0119 8.0119 8.2461 8.2461 8.3227 8.3227 8.7037 8.7037 9.0544 9.0544 9.2536 9.2536 9.3993 9.3993 11.2346 11.2346 12.6840 12.6840 13.4620 13.4620 13.5183 13.5183 k = 0.4519-0.2609 0.3690 ( 2301 PWs) bands (ev): -38.4720 -38.4720 -17.4922 -17.4922 -16.9963 -16.9963 -16.9837 -16.9837 1.2626 1.2626 5.6793 5.6793 8.0137 8.0137 8.2516 8.2516 8.3152 8.3152 8.6844 8.6844 9.0579 9.0579 9.2434 9.2434 9.3921 9.3921 11.2324 11.2324 12.6821 12.6821 13.4256 13.4256 13.5068 13.5068 k = 0.4615-0.2665 0.3768 ( 2301 PWs) bands (ev): -38.4720 -38.4720 -17.4923 -17.4923 -16.9965 -16.9965 -16.9838 -16.9838 1.2780 1.2780 5.6713 5.6713 8.0152 8.0152 8.2566 8.2566 8.3086 8.3086 8.6682 8.6682 9.0609 9.0609 9.2349 9.2349 9.3863 9.3863 11.2305 11.2305 12.6804 12.6804 13.3956 13.3956 13.4974 13.4974 k = 0.4712-0.2720 0.3847 ( 2301 PWs) bands (ev): -38.4720 -38.4720 -17.4924 -17.4924 -16.9966 -16.9966 -16.9838 -16.9838 1.2900 1.2900 5.6652 5.6652 8.0163 8.0163 8.2609 8.2609 8.3032 8.3032 8.6553 8.6553 9.0632 9.0632 9.2283 9.2283 9.3818 9.3818 11.2291 11.2291 12.6791 12.6791 13.3721 13.3721 13.4902 13.4902 k = 0.4808-0.2776 0.3925 ( 2293 PWs) bands (ev): -38.4720 -38.4720 -17.4925 -17.4925 -16.9967 -16.9967 -16.9839 -16.9839 1.2986 1.2986 5.6610 5.6610 8.0171 8.0171 8.2644 8.2644 8.2988 8.2988 8.6459 8.6459 9.0650 9.0650 9.2235 9.2235 9.3786 9.3786 11.2281 11.2281 12.6782 12.6782 13.3553 13.3553 13.4851 13.4851 k = 0.4904-0.2831 0.4004 ( 2293 PWs) bands (ev): -38.4720 -38.4720 -17.4925 -17.4925 -16.9968 -16.9968 -16.9839 -16.9839 1.3039 1.3039 5.6585 5.6585 8.0176 8.0176 8.2669 8.2669 8.2959 8.2959 8.6401 8.6401 9.0660 9.0660 9.2207 9.2207 9.3767 9.3767 11.2275 11.2275 12.6776 12.6776 13.3452 13.3452 13.4822 13.4822 k = 0.5000-0.2887 0.4082 ( 2298 PWs) bands (ev): -38.4720 -38.4720 -17.4926 -17.4926 -16.9968 -16.9968 -16.9840 -16.9840 1.3056 1.3056 5.6577 5.6577 8.0178 8.0178 8.2678 8.2678 8.2948 8.2948 8.6382 8.6382 9.0663 9.0663 9.2197 9.2197 9.3760 9.3760 11.2273 11.2273 12.6774 12.6774 13.3418 13.3418 13.4812 13.4812 k = 0.5000-0.2887 0.4082 ( 2298 PWs) bands (ev): -38.4720 -38.4720 -17.4926 -17.4926 -16.9968 -16.9968 -16.9840 -16.9840 1.3056 1.3056 5.6577 5.6577 8.0178 8.0178 8.2678 8.2678 8.2948 8.2948 8.6382 8.6382 9.0663 9.0663 9.2197 9.2197 9.3760 9.3760 11.2273 11.2273 12.6774 12.6774 13.3418 13.3418 13.4812 13.4812 k = 0.5000-0.2776 0.4161 ( 2288 PWs) bands (ev): -38.4720 -38.4720 -17.4926 -17.4925 -16.9968 -16.9967 -16.9839 -16.9839 1.3059 1.3062 5.6570 5.6603 7.9975 8.0203 8.2315 8.2449 8.3158 8.3403 8.6355 8.6412 9.0601 9.0714 9.2170 9.2227 9.3749 9.3776 11.2272 11.2328 12.6799 12.6801 13.3446 13.3462 13.4806 13.4808 k = 0.5000-0.2665 0.4240 ( 2290 PWs) bands (ev): -38.4720 -38.4720 -17.4926 -17.4924 -16.9968 -16.9966 -16.9840 -16.9839 1.3070 1.3076 5.6582 5.6648 7.9629 8.0023 8.1890 8.2179 8.3531 8.3930 8.6333 8.6443 9.0529 9.0748 9.2155 9.2250 9.3742 9.3805 11.2324 11.2435 12.6870 12.6874 13.3545 13.3577 13.4778 13.4794 k = 0.5000-0.2554 0.4318 ( 2296 PWs) bands (ev): -38.4720 -38.4720 -17.4927 -17.4924 -16.9969 -16.9965 -16.9840 -16.9840 1.3089 1.3099 5.6612 5.6713 7.9175 7.9638 8.1550 8.1924 8.3921 8.4436 8.6319 8.6475 9.0452 9.0763 9.2151 9.2253 9.3743 9.3855 11.2428 11.2594 12.6982 12.6988 13.3712 13.3760 13.4726 13.4764 k = 0.5000-0.2443 0.4397 ( 2298 PWs) bands (ev): -38.4720 -38.4720 -17.4927 -17.4924 -16.9969 -16.9964 -16.9841 -16.9840 1.3116 1.3129 5.6662 5.6797 7.8646 7.9098 8.1273 8.1670 8.4308 8.4896 8.6323 8.6507 9.0370 9.0758 9.2156 9.2230 9.3760 9.3935 11.2586 11.2805 12.7129 12.7136 13.3942 13.4003 13.4654 13.4712 k = 0.5000-0.2332 0.4475 ( 2306 PWs) bands (ev): -38.4720 -38.4720 -17.4928 -17.4923 -16.9969 -16.9963 -16.9842 -16.9841 1.3150 1.3167 5.6729 5.6900 7.8065 7.8463 8.1013 8.1401 8.4677 8.5284 8.6363 8.6542 9.0286 9.0736 9.2159 9.2177 9.3804 9.4048 11.2798 11.3068 12.7298 12.7308 13.4220 13.4292 13.4562 13.4639 k = 0.5000-0.2221 0.4554 ( 2306 PWs) bands (ev): -38.4720 -38.4720 -17.4928 -17.4923 -16.9968 -16.9962 -16.9842 -16.9842 1.3192 1.3212 5.6815 5.7023 7.7449 7.7775 8.0744 8.1110 8.5019 8.5567 8.6471 8.6582 9.0199 9.0700 9.2099 9.2149 9.3887 9.4194 11.3063 11.3382 12.7481 12.7493 13.4441 13.4521 13.4537 13.4590 k = 0.5000-0.2110 0.4632 ( 2306 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4922 -16.9968 -16.9960 -16.9843 -16.9843 1.3241 1.3263 5.6919 5.7165 7.6811 7.7058 8.0452 8.0793 8.5325 8.5726 8.6629 8.6663 9.0110 9.0654 9.2002 9.2121 9.4012 9.4366 11.3382 11.3746 12.7669 12.7684 13.4312 13.4428 13.4722 13.4731 k = 0.5000-0.1999 0.4711 ( 2302 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4921 -16.9967 -16.9958 -16.9844 -16.9844 1.3295 1.3321 5.7040 5.7327 7.6160 7.6324 8.0134 8.0450 8.5590 8.5793 8.6689 8.6906 9.0021 9.0600 9.1896 9.2073 9.4178 9.4557 11.3754 11.4159 12.7856 12.7874 13.4156 13.4292 13.4762 13.4792 k = 0.5000-0.1887 0.4789 ( 2298 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4920 -16.9966 -16.9956 -16.9845 -16.9845 1.3355 1.3384 5.7178 5.7507 7.5502 7.5582 7.9790 8.0082 8.5806 8.5816 8.6768 8.7158 8.9930 9.0541 9.1787 9.2009 9.4375 9.4759 11.4178 11.4621 12.8037 12.8059 13.3976 13.4133 13.4768 13.4817 k = 0.5000-0.1776 0.4868 ( 2302 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4920 -16.9965 -16.9954 -16.9847 -16.9846 1.3419 1.3451 5.7332 5.7707 7.4838 7.4841 7.9424 7.9693 8.5817 8.5971 8.6871 8.7398 8.9838 9.0479 9.1680 9.1935 9.4593 9.4967 11.4652 11.5126 12.8209 12.8237 13.3772 13.3951 13.4768 13.4830 k = 0.5000-0.1665 0.4946 ( 2298 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4919 -16.9964 -16.9952 -16.9848 -16.9848 1.3486 1.3521 5.7502 5.7926 7.4097 7.4184 7.9042 7.9290 8.5809 8.6087 8.6995 8.7617 8.9747 9.0415 9.1579 9.1857 9.4824 9.5176 11.5173 11.5675 12.8373 12.8407 13.3543 13.3745 13.4765 13.4837 k = 0.5000-0.1554 0.5025 ( 2298 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4918 -16.9963 -16.9949 -16.9849 -16.9849 1.3557 1.3594 5.7687 5.8163 7.3361 7.3534 7.8648 7.8876 8.5796 8.6165 8.7133 8.7816 8.9658 9.0350 9.1486 9.1779 9.5058 9.5381 11.5739 11.6261 12.8528 12.8567 13.3287 13.3513 13.4760 13.4843 k = 0.5000-0.1443 0.5103 ( 2302 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4918 -16.9962 -16.9947 -16.9851 -16.9851 1.3628 1.3668 5.7885 5.8419 7.2633 7.2894 7.8248 7.8459 8.5782 8.6216 8.7276 8.7994 8.9570 9.0284 9.1402 9.1704 9.5287 9.5578 11.6346 11.6884 12.8673 12.8719 13.3004 13.3256 13.4753 13.4846 k = 0.5000-0.1332 0.5182 ( 2298 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4917 -16.9960 -16.9945 -16.9852 -16.9852 1.3700 1.3743 5.8096 5.8693 7.1917 7.2268 7.7849 7.8044 8.5767 8.6250 8.7417 8.8155 8.9484 9.0218 9.1328 9.1633 9.5509 9.5765 11.6992 11.7538 12.8810 12.8862 13.2692 13.2972 13.4744 13.4847 k = 0.5000-0.1221 0.5260 ( 2298 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4917 -16.9959 -16.9942 -16.9854 -16.9853 1.3772 1.3817 5.8317 5.8984 7.1214 7.1659 7.7457 7.7638 8.5753 8.6272 8.7553 8.8301 8.9401 9.0152 9.1262 9.1568 9.5717 9.5939 11.7670 11.8217 12.8939 12.8997 13.2350 13.2660 13.4734 13.4847 k = 0.5000-0.1110 0.5339 ( 2298 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4916 -16.9957 -16.9940 -16.9856 -16.9855 1.3841 1.3889 5.8547 5.9291 7.0526 7.1071 7.7077 7.7247 8.5738 8.6286 8.7681 8.8434 8.9321 9.0086 9.1205 9.1510 9.5910 9.6100 11.8375 11.8918 12.9059 12.9124 13.1978 13.2320 13.4722 13.4845 k = 0.5000-0.0999 0.5417 ( 2294 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4916 -16.9956 -16.9937 -16.9858 -16.9856 1.3908 1.3958 5.8782 5.9614 6.9856 7.0508 7.6716 7.6875 8.5726 8.6296 8.7801 8.8556 8.9244 9.0019 9.1156 9.1458 9.6085 9.6246 11.9102 11.9634 12.9171 12.9242 13.1575 13.1953 13.4709 13.4842 k = 0.5000-0.0888 0.5496 ( 2296 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4915 -16.9955 -16.9935 -16.9860 -16.9857 1.3972 1.4023 5.9021 5.9950 6.9207 6.9975 7.6378 7.6528 8.5714 8.6302 8.7913 8.8669 8.9169 8.9952 9.1113 9.1413 9.6242 9.6376 11.9844 12.0358 12.9273 12.9350 13.1143 13.1559 13.4695 13.4838 k = 0.5000-0.0777 0.5574 ( 2304 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4915 -16.9954 -16.9933 -16.9862 -16.9859 1.4030 1.4083 5.9258 6.0297 6.8582 6.9475 7.6069 7.6211 8.5702 8.6305 8.8018 8.8774 8.9096 8.9884 9.1077 9.1374 9.6380 9.6491 12.0594 12.1082 12.9366 12.9449 13.0681 13.1141 13.4681 13.4833 k = 0.5000-0.0666 0.5653 ( 2298 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4914 -16.9953 -16.9930 -16.9863 -16.9860 1.4083 1.4138 5.9488 6.0652 6.7984 6.9016 7.5793 7.5928 8.5693 8.6307 8.8117 8.8873 8.9025 8.9817 9.1047 9.1341 9.6500 9.6591 12.1345 12.1800 12.9449 12.9536 13.0193 13.0701 13.4667 13.4828 k = 0.5000-0.0555 0.5731 ( 2292 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4914 -16.9951 -16.9928 -16.9865 -16.9860 1.4129 1.4185 5.9705 6.1009 6.7422 6.8605 7.5553 7.5683 8.5685 8.6308 8.8210 8.8956 8.8967 8.9748 9.1022 9.1313 9.6600 9.6675 12.2089 12.2500 12.9515 12.9609 12.9687 13.0249 13.4653 13.4822 k = 0.5000-0.0444 0.5810 ( 2292 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4914 -16.9951 -16.9926 -16.9866 -16.9861 1.4168 1.4225 5.9901 6.1358 6.6904 6.8248 7.5352 7.5478 8.5679 8.6309 8.8297 8.8887 8.9055 8.9679 9.1003 9.1292 9.6681 9.6743 12.2812 12.3166 12.9149 12.9587 12.9643 12.9818 13.4641 13.4817 k = 0.5000-0.0333 0.5888 ( 2292 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4913 -16.9950 -16.9925 -16.9867 -16.9862 1.4199 1.4257 6.0068 6.1685 6.6446 6.7957 7.5193 7.5316 8.5673 8.6309 8.8380 8.8818 8.9140 8.9608 9.0987 9.1275 9.6744 9.6795 12.3494 12.3777 12.8624 12.9317 12.9634 12.9748 13.4630 13.4812 k = 0.5000-0.0222 0.5967 ( 2292 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4913 -16.9949 -16.9924 -16.9868 -16.9862 1.4222 1.4280 6.0196 6.1964 6.6072 6.7739 7.5078 7.5198 8.5670 8.6308 8.8459 8.8749 8.9220 8.9538 9.0977 9.1263 9.6789 9.6833 12.4102 12.4296 12.8131 12.8923 12.9668 12.9779 13.4622 13.4808 k = 0.5000-0.0111 0.6045 ( 2292 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4913 -16.9949 -16.9923 -16.9869 -16.9863 1.4236 1.4294 6.0277 6.2160 6.5820 6.7605 7.5009 7.5128 8.5667 8.6308 8.8535 8.8679 8.9295 8.9469 9.0970 9.1256 9.6815 9.6855 12.4562 12.4662 12.7741 12.8631 12.9689 12.9800 13.4617 13.4806 k = 0.5000-0.0000 0.6124 ( 2268 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4912 -16.9948 -16.9922 -16.9868 -16.9862 1.4240 1.4299 6.0305 6.2232 6.5729 6.7559 7.4986 7.5104 8.5668 8.6309 8.8609 8.8610 8.9343 8.9426 9.0969 9.1255 9.6825 9.6863 12.4745 12.4799 12.7582 12.8520 12.9697 12.9808 13.4616 13.4805 k = 0.5000-0.0000 0.6124 ( 2268 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4912 -16.9948 -16.9922 -16.9868 -16.9862 1.4240 1.4299 6.0305 6.2232 6.5729 6.7559 7.4986 7.5104 8.5668 8.6309 8.8609 8.8610 8.9343 8.9426 9.0969 9.1255 9.6825 9.6863 12.4745 12.4799 12.7582 12.8520 12.9697 12.9808 13.4616 13.4805 k = 0.4934 0.0114 0.6124 ( 2291 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4913 -16.9949 -16.9923 -16.9869 -16.9863 1.4235 1.4295 6.0285 6.2193 6.5763 6.7574 7.5005 7.5125 8.5671 8.6311 8.8564 8.8657 8.9323 8.9451 9.0968 9.1255 9.6821 9.6860 12.4655 12.4734 12.7653 12.8558 12.9722 12.9825 13.4619 13.4807 k = 0.4868 0.0228 0.6124 ( 2295 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4913 -16.9949 -16.9924 -16.9868 -16.9862 1.4223 1.4282 6.0230 6.2087 6.5850 6.7613 7.5066 7.5191 8.5681 8.6319 8.8532 8.8707 8.9301 8.9498 9.0967 9.1261 9.6811 9.6854 12.4405 12.4547 12.7851 12.8671 12.9798 12.9879 13.4629 13.4813 k = 0.4803 0.0342 0.6124 ( 2295 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4913 -16.9950 -16.9924 -16.9867 -16.9861 1.4204 1.4262 6.0146 6.1937 6.5965 6.7664 7.5169 7.5302 8.5698 8.6332 8.8512 8.8756 8.9292 8.9549 9.0964 9.1270 9.6795 9.6843 12.4042 12.4256 12.8132 12.8843 12.9921 12.9974 13.4642 13.4822 k = 0.4737 0.0456 0.6124 ( 2295 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4913 -16.9950 -16.9925 -16.9866 -16.9860 1.4179 1.4237 6.0038 6.1758 6.6087 6.7719 7.5313 7.5455 8.5722 8.6349 8.8507 8.8806 8.9301 8.9602 9.0961 9.1283 9.6770 9.6826 12.3607 12.3888 12.8460 12.9054 13.0076 13.0123 13.4658 13.4830 k = 0.4671 0.0570 0.6124 ( 2296 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4913 -16.9951 -16.9926 -16.9865 -16.9859 1.4150 1.4208 5.9913 6.1565 6.6200 6.7770 7.5494 7.5649 8.5750 8.6369 8.8515 8.8855 8.9329 8.9657 9.0956 9.1301 9.6738 9.6805 12.3129 12.3468 12.8808 12.9288 13.0248 13.0337 13.4673 13.4838 k = 0.4605 0.0684 0.6124 ( 2297 PWs) bands (ev): -38.4721 -38.4720 -17.4929 -17.4913 -16.9952 -16.9928 -16.9863 -16.9857 1.4118 1.4176 5.9777 6.1367 6.6298 6.7812 7.5707 7.5875 8.5783 8.6393 8.8539 8.8903 8.9379 8.9712 9.0951 9.1324 9.6697 9.6778 12.2628 12.3013 12.9161 12.9534 13.0451 13.0594 13.4688 13.4844 k = 0.4539 0.0798 0.6124 ( 2295 PWs) bands (ev): -38.4721 -38.4720 -17.4928 -17.4913 -16.9952 -16.9929 -16.9862 -16.9856 1.4085 1.4141 5.9637 6.1173 6.6375 6.7843 7.5943 7.6127 8.5819 8.6419 8.8577 8.8949 8.9451 8.9768 9.0945 9.1352 9.6647 9.6746 12.2117 12.2541 12.9509 12.9788 13.0687 13.0883 13.4700 13.4846 k = 0.4474 0.0912 0.6124 ( 2295 PWs) bands (ev): -38.4721 -38.4720 -17.4928 -17.4913 -16.9953 -16.9930 -16.9860 -16.9854 1.4050 1.4106 5.9495 6.0985 6.6431 6.7861 7.6195 7.6396 8.5858 8.6446 8.8630 8.8990 8.9546 8.9824 9.0939 9.1387 9.6588 9.6709 12.1608 12.2062 12.9847 13.0051 13.0954 13.1193 13.4710 13.4846 k = 0.4408 0.1026 0.6124 ( 2295 PWs) bands (ev): -38.4721 -38.4720 -17.4928 -17.4912 -16.9954 -16.9931 -16.9858 -16.9852 1.4015 1.4070 5.9356 6.0807 6.6469 6.7868 7.6454 7.6671 8.5898 8.6475 8.8695 8.9029 8.9661 8.9882 9.0933 9.1429 9.6521 9.6666 12.1109 12.1588 13.0171 13.0319 13.1246 13.1517 13.4718 13.4843 k = 0.4342 0.1140 0.6124 ( 2300 PWs) bands (ev): -38.4721 -38.4720 -17.4928 -17.4912 -16.9955 -16.9933 -16.9857 -16.9851 1.3980 1.4035 5.9223 6.0643 6.6491 6.7865 7.6711 7.6943 8.5938 8.6504 8.8770 8.9063 8.9793 8.9940 9.0929 9.1479 9.6444 9.6618 12.0627 12.1127 13.0482 13.0591 13.1557 13.1848 13.4724 13.4837 k = 0.4276 0.1253 0.6124 ( 2298 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9956 -16.9934 -16.9856 -16.9849 1.3948 1.4002 5.9099 6.0492 6.6500 6.7855 7.6958 7.7205 8.5976 8.6532 8.8852 8.9095 8.9937 9.0000 9.0930 9.1537 9.6359 9.6566 12.0172 12.0687 13.0778 13.0864 13.1879 13.2181 13.4731 13.4831 k = 0.4211 0.1367 0.6124 ( 2298 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9957 -16.9935 -16.9854 -16.9848 1.3917 1.3971 5.8985 6.0357 6.6500 6.7840 7.7188 7.7449 8.6012 8.6559 8.8936 8.9124 9.0059 9.0084 9.0938 9.1603 9.6268 9.6511 11.9750 12.0277 13.1059 13.1130 13.2202 13.2511 13.4742 13.4829 k = 0.4145 0.1481 0.6124 ( 2299 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9958 -16.9936 -16.9853 -16.9846 1.3890 1.3943 5.8884 6.0239 6.6493 6.7822 7.7396 7.7669 8.6044 8.6584 8.9017 8.9150 9.0118 9.0222 9.0960 9.1674 9.6172 9.6455 11.9367 11.9903 13.1322 13.1383 13.2515 13.2828 13.4763 13.4837 k = 0.4079 0.1595 0.6124 ( 2307 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9959 -16.9937 -16.9852 -16.9845 1.3865 1.3918 5.8796 6.0137 6.6483 6.7804 7.7578 7.7860 8.6072 8.6606 8.9087 8.9177 9.0177 9.0336 9.1002 9.1748 9.6076 9.6398 11.9030 11.9572 13.1562 13.1616 13.2802 13.3123 13.4804 13.4868 k = 0.4013 0.1709 0.6124 ( 2309 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9959 -16.9938 -16.9851 -16.9844 1.3845 1.3898 5.8723 6.0054 6.6472 6.7786 7.7729 7.8020 8.6095 8.6625 8.9138 8.9209 9.0234 9.0413 9.1070 9.1821 9.5984 9.6345 11.8746 11.9292 13.1774 13.1823 13.3046 13.3378 13.4875 13.4936 k = 0.3947 0.1823 0.6124 ( 2308 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9960 -16.9938 -16.9850 -16.9843 1.3829 1.3881 5.8665 5.9988 6.6462 6.7772 7.7849 7.8146 8.6114 8.6640 8.9169 8.9246 9.0287 9.0453 9.1152 9.1887 9.5902 9.6299 11.8519 11.9067 13.1950 13.1997 13.3232 13.3574 13.4986 13.5055 k = 0.3882 0.1937 0.6124 ( 2315 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9960 -16.9939 -16.9850 -16.9843 1.3817 1.3869 5.8623 5.9941 6.6453 6.7760 7.7935 7.8236 8.6127 8.6651 8.9185 8.9278 9.0335 9.0463 9.1230 9.1940 9.5837 9.6262 11.8353 11.8903 13.2083 13.2129 13.3354 13.3702 13.5137 13.5220 k = 0.3816 0.2051 0.6124 ( 2315 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9960 -16.9939 -16.9850 -16.9843 1.3809 1.3862 5.8598 5.9913 6.6448 6.7753 7.7987 7.8291 8.6134 8.6658 8.9193 8.9298 9.0374 9.0456 9.1286 9.1974 9.5794 9.6239 11.8252 11.8803 13.2166 13.2213 13.3419 13.3769 13.5292 13.5402 k = 0.3750 0.2165 0.6124 ( 2319 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4913 -16.9960 -16.9939 -16.9850 -16.9843 1.3807 1.3859 5.8590 5.9904 6.6446 6.7750 7.8004 7.8309 8.6137 8.6660 8.9196 8.9305 9.0393 9.0447 9.1306 9.1986 9.5779 9.6230 11.8218 11.8769 13.2194 13.2242 13.3438 13.3789 13.5367 13.5507 k = 0.3750 0.2165 0.6124 ( 2319 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4913 -16.9960 -16.9939 -16.9850 -16.9843 1.3807 1.3859 5.8590 5.9904 6.6446 6.7750 7.8004 7.8309 8.6137 8.6660 8.9196 8.9305 9.0393 9.0447 9.1306 9.1986 9.5779 9.6230 11.8218 11.8769 13.2194 13.2242 13.3438 13.3789 13.5367 13.5507 k = 0.3683 0.2126 0.6014 ( 2307 PWs) bands (ev): -38.4721 -38.4721 -17.4926 -17.4911 -16.9959 -16.9937 -16.9848 -16.9841 1.3812 1.3866 5.8673 6.0163 6.5780 6.7277 7.7755 7.8055 8.6174 8.6709 8.9189 8.9508 9.0449 9.0476 9.1414 9.1928 9.5999 9.6446 11.8804 11.9358 13.2133 13.2153 13.3306 13.3672 13.5839 13.6067 k = 0.3616 0.2088 0.5905 ( 2307 PWs) bands (ev): -38.4721 -38.4721 -17.4925 -17.4910 -16.9959 -16.9936 -16.9847 -16.9839 1.3800 1.3855 5.8719 6.0385 6.5212 6.6900 7.7510 7.7807 8.6213 8.6761 8.9174 8.9666 9.0461 9.0537 9.1566 9.1872 9.6223 9.6666 11.9416 11.9973 13.2008 13.2009 13.3169 13.3548 13.5813 13.6078 k = 0.3549 0.2049 0.5796 ( 2309 PWs) bands (ev): -38.4722 -38.4721 -17.4924 -17.4909 -16.9958 -16.9935 -16.9845 -16.9837 1.3769 1.3825 5.8724 6.0542 6.4773 6.6628 7.7272 7.7565 8.6256 8.6816 8.9156 8.9773 9.0441 9.0638 9.1745 9.1821 9.6451 9.6890 12.0056 12.0613 13.1826 13.1844 13.3027 13.3415 13.5775 13.6041 k = 0.3482 0.2010 0.5686 ( 2309 PWs) bands (ev): -38.4722 -38.4722 -17.4923 -17.4907 -16.9958 -16.9934 -16.9843 -16.9835 1.3718 1.3774 5.8686 6.0604 6.4498 6.6465 7.7042 7.7332 8.6302 8.6874 8.9136 8.9832 9.0401 9.0772 9.1775 9.1936 9.6683 9.7118 12.0722 12.1280 13.1616 13.1648 13.2881 13.3274 13.5740 13.6004 k = 0.3415 0.1972 0.5577 ( 2309 PWs) bands (ev): -38.4722 -38.4722 -17.4921 -17.4906 -16.9957 -16.9934 -16.9841 -16.9833 1.3644 1.3700 5.8612 6.0553 6.4407 6.6409 7.6820 7.7107 8.6349 8.6934 8.9116 8.9857 9.0349 9.0919 9.1741 9.2131 9.6919 9.7350 12.1416 12.1972 13.1386 13.1429 13.2732 13.3126 13.5713 13.5971 k = 0.3348 0.1933 0.5468 ( 2301 PWs) bands (ev): -38.4722 -38.4722 -17.4919 -17.4904 -16.9956 -16.9933 -16.9838 -16.9830 1.3545 1.3601 5.8512 6.0402 6.4491 6.6454 7.6608 7.6893 8.6399 8.6996 8.9097 8.9862 9.0288 9.1058 9.1727 9.2325 9.7160 9.7586 12.2137 12.2691 13.1137 13.1191 13.2580 13.2972 13.5694 13.5942 k = 0.3281 0.1894 0.5358 ( 2305 PWs) bands (ev): -38.4723 -38.4722 -17.4918 -17.4903 -16.9955 -16.9932 -16.9835 -16.9827 1.3419 1.3475 5.8397 6.0189 6.4714 6.6589 7.6407 7.6690 8.6450 8.7059 8.9079 8.9853 9.0221 9.1163 9.1751 9.2516 9.7405 9.7827 12.2883 12.3434 13.0873 13.0936 13.2425 13.2812 13.5685 13.5920 k = 0.3214 0.1856 0.5249 ( 2305 PWs) bands (ev): -38.4723 -38.4723 -17.4916 -17.4901 -16.9954 -16.9931 -16.9832 -16.9824 1.3266 1.3321 5.8283 5.9954 6.5039 6.6802 7.6216 7.6498 8.6502 8.7122 8.9063 8.9837 9.0150 9.1217 9.1826 9.2701 9.7654 9.8071 12.3653 12.4200 13.0596 13.0666 13.2270 13.2647 13.5686 13.5904 k = 0.3147 0.1817 0.5140 ( 2305 PWs) bands (ev): -38.4723 -38.4723 -17.4914 -17.4899 -16.9953 -16.9930 -16.9829 -16.9821 1.3084 1.3138 5.8181 5.9728 6.5434 6.7081 7.6038 7.6318 8.6555 8.7185 8.9049 8.9815 9.0075 9.1224 9.1946 9.2880 9.7908 9.8320 12.4445 12.4987 13.0306 13.0383 13.2115 13.2480 13.5698 13.5896 k = 0.3080 0.1778 0.5030 ( 2305 PWs) bands (ev): -38.4724 -38.4724 -17.4912 -17.4897 -16.9952 -16.9929 -16.9825 -16.9818 1.2872 1.2924 5.8105 5.9534 6.5879 6.7417 7.5873 7.6151 8.6608 8.7247 8.9038 8.9790 8.9998 9.1203 9.2091 9.3053 9.8167 9.8574 12.5255 12.5791 13.0005 13.0087 13.1963 13.2312 13.5721 13.5896 k = 0.3013 0.1740 0.4921 ( 2305 PWs) bands (ev): -38.4724 -38.4724 -17.4910 -17.4895 -16.9950 -16.9928 -16.9822 -16.9815 1.2630 1.2680 5.8063 5.9384 6.6362 6.7799 7.5720 7.5997 8.6660 8.7306 8.9030 8.9763 8.9920 9.1169 9.2246 9.3220 9.8430 9.8832 12.6078 12.6607 12.9693 12.9781 13.1817 13.2148 13.5754 13.5902 k = 0.2946 0.1701 0.4811 ( 2305 PWs) bands (ev): -38.4725 -38.4724 -17.4908 -17.4893 -16.9948 -16.9927 -16.9818 -16.9811 1.2358 1.2406 5.8063 5.9285 6.6873 6.8221 7.5581 7.5857 8.6713 8.7362 8.9025 8.9734 8.9843 9.1128 9.2405 9.3382 9.8699 9.9095 12.6905 12.7426 12.9373 12.9465 13.1681 13.1991 13.5797 13.5916 k = 0.2879 0.1662 0.4702 ( 2309 PWs) bands (ev): -38.4725 -38.4725 -17.4905 -17.4891 -16.9946 -16.9926 -16.9814 -16.9808 1.2056 1.2102 5.8109 5.9244 6.7407 6.8674 7.5457 7.5732 8.6763 8.7414 8.9023 8.9703 8.9768 9.1085 9.2565 9.3539 9.8972 9.9363 12.7724 12.8229 12.9051 12.9140 13.1564 13.1850 13.5849 13.5936 k = 0.2812 0.1624 0.4593 ( 2313 PWs) bands (ev): -38.4725 -38.4725 -17.4903 -17.4889 -16.9944 -16.9924 -16.9810 -16.9804 1.1724 1.1768 5.8206 5.9263 6.7958 6.9153 7.5348 7.5622 8.6813 8.7461 8.9021 8.9671 8.9700 9.1044 9.2724 9.3692 9.9250 9.9635 12.8504 12.8661 12.8812 12.9057 13.1485 13.1745 13.5910 13.5960 k = 0.2746 0.1585 0.4483 ( 2309 PWs) bands (ev): -38.4726 -38.4726 -17.4900 -17.4886 -16.9941 -16.9922 -16.9806 -16.9801 1.1365 1.1406 5.8357 5.9343 6.8524 6.9655 7.5254 7.5527 8.6862 8.7502 8.9016 8.9638 8.9644 9.1005 9.2883 9.3843 9.9534 9.9913 12.8340 12.8461 12.9216 12.9716 13.1488 13.1724 13.5980 13.5990 k = 0.2679 0.1546 0.4374 ( 2309 PWs) bands (ev): -38.4727 -38.4726 -17.4897 -17.4884 -16.9938 -16.9920 -16.9803 -16.9797 1.0980 1.1018 5.8562 5.9484 6.9101 7.0173 7.5175 7.5448 8.6909 8.7536 8.9003 8.9603 8.9606 9.0971 9.3042 9.3992 9.9823 10.0196 12.7991 12.8115 12.9736 13.0191 13.1656 13.1887 13.6023 13.6059 k = 0.2612 0.1508 0.4265 ( 2311 PWs) bands (ev): -38.4727 -38.4727 -17.4894 -17.4881 -16.9935 -16.9917 -16.9799 -16.9794 1.0570 1.0606 5.8821 5.9685 6.9686 7.0705 7.5113 7.5385 8.6955 8.7562 8.8975 8.9567 8.9594 9.0942 9.3202 9.4141 10.0117 10.0483 12.7634 12.7762 12.9993 13.0376 13.2058 13.2302 13.6059 13.6149 k = 0.2545 0.1469 0.4155 ( 2305 PWs) bands (ev): -38.4728 -38.4727 -17.4890 -17.4878 -16.9931 -16.9914 -16.9795 -16.9790 1.0137 1.0170 5.9135 5.9946 7.0274 7.1245 7.5068 7.5339 8.6999 8.7580 8.8930 8.9530 8.9614 9.0922 9.3365 9.4292 10.0417 10.0776 12.7273 12.7405 13.0042 13.0362 13.2616 13.2852 13.6098 13.6254 k = 0.2478 0.1430 0.4046 ( 2305 PWs) bands (ev): -38.4728 -38.4728 -17.4887 -17.4875 -16.9927 -16.9911 -16.9791 -16.9787 0.9684 0.9714 5.9501 6.0262 7.0863 7.1788 7.5041 7.5312 8.7042 8.7590 8.8869 8.9491 8.9664 9.0911 9.3531 9.4446 10.0722 10.1074 12.6907 12.7044 12.9987 13.0261 13.3202 13.3397 13.6143 13.6377 k = 0.2411 0.1392 0.3937 ( 2313 PWs) bands (ev): -38.4729 -38.4729 -17.4884 -17.4872 -16.9923 -16.9908 -16.9788 -16.9784 0.9213 0.9241 5.9918 6.0633 7.1447 7.2330 7.5033 7.5304 8.7083 8.7593 8.8795 8.9450 8.9744 9.0911 9.3702 9.4605 10.1031 10.1376 12.6539 12.6681 12.9885 13.0121 13.3725 13.3853 13.6196 13.6519 k = 0.2344 0.1353 0.3827 ( 2305 PWs) bands (ev): -38.4729 -38.4729 -17.4880 -17.4869 -16.9918 -16.9904 -16.9784 -16.9780 0.8726 0.8751 6.0383 6.1056 7.2022 7.2865 7.5047 7.5319 8.7124 8.7590 8.8714 8.9407 8.9849 9.0926 9.3882 9.4771 10.1346 10.1683 12.6171 12.6318 12.9758 12.9962 13.4130 13.4181 13.6261 13.6673 k = 0.2277 0.1315 0.3718 ( 2305 PWs) bands (ev): -38.4730 -38.4730 -17.4876 -17.4866 -16.9913 -16.9900 -16.9780 -16.9777 0.8226 0.8248 6.0894 6.1526 7.2581 7.3383 7.5086 7.5361 8.7164 8.7580 8.8629 8.9361 8.9979 9.0958 9.4070 9.4946 10.1666 10.1994 12.5802 12.5954 12.9616 12.9792 13.4369 13.4385 13.6333 13.6818 k = 0.2210 0.1276 0.3609 ( 2299 PWs) bands (ev): -38.4731 -38.4731 -17.4872 -17.4862 -16.9908 -16.9895 -16.9777 -16.9774 0.7715 0.7735 6.1448 6.2042 7.3113 7.3870 7.5156 7.5439 8.7204 8.7565 8.8541 8.9313 9.0133 9.1009 9.4270 9.5133 10.1992 10.2310 12.5435 12.5592 12.9465 12.9612 13.4427 13.4487 13.6400 13.6930 k = 0.2143 0.1237 0.3499 ( 2307 PWs) bands (ev): -38.4731 -38.4731 -17.4868 -17.4859 -16.9903 -16.9891 -16.9774 -16.9771 0.7195 0.7214 6.2042 6.2598 7.3603 7.4306 7.5268 7.5572 8.7242 8.7545 8.8452 8.9261 9.0311 9.1083 9.4482 9.5333 10.2321 10.2630 12.5070 12.5233 12.9303 12.9424 13.4375 13.4455 13.6440 13.6992 k = 0.2076 0.1199 0.3390 ( 2299 PWs) bands (ev): -38.4732 -38.4732 -17.4864 -17.4855 -16.9897 -16.9885 -16.9770 -16.9768 0.6670 0.6687 6.2672 6.3193 7.4032 7.4662 7.5440 7.5782 8.7280 8.7521 8.8364 8.9207 9.0516 9.1185 9.4711 9.5550 10.2655 10.2954 12.4711 12.4879 12.9134 12.9227 13.4234 13.4318 13.6444 13.7003 k = 0.2009 0.1160 0.3281 ( 2299 PWs) bands (ev): -38.4733 -38.4733 -17.4860 -17.4851 -16.9890 -16.9880 -16.9767 -16.9765 0.6142 0.6157 6.3334 6.3820 7.4379 7.4925 7.5684 7.6078 8.7317 8.7493 8.8277 8.9149 9.0748 9.1318 9.4957 9.5786 10.2992 10.3281 12.4357 12.4531 12.8954 12.9021 13.4023 13.4101 13.6408 13.6970 k = 0.1942 0.1121 0.3171 ( 2295 PWs) bands (ev): -38.4733 -38.4733 -17.4855 -17.4848 -16.9884 -16.9874 -16.9764 -16.9762 0.5612 0.5625 6.4025 6.4477 7.4644 7.5118 7.5998 7.6434 8.7352 8.7463 8.8192 8.9088 9.1009 9.1486 9.5223 9.6042 10.3333 10.3610 12.4011 12.4191 12.8763 12.8802 13.3760 13.3827 13.6336 13.6900 k = 0.1875 0.1083 0.3062 ( 2295 PWs) bands (ev): -38.4734 -38.4734 -17.4851 -17.4844 -16.9878 -16.9869 -16.9762 -16.9760 0.5083 0.5095 6.4741 6.5159 7.4849 7.5274 7.6355 7.6810 8.7384 8.7429 8.8109 8.9024 9.1303 9.1694 9.5511 9.6322 10.3676 10.3941 12.3674 12.3860 12.8559 12.8571 13.3462 13.3517 13.6233 13.6800 k = 0.1808 0.1044 0.2953 ( 2293 PWs) bands (ev): -38.4735 -38.4735 -17.4847 -17.4840 -16.9871 -16.9862 -16.9759 -16.9757 0.4558 0.4568 6.5478 6.5861 7.5022 7.5416 7.6723 7.7182 8.7393 8.7412 8.8028 8.8956 9.1631 9.1947 9.5824 9.6629 10.4021 10.4274 12.3349 12.3542 12.8323 12.8339 13.3145 13.3187 13.6101 13.6674 k = 0.1741 0.1005 0.2843 ( 2293 PWs) bands (ev): -38.4736 -38.4735 -17.4842 -17.4836 -16.9864 -16.9856 -16.9757 -16.9755 0.4037 0.4046 6.6230 6.6580 7.5181 7.5554 7.7082 7.7535 8.7355 8.7435 8.7950 8.8885 9.1996 9.2248 9.6162 9.6964 10.4367 10.4607 12.3037 12.3236 12.8059 12.8102 13.2824 13.2853 13.5941 13.6521 k = 0.1674 0.0967 0.2734 ( 2293 PWs) bands (ev): -38.4736 -38.4736 -17.4838 -17.4833 -16.9857 -16.9850 -16.9754 -16.9753 0.3523 0.3531 6.6994 6.7310 7.5336 7.5696 7.7418 7.7861 8.7314 8.7452 8.7873 8.8810 9.2399 9.2601 9.6529 9.7330 10.4713 10.4940 12.2741 12.2947 12.7777 12.7847 13.2509 13.2526 13.5754 13.6343 k = 0.1607 0.0928 0.2624 ( 2293 PWs) bands (ev): -38.4737 -38.4737 -17.4834 -17.4829 -16.9850 -16.9843 -16.9752 -16.9751 0.3017 0.3024 6.7765 6.8046 7.5492 7.5842 7.7725 7.8154 8.7270 8.7462 8.7798 8.8732 9.2843 9.3007 9.6926 9.7728 10.5059 10.5271 12.2463 12.2675 12.7478 12.7573 13.2208 13.2216 13.5540 13.6139 k = 0.1540 0.0889 0.2515 ( 2293 PWs) bands (ev): -38.4738 -38.4738 -17.4829 -17.4825 -16.9842 -16.9837 -16.9751 -16.9749 0.2522 0.2528 6.8538 6.8785 7.5653 7.5995 7.7999 7.8414 8.7224 8.7464 8.7724 8.8650 9.3327 9.3468 9.7353 9.8159 10.5402 10.5599 12.2205 12.2424 12.7164 12.7284 13.1927 13.1928 13.5300 13.5908 k = 0.1473 0.0851 0.2406 ( 2291 PWs) bands (ev): -38.4738 -38.4738 -17.4825 -17.4821 -16.9835 -16.9830 -16.9749 -16.9748 0.2038 0.2043 6.9308 6.9521 7.5819 7.6155 7.8239 7.8641 8.7176 8.7459 8.7652 8.8565 9.3852 9.3984 9.7813 9.8624 10.5740 10.5922 12.1970 12.2197 12.6838 12.6980 13.1666 13.1669 13.5034 13.5650 k = 0.1406 0.0812 0.2296 ( 2291 PWs) bands (ev): -38.4739 -38.4739 -17.4821 -17.4817 -16.9827 -16.9823 -16.9747 -16.9746 0.1568 0.1572 7.0070 7.0249 7.5991 7.6321 7.8446 7.8835 8.7125 8.7445 8.7580 8.8477 9.4418 9.4553 9.8304 9.9123 10.6073 10.6239 12.1763 12.1995 12.6504 12.6667 13.1430 13.1435 13.4741 13.5366 k = 0.1339 0.0773 0.2187 ( 2289 PWs) bands (ev): -38.4740 -38.4740 -17.4817 -17.4814 -16.9820 -16.9816 -16.9745 -16.9745 0.1111 0.1115 7.0819 7.0964 7.6169 7.6493 7.8621 7.8998 8.7072 8.7425 8.7509 8.8386 9.5026 9.5175 9.8827 9.9656 10.6399 10.6547 12.1584 12.1823 12.6167 12.6349 13.1221 13.1223 13.4423 13.5055 k = 0.1272 0.0735 0.2078 ( 2289 PWs) bands (ev): -38.4740 -38.4740 -17.4813 -17.4810 -16.9813 -16.9810 -16.9744 -16.9743 0.0671 0.0674 7.1551 7.1663 7.6353 7.6671 7.8767 7.9133 8.7016 8.7397 8.7438 8.8292 9.5673 9.5846 9.9381 10.0220 10.6714 10.6846 12.1438 12.1683 12.5834 12.6034 13.1033 13.1035 13.4081 13.4718 k = 0.1205 0.0696 0.1968 ( 2297 PWs) bands (ev): -38.4741 -38.4741 -17.4809 -17.4807 -16.9806 -16.9803 -16.9743 -16.9742 0.0246 0.0249 7.2260 7.2340 7.6542 7.6853 7.8887 7.9242 8.6959 8.7361 8.7366 8.8193 9.6360 9.6564 9.9962 10.0813 10.7018 10.7132 12.1327 12.1577 12.5509 12.5727 13.0861 13.0871 13.3715 13.4357 k = 0.1138 0.0657 0.1859 ( 2297 PWs) bands (ev): -38.4742 -38.4742 -17.4805 -17.4803 -16.9799 -16.9797 -16.9741 -16.9741 -0.0160 -0.0158 7.2942 7.2992 7.6736 7.7040 7.8984 7.9328 8.6901 8.7294 8.7321 8.8093 9.7084 9.7324 10.0571 10.1431 10.7307 10.7405 12.1255 12.1509 12.5200 12.5435 13.0704 13.0725 13.3328 13.3974 k = 0.1071 0.0619 0.1750 ( 2293 PWs) bands (ev): -38.4742 -38.4742 -17.4802 -17.4800 -16.9792 -16.9790 -16.9740 -16.9740 -0.0548 -0.0546 7.3593 7.3615 7.6934 7.7231 7.9060 7.9396 8.6842 8.7222 8.7275 8.7990 9.7844 9.8124 10.1203 10.2071 10.7581 10.7661 12.1224 12.1481 12.4913 12.5166 13.0559 13.0595 13.2921 13.3570 k = 0.1004 0.0580 0.1640 ( 2293 PWs) bands (ev): -38.4743 -38.4743 -17.4798 -17.4797 -16.9786 -16.9784 -16.9739 -16.9739 -0.0916 -0.0915 7.4205 7.4209 7.7135 7.7423 7.9120 7.9447 8.6783 8.7149 8.7224 8.7884 9.8637 9.8959 10.1853 10.2726 10.7835 10.7900 12.1237 12.1495 12.4654 12.4925 13.0421 13.0477 13.2497 13.3149 k = 0.0938 0.0541 0.1531 ( 2293 PWs) bands (ev): -38.4743 -38.4743 -17.4795 -17.4794 -16.9779 -16.9778 -16.9738 -16.9738 -0.1264 -0.1263 7.4759 7.4785 7.7339 7.7617 7.9166 7.9485 8.6724 8.7076 8.7169 8.7777 9.9460 9.9823 10.2517 10.3391 10.8070 10.8119 12.1296 12.1553 12.4429 12.4719 13.0287 13.0369 13.2059 13.2716 k = 0.0871 0.0503 0.1422 ( 2301 PWs) bands (ev): -38.4744 -38.4744 -17.4792 -17.4791 -16.9774 -16.9773 -16.9737 -16.9737 -0.1591 -0.1591 7.5276 7.5319 7.7544 7.7812 7.9201 7.9513 8.6667 8.7003 8.7111 8.7667 10.0309 10.0710 10.3188 10.4058 10.8283 10.8317 12.1400 12.1653 12.4246 12.4557 13.0149 13.0266 13.1613 13.2278 k = 0.0804 0.0464 0.1312 ( 2303 PWs) bands (ev): -38.4744 -38.4744 -17.4789 -17.4788 -16.9768 -16.9767 -16.9737 -16.9736 -0.1897 -0.1896 7.5751 7.5808 7.7750 7.8007 7.9228 7.9532 8.6612 8.6931 8.7050 8.7557 10.1178 10.1613 10.3861 10.4720 10.8475 10.8495 12.1550 12.1796 12.4112 12.4445 12.9999 13.0162 13.1166 13.1845 k = 0.0737 0.0425 0.1203 ( 2297 PWs) bands (ev): -38.4745 -38.4745 -17.4786 -17.4785 -16.9763 -16.9762 -16.9735 -16.9735 -0.2180 -0.2179 7.6185 7.6249 7.7956 7.8201 7.9249 7.9546 8.6560 8.6860 8.6988 8.7446 10.2061 10.2525 10.4529 10.5369 10.8645 10.8653 12.1742 12.1979 12.4036 12.4392 12.9825 13.0046 13.0733 13.1433 k = 0.0670 0.0387 0.1094 ( 2299 PWs) bands (ev): -38.4745 -38.4745 -17.4784 -17.4783 -16.9758 -16.9757 -16.9735 -16.9735 -0.2440 -0.2440 7.6574 7.6641 7.8160 7.8392 7.9267 7.9556 8.6512 8.6791 8.6924 8.7335 10.2949 10.3432 10.5184 10.5996 10.8790 10.8793 12.1971 12.2194 12.4028 12.4408 12.9609 12.9877 13.0357 13.1062 k = 0.0603 0.0348 0.0984 ( 2297 PWs) bands (ev): -38.4746 -38.4746 -17.4781 -17.4781 -16.9753 -16.9753 -16.9734 -16.9734 -0.2677 -0.2677 7.6918 7.6981 7.8361 7.8579 7.9283 7.9564 8.6469 8.6727 8.6862 8.7226 10.3831 10.4324 10.5819 10.6592 10.8909 10.8921 12.2227 12.2434 12.4099 12.4502 12.9340 12.9592 13.0111 13.0751 k = 0.0536 0.0309 0.0875 ( 2293 PWs) bands (ev): -38.4746 -38.4746 -17.4779 -17.4779 -16.9749 -16.9749 -16.9734 -16.9733 -0.2890 -0.2890 7.7216 7.7272 7.8557 7.8760 7.9301 7.9570 8.6433 8.6666 8.6800 8.7118 10.4695 10.5183 10.6427 10.7147 10.9011 10.9031 12.2500 12.2688 12.4260 12.4683 12.9020 12.9227 12.9963 13.0503 k = 0.0469 0.0271 0.0765 ( 2287 PWs) bands (ev): -38.4746 -38.4746 -17.4777 -17.4777 -16.9745 -16.9745 -16.9733 -16.9733 -0.3079 -0.3079 7.7469 7.7514 7.8744 7.8931 7.9322 7.9576 8.6403 8.6611 8.6740 8.7014 10.5526 10.5989 10.7003 10.7654 10.9100 10.9126 12.2778 12.2945 12.4519 12.4955 12.8675 12.8865 12.9842 13.0302 k = 0.0402 0.0232 0.0656 ( 2287 PWs) bands (ev): -38.4747 -38.4747 -17.4775 -17.4775 -16.9742 -16.9741 -16.9733 -16.9733 -0.3243 -0.3243 7.7678 7.7711 7.8920 7.9088 7.9346 7.9582 8.6381 8.6563 8.6683 8.6913 10.6303 10.6716 10.7547 10.8104 10.9178 10.9208 12.3050 12.3193 12.4875 12.5316 12.8339 12.8548 12.9718 13.0128 k = 0.0335 0.0193 0.0547 ( 2279 PWs) bands (ev): -38.4747 -38.4747 -17.4773 -17.4773 -16.9738 -16.9738 -16.9732 -16.9732 -0.3383 -0.3383 7.7846 7.7868 7.9079 7.9227 7.9376 7.9585 8.6368 8.6523 8.6630 8.6819 10.7004 10.7334 10.8060 10.8494 10.9251 10.9282 12.3308 12.3421 12.5318 12.5760 12.8052 12.8304 12.9578 12.9960 k = 0.0268 0.0155 0.0437 ( 2275 PWs) bands (ev): -38.4747 -38.4747 -17.4772 -17.4772 -16.9736 -16.9736 -16.9732 -16.9732 -0.3497 -0.3497 7.7976 7.7988 7.9219 7.9343 7.9409 7.9586 8.6365 8.6492 8.6582 8.6731 10.7601 10.7818 10.8536 10.8823 10.9324 10.9350 12.3538 12.3616 12.5832 12.6272 12.7849 12.8160 12.9410 12.9781 k = 0.0201 0.0116 0.0328 ( 2273 PWs) bands (ev): -38.4747 -38.4747 -17.4771 -17.4771 -16.9734 -16.9734 -16.9732 -16.9732 -0.3586 -0.3586 7.8071 7.8076 7.9335 7.9432 7.9445 7.9583 8.6373 8.6470 8.6541 8.6650 10.8064 10.8170 10.8952 10.9096 10.9397 10.9414 12.3726 12.3767 12.6398 12.6833 12.7765 12.8132 12.9207 12.9578 k = 0.0134 0.0077 0.0219 ( 2277 PWs) bands (ev): -38.4747 -38.4747 -17.4771 -17.4771 -16.9733 -16.9733 -16.9732 -16.9732 -0.3650 -0.3650 7.8135 7.8136 7.9425 7.9480 7.9494 7.9574 8.6391 8.6457 8.6506 8.6577 10.8371 10.8403 10.9270 10.9317 10.9466 10.9472 12.3856 12.3870 12.6997 12.7422 12.7816 12.8218 12.8967 12.9343 k = 0.0067 0.0039 0.0109 ( 2277 PWs) bands (ev): -38.4747 -38.4747 -17.4770 -17.4770 -16.9732 -16.9732 -16.9732 -16.9732 -0.3689 -0.3689 7.8171 7.8172 7.9489 7.9511 7.9526 7.9557 8.6421 8.6455 8.6480 8.6514 10.8533 10.8537 10.9467 10.9473 10.9515 10.9515 12.3926 12.3928 12.7610 12.7987 12.7992 12.8362 12.8734 12.9084 k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -38.4747 -38.4747 -17.4770 -17.4770 -16.9732 -16.9732 -16.9732 -16.9732 -0.3701 -0.3701 7.8183 7.8183 7.9530 7.9530 7.9530 7.9530 8.6462 8.6462 8.6462 8.6462 10.8581 10.8581 10.9532 10.9532 10.9532 10.9532 12.3947 12.3947 12.8191 12.8191 12.8191 12.8191 12.8861 12.8861 k = 0.0000 0.0000 0.0000 ( 2277 PWs) bands (ev): -38.4747 -38.4747 -17.4770 -17.4770 -16.9732 -16.9732 -16.9732 -16.9732 -0.3701 -0.3701 7.8183 7.8183 7.9530 7.9530 7.9530 7.9530 8.6462 8.6462 8.6462 8.6462 10.8581 10.8581 10.9532 10.9532 10.9532 10.9532 12.3947 12.3947 12.8191 12.8191 12.8191 12.8191 12.8861 12.8861 k = 0.0111 0.0064 0.0045 ( 2277 PWs) bands (ev): -38.4747 -38.4747 -17.4770 -17.4770 -16.9732 -16.9732 -16.9732 -16.9732 -0.3688 -0.3688 7.8171 7.8171 7.9489 7.9518 7.9518 7.9558 8.6419 8.6467 8.6467 8.6517 10.8533 10.8533 10.9465 10.9465 10.9517 10.9518 12.3927 12.3927 12.7607 12.8038 12.8038 12.8135 12.8970 12.9028 k = 0.0222 0.0128 0.0091 ( 2277 PWs) bands (ev): -38.4747 -38.4747 -17.4771 -17.4771 -16.9733 -16.9733 -16.9732 -16.9732 -0.3649 -0.3649 7.8135 7.8135 7.9434 7.9481 7.9481 7.9571 8.6388 8.6482 8.6482 8.6583 10.8372 10.8372 10.9287 10.9287 10.9473 10.9476 12.3871 12.3871 12.7030 12.7592 12.7739 12.7739 12.9377 12.9379 k = 0.0333 0.0192 0.0136 ( 2271 PWs) bands (ev): -38.4747 -38.4747 -17.4771 -17.4771 -16.9734 -16.9734 -16.9732 -16.9732 -0.3583 -0.3583 7.8073 7.8073 7.9367 7.9420 7.9420 7.9569 8.6369 8.6506 8.6506 8.6659 10.8054 10.8054 10.9057 10.9057 10.9399 10.9406 12.3787 12.3787 12.6490 12.7068 12.7406 12.7406 12.9815 12.9815 k = 0.0444 0.0257 0.0181 ( 2265 PWs) bands (ev): -38.4747 -38.4747 -17.4772 -17.4772 -16.9736 -16.9736 -16.9732 -16.9732 -0.3490 -0.3490 7.7985 7.7985 7.9289 7.9336 7.9336 7.9553 8.6362 8.6540 8.6540 8.6743 10.7541 10.7541 10.8829 10.8829 10.9297 10.9309 12.3685 12.3685 12.5994 12.6582 12.7072 12.7072 13.0327 13.0327 k = 0.0556 0.0321 0.0227 ( 2283 PWs) bands (ev): -38.4747 -38.4747 -17.4774 -17.4774 -16.9739 -16.9739 -16.9732 -16.9732 -0.3372 -0.3372 7.7869 7.7869 7.9199 7.9230 7.9230 7.9522 8.6367 8.6581 8.6581 8.6836 10.6851 10.6851 10.8609 10.8609 10.9165 10.9185 12.3574 12.3574 12.5544 12.6139 12.6758 12.6758 13.0904 13.0904 k = 0.0667 0.0385 0.0272 ( 2292 PWs) bands (ev): -38.4747 -38.4747 -17.4775 -17.4775 -16.9743 -16.9743 -16.9732 -16.9732 -0.3228 -0.3228 7.7721 7.7721 7.9100 7.9103 7.9103 7.9477 8.6383 8.6629 8.6629 8.6935 10.6026 10.6026 10.8386 10.8386 10.9006 10.9035 12.3465 12.3465 12.5142 12.5741 12.6474 12.6474 13.1541 13.1542 k = 0.0778 0.0449 0.0318 ( 2298 PWs) bands (ev): -38.4746 -38.4746 -17.4777 -17.4777 -16.9746 -16.9746 -16.9733 -16.9733 -0.3058 -0.3058 7.7539 7.7539 7.8960 7.8960 7.8993 7.9419 8.6410 8.6685 8.6685 8.7040 10.5102 10.5102 10.8149 10.8149 10.8819 10.8861 12.3364 12.3364 12.4788 12.5389 12.6229 12.6229 13.2230 13.2230 k = 0.0889 0.0513 0.0363 ( 2307 PWs) bands (ev): -38.4746 -38.4746 -17.4779 -17.4779 -16.9751 -16.9751 -16.9733 -16.9733 -0.2863 -0.2863 7.7317 7.7317 7.8803 7.8803 7.8878 7.9348 8.6447 8.6746 8.6746 8.7149 10.4111 10.4111 10.7894 10.7894 10.8606 10.8663 12.3276 12.3276 12.4485 12.5083 12.6022 12.6022 13.2962 13.2962 k = 0.1000 0.0577 0.0408 ( 2307 PWs) bands (ev): -38.4746 -38.4746 -17.4782 -17.4782 -16.9755 -16.9755 -16.9733 -16.9733 -0.2643 -0.2643 7.7051 7.7051 7.8637 7.8637 7.8757 7.9265 8.6494 8.6812 8.6812 8.7263 10.3075 10.3075 10.7622 10.7622 10.8369 10.8445 12.3207 12.3207 12.4230 12.4824 12.5853 12.5853 13.3731 13.3731 k = 0.1111 0.0642 0.0454 ( 2307 PWs) bands (ev): -38.4745 -38.4745 -17.4784 -17.4784 -16.9760 -16.9760 -16.9733 -16.9733 -0.2398 -0.2398 7.6735 7.6735 7.8464 7.8464 7.8630 7.9172 8.6549 8.6882 8.6882 8.7378 10.2017 10.2017 10.7335 10.7335 10.8110 10.8207 12.3161 12.3161 12.4024 12.4611 12.5718 12.5718 13.4532 13.4532 k = 0.1222 0.0706 0.0499 ( 2304 PWs) bands (ev): -38.4745 -38.4745 -17.4786 -17.4786 -16.9766 -16.9766 -16.9734 -16.9734 -0.2129 -0.2129 7.6364 7.6364 7.8288 7.8288 7.8500 7.9069 8.6610 8.6954 8.6954 8.7496 10.0956 10.0956 10.7034 10.7034 10.7832 10.7952 12.3140 12.3140 12.3866 12.4443 12.5614 12.5614 13.5359 13.5359 k = 0.1333 0.0770 0.0544 ( 2304 PWs) bands (ev): -38.4744 -38.4744 -17.4789 -17.4789 -16.9771 -16.9771 -16.9734 -16.9734 -0.1836 -0.1836 7.5934 7.5934 7.8111 7.8111 7.8366 7.8958 8.6678 8.7027 8.7027 8.7613 9.9907 9.9907 10.6723 10.6723 10.7537 10.7682 12.3145 12.3145 12.3754 12.4319 12.5535 12.5535 13.6207 13.6207 k = 0.1444 0.0834 0.0590 ( 2286 PWs) bands (ev): -38.4744 -38.4744 -17.4791 -17.4791 -16.9777 -16.9777 -16.9734 -16.9734 -0.1520 -0.1520 7.5444 7.5444 7.7935 7.7935 7.8229 7.8840 8.6751 8.7101 8.7101 8.7730 9.8884 9.8884 10.6405 10.6405 10.7228 10.7400 12.3179 12.3179 12.3687 12.4239 12.5480 12.5480 13.7073 13.7073 k = 0.1556 0.0898 0.0635 ( 2292 PWs) bands (ev): -38.4743 -38.4743 -17.4795 -17.4795 -16.9784 -16.9784 -16.9734 -16.9734 -0.1182 -0.1182 7.4890 7.4890 7.7760 7.7760 7.8090 7.8715 8.6826 8.7173 8.7173 8.7845 9.7898 9.7898 10.6081 10.6081 10.6908 10.7108 12.3240 12.3240 12.3661 12.4198 12.5445 12.5445 13.7952 13.7952 k = 0.1667 0.0962 0.0680 ( 2289 PWs) bands (ev): -38.4743 -38.4743 -17.4798 -17.4798 -16.9790 -16.9790 -16.9734 -16.9734 -0.0821 -0.0821 7.4273 7.4273 7.7586 7.7586 7.7950 7.8585 8.6904 8.7244 8.7244 8.7957 9.6958 9.6958 10.5756 10.5756 10.6580 10.6808 12.3329 12.3329 12.3676 12.4198 12.5428 12.5428 13.8841 13.8841 k = 0.1778 0.1026 0.0726 ( 2289 PWs) bands (ev): -38.4742 -38.4742 -17.4801 -17.4801 -16.9797 -16.9797 -16.9734 -16.9734 -0.0440 -0.0440 7.3593 7.3593 7.7414 7.7414 7.7810 7.8451 8.6984 8.7311 8.7311 8.8066 9.6072 9.6072 10.5432 10.5432 10.6247 10.6504 12.3445 12.3445 12.3729 12.4234 12.5428 12.5428 13.9737 13.9737 k = 0.1889 0.1091 0.0771 ( 2283 PWs) bands (ev): -38.4742 -38.4742 -17.4804 -17.4804 -16.9805 -16.9805 -16.9735 -16.9735 -0.0038 -0.0038 7.2852 7.2852 7.7244 7.7244 7.7670 7.8314 8.7065 8.7375 8.7375 8.8172 9.5245 9.5245 10.5110 10.5110 10.5913 10.6197 12.3587 12.3587 12.3818 12.4306 12.5444 12.5444 14.0636 14.0636 k = 0.2000 0.1155 0.0816 ( 2289 PWs) bands (ev): -38.4741 -38.4741 -17.4808 -17.4808 -16.9812 -16.9812 -16.9735 -16.9735 0.0383 0.0383 7.2053 7.2053 7.7074 7.7074 7.7530 7.8173 8.7145 8.7434 8.7434 8.8272 9.4481 9.4481 10.4794 10.4794 10.5578 10.5889 12.3754 12.3754 12.3940 12.4411 12.5473 12.5473 14.1535 14.1535 k = 0.2111 0.1219 0.0862 ( 2289 PWs) bands (ev): -38.4740 -38.4740 -17.4812 -17.4812 -16.9820 -16.9820 -16.9735 -16.9735 0.0823 0.0823 7.1199 7.1199 7.6908 7.6908 7.7391 7.8031 8.7224 8.7487 8.7487 8.8366 9.3782 9.3782 10.4486 10.4486 10.5246 10.5583 12.3945 12.3945 12.4093 12.4547 12.5517 12.5517 14.2432 14.2432 k = 0.2222 0.1283 0.0907 ( 2292 PWs) bands (ev): -38.4740 -38.4740 -17.4816 -17.4816 -16.9828 -16.9828 -16.9736 -16.9736 0.1280 0.1280 7.0296 7.0296 7.6743 7.6743 7.7255 7.7889 8.7303 8.7533 8.7533 8.8454 9.3147 9.3147 10.4186 10.4186 10.4920 10.5281 12.4158 12.4158 12.4276 12.4713 12.5575 12.5575 14.3322 14.3322 k = 0.2333 0.1347 0.0953 ( 2292 PWs) bands (ev): -38.4739 -38.4739 -17.4820 -17.4820 -16.9836 -16.9836 -16.9736 -16.9736 0.1753 0.1753 6.9350 6.9350 7.6582 7.6582 7.7121 7.7746 8.7379 8.7572 8.7572 8.8536 9.2575 9.2575 10.3897 10.3897 10.4601 10.4983 12.4393 12.4393 12.4485 12.4905 12.5647 12.5647 14.4202 14.4202 k = 0.2444 0.1411 0.0998 ( 2298 PWs) bands (ev): -38.4738 -38.4738 -17.4824 -17.4824 -16.9844 -16.9844 -16.9736 -16.9736 0.2241 0.2241 6.8367 6.8367 7.6423 7.6423 7.6990 7.7604 8.7453 8.7603 8.7603 8.8611 9.2063 9.2063 10.3619 10.3619 10.4290 10.4693 12.4646 12.4646 12.4720 12.5124 12.5733 12.5733 14.5070 14.5070 k = 0.2556 0.1475 0.1043 ( 2295 PWs) bands (ev): -38.4738 -38.4738 -17.4827 -17.4827 -16.9852 -16.9852 -16.9736 -16.9736 0.2742 0.2742 6.7353 6.7353 7.6267 7.6267 7.6862 7.7463 8.7525 8.7625 8.7626 8.8679 9.1609 9.1609 10.3354 10.3354 10.3991 10.4411 12.4917 12.4917 12.4978 12.5366 12.5833 12.5833 14.5920 14.5920 k = 0.2667 0.1540 0.1089 ( 2295 PWs) bands (ev): -38.4737 -38.4737 -17.4831 -17.4831 -16.9860 -16.9860 -16.9737 -16.9737 0.3255 0.3255 6.6318 6.6318 7.6115 7.6115 7.6738 7.7323 8.7594 8.7639 8.7639 8.8738 9.1210 9.1210 10.3102 10.3102 10.3704 10.4137 12.5203 12.5203 12.5257 12.5629 12.5950 12.5950 14.6746 14.6746 k = 0.2778 0.1604 0.1134 ( 2295 PWs) bands (ev): -38.4736 -38.4736 -17.4835 -17.4835 -16.9868 -16.9868 -16.9737 -16.9737 0.3777 0.3777 6.5267 6.5267 7.5967 7.5967 7.6618 7.7186 8.7643 8.7643 8.7660 8.8790 9.0861 9.0861 10.2864 10.2864 10.3430 10.3873 12.5500 12.5500 12.5555 12.5911 12.6085 12.6085 14.7536 14.7536 k = 0.2889 0.1668 0.1179 ( 2289 PWs) bands (ev): -38.4736 -38.4736 -17.4839 -17.4839 -16.9875 -16.9875 -16.9737 -16.9737 0.4308 0.4308 6.4209 6.4209 7.5824 7.5824 7.6502 7.7051 8.7639 8.7639 8.7722 8.8834 9.0559 9.0559 10.2640 10.2640 10.3170 10.3621 12.5803 12.5803 12.5871 12.6211 12.6244 12.6244 14.8216 14.8216 k = 0.3000 0.1732 0.1225 ( 2301 PWs) bands (ev): -38.4735 -38.4735 -17.4843 -17.4843 -16.9883 -16.9883 -16.9738 -16.9738 0.4844 0.4844 6.3149 6.3149 7.5685 7.5685 7.6390 7.6919 8.7624 8.7624 8.7781 8.8870 9.0300 9.0300 10.2430 10.2430 10.2924 10.3379 12.6097 12.6097 12.6200 12.6437 12.6437 12.6526 14.8035 14.8035 k = 0.3111 0.1796 0.1270 ( 2307 PWs) bands (ev): -38.4734 -38.4734 -17.4847 -17.4847 -16.9891 -16.9891 -16.9738 -16.9738 0.5384 0.5384 6.2094 6.2094 7.5551 7.5551 7.6284 7.6791 8.7602 8.7602 8.7838 8.8897 9.0078 9.0078 10.2234 10.2234 10.2694 10.3149 12.6364 12.6364 12.6543 12.6684 12.6684 12.6854 14.7087 14.7087 k = 0.3222 0.1860 0.1315 ( 2307 PWs) bands (ev): -38.4734 -38.4734 -17.4850 -17.4850 -16.9898 -16.9898 -16.9738 -16.9738 0.5924 0.5924 6.1052 6.1052 7.5423 7.5423 7.6184 7.6668 8.7573 8.7573 8.7891 8.8917 8.9891 8.9891 10.2053 10.2053 10.2480 10.2932 12.6602 12.6602 12.6896 12.6986 12.6986 12.7192 14.6069 14.6069 k = 0.3333 0.1925 0.1361 ( 2301 PWs) bands (ev): -38.4733 -38.4733 -17.4854 -17.4854 -16.9905 -16.9905 -16.9739 -16.9739 0.6463 0.6463 6.0030 6.0030 7.5301 7.5301 7.6089 7.6549 8.7539 8.7539 8.7942 8.8930 8.9734 8.9734 10.1886 10.1886 10.2282 10.2726 12.6831 12.6831 12.7257 12.7320 12.7320 12.7538 14.5050 14.5050 k = 0.3444 0.1989 0.1406 ( 2313 PWs) bands (ev): -38.4733 -38.4733 -17.4858 -17.4858 -16.9912 -16.9912 -16.9739 -16.9739 0.6996 0.6996 5.9032 5.9032 7.5184 7.5184 7.6000 7.6434 8.7499 8.7499 8.7990 8.8935 8.9602 8.9602 10.1732 10.1732 10.2099 10.2533 12.7064 12.7064 12.7622 12.7669 12.7669 12.7889 14.4041 14.4041 k = 0.3556 0.2053 0.1452 ( 2313 PWs) bands (ev): -38.4732 -38.4732 -17.4861 -17.4861 -16.9918 -16.9918 -16.9739 -16.9739 0.7521 0.7521 5.8064 5.8064 7.5075 7.5075 7.5918 7.6325 8.7457 8.7457 8.8036 8.8934 8.9493 8.9493 10.1593 10.1593 10.1933 10.2353 12.7311 12.7311 12.7990 12.8024 12.8024 12.8241 14.3050 14.3050 k = 0.3667 0.2117 0.1497 ( 2307 PWs) bands (ev): -38.4732 -38.4732 -17.4863 -17.4863 -16.9924 -16.9924 -16.9740 -16.9740 0.8033 0.8033 5.7135 5.7135 7.4973 7.4973 7.5842 7.6221 8.7415 8.7415 8.8080 8.8926 8.9403 8.9403 10.1466 10.1466 10.1784 10.2185 12.7574 12.7574 12.8357 12.8379 12.8379 12.8593 14.2080 14.2080 k = 0.3778 0.2181 0.1542 ( 2307 PWs) bands (ev): -38.4731 -38.4731 -17.4866 -17.4866 -16.9929 -16.9929 -16.9740 -16.9740 0.8530 0.8530 5.6248 5.6248 7.4877 7.4877 7.5773 7.6123 8.7372 8.7372 8.8123 8.8913 8.9328 8.9328 10.1352 10.1352 10.1650 10.2030 12.7855 12.7855 12.8719 12.8731 12.8731 12.8939 14.1135 14.1135 k = 0.3889 0.2245 0.1588 ( 2325 PWs) bands (ev): -38.4731 -38.4731 -17.4870 -17.4870 -16.9935 -16.9935 -16.9741 -16.9741 0.9006 0.9006 5.5411 5.5411 7.4789 7.4789 7.5710 7.6031 8.7330 8.7330 8.8163 8.8894 8.9266 8.9266 10.1249 10.1249 10.1530 10.1886 12.8156 12.8156 12.9072 12.9073 12.9073 12.9276 14.0218 14.0218 k = 0.4000 0.2309 0.1633 ( 2316 PWs) bands (ev): -38.4730 -38.4730 -17.4872 -17.4872 -16.9940 -16.9940 -16.9740 -16.9740 0.9456 0.9456 5.4629 5.4629 7.4709 7.4709 7.5656 7.5947 8.7292 8.7292 8.8203 8.8872 8.9215 8.9215 10.1158 10.1158 10.1427 10.1756 12.8478 12.8478 12.9404 12.9404 12.9413 12.9600 13.9329 13.9329 k = 0.4111 0.2374 0.1678 ( 2322 PWs) bands (ev): -38.4730 -38.4730 -17.4874 -17.4874 -16.9944 -16.9944 -16.9741 -16.9741 0.9878 0.9878 5.3908 5.3908 7.4637 7.4637 7.5608 7.5868 8.7256 8.7256 8.8242 8.8845 8.9172 8.9172 10.1079 10.1079 10.1338 10.1637 12.8822 12.8822 12.9717 12.9717 12.9736 12.9906 13.8472 13.8472 k = 0.4222 0.2438 0.1724 ( 2316 PWs) bands (ev): -38.4730 -38.4730 -17.4876 -17.4876 -16.9948 -16.9948 -16.9741 -16.9741 1.0265 1.0265 5.3255 5.3255 7.4572 7.4572 7.5567 7.5796 8.7225 8.7225 8.8281 8.8815 8.9138 8.9138 10.1010 10.1010 10.1263 10.1530 12.9188 12.9188 13.0010 13.0010 13.0038 13.0190 13.7647 13.7647 k = 0.4333 0.2502 0.1769 ( 2316 PWs) bands (ev): -38.4729 -38.4729 -17.4878 -17.4878 -16.9951 -16.9951 -16.9741 -16.9741 1.0612 1.0612 5.2675 5.2675 7.4516 7.4516 7.5534 7.5731 8.7197 8.7197 8.8320 8.8782 8.9110 8.9110 10.0952 10.0952 10.1202 10.1435 12.9575 12.9575 13.0278 13.0278 13.0315 13.0446 13.6857 13.6857 k = 0.4444 0.2566 0.1814 ( 2316 PWs) bands (ev): -38.4729 -38.4729 -17.4879 -17.4879 -16.9954 -16.9954 -16.9741 -16.9741 1.0916 1.0916 5.2174 5.2174 7.4468 7.4468 7.5508 7.5673 8.7173 8.7173 8.8358 8.8746 8.9087 8.9087 10.0903 10.0903 10.1155 10.1352 12.9981 12.9981 13.0519 13.0519 13.0560 13.0672 13.6102 13.6102 k = 0.4556 0.2630 0.1860 ( 2316 PWs) bands (ev): -38.4729 -38.4729 -17.4880 -17.4880 -16.9956 -16.9956 -16.9741 -16.9741 1.1171 1.1171 5.1755 5.1755 7.4429 7.4429 7.5490 7.5622 8.7153 8.7153 8.8397 8.8709 8.9069 8.9069 10.0863 10.0863 10.1121 10.1280 13.0392 13.0392 13.0740 13.0740 13.0771 13.0861 13.5387 13.5387 k = 0.4667 0.2694 0.1905 ( 2316 PWs) bands (ev): -38.4729 -38.4729 -17.4881 -17.4881 -16.9958 -16.9958 -16.9741 -16.9741 1.1374 1.1374 5.1425 5.1425 7.4398 7.4398 7.5479 7.5579 8.7138 8.7138 8.8436 8.8671 8.9056 8.9056 10.0833 10.0833 10.1099 10.1220 13.0739 13.0739 13.0942 13.1003 13.1003 13.1010 13.4716 13.4716 k = 0.4778 0.2758 0.1951 ( 2316 PWs) bands (ev): -38.4729 -38.4729 -17.4882 -17.4882 -16.9960 -16.9960 -16.9741 -16.9741 1.1522 1.1522 5.1186 5.1186 7.4376 7.4376 7.5477 7.5543 8.7127 8.7127 8.8475 8.8632 8.9047 8.9047 10.0811 10.0811 10.1090 10.1171 13.0918 13.0918 13.1070 13.1116 13.1393 13.1393 13.4106 13.4106 k = 0.4889 0.2823 0.1996 ( 2328 PWs) bands (ev): -38.4729 -38.4729 -17.4883 -17.4883 -16.9961 -16.9961 -16.9742 -16.9742 1.1612 1.1612 5.1042 5.1042 7.4362 7.4362 7.5482 7.5515 8.7120 8.7120 8.8513 8.8592 8.9041 8.9041 10.0798 10.0798 10.1092 10.1132 13.1004 13.1004 13.1153 13.1176 13.1786 13.1786 13.3602 13.3602 k = 0.5000 0.2887 0.2041 ( 2332 PWs) bands (ev): -38.4729 -38.4729 -17.4883 -17.4883 -16.9961 -16.9961 -16.9742 -16.9742 1.1642 1.1642 5.0993 5.0993 7.4358 7.4358 7.5494 7.5494 8.7117 8.7117 8.8553 8.8553 8.9039 8.9039 10.0793 10.0793 10.1106 10.1106 13.1031 13.1031 13.1188 13.1188 13.1982 13.1982 13.3372 13.3372 k = 0.5000 0.2887 0.2041 ( 2332 PWs) bands (ev): -38.4729 -38.4729 -17.4883 -17.4883 -16.9961 -16.9961 -16.9742 -16.9742 1.1642 1.1642 5.0993 5.0993 7.4358 7.4358 7.5494 7.5494 8.7117 8.7117 8.8553 8.8553 8.9039 8.9039 10.0793 10.0793 10.1106 10.1106 13.1031 13.1031 13.1188 13.1188 13.1982 13.1982 13.3372 13.3372 k = 0.5039 0.2774 0.2105 ( 2326 PWs) bands (ev): -38.4729 -38.4729 -17.4883 -17.4883 -16.9962 -16.9961 -16.9742 -16.9742 1.1645 1.1647 5.0995 5.1020 7.4334 7.4367 7.5488 7.5488 8.7099 8.7137 8.8555 8.8555 8.9018 8.9061 10.0759 10.0792 10.1087 10.1088 13.0878 13.1002 13.1127 13.1156 13.2031 13.2115 13.3432 13.3469 k = 0.5078 0.2661 0.2169 ( 2315 PWs) bands (ev): -38.4729 -38.4729 -17.4884 -17.4882 -16.9962 -16.9960 -16.9742 -16.9742 1.1656 1.1662 5.1025 5.1075 7.4293 7.4361 7.5472 7.5472 8.7084 8.7160 8.8563 8.8564 8.8998 8.9084 10.0686 10.0754 10.1033 10.1036 13.0584 13.0757 13.1104 13.1138 13.2158 13.2261 13.3670 13.3730 k = 0.5117 0.2548 0.2233 ( 2313 PWs) bands (ev): -38.4728 -38.4728 -17.4884 -17.4882 -16.9962 -16.9959 -16.9743 -16.9743 1.1676 1.1684 5.1083 5.1158 7.4233 7.4335 7.5448 7.5448 8.7070 8.7184 8.8575 8.8577 8.8978 8.9108 10.0564 10.0666 10.0955 10.0960 13.0253 13.0453 13.1098 13.1131 13.2229 13.2319 13.4083 13.4149 k = 0.5156 0.2436 0.2296 ( 2316 PWs) bands (ev): -38.4728 -38.4728 -17.4885 -17.4882 -16.9962 -16.9958 -16.9745 -16.9745 1.1704 1.1715 5.1169 5.1269 7.4148 7.4284 7.5421 7.5422 8.7057 8.7210 8.8590 8.8597 8.8961 8.9132 10.0389 10.0517 10.0869 10.0870 12.9921 13.0149 13.1092 13.1126 13.2230 13.2302 13.4625 13.4691 k = 0.5195 0.2323 0.2360 ( 2312 PWs) bands (ev): -38.4728 -38.4728 -17.4886 -17.4882 -16.9962 -16.9958 -16.9747 -16.9746 1.1740 1.1754 5.1282 5.1408 7.4033 7.4202 7.5399 7.5403 8.7046 8.7238 8.8607 8.8621 8.8946 8.9156 10.0162 10.0309 10.0770 10.0779 12.9599 12.9858 13.1085 13.1121 13.2183 13.2239 13.5251 13.5315 k = 0.5234 0.2210 0.2424 ( 2310 PWs) bands (ev): -38.4728 -38.4728 -17.4887 -17.4882 -16.9962 -16.9957 -16.9749 -16.9749 1.1784 1.1801 5.1422 5.1575 7.3883 7.4084 7.5385 7.5395 8.7037 8.7267 8.8626 8.8652 8.8934 8.9182 9.9887 10.0049 10.0659 10.0682 12.9286 12.9577 13.1078 13.1117 13.2105 13.2149 13.5934 13.5997 k = 0.5273 0.2097 0.2488 ( 2312 PWs) bands (ev): -38.4728 -38.4728 -17.4889 -17.4883 -16.9962 -16.9956 -16.9752 -16.9752 1.1836 1.1856 5.1589 5.1769 7.3695 7.3926 7.5383 7.5402 8.7027 8.7298 8.8644 8.8687 8.8929 8.9208 9.9572 9.9747 10.0537 10.0574 12.8979 12.9304 13.1071 13.1112 13.2008 13.2043 13.6656 13.6714 k = 0.5312 0.1985 0.2552 ( 2313 PWs) bands (ev): -38.4728 -38.4728 -17.4890 -17.4883 -16.9962 -16.9955 -16.9755 -16.9755 1.1895 1.1918 5.1781 5.1991 7.3469 7.3729 7.5394 7.5426 8.7019 8.7329 8.8658 8.8728 8.8931 8.9236 9.9224 9.9410 10.0403 10.0455 12.8671 12.9030 13.1065 13.1108 13.1902 13.1930 13.7398 13.7450 k = 0.5352 0.1872 0.2615 ( 2321 PWs) bands (ev): -38.4727 -38.4727 -17.4892 -17.4884 -16.9962 -16.9954 -16.9759 -16.9758 1.1962 1.1987 5.1999 5.2239 7.3205 7.3493 7.5420 7.5466 8.7010 8.7360 8.8667 8.8774 8.8943 8.9265 9.8850 9.9046 10.0256 10.0324 12.8355 12.8748 13.1060 13.1105 13.1795 13.1818 13.8141 13.8184 k = 0.5391 0.1759 0.2679 ( 2317 PWs) bands (ev): -38.4727 -38.4727 -17.4893 -17.4885 -16.9962 -16.9953 -16.9762 -16.9762 1.2035 1.2063 5.2242 5.2513 7.2905 7.3224 7.5458 7.5519 8.7000 8.7391 8.8670 8.8825 8.8967 8.9296 9.8456 9.8660 10.0098 10.0181 12.8026 12.8450 13.1057 13.1103 13.1696 13.1714 13.8862 13.8892 k = 0.5430 0.1646 0.2743 ( 2313 PWs) bands (ev): -38.4727 -38.4727 -17.4895 -17.4886 -16.9961 -16.9952 -16.9766 -16.9766 1.2115 1.2145 5.2509 5.2813 7.2573 7.2923 7.5508 7.5586 8.6990 8.7420 8.8668 8.8880 8.9001 8.9330 9.8046 9.8259 9.9929 10.0028 12.7676 12.8129 13.1057 13.1103 13.1612 13.1624 13.9528 13.9540 k = 0.5469 0.1534 0.2807 ( 2306 PWs) bands (ev): -38.4727 -38.4727 -17.4896 -17.4886 -16.9961 -16.9950 -16.9771 -16.9770 1.2200 1.2232 5.2798 5.3137 7.2211 7.2595 7.5570 7.5662 8.6977 8.7448 8.8663 8.8939 8.9044 8.9367 9.7628 9.7846 9.9750 9.9865 12.7303 12.7781 13.1061 13.1104 13.1547 13.1552 14.0086 14.0094 k = 0.5508 0.1421 0.2870 ( 2311 PWs) bands (ev): -38.4726 -38.4726 -17.4898 -17.4888 -16.9961 -16.9949 -16.9776 -16.9774 1.2290 1.2325 5.3108 5.3485 7.1820 7.2241 7.5640 7.5748 8.6962 8.7470 8.8657 8.9000 8.9094 8.9407 9.7202 9.7426 9.9561 9.9691 12.6904 12.7403 13.1070 13.1109 13.1503 13.1505 14.0480 14.0506 k = 0.5547 0.1308 0.2934 ( 2313 PWs) bands (ev): -38.4726 -38.4726 -17.4900 -17.4889 -16.9961 -16.9948 -16.9780 -16.9779 1.2385 1.2422 5.3439 5.3857 7.1405 7.1866 7.5719 7.5843 8.6943 8.7487 8.8653 8.9064 8.9150 8.9451 9.6776 9.7003 9.9363 9.9510 12.6479 12.6995 13.1084 13.1118 13.1476 13.1486 14.0679 14.0719 k = 0.5586 0.1195 0.2998 ( 2309 PWs) bands (ev): -38.4726 -38.4726 -17.4902 -17.4890 -16.9960 -16.9947 -16.9785 -16.9784 1.2484 1.2524 5.3789 5.4250 7.0970 7.1474 7.5806 7.5945 8.6921 8.7498 8.8652 8.9129 8.9210 8.9499 9.6351 9.6580 9.9157 9.9322 12.6029 12.6559 13.1106 13.1133 13.1472 13.1492 14.0677 14.0723 k = 0.5625 0.1083 0.3062 ( 2307 PWs) bands (ev): -38.4725 -38.4725 -17.4904 -17.4891 -16.9960 -16.9946 -16.9790 -16.9788 1.2586 1.2628 5.4155 5.4663 7.0516 7.1068 7.5901 7.6054 8.6895 8.7499 8.8657 8.9194 8.9275 8.9553 9.5931 9.6162 9.8945 9.9128 12.5558 12.6099 13.1133 13.1156 13.1489 13.1522 14.0508 14.0555 k = 0.5664 0.0970 0.3126 ( 2309 PWs) bands (ev): -38.4725 -38.4725 -17.4905 -17.4893 -16.9959 -16.9944 -16.9796 -16.9793 1.2691 1.2734 5.4535 5.5096 7.0047 7.0652 7.6002 7.6169 8.6864 8.7491 8.8668 8.9259 8.9343 8.9612 9.5519 9.5749 9.8728 9.8929 12.5069 12.5618 13.1168 13.1188 13.1527 13.1576 14.0223 14.0271 k = 0.5703 0.0857 0.3189 ( 2309 PWs) bands (ev): -38.4725 -38.4725 -17.4907 -17.4894 -16.9959 -16.9943 -16.9801 -16.9798 1.2797 1.2842 5.4928 5.5545 6.9568 7.0230 7.6109 7.6290 8.6828 8.7471 8.8686 8.9322 8.9414 8.9676 9.5117 9.5344 9.8507 9.8728 12.4567 12.5122 13.1208 13.1227 13.1584 13.1651 13.9871 13.9921 k = 0.5742 0.0744 0.3253 ( 2306 PWs) bands (ev): -38.4724 -38.4724 -17.4909 -17.4896 -16.9959 -16.9942 -16.9806 -16.9803 1.2904 1.2951 5.5328 5.6009 6.9083 6.9808 7.6222 7.6416 8.6788 8.7441 8.8711 8.9383 8.9488 8.9746 9.4727 9.4949 9.8284 9.8524 12.4057 12.4616 13.1254 13.1274 13.1659 13.1747 13.9485 13.9538 k = 0.5781 0.0631 0.3317 ( 2306 PWs) bands (ev): -38.4724 -38.4724 -17.4911 -17.4897 -16.9958 -16.9941 -16.9811 -16.9807 1.3010 1.3059 5.5734 5.6484 6.8595 6.9391 7.6340 7.6547 8.6742 8.7399 8.8744 8.9440 8.9565 8.9820 9.4352 9.4565 9.8059 9.8320 12.3542 12.4104 13.1307 13.1328 13.1753 13.1863 13.9085 13.9145 k = 0.5820 0.0519 0.3381 ( 2304 PWs) bands (ev): -38.4724 -38.4723 -17.4913 -17.4899 -16.9958 -16.9940 -16.9816 -16.9812 1.3115 1.3165 5.6140 5.6968 6.8112 6.8984 7.6463 7.6682 8.6693 8.7348 8.8782 8.9493 8.9644 8.9898 9.3993 9.4193 9.7836 9.8117 12.3028 12.3592 13.1366 13.1388 13.1863 13.1995 13.8685 13.8753 k = 0.5859 0.0406 0.3445 ( 2300 PWs) bands (ev): -38.4723 -38.4723 -17.4914 -17.4900 -16.9958 -16.9939 -16.9821 -16.9816 1.3218 1.3269 5.6541 5.7454 6.7640 6.8597 7.6590 7.6820 8.6639 8.7289 8.8826 8.9542 8.9726 8.9978 9.3653 9.3835 9.7613 9.7915 12.2518 12.3083 13.1431 13.1454 13.1988 13.2143 13.8293 13.8372 k = 0.5898 0.0293 0.3508 ( 2296 PWs) bands (ev): -38.4723 -38.4723 -17.4916 -17.4901 -16.9957 -16.9938 -16.9826 -16.9820 1.3317 1.3368 5.6930 5.7936 6.7187 6.8235 7.6721 7.6962 8.6583 8.7223 8.8872 8.9584 8.9810 9.0059 9.3333 9.3490 9.7394 9.7717 12.2017 12.2582 13.1504 13.1526 13.2127 13.2305 13.7916 13.8007 k = 0.5938 0.0180 0.3572 ( 2299 PWs) bands (ev): -38.4723 -38.4722 -17.4918 -17.4903 -16.9957 -16.9937 -16.9830 -16.9824 1.3410 1.3463 5.7300 5.8406 6.6763 6.7909 7.6855 7.7107 8.6523 8.7152 8.8921 8.9619 8.9895 9.0139 9.3037 9.3160 9.7180 9.7522 12.1526 12.2090 13.1582 13.1603 13.2277 13.2478 13.7556 13.7663 k = 0.5977 0.0068 0.3636 ( 2301 PWs) bands (ev): -38.4722 -38.4722 -17.4919 -17.4904 -16.9958 -16.9937 -16.9834 -16.9828 1.3497 1.3551 5.7641 5.8852 6.6382 6.7630 7.6992 7.7254 8.6463 8.7078 8.8970 8.9645 8.9982 9.0215 9.2769 9.2844 9.6971 9.7334 12.1048 12.1612 13.1666 13.1685 13.2436 13.2660 13.7218 13.7342 k = 0.6016-0.0045 0.3700 ( 2301 PWs) bands (ev): -38.4722 -38.4722 -17.4921 -17.4906 -16.9958 -16.9936 -16.9838 -16.9831 1.3576 1.3630 5.7945 5.9258 6.6062 6.7409 7.7132 7.7403 8.6404 8.7003 8.9018 8.9658 9.0069 9.0284 9.2531 9.2545 9.6769 9.7151 12.0587 12.1150 13.1756 13.1771 13.2600 13.2849 13.6905 13.7048 k = 0.6055-0.0158 0.3764 ( 2305 PWs) bands (ev): -38.4722 -38.4722 -17.4922 -17.4907 -16.9958 -16.9936 -16.9841 -16.9834 1.3647 1.3701 5.8200 5.9604 6.5825 6.7257 7.7275 7.7553 8.6345 8.6929 8.9063 8.9655 9.0156 9.0345 9.2262 9.2330 9.6576 9.6976 12.0143 12.0704 13.1849 13.1859 13.2767 13.3040 13.6620 13.6786 k = 0.6094-0.0271 0.3827 ( 2305 PWs) bands (ev): -38.4722 -38.4721 -17.4923 -17.4908 -16.9958 -16.9936 -16.9843 -16.9836 1.3706 1.3760 5.8399 5.9866 6.5693 6.7184 7.7419 7.7704 8.6291 8.6860 8.9104 8.9634 9.0240 9.0393 9.1998 9.2170 9.6393 9.6808 11.9718 12.0277 13.1943 13.1946 13.2932 13.3229 13.6369 13.6559 k = 0.6133-0.0383 0.3891 ( 2309 PWs) bands (ev): -38.4721 -38.4721 -17.4924 -17.4910 -16.9959 -16.9937 -16.9846 -16.9838 1.3753 1.3807 5.8537 6.0027 6.5689 6.7196 7.7564 7.7856 8.6241 8.6796 8.9140 8.9589 9.0318 9.0427 9.1759 9.2057 9.6221 9.6649 11.9312 11.9870 13.2030 13.2036 13.3088 13.3409 13.6158 13.6374 k = 0.6172-0.0496 0.3955 ( 2309 PWs) bands (ev): -38.4721 -38.4721 -17.4925 -17.4911 -16.9959 -16.9937 -16.9847 -16.9840 1.3787 1.3841 5.8611 6.0079 6.5820 6.7298 7.7710 7.8008 8.6198 8.6740 8.9169 8.9519 9.0380 9.0446 9.1552 9.1990 9.6061 9.6500 11.8927 11.9482 13.2105 13.2122 13.3229 13.3570 13.5989 13.6224 k = 0.6211-0.0609 0.4019 ( 2309 PWs) bands (ev): -38.4721 -38.4721 -17.4926 -17.4911 -16.9960 -16.9938 -16.9849 -16.9841 1.3805 1.3859 5.8626 6.0031 6.6079 6.7485 7.7857 7.8159 8.6163 8.6694 8.9188 8.9424 9.0411 9.0452 9.1394 9.1969 9.5913 9.6360 11.8563 11.9116 13.2164 13.2195 13.3348 13.3700 13.5742 13.5882 k = 0.6250-0.0722 0.4082 ( 2319 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4913 -16.9960 -16.9939 -16.9850 -16.9843 1.3807 1.3859 5.8590 5.9904 6.6446 6.7750 7.8004 7.8309 8.6137 8.6660 8.9196 8.9305 9.0393 9.0447 9.1306 9.1986 9.5779 9.6230 11.8218 11.8769 13.2194 13.2242 13.3438 13.3789 13.5367 13.5507 k = 0.6250-0.0722 0.4082 ( 2319 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4913 -16.9960 -16.9939 -16.9850 -16.9843 1.3807 1.3859 5.8590 5.9904 6.6446 6.7750 7.8004 7.8309 8.6137 8.6660 8.9196 8.9305 9.0393 9.0447 9.1306 9.1986 9.5779 9.6230 11.8218 11.8769 13.2194 13.2242 13.3438 13.3789 13.5367 13.5507 k = 0.6184-0.0684 0.4190 ( 2315 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9960 -16.9939 -16.9850 -16.9843 1.3809 1.3862 5.8598 5.9913 6.6448 6.7753 7.7987 7.8291 8.6134 8.6658 8.9193 8.9298 9.0374 9.0456 9.1286 9.1974 9.5794 9.6239 11.8252 11.8803 13.2166 13.2213 13.3419 13.3769 13.5292 13.5402 k = 0.6118-0.0646 0.4297 ( 2315 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9960 -16.9939 -16.9850 -16.9843 1.3817 1.3869 5.8623 5.9941 6.6453 6.7760 7.7935 7.8236 8.6127 8.6651 8.9185 8.9278 9.0335 9.0463 9.1230 9.1940 9.5837 9.6262 11.8353 11.8903 13.2083 13.2129 13.3354 13.3702 13.5137 13.5220 k = 0.6053-0.0608 0.4405 ( 2308 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9960 -16.9938 -16.9850 -16.9843 1.3829 1.3881 5.8665 5.9988 6.6462 6.7772 7.7849 7.8146 8.6114 8.6640 8.9169 8.9246 9.0287 9.0453 9.1152 9.1887 9.5902 9.6299 11.8519 11.9067 13.1950 13.1997 13.3232 13.3574 13.4986 13.5055 k = 0.5987-0.0570 0.4512 ( 2309 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9959 -16.9938 -16.9851 -16.9844 1.3845 1.3898 5.8723 6.0054 6.6472 6.7786 7.7729 7.8020 8.6095 8.6625 8.9138 8.9209 9.0234 9.0413 9.1070 9.1821 9.5984 9.6345 11.8746 11.9292 13.1774 13.1823 13.3046 13.3378 13.4875 13.4936 k = 0.5921-0.0532 0.4620 ( 2307 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9959 -16.9937 -16.9852 -16.9845 1.3865 1.3918 5.8796 6.0137 6.6483 6.7804 7.7578 7.7860 8.6072 8.6606 8.9087 8.9177 9.0177 9.0336 9.1002 9.1748 9.6076 9.6398 11.9030 11.9572 13.1562 13.1616 13.2802 13.3123 13.4804 13.4868 k = 0.5855-0.0494 0.4727 ( 2299 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9958 -16.9936 -16.9853 -16.9846 1.3890 1.3943 5.8884 6.0239 6.6493 6.7822 7.7396 7.7669 8.6044 8.6584 8.9017 8.9150 9.0118 9.0222 9.0960 9.1674 9.6172 9.6455 11.9367 11.9903 13.1322 13.1383 13.2515 13.2828 13.4763 13.4837 k = 0.5789-0.0456 0.4835 ( 2298 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9957 -16.9935 -16.9854 -16.9848 1.3917 1.3971 5.8985 6.0357 6.6500 6.7840 7.7188 7.7449 8.6012 8.6559 8.8936 8.9124 9.0059 9.0084 9.0938 9.1603 9.6268 9.6511 11.9750 12.0277 13.1059 13.1130 13.2202 13.2511 13.4742 13.4829 k = 0.5724-0.0418 0.4942 ( 2298 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4912 -16.9956 -16.9934 -16.9856 -16.9849 1.3948 1.4002 5.9099 6.0492 6.6500 6.7855 7.6958 7.7205 8.5976 8.6532 8.8852 8.9095 8.9937 9.0000 9.0930 9.1537 9.6359 9.6566 12.0172 12.0687 13.0778 13.0864 13.1879 13.2181 13.4731 13.4831 k = 0.5658-0.0380 0.5049 ( 2300 PWs) bands (ev): -38.4721 -38.4720 -17.4928 -17.4912 -16.9955 -16.9933 -16.9857 -16.9851 1.3980 1.4035 5.9223 6.0643 6.6491 6.7865 7.6711 7.6943 8.5938 8.6504 8.8770 8.9063 8.9793 8.9940 9.0929 9.1479 9.6444 9.6618 12.0627 12.1127 13.0482 13.0591 13.1557 13.1848 13.4724 13.4837 k = 0.5592-0.0342 0.5157 ( 2295 PWs) bands (ev): -38.4721 -38.4720 -17.4928 -17.4912 -16.9954 -16.9931 -16.9858 -16.9852 1.4015 1.4070 5.9356 6.0807 6.6469 6.7868 7.6454 7.6671 8.5898 8.6475 8.8695 8.9029 8.9661 8.9882 9.0933 9.1429 9.6521 9.6666 12.1109 12.1588 13.0171 13.0319 13.1246 13.1517 13.4718 13.4843 k = 0.5526-0.0304 0.5264 ( 2295 PWs) bands (ev): -38.4721 -38.4720 -17.4928 -17.4913 -16.9953 -16.9930 -16.9860 -16.9854 1.4050 1.4106 5.9495 6.0985 6.6431 6.7861 7.6195 7.6396 8.5858 8.6446 8.8630 8.8990 8.9546 8.9824 9.0939 9.1387 9.6588 9.6709 12.1608 12.2062 12.9847 13.0051 13.0954 13.1193 13.4710 13.4846 k = 0.5461-0.0266 0.5372 ( 2295 PWs) bands (ev): -38.4721 -38.4720 -17.4928 -17.4913 -16.9952 -16.9929 -16.9862 -16.9856 1.4085 1.4141 5.9637 6.1173 6.6375 6.7843 7.5943 7.6127 8.5819 8.6419 8.8577 8.8949 8.9451 8.9768 9.0945 9.1352 9.6647 9.6746 12.2117 12.2541 12.9509 12.9788 13.0687 13.0883 13.4700 13.4846 k = 0.5395-0.0228 0.5479 ( 2297 PWs) bands (ev): -38.4721 -38.4720 -17.4929 -17.4913 -16.9952 -16.9928 -16.9863 -16.9857 1.4118 1.4176 5.9777 6.1367 6.6298 6.7812 7.5707 7.5875 8.5783 8.6393 8.8539 8.8903 8.9379 8.9712 9.0951 9.1324 9.6697 9.6778 12.2628 12.3013 12.9161 12.9534 13.0451 13.0594 13.4688 13.4844 k = 0.5329-0.0190 0.5587 ( 2296 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4913 -16.9951 -16.9926 -16.9865 -16.9859 1.4150 1.4208 5.9913 6.1565 6.6200 6.7770 7.5494 7.5649 8.5750 8.6369 8.8515 8.8855 8.9329 8.9657 9.0956 9.1301 9.6738 9.6805 12.3129 12.3468 12.8808 12.9288 13.0248 13.0337 13.4673 13.4838 k = 0.5263-0.0152 0.5694 ( 2295 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4913 -16.9950 -16.9925 -16.9866 -16.9860 1.4179 1.4237 6.0038 6.1758 6.6087 6.7719 7.5313 7.5455 8.5722 8.6349 8.8507 8.8806 8.9301 8.9602 9.0961 9.1283 9.6770 9.6826 12.3607 12.3888 12.8460 12.9054 13.0076 13.0123 13.4658 13.4830 k = 0.5197-0.0114 0.5801 ( 2295 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4913 -16.9950 -16.9924 -16.9867 -16.9861 1.4204 1.4262 6.0146 6.1937 6.5965 6.7664 7.5169 7.5302 8.5698 8.6332 8.8512 8.8756 8.9292 8.9549 9.0964 9.1270 9.6795 9.6843 12.4042 12.4256 12.8132 12.8843 12.9921 12.9974 13.4642 13.4821 k = 0.5132-0.0076 0.5909 ( 2295 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4913 -16.9949 -16.9924 -16.9868 -16.9862 1.4223 1.4282 6.0230 6.2087 6.5850 6.7613 7.5066 7.5191 8.5681 8.6319 8.8532 8.8707 8.9301 8.9498 9.0967 9.1261 9.6811 9.6854 12.4405 12.4547 12.7851 12.8671 12.9798 12.9879 13.4629 13.4813 k = 0.5066-0.0038 0.6016 ( 2291 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4913 -16.9949 -16.9923 -16.9869 -16.9863 1.4235 1.4295 6.0285 6.2193 6.5763 6.7574 7.5005 7.5125 8.5671 8.6311 8.8564 8.8657 8.9323 8.9451 9.0968 9.1255 9.6821 9.6860 12.4655 12.4734 12.7653 12.8558 12.9722 12.9825 13.4619 13.4807 k = 0.5000-0.0000 0.6124 ( 2268 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4912 -16.9948 -16.9922 -16.9868 -16.9862 1.4240 1.4299 6.0305 6.2232 6.5729 6.7559 7.4986 7.5104 8.5668 8.6309 8.8609 8.8610 8.9343 8.9426 9.0969 9.1255 9.6825 9.6863 12.4745 12.4799 12.7582 12.8520 12.9697 12.9808 13.4616 13.4805 k = 0.5000-0.0000 0.6124 ( 2268 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4912 -16.9948 -16.9922 -16.9868 -16.9862 1.4240 1.4299 6.0305 6.2232 6.5729 6.7559 7.4986 7.5104 8.5668 8.6309 8.8609 8.8610 8.9343 8.9426 9.0969 9.1255 9.6825 9.6863 12.4745 12.4799 12.7582 12.8520 12.9697 12.9808 13.4616 13.4805 k = 0.5000 0.0078 0.6013 ( 2292 PWs) bands (ev): -38.4720 -38.4720 -17.4930 -17.4913 -16.9949 -16.9923 -16.9869 -16.9862 1.4235 1.4294 6.0290 6.2217 6.5718 6.7550 7.5003 7.5125 8.5674 8.6315 8.8608 8.8621 8.9349 8.9435 9.0966 9.1255 9.6826 9.6865 12.4745 12.4801 12.7566 12.8486 12.9755 12.9850 13.4622 13.4810 k = 0.5000 0.0156 0.5903 ( 2294 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4913 -16.9949 -16.9924 -16.9868 -16.9862 1.4219 1.4278 6.0245 6.2170 6.5688 6.7523 7.5054 7.5185 8.5696 8.6333 8.8606 8.8660 8.9362 8.9477 9.0958 9.1260 9.6834 9.6875 12.4747 12.4811 12.7524 12.8402 12.9914 12.9975 13.4643 13.4825 k = 0.5000 0.0234 0.5793 ( 2294 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4913 -16.9950 -16.9924 -16.9867 -16.9860 1.4192 1.4251 6.0169 6.2085 6.5652 6.7487 7.5134 7.5279 8.5731 8.6362 8.8604 8.8723 8.9368 8.9562 9.0945 9.1270 9.6847 9.6891 12.4754 12.4829 12.7464 12.8297 13.0141 13.0168 13.4678 13.4850 k = 0.5000 0.0312 0.5682 ( 2294 PWs) bands (ev): -38.4721 -38.4720 -17.4929 -17.4912 -16.9950 -16.9925 -16.9865 -16.9859 1.4156 1.4215 6.0058 6.1951 6.5628 6.7449 7.5236 7.5397 8.5780 8.6404 8.8601 8.8810 8.9369 8.9687 9.0927 9.1288 9.6867 9.6914 12.4767 12.4855 12.7397 12.8189 13.0407 13.0421 13.4729 13.4888 k = 0.5000 0.0390 0.5572 ( 2296 PWs) bands (ev): -38.4721 -38.4720 -17.4928 -17.4912 -16.9950 -16.9925 -16.9863 -16.9857 1.4110 1.4168 5.9911 6.1760 6.5634 6.7423 7.5350 7.5529 8.5842 8.6455 8.8598 8.8915 8.9367 8.9847 9.0904 9.1317 9.6894 9.6946 12.4790 12.4893 12.7333 12.8088 13.0694 13.0719 13.4796 13.4939 k = 0.5000 0.0468 0.5462 ( 2294 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4911 -16.9951 -16.9926 -16.9861 -16.9854 1.4054 1.4112 5.9724 6.1506 6.5685 6.7417 7.5471 7.5666 8.5914 8.6517 8.8594 8.9032 8.9367 9.0037 9.0878 9.1364 9.6929 9.6987 12.4826 12.4944 12.7274 12.7999 13.1002 13.1038 13.4884 13.5008 k = 0.5000 0.0546 0.5351 ( 2296 PWs) bands (ev): -38.4721 -38.4721 -17.4926 -17.4910 -16.9951 -16.9927 -16.9858 -16.9851 1.3990 1.4048 5.9498 6.1191 6.5787 6.7442 7.5588 7.5799 8.5994 8.6588 8.8589 8.9149 8.9374 9.0251 9.0854 9.1435 9.6974 9.7037 12.4877 12.5012 12.7226 12.7924 13.1321 13.1361 13.4998 13.5102 k = 0.5000 0.0624 0.5241 ( 2296 PWs) bands (ev): -38.4721 -38.4721 -17.4925 -17.4909 -16.9952 -16.9928 -16.9854 -16.9848 1.3917 1.3975 5.9233 6.0822 6.5943 6.7504 7.5698 7.5920 8.6080 8.6665 8.8585 8.9239 8.9405 9.0461 9.0855 9.1540 9.7029 9.7100 12.4947 12.5099 12.7190 12.7861 13.1634 13.1677 13.5146 13.5228 k = 0.5000 0.0702 0.5131 ( 2296 PWs) bands (ev): -38.4722 -38.4721 -17.4924 -17.4908 -16.9952 -16.9929 -16.9851 -16.9844 1.3837 1.3894 5.8931 6.0407 6.6148 6.7607 7.5794 7.6025 8.6170 8.6748 8.8580 8.9274 8.9479 9.0579 9.0969 9.1689 9.7096 9.7175 12.5038 12.5208 12.7166 12.7813 13.1927 13.1972 13.5337 13.5398 k = 0.5000 0.0780 0.5020 ( 2292 PWs) bands (ev): -38.4722 -38.4722 -17.4922 -17.4907 -16.9953 -16.9930 -16.9846 -16.9840 1.3751 1.3807 5.8596 5.9958 6.6399 6.7752 7.5874 7.6110 8.6260 8.6834 8.8576 8.9277 8.9561 9.0573 9.1226 9.1889 9.7176 9.7264 12.5151 12.5340 12.7155 12.7777 13.2186 13.2230 13.5581 13.5623 k = 0.5000 0.0858 0.4910 ( 2294 PWs) bands (ev): -38.4722 -38.4722 -17.4921 -17.4905 -16.9953 -16.9932 -16.9842 -16.9836 1.3658 1.3714 5.8233 5.9483 6.6689 6.7937 7.5936 7.6173 8.6348 8.6920 8.8572 8.9268 8.9625 9.0521 9.1547 9.2140 9.7269 9.7367 12.5288 12.5495 12.7157 12.7753 13.2399 13.2443 13.5885 13.5913 k = 0.5000 0.0936 0.4800 ( 2296 PWs) bands (ev): -38.4722 -38.4722 -17.4919 -17.4904 -16.9954 -16.9933 -16.9838 -16.9832 1.3560 1.3615 5.7847 5.8991 6.7012 6.8161 7.5980 7.6215 8.6432 8.7006 8.8569 8.9255 8.9663 9.0451 9.1905 9.2438 9.7377 9.7485 12.5448 12.5675 12.7174 12.7742 13.2561 13.2604 13.6248 13.6275 k = 0.5000 0.1014 0.4689 ( 2292 PWs) bands (ev): -38.4723 -38.4722 -17.4918 -17.4903 -16.9955 -16.9934 -16.9833 -16.9828 1.3458 1.3512 5.7444 5.8489 6.7365 6.8420 7.6005 7.6237 8.6512 8.7088 8.8567 8.9239 8.9676 9.0371 9.2292 9.2775 9.7498 9.7618 12.5632 12.5880 12.7206 12.7742 13.2673 13.2716 13.6668 13.6703 k = 0.5000 0.1092 0.4579 ( 2294 PWs) bands (ev): -38.4723 -38.4723 -17.4916 -17.4901 -16.9955 -16.9935 -16.9828 -16.9823 1.3353 1.3406 5.7029 5.7983 6.7740 6.8710 7.6014 7.6240 8.6586 8.7164 8.8566 8.9221 8.9668 9.0284 9.2702 9.3142 9.7634 9.7766 12.5837 12.6109 12.7254 12.7755 13.2740 13.2785 13.7139 13.7188 k = 0.5000 0.1170 0.4469 ( 2298 PWs) bands (ev): -38.4723 -38.4723 -17.4914 -17.4900 -16.9956 -16.9937 -16.9823 -16.9818 1.3245 1.3296 5.6608 5.7478 6.8135 6.9025 7.6007 7.6225 8.6653 8.7233 8.8567 8.9201 8.9644 9.0192 9.3132 9.3531 9.7783 9.7927 12.6059 12.6359 12.7322 12.7781 13.2769 13.2819 13.7652 13.7715 k = 0.5000 0.1248 0.4358 ( 2298 PWs) bands (ev): -38.4724 -38.4723 -17.4913 -17.4898 -16.9956 -16.9938 -16.9817 -16.9813 1.3135 1.3185 5.6184 5.6978 6.8545 6.9363 7.5987 7.6196 8.6713 8.7295 8.8569 8.9179 8.9607 9.0096 9.3577 9.3937 9.7945 9.8101 12.6295 12.6629 12.7412 12.7820 13.2769 13.2825 13.8194 13.8273 k = 0.5000 0.1326 0.4248 ( 2296 PWs) bands (ev): -38.4724 -38.4724 -17.4911 -17.4897 -16.9957 -16.9940 -16.9812 -16.9808 1.3024 1.3073 5.5761 5.6486 6.8967 6.9718 7.5955 7.6154 8.6766 8.7347 8.8572 8.9155 8.9561 8.9999 9.4032 9.4354 9.8119 9.8286 12.6534 12.6913 12.7531 12.7875 13.2745 13.2809 13.8751 13.8844 k = 0.5000 0.1404 0.4138 ( 2310 PWs) bands (ev): -38.4724 -38.4724 -17.4909 -17.4896 -16.9958 -16.9941 -16.9807 -16.9804 1.2913 1.2960 5.5344 5.6006 6.9395 7.0085 7.5914 7.6102 8.6812 8.7390 8.8576 8.9130 8.9508 8.9902 9.4491 9.4780 9.8302 9.8480 12.6766 12.7206 12.7683 12.7954 13.2705 13.2775 13.9301 13.9405 k = 0.5000 0.1482 0.4027 ( 2310 PWs) bands (ev): -38.4725 -38.4725 -17.4907 -17.4894 -16.9958 -16.9943 -16.9801 -16.9799 1.2803 1.2848 5.4936 5.5539 6.9826 7.0460 7.5865 7.6041 8.6852 8.7423 8.8582 8.9104 8.9449 8.9808 9.4954 9.5212 9.8494 9.8681 12.6980 12.7494 12.7869 12.8074 13.2651 13.2730 13.9812 13.9920 k = 0.5000 0.1560 0.3917 ( 2304 PWs) bands (ev): -38.4725 -38.4725 -17.4905 -17.4893 -16.9959 -16.9944 -16.9796 -16.9793 1.2695 1.2738 5.4539 5.5089 7.0257 7.0840 7.5811 7.5975 8.6886 8.7446 8.8590 8.9077 8.9387 8.9718 9.5416 9.5650 9.8691 9.8885 12.7173 12.7750 12.8078 12.8269 13.2589 13.2674 14.0243 14.0339 k = 0.5000 0.1638 0.3807 ( 2304 PWs) bands (ev): -38.4725 -38.4725 -17.4903 -17.4891 -16.9959 -16.9945 -16.9790 -16.9788 1.2588 1.2630 5.4155 5.4656 7.0682 7.1218 7.5754 7.5905 8.6914 8.7460 8.8598 8.9050 8.9320 8.9635 9.5874 9.6091 9.8892 9.9091 12.7348 12.7941 12.8335 12.8536 13.2520 13.2612 14.0547 14.0622 k = 0.5000 0.1716 0.3696 ( 2308 PWs) bands (ev): -38.4726 -38.4726 -17.4902 -17.4890 -16.9960 -16.9947 -16.9785 -16.9784 1.2485 1.2524 5.3787 5.4242 7.1100 7.1592 7.5695 7.5832 8.6937 8.7464 8.8607 8.9023 8.9250 8.9559 9.6326 9.6533 9.9093 9.9295 12.7513 12.8085 12.8638 12.8842 13.2448 13.2546 14.0687 14.0743 k = 0.5000 0.1794 0.3586 ( 2310 PWs) bands (ev): -38.4726 -38.4726 -17.4900 -17.4889 -16.9960 -16.9948 -16.9780 -16.9779 1.2385 1.2422 5.3436 5.3850 7.1505 7.1956 7.5636 7.5760 8.6956 8.7460 8.8617 8.8996 8.9177 8.9494 9.6772 9.6976 9.9293 9.9495 12.7676 12.8215 12.8961 12.9162 13.2376 13.2479 14.0642 14.0685 k = 0.5000 0.1872 0.3476 ( 2306 PWs) bands (ev): -38.4726 -38.4726 -17.4898 -17.4888 -16.9961 -16.9949 -16.9775 -16.9774 1.2290 1.2325 5.3105 5.3479 7.1894 7.2308 7.5579 7.5688 8.6972 8.7449 8.8626 8.8971 8.9104 8.9436 9.7210 9.7415 9.9489 9.9688 12.7842 12.8346 12.9287 12.9484 13.2305 13.2413 14.0409 14.0442 k = 0.5000 0.1951 0.3365 ( 2306 PWs) bands (ev): -38.4727 -38.4727 -17.4896 -17.4886 -16.9961 -16.9950 -16.9771 -16.9770 1.2199 1.2232 5.2794 5.3132 7.2264 7.2643 7.5526 7.5620 8.6985 8.7432 8.8634 8.8946 8.9033 8.9387 9.7640 9.7848 9.9679 9.9873 12.8016 12.8485 12.9605 12.9796 13.2240 13.2350 14.0003 14.0030 k = 0.5000 0.2029 0.3255 ( 2306 PWs) bands (ev): -38.4727 -38.4727 -17.4895 -17.4885 -16.9961 -16.9952 -16.9766 -16.9765 1.2114 1.2144 5.2505 5.2808 7.2611 7.2958 7.5478 7.5558 8.6995 8.7410 8.8640 8.8917 8.8972 8.9343 9.8059 9.8270 9.9861 10.0046 12.8200 12.8635 12.9908 13.0090 13.2182 13.2295 13.9455 13.9486 k = 0.5000 0.2107 0.3145 ( 2310 PWs) bands (ev): -38.4727 -38.4727 -17.4893 -17.4885 -16.9962 -16.9953 -16.9762 -16.9762 1.2034 1.2062 5.2239 5.2509 7.2931 7.3247 7.5438 7.5503 8.7004 8.7384 8.8642 8.8870 8.8938 8.9304 9.8466 9.8678 10.0033 10.0207 12.8396 12.8799 13.0188 13.0359 13.2137 13.2250 13.8807 13.8848 k = 0.5000 0.2185 0.3034 ( 2310 PWs) bands (ev): -38.4727 -38.4727 -17.4891 -17.4884 -16.9962 -16.9954 -16.9758 -16.9758 1.1961 1.1986 5.1997 5.2235 7.3221 7.3509 7.5406 7.5457 8.7012 8.7356 8.8641 8.8813 8.8924 8.9270 9.8857 9.9067 10.0195 10.0356 12.8606 12.8977 13.0436 13.0592 13.2110 13.2220 13.8101 13.8151 k = 0.5000 0.2263 0.2924 ( 2312 PWs) bands (ev): -38.4728 -38.4728 -17.4890 -17.4883 -16.9962 -16.9955 -16.9755 -16.9755 1.1895 1.1917 5.1779 5.1988 7.3478 7.3738 7.5385 7.5422 8.7020 8.7326 8.8635 8.8758 8.8921 8.9238 9.9227 9.9433 10.0345 10.0490 12.8833 12.9173 13.0647 13.0783 13.2105 13.2208 13.7369 13.7427 k = 0.5000 0.2341 0.2814 ( 2312 PWs) bands (ev): -38.4728 -38.4728 -17.4889 -17.4883 -16.9962 -16.9956 -16.9752 -16.9752 1.1836 1.1855 5.1587 5.1767 7.3700 7.3931 7.5377 7.5402 8.7028 8.7296 8.8625 8.8708 8.8924 8.9209 9.9572 9.9768 10.0484 10.0611 12.9078 12.9388 13.0813 13.0927 13.2124 13.2218 13.6635 13.6698 k = 0.5000 0.2419 0.2703 ( 2314 PWs) bands (ev): -38.4728 -38.4728 -17.4888 -17.4882 -16.9962 -16.9957 -16.9749 -16.9749 1.1784 1.1801 5.1421 5.1573 7.3885 7.4086 7.5380 7.5396 8.7037 8.7266 8.8613 8.8665 8.8932 8.9182 9.9885 10.0068 10.0611 10.0718 12.9343 12.9623 13.0934 13.1023 13.2162 13.2247 13.5920 13.5985 k = 0.5000 0.2497 0.2593 ( 2314 PWs) bands (ev): -38.4728 -38.4728 -17.4886 -17.4882 -16.9962 -16.9958 -16.9747 -16.9747 1.1740 1.1754 5.1281 5.1407 7.4034 7.4203 7.5396 7.5405 8.7047 8.7238 8.8599 8.8629 8.8945 8.9156 10.0159 10.0324 10.0728 10.0812 12.9629 12.9880 13.1014 13.1081 13.2207 13.2287 13.5241 13.5308 k = 0.5000 0.2575 0.2483 ( 2312 PWs) bands (ev): -38.4728 -38.4728 -17.4885 -17.4882 -16.9962 -16.9958 -16.9745 -16.9745 1.1704 1.1715 5.1168 5.1268 7.4149 7.4285 7.5419 7.5424 8.7057 8.7210 8.8585 8.8601 8.8961 8.9132 10.0388 10.0527 10.0838 10.0897 12.9935 13.0159 13.1062 13.1112 13.2238 13.2321 13.4619 13.4686 k = 0.5000 0.2653 0.2372 ( 2308 PWs) bands (ev): -38.4728 -38.4728 -17.4884 -17.4882 -16.9962 -16.9959 -16.9743 -16.9743 1.1676 1.1684 5.1083 5.1157 7.4234 7.4335 7.5447 7.5449 8.7070 8.7184 8.8573 8.8580 8.8979 8.9108 10.0564 10.0670 10.0941 10.0973 13.0259 13.0457 13.1088 13.1128 13.2230 13.2325 13.4080 13.4147 k = 0.5000 0.2731 0.2262 ( 2314 PWs) bands (ev): -38.4729 -38.4729 -17.4884 -17.4882 -16.9961 -16.9960 -16.9742 -16.9742 1.1656 1.1662 5.1025 5.1075 7.4294 7.4361 7.5472 7.5472 8.7084 8.7160 8.8563 8.8565 8.8998 8.9084 10.0686 10.0754 10.1029 10.1040 13.0586 13.0759 13.1102 13.1138 13.2158 13.2261 13.3669 13.3729 k = 0.5000 0.2809 0.2152 ( 2326 PWs) bands (ev): -38.4729 -38.4729 -17.4883 -17.4883 -16.9962 -16.9961 -16.9742 -16.9742 1.1645 1.1647 5.0995 5.1020 7.4334 7.4367 7.5488 7.5488 8.7100 8.7137 8.8555 8.8556 8.9018 8.9061 10.0759 10.0793 10.1087 10.1088 13.0878 13.1002 13.1127 13.1156 13.2031 13.2115 13.3431 13.3469 k = 0.5000 0.2887 0.2041 ( 2332 PWs) bands (ev): -38.4729 -38.4729 -17.4883 -17.4883 -16.9961 -16.9961 -16.9742 -16.9742 1.1642 1.1642 5.0993 5.0993 7.4358 7.4358 7.5494 7.5494 8.7117 8.7117 8.8553 8.8553 8.9039 8.9039 10.0793 10.0793 10.1106 10.1106 13.1031 13.1031 13.1188 13.1188 13.1982 13.1982 13.3372 13.3372 k = 0.5000 0.2887 0.2041 ( 2332 PWs) bands (ev): -38.4729 -38.4729 -17.4883 -17.4883 -16.9961 -16.9961 -16.9742 -16.9742 1.1642 1.1642 5.0993 5.0993 7.4358 7.4358 7.5494 7.5494 8.7117 8.7117 8.8553 8.8553 8.9039 8.9039 10.0793 10.0793 10.1106 10.1106 13.1031 13.1031 13.1188 13.1188 13.1982 13.1982 13.3372 13.3372 k = 0.4961 0.2864 0.2169 ( 2326 PWs) bands (ev): -38.4729 -38.4729 -17.4883 -17.4883 -16.9962 -16.9961 -16.9742 -16.9742 1.1645 1.1647 5.0995 5.1020 7.4334 7.4367 7.5488 7.5488 8.7099 8.7137 8.8555 8.8555 8.9018 8.9061 10.0759 10.0792 10.1087 10.1088 13.0878 13.1002 13.1127 13.1156 13.2031 13.2115 13.3432 13.3469 k = 0.4922 0.2842 0.2296 ( 2315 PWs) bands (ev): -38.4729 -38.4729 -17.4884 -17.4882 -16.9962 -16.9960 -16.9742 -16.9742 1.1656 1.1662 5.1025 5.1075 7.4293 7.4361 7.5472 7.5472 8.7084 8.7160 8.8563 8.8564 8.8998 8.9084 10.0686 10.0754 10.1033 10.1036 13.0584 13.0757 13.1104 13.1138 13.2158 13.2261 13.3670 13.3730 k = 0.4883 0.2819 0.2424 ( 2313 PWs) bands (ev): -38.4728 -38.4728 -17.4884 -17.4882 -16.9962 -16.9959 -16.9743 -16.9743 1.1676 1.1684 5.1083 5.1158 7.4233 7.4335 7.5448 7.5448 8.7070 8.7184 8.8575 8.8577 8.8978 8.9108 10.0564 10.0666 10.0955 10.0960 13.0253 13.0453 13.1098 13.1131 13.2229 13.2319 13.4083 13.4149 k = 0.4844 0.2797 0.2552 ( 2316 PWs) bands (ev): -38.4728 -38.4728 -17.4885 -17.4882 -16.9962 -16.9958 -16.9745 -16.9745 1.1704 1.1715 5.1169 5.1269 7.4148 7.4284 7.5421 7.5422 8.7057 8.7210 8.8590 8.8597 8.8961 8.9132 10.0389 10.0517 10.0869 10.0870 12.9921 13.0149 13.1092 13.1126 13.2230 13.2302 13.4625 13.4691 k = 0.4805 0.2774 0.2679 ( 2312 PWs) bands (ev): -38.4728 -38.4728 -17.4886 -17.4882 -16.9962 -16.9958 -16.9747 -16.9746 1.1740 1.1754 5.1282 5.1408 7.4033 7.4202 7.5399 7.5403 8.7046 8.7238 8.8607 8.8621 8.8946 8.9156 10.0162 10.0309 10.0770 10.0779 12.9599 12.9858 13.1085 13.1121 13.2183 13.2239 13.5251 13.5315 k = 0.4766 0.2751 0.2807 ( 2310 PWs) bands (ev): -38.4728 -38.4728 -17.4887 -17.4882 -16.9962 -16.9957 -16.9749 -16.9749 1.1784 1.1801 5.1422 5.1575 7.3883 7.4084 7.5385 7.5395 8.7037 8.7267 8.8626 8.8652 8.8934 8.9182 9.9887 10.0049 10.0659 10.0682 12.9286 12.9577 13.1078 13.1117 13.2105 13.2149 13.5934 13.5997 k = 0.4727 0.2729 0.2934 ( 2312 PWs) bands (ev): -38.4728 -38.4728 -17.4889 -17.4883 -16.9962 -16.9956 -16.9752 -16.9752 1.1836 1.1856 5.1589 5.1769 7.3695 7.3926 7.5383 7.5402 8.7027 8.7298 8.8644 8.8687 8.8929 8.9208 9.9572 9.9747 10.0537 10.0574 12.8979 12.9304 13.1071 13.1112 13.2008 13.2043 13.6656 13.6714 k = 0.4688 0.2706 0.3062 ( 2313 PWs) bands (ev): -38.4728 -38.4728 -17.4890 -17.4883 -16.9962 -16.9955 -16.9755 -16.9755 1.1895 1.1918 5.1781 5.1991 7.3469 7.3729 7.5394 7.5426 8.7019 8.7329 8.8658 8.8728 8.8931 8.9236 9.9224 9.9410 10.0403 10.0455 12.8671 12.9030 13.1065 13.1108 13.1902 13.1930 13.7398 13.7450 k = 0.4648 0.2684 0.3189 ( 2321 PWs) bands (ev): -38.4727 -38.4727 -17.4892 -17.4884 -16.9962 -16.9954 -16.9759 -16.9758 1.1962 1.1987 5.1999 5.2239 7.3205 7.3493 7.5420 7.5466 8.7010 8.7360 8.8667 8.8774 8.8943 8.9265 9.8850 9.9046 10.0256 10.0324 12.8355 12.8748 13.1060 13.1105 13.1795 13.1818 13.8141 13.8184 k = 0.4609 0.2661 0.3317 ( 2317 PWs) bands (ev): -38.4727 -38.4727 -17.4893 -17.4885 -16.9962 -16.9953 -16.9762 -16.9762 1.2035 1.2063 5.2242 5.2513 7.2905 7.3224 7.5458 7.5519 8.7000 8.7391 8.8670 8.8825 8.8967 8.9296 9.8456 9.8660 10.0098 10.0181 12.8026 12.8450 13.1057 13.1103 13.1696 13.1714 13.8862 13.8892 k = 0.4570 0.2639 0.3445 ( 2313 PWs) bands (ev): -38.4727 -38.4727 -17.4895 -17.4886 -16.9961 -16.9952 -16.9766 -16.9766 1.2115 1.2145 5.2509 5.2813 7.2573 7.2923 7.5508 7.5586 8.6990 8.7420 8.8668 8.8880 8.9001 8.9330 9.8046 9.8259 9.9929 10.0028 12.7676 12.8129 13.1057 13.1103 13.1612 13.1624 13.9528 13.9540 k = 0.4531 0.2616 0.3572 ( 2306 PWs) bands (ev): -38.4727 -38.4727 -17.4896 -17.4886 -16.9961 -16.9950 -16.9771 -16.9770 1.2200 1.2232 5.2798 5.3137 7.2211 7.2595 7.5570 7.5662 8.6977 8.7448 8.8663 8.8939 8.9044 8.9367 9.7628 9.7846 9.9750 9.9865 12.7303 12.7781 13.1061 13.1104 13.1547 13.1552 14.0086 14.0094 k = 0.4492 0.2594 0.3700 ( 2311 PWs) bands (ev): -38.4726 -38.4726 -17.4898 -17.4888 -16.9961 -16.9949 -16.9776 -16.9774 1.2290 1.2325 5.3108 5.3485 7.1820 7.2241 7.5640 7.5748 8.6962 8.7470 8.8657 8.9000 8.9094 8.9407 9.7202 9.7426 9.9561 9.9691 12.6904 12.7403 13.1070 13.1109 13.1503 13.1505 14.0480 14.0506 k = 0.4453 0.2571 0.3827 ( 2313 PWs) bands (ev): -38.4726 -38.4726 -17.4900 -17.4889 -16.9961 -16.9948 -16.9780 -16.9779 1.2385 1.2422 5.3439 5.3857 7.1405 7.1866 7.5719 7.5843 8.6943 8.7487 8.8653 8.9064 8.9150 8.9451 9.6776 9.7003 9.9363 9.9510 12.6479 12.6995 13.1084 13.1118 13.1476 13.1486 14.0679 14.0719 k = 0.4414 0.2548 0.3955 ( 2309 PWs) bands (ev): -38.4726 -38.4726 -17.4902 -17.4890 -16.9960 -16.9947 -16.9785 -16.9784 1.2484 1.2524 5.3789 5.4250 7.0970 7.1474 7.5806 7.5945 8.6921 8.7498 8.8652 8.9129 8.9210 8.9499 9.6351 9.6580 9.9157 9.9322 12.6029 12.6559 13.1106 13.1133 13.1472 13.1492 14.0677 14.0723 k = 0.4375 0.2526 0.4082 ( 2307 PWs) bands (ev): -38.4725 -38.4725 -17.4904 -17.4891 -16.9960 -16.9946 -16.9790 -16.9788 1.2586 1.2628 5.4155 5.4663 7.0516 7.1068 7.5901 7.6054 8.6895 8.7499 8.8657 8.9194 8.9275 8.9553 9.5931 9.6162 9.8945 9.9128 12.5558 12.6099 13.1133 13.1156 13.1489 13.1522 14.0508 14.0555 k = 0.4336 0.2503 0.4210 ( 2309 PWs) bands (ev): -38.4725 -38.4725 -17.4905 -17.4893 -16.9959 -16.9944 -16.9796 -16.9793 1.2691 1.2734 5.4535 5.5096 7.0047 7.0652 7.6002 7.6169 8.6864 8.7491 8.8668 8.9259 8.9343 8.9612 9.5519 9.5749 9.8728 9.8929 12.5069 12.5618 13.1168 13.1188 13.1527 13.1576 14.0223 14.0271 k = 0.4297 0.2481 0.4338 ( 2309 PWs) bands (ev): -38.4725 -38.4725 -17.4907 -17.4894 -16.9959 -16.9943 -16.9801 -16.9798 1.2797 1.2842 5.4928 5.5545 6.9568 7.0230 7.6109 7.6290 8.6828 8.7471 8.8686 8.9322 8.9414 8.9676 9.5117 9.5344 9.8507 9.8728 12.4567 12.5122 13.1208 13.1227 13.1584 13.1651 13.9871 13.9921 k = 0.4258 0.2458 0.4465 ( 2306 PWs) bands (ev): -38.4724 -38.4724 -17.4909 -17.4896 -16.9959 -16.9942 -16.9806 -16.9803 1.2904 1.2951 5.5328 5.6009 6.9083 6.9808 7.6222 7.6416 8.6788 8.7441 8.8711 8.9383 8.9488 8.9746 9.4727 9.4949 9.8284 9.8524 12.4057 12.4616 13.1254 13.1274 13.1659 13.1747 13.9485 13.9538 k = 0.4219 0.2436 0.4593 ( 2306 PWs) bands (ev): -38.4724 -38.4724 -17.4911 -17.4897 -16.9958 -16.9941 -16.9811 -16.9807 1.3010 1.3059 5.5734 5.6484 6.8595 6.9391 7.6340 7.6547 8.6742 8.7399 8.8744 8.9440 8.9565 8.9820 9.4352 9.4565 9.8059 9.8320 12.3542 12.4104 13.1307 13.1328 13.1753 13.1863 13.9085 13.9145 k = 0.4180 0.2413 0.4720 ( 2304 PWs) bands (ev): -38.4724 -38.4723 -17.4913 -17.4899 -16.9958 -16.9940 -16.9816 -16.9812 1.3115 1.3165 5.6140 5.6968 6.8112 6.8984 7.6463 7.6682 8.6693 8.7348 8.8782 8.9493 8.9644 8.9898 9.3993 9.4193 9.7836 9.8117 12.3028 12.3592 13.1366 13.1388 13.1863 13.1995 13.8685 13.8753 k = 0.4141 0.2391 0.4848 ( 2300 PWs) bands (ev): -38.4723 -38.4723 -17.4914 -17.4900 -16.9958 -16.9939 -16.9821 -16.9816 1.3218 1.3269 5.6541 5.7454 6.7640 6.8597 7.6590 7.6820 8.6639 8.7289 8.8826 8.9542 8.9726 8.9978 9.3653 9.3835 9.7613 9.7915 12.2518 12.3083 13.1431 13.1454 13.1988 13.2143 13.8293 13.8372 k = 0.4102 0.2368 0.4976 ( 2296 PWs) bands (ev): -38.4723 -38.4723 -17.4916 -17.4901 -16.9957 -16.9938 -16.9826 -16.9820 1.3317 1.3368 5.6930 5.7936 6.7187 6.8235 7.6721 7.6962 8.6583 8.7223 8.8872 8.9584 8.9810 9.0059 9.3333 9.3490 9.7394 9.7717 12.2017 12.2582 13.1504 13.1526 13.2127 13.2305 13.7916 13.8007 k = 0.4062 0.2345 0.5103 ( 2299 PWs) bands (ev): -38.4723 -38.4722 -17.4918 -17.4903 -16.9957 -16.9937 -16.9830 -16.9824 1.3410 1.3463 5.7300 5.8406 6.6763 6.7909 7.6855 7.7107 8.6523 8.7152 8.8921 8.9619 8.9895 9.0139 9.3037 9.3160 9.7180 9.7522 12.1526 12.2090 13.1582 13.1603 13.2277 13.2478 13.7556 13.7663 k = 0.4023 0.2323 0.5231 ( 2301 PWs) bands (ev): -38.4722 -38.4722 -17.4919 -17.4904 -16.9958 -16.9937 -16.9834 -16.9828 1.3497 1.3551 5.7641 5.8852 6.6382 6.7630 7.6992 7.7254 8.6463 8.7078 8.8970 8.9645 8.9982 9.0215 9.2769 9.2844 9.6971 9.7334 12.1048 12.1612 13.1666 13.1685 13.2436 13.2660 13.7218 13.7342 k = 0.3984 0.2300 0.5358 ( 2301 PWs) bands (ev): -38.4722 -38.4722 -17.4921 -17.4906 -16.9958 -16.9936 -16.9838 -16.9831 1.3576 1.3630 5.7945 5.9258 6.6062 6.7409 7.7132 7.7403 8.6404 8.7003 8.9018 8.9658 9.0069 9.0284 9.2531 9.2545 9.6769 9.7151 12.0587 12.1150 13.1756 13.1771 13.2600 13.2849 13.6905 13.7048 k = 0.3945 0.2278 0.5486 ( 2305 PWs) bands (ev): -38.4722 -38.4722 -17.4922 -17.4907 -16.9958 -16.9936 -16.9841 -16.9834 1.3647 1.3701 5.8200 5.9604 6.5825 6.7257 7.7275 7.7553 8.6345 8.6929 8.9063 8.9655 9.0156 9.0345 9.2262 9.2330 9.6576 9.6976 12.0143 12.0704 13.1849 13.1859 13.2767 13.3040 13.6620 13.6786 k = 0.3906 0.2255 0.5613 ( 2305 PWs) bands (ev): -38.4722 -38.4721 -17.4923 -17.4908 -16.9958 -16.9936 -16.9843 -16.9836 1.3706 1.3760 5.8399 5.9866 6.5693 6.7184 7.7419 7.7704 8.6291 8.6860 8.9104 8.9634 9.0240 9.0393 9.1998 9.2170 9.6393 9.6808 11.9718 12.0277 13.1943 13.1946 13.2932 13.3229 13.6369 13.6559 k = 0.3867 0.2233 0.5741 ( 2309 PWs) bands (ev): -38.4721 -38.4721 -17.4924 -17.4910 -16.9959 -16.9937 -16.9846 -16.9838 1.3753 1.3807 5.8537 6.0027 6.5689 6.7196 7.7564 7.7856 8.6241 8.6796 8.9140 8.9589 9.0318 9.0427 9.1759 9.2057 9.6221 9.6649 11.9312 11.9870 13.2030 13.2036 13.3088 13.3409 13.6158 13.6374 k = 0.3828 0.2210 0.5869 ( 2309 PWs) bands (ev): -38.4721 -38.4721 -17.4925 -17.4911 -16.9959 -16.9937 -16.9847 -16.9840 1.3787 1.3841 5.8611 6.0079 6.5820 6.7298 7.7710 7.8008 8.6198 8.6740 8.9169 8.9519 9.0380 9.0446 9.1552 9.1990 9.6061 9.6500 11.8927 11.9482 13.2105 13.2122 13.3229 13.3570 13.5989 13.6224 k = 0.3789 0.2188 0.5996 ( 2309 PWs) bands (ev): -38.4721 -38.4721 -17.4926 -17.4911 -16.9960 -16.9938 -16.9849 -16.9841 1.3805 1.3859 5.8626 6.0031 6.6079 6.7485 7.7857 7.8159 8.6163 8.6694 8.9188 8.9424 9.0411 9.0452 9.1394 9.1969 9.5913 9.6360 11.8563 11.9116 13.2164 13.2195 13.3348 13.3700 13.5742 13.5882 k = 0.3750 0.2165 0.6124 ( 2319 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4913 -16.9960 -16.9939 -16.9850 -16.9843 1.3807 1.3859 5.8590 5.9904 6.6446 6.7750 7.8004 7.8309 8.6137 8.6660 8.9196 8.9305 9.0393 9.0447 9.1306 9.1986 9.5779 9.6230 11.8218 11.8769 13.2194 13.2242 13.3438 13.3789 13.5367 13.5507 k = 0.6250-0.0722 0.4082 ( 2319 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4913 -16.9960 -16.9939 -16.9850 -16.9843 1.3807 1.3859 5.8590 5.9904 6.6446 6.7750 7.8004 7.8309 8.6137 8.6660 8.9196 8.9305 9.0393 9.0447 9.1306 9.1986 9.5779 9.6230 11.8218 11.8769 13.2194 13.2242 13.3438 13.3789 13.5367 13.5507 k = 0.6184-0.0836 0.4082 ( 2315 PWs) bands (ev): -38.4721 -38.4721 -17.4927 -17.4913 -16.9961 -16.9941 -16.9850 -16.9844 1.3789 1.3839 5.8477 5.9631 6.7173 6.8298 7.8254 7.8563 8.6105 8.6615 8.9075 8.9190 9.0292 9.0441 9.1251 9.2044 9.5568 9.6023 11.7670 11.8215 13.2165 13.2241 13.3564 13.3896 13.4818 13.4981 k = 0.6118-0.0950 0.4082 ( 2315 PWs) bands (ev): -38.4721 -38.4720 -17.4928 -17.4914 -16.9961 -16.9942 -16.9850 -16.9844 1.3759 1.3808 5.8343 5.9352 6.7956 6.8917 7.8506 7.8820 8.6076 8.6573 8.8823 8.9161 9.0163 9.0448 9.1241 9.2104 9.5362 9.5819 11.7146 11.7684 13.2010 13.2109 13.3684 13.3995 13.4418 13.4596 k = 0.6053-0.1064 0.4082 ( 2319 PWs) bands (ev): -38.4720 -38.4720 -17.4928 -17.4916 -16.9962 -16.9944 -16.9850 -16.9845 1.3720 1.3766 5.8192 5.9075 6.8783 6.9594 7.8759 7.9079 8.6050 8.6534 8.8553 8.9092 9.0036 9.0465 9.1262 9.2163 9.5160 9.5620 11.6646 11.7176 13.1718 13.1821 13.3800 13.4081 13.4199 13.4368 k = 0.5987-0.1177 0.4082 ( 2311 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4916 -16.9963 -16.9946 -16.9850 -16.9845 1.3673 1.3717 5.8032 5.8805 6.9644 7.0318 7.9012 7.9339 8.6028 8.6497 8.8271 8.8967 8.9941 9.0488 9.1302 9.2222 9.4965 9.5426 11.6171 11.6690 13.1318 13.1409 13.3911 13.4092 13.4195 13.4270 k = 0.5921-0.1291 0.4082 ( 2308 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4917 -16.9963 -16.9947 -16.9849 -16.9845 1.3620 1.3662 5.7868 5.8544 7.0530 7.1078 7.9263 7.9597 8.6009 8.6463 8.7979 8.8781 8.9890 9.0515 9.1356 9.2280 9.4776 9.5237 11.5718 11.6225 13.0856 13.0932 13.4016 13.4103 13.4255 13.4272 k = 0.5855-0.1405 0.4082 ( 2304 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4918 -16.9964 -16.9949 -16.9849 -16.9845 1.3564 1.3603 5.7705 5.8296 7.1433 7.1864 7.9510 7.9852 8.5990 8.6428 8.7680 8.8545 8.9878 9.0545 9.1419 9.2335 9.4596 9.5054 11.5289 11.5780 13.0373 13.0435 13.4116 13.4153 13.4285 13.4348 k = 0.5789-0.1519 0.4082 ( 2304 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4918 -16.9965 -16.9951 -16.9848 -16.9845 1.3505 1.3542 5.7545 5.8062 7.2347 7.2667 7.9751 8.0102 8.5969 8.6393 8.7377 8.8272 8.9891 9.0576 9.1488 9.2385 9.4426 9.4878 11.4881 11.5354 12.9893 12.9944 13.4211 13.4223 13.4339 13.4419 k = 0.5724-0.1633 0.4082 ( 2308 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4919 -16.9966 -16.9953 -16.9847 -16.9844 1.3446 1.3479 5.7391 5.7843 7.3264 7.3477 7.9986 8.0346 8.5940 8.6353 8.7077 8.7976 8.9924 9.0609 9.1562 9.2429 9.4268 9.4709 11.4497 11.4949 12.9430 12.9471 13.4299 13.4301 13.4402 13.4485 k = 0.5658-0.1747 0.4082 ( 2300 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4920 -16.9966 -16.9955 -16.9846 -16.9843 1.3387 1.3418 5.7247 5.7640 7.4177 7.4287 8.0211 8.0583 8.5890 8.6304 8.6794 8.7667 8.9969 9.0642 9.1640 9.2464 9.4126 9.4550 11.4136 11.4563 12.8994 12.9027 13.4379 13.4381 13.4469 13.4545 k = 0.5592-0.1861 0.4082 ( 2300 PWs) bands (ev): -38.4720 -38.4720 -17.4929 -17.4920 -16.9967 -16.9957 -16.9845 -16.9843 1.3330 1.3358 5.7113 5.7453 7.5079 7.5087 8.0426 8.0810 8.5790 8.6234 8.6554 8.7358 9.0023 9.0675 9.1719 9.2485 9.4004 9.4402 11.3798 11.4198 12.8588 12.8615 13.4454 13.4456 13.4535 13.4596 k = 0.5526-0.1975 0.4082 ( 2294 PWs) bands (ev): -38.4720 -38.4720 -17.4928 -17.4921 -16.9967 -16.9959 -16.9844 -16.9842 1.3277 1.3302 5.6992 5.7284 7.5869 7.5962 8.0629 8.1027 8.5605 8.6122 8.6396 8.7071 9.0086 9.0706 9.1799 9.2491 9.3905 9.4266 11.3487 11.3856 12.8218 12.8240 13.4523 13.4524 13.4597 13.4633 k = 0.5461-0.2089 0.4082 ( 2298 PWs) bands (ev): -38.4720 -38.4720 -17.4928 -17.4922 -16.9968 -16.9960 -16.9843 -16.9842 1.3227 1.3249 5.6885 5.7133 7.6626 7.6818 8.0820 8.1234 8.5332 8.5934 8.6317 8.6839 9.0154 9.0733 9.1875 9.2479 9.3831 9.4145 11.3203 11.3537 12.7886 12.7904 13.4564 13.4572 13.4620 13.4654 k = 0.5395-0.2203 0.4082 ( 2300 PWs) bands (ev): -38.4720 -38.4720 -17.4928 -17.4922 -16.9968 -16.9962 -16.9842 -16.9841 1.3182 1.3201 5.6792 5.6999 7.7347 7.7636 8.1001 8.1431 8.5004 8.5648 8.6288 8.6684 9.0227 9.0756 9.1946 9.2450 9.3781 9.4040 11.2950 11.3246 12.7595 12.7610 13.4379 13.4469 13.4653 13.4672 k = 0.5329-0.2317 0.4082 ( 2296 PWs) bands (ev): -38.4720 -38.4720 -17.4928 -17.4923 -16.9969 -16.9963 -16.9841 -16.9841 1.3144 1.3160 5.6714 5.6883 7.8024 7.8400 8.1178 8.1621 8.4645 8.5279 8.6284 8.6588 9.0303 9.0771 9.2009 9.2408 9.3753 9.3953 11.2732 11.2985 12.7346 12.7358 13.4126 13.4203 13.4700 13.4704 k = 0.5263-0.2431 0.4082 ( 2296 PWs) bands (ev): -38.4720 -38.4720 -17.4927 -17.4924 -16.9969 -16.9964 -16.9841 -16.9840 1.3112 1.3125 5.6653 5.6786 7.8644 7.9086 8.1366 8.1809 8.4270 8.4854 8.6293 8.6525 9.0381 9.0776 9.2063 9.2359 9.3740 9.3885 11.2551 11.2758 12.7141 12.7150 13.3887 13.3949 13.4740 13.4741 k = 0.5197-0.2545 0.4082 ( 2296 PWs) bands (ev): -38.4720 -38.4720 -17.4927 -17.4924 -16.9969 -16.9966 -16.9840 -16.9840 1.3087 1.3096 5.6608 5.6706 7.9192 7.9650 8.1595 8.2004 8.3886 8.4388 8.6309 8.6480 9.0458 9.0769 9.2106 9.2310 9.3738 9.3834 11.2412 11.2570 12.6981 12.6987 13.3686 13.3732 13.4771 13.4772 k = 0.5132-0.2659 0.4082 ( 2288 PWs) bands (ev): -38.4720 -38.4720 -17.4926 -17.4924 -16.9968 -16.9966 -16.9840 -16.9839 1.3069 1.3075 5.6580 5.6645 7.9646 8.0035 8.1911 8.2219 8.3505 8.3894 8.6331 8.6443 9.0534 9.0748 9.2140 9.2266 9.3743 9.3799 11.2318 11.2425 12.6866 12.6870 13.3535 13.3566 13.4794 13.4794 k = 0.5066-0.2773 0.4082 ( 2286 PWs) bands (ev): -38.4720 -38.4720 -17.4926 -17.4925 -16.9968 -16.9967 -16.9839 -16.9839 1.3059 1.3062 5.6570 5.6602 7.9983 8.0205 8.2326 8.2464 8.3146 8.3385 8.6356 8.6412 9.0603 9.0713 9.2169 9.2228 9.3750 9.3776 11.2271 11.2325 12.6797 12.6799 13.3444 13.3459 13.4808 13.4808 k = 0.5000-0.2887 0.4082 ( 2298 PWs) bands (ev): -38.4720 -38.4720 -17.4926 -17.4926 -16.9968 -16.9968 -16.9840 -16.9840 1.3056 1.3056 5.6577 5.6577 8.0178 8.0178 8.2678 8.2678 8.2948 8.2948 8.6382 8.6382 9.0663 9.0663 9.2197 9.2197 9.3760 9.3760 11.2273 11.2273 12.6774 12.6774 13.3418 13.3418 13.4812 13.4813 Writing output data file ScNiSb.save init_run : 1.10s CPU 0.65s WALL ( 1 calls) electrons : 271.02s CPU 169.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.15s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 271.01s CPU 169.04s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.23s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.27s CPU 0.26s WALL ( 347 calls) cegterg : 246.69s CPU 154.70s WALL ( 691 calls) Called by sum_band: Called by *egterg: h_psi : 167.08s CPU 96.87s WALL ( 11351 calls) s_psi : 6.88s CPU 4.03s WALL ( 11351 calls) g_psi : 0.23s CPU 0.13s WALL ( 10313 calls) cdiaghg : 77.69s CPU 54.59s WALL ( 10660 calls) cegterg:over : 6.12s CPU 3.90s WALL ( 10313 calls) cegterg:upda : 4.00s CPU 2.77s WALL ( 10313 calls) cegterg:last : 2.51s CPU 1.59s WALL ( 1731 calls) cdiaghg:chol : 4.21s CPU 2.90s WALL ( 10660 calls) cdiaghg:inve : 2.08s CPU 1.33s WALL ( 10660 calls) cdiaghg:para : 3.86s CPU 3.06s WALL ( 21320 calls) Called by h_psi: h_psi:vloc : 152.24s CPU 87.77s WALL ( 11351 calls) h_psi:vnl : 14.70s CPU 8.98s WALL ( 11351 calls) add_vuspsi : 9.03s CPU 5.41s WALL ( 11351 calls) General routines calbec : 5.60s CPU 3.53s WALL ( 11351 calls) fft : 0.07s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 144.43s CPU 82.90s WALL ( 722184 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.28s CPU 0.36s WALL ( 694 calls) Parallel routines fft_scatter : 57.00s CPU 34.53s WALL ( 722207 calls) PWSCF : 4m42.15s CPU 3m12.48s WALL This run was terminated on: 4:29:33 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=