Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:40:27 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: ./TaSbRu.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: 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 41 41 11 1040 1040 158 Max 42 42 12 1044 1044 162 Sum 1483 1483 421 37509 37509 5769 bravais-lattice index = 14 lattice parameter (alat) = 8.1978 a.u. unit-cell volume = 389.5653 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.197821 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 Ta read from file: /users/gautes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 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 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. # 3 for Ru read from file: /users/gautes/Pseudo/Ru.rel-pbe-oncvpsp.UPF MD5 check sum: 58833c0d2965a9b0fe5de673113ce18e Pseudo is Norm-conserving, Zval = 16.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1584 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 atomic species valence mass pseudopotential Ta 13.00 180.94790 Ta( 1.00) Sb 5.00 121.76000 Sb( 1.00) Ru 16.00 101.07000 Ru( 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= 346 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0055514 0.0078509), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0111029 0.0157019), wk = 0.0028902 k( 4) = ( 0.0288462 -0.0166543 0.0235528), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0222058 0.0314037), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0277572 0.0392546), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0333087 0.0471056), wk = 0.0028902 k( 8) = ( 0.0673077 -0.0388601 0.0549565), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0444116 0.0628074), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0499630 0.0706584), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0555145 0.0785093), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0610659 0.0863602), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0666173 0.0942111), wk = 0.0028902 k( 14) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0028902 k( 15) = ( 0.1346154 -0.0777202 0.1099130), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0832717 0.1177639), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0888231 0.1256149), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0943746 0.1334658), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0999260 0.1413167), wk = 0.0028902 k( 20) = ( 0.1826923 -0.1054775 0.1491676), wk = 0.0028902 k( 21) = ( 0.1923077 -0.1110289 0.1570186), wk = 0.0028902 k( 22) = ( 0.2019231 -0.1165803 0.1648695), wk = 0.0028902 k( 23) = ( 0.2115385 -0.1221318 0.1727204), wk = 0.0028902 k( 24) = ( 0.2211539 -0.1276832 0.1805714), wk = 0.0028902 k( 25) = ( 0.2307692 -0.1332347 0.1884223), wk = 0.0028902 k( 26) = ( 0.2403846 -0.1387861 0.1962732), wk = 0.0028902 k( 27) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0028902 k( 28) = ( 0.2596154 -0.1498890 0.2119751), wk = 0.0028902 k( 29) = ( 0.2692308 -0.1554405 0.2198260), wk = 0.0028902 k( 30) = ( 0.2788462 -0.1609919 0.2276769), wk = 0.0028902 k( 31) = ( 0.2884615 -0.1665433 0.2355279), wk = 0.0028902 k( 32) = ( 0.2980769 -0.1720948 0.2433788), wk = 0.0028902 k( 33) = ( 0.3076923 -0.1776462 0.2512297), wk = 0.0028902 k( 34) = ( 0.3173077 -0.1831977 0.2590806), wk = 0.0028902 k( 35) = ( 0.3269231 -0.1887491 0.2669316), wk = 0.0028902 k( 36) = ( 0.3365385 -0.1943006 0.2747825), wk = 0.0028902 k( 37) = ( 0.3461538 -0.1998520 0.2826334), wk = 0.0028902 k( 38) = ( 0.3557692 -0.2054035 0.2904844), wk = 0.0028902 k( 39) = ( 0.3653846 -0.2109549 0.2983353), wk = 0.0028902 k( 40) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0028902 k( 41) = ( 0.3846154 -0.2220578 0.3140371), wk = 0.0028902 k( 42) = ( 0.3942308 -0.2276092 0.3218881), wk = 0.0028902 k( 43) = ( 0.4038462 -0.2331607 0.3297390), wk = 0.0028902 k( 44) = ( 0.4134615 -0.2387121 0.3375899), wk = 0.0028902 k( 45) = ( 0.4230769 -0.2442636 0.3454409), wk = 0.0028902 k( 46) = ( 0.4326923 -0.2498150 0.3532918), wk = 0.0028902 k( 47) = ( 0.4423077 -0.2553665 0.3611427), wk = 0.0028902 k( 48) = ( 0.4519231 -0.2609179 0.3689936), wk = 0.0028902 k( 49) = ( 0.4615385 -0.2664694 0.3768446), wk = 0.0028902 k( 50) = ( 0.4711538 -0.2720208 0.3846955), wk = 0.0028902 k( 51) = ( 0.4807692 -0.2775722 0.3925464), wk = 0.0028902 k( 52) = ( 0.4903846 -0.2831237 0.4003974), wk = 0.0028902 k( 53) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 54) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 k( 55) = ( 0.5000000 -0.2775723 0.4160992), wk = 0.0028902 k( 56) = ( 0.5000000 -0.2664694 0.4239501), wk = 0.0028902 k( 57) = ( 0.5000000 -0.2553665 0.4318011), wk = 0.0028902 k( 58) = ( 0.5000000 -0.2442636 0.4396520), wk = 0.0028902 k( 59) = ( 0.5000000 -0.2331607 0.4475029), wk = 0.0028902 k( 60) = ( 0.5000000 -0.2220578 0.4553539), wk = 0.0028902 k( 61) = ( 0.5000000 -0.2109549 0.4632048), wk = 0.0028902 k( 62) = ( 0.5000000 -0.1998520 0.4710557), wk = 0.0028902 k( 63) = ( 0.5000000 -0.1887491 0.4789066), wk = 0.0028902 k( 64) = ( 0.5000000 -0.1776462 0.4867576), wk = 0.0028902 k( 65) = ( 0.5000000 -0.1665433 0.4946085), wk = 0.0028902 k( 66) = ( 0.5000000 -0.1554405 0.5024594), wk = 0.0028902 k( 67) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0028902 k( 68) = ( 0.5000000 -0.1332347 0.5181613), wk = 0.0028902 k( 69) = ( 0.5000000 -0.1221318 0.5260122), wk = 0.0028902 k( 70) = ( 0.5000000 -0.1110289 0.5338631), wk = 0.0028902 k( 71) = ( 0.5000000 -0.0999260 0.5417141), wk = 0.0028902 k( 72) = ( 0.5000000 -0.0888231 0.5495650), wk = 0.0028902 k( 73) = ( 0.5000000 -0.0777202 0.5574159), wk = 0.0028902 k( 74) = ( 0.5000000 -0.0666173 0.5652669), wk = 0.0028902 k( 75) = ( 0.5000000 -0.0555144 0.5731178), wk = 0.0028902 k( 76) = ( 0.5000000 -0.0444116 0.5809687), wk = 0.0028902 k( 77) = ( 0.5000000 -0.0333087 0.5888197), wk = 0.0028902 k( 78) = ( 0.5000000 -0.0222058 0.5966706), wk = 0.0028902 k( 79) = ( 0.5000000 -0.0111029 0.6045215), wk = 0.0028902 k( 80) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 81) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 82) = ( 0.4934211 0.0113951 0.6123724), wk = 0.0028902 k( 83) = ( 0.4868421 0.0227901 0.6123724), wk = 0.0028902 k( 84) = ( 0.4802632 0.0341852 0.6123724), wk = 0.0028902 k( 85) = ( 0.4736842 0.0455803 0.6123724), wk = 0.0028902 k( 86) = ( 0.4671053 0.0569754 0.6123724), wk = 0.0028902 k( 87) = ( 0.4605263 0.0683704 0.6123724), wk = 0.0028902 k( 88) = ( 0.4539474 0.0797655 0.6123724), wk = 0.0028902 k( 89) = ( 0.4473684 0.0911606 0.6123724), wk = 0.0028902 k( 90) = ( 0.4407895 0.1025556 0.6123724), wk = 0.0028902 k( 91) = ( 0.4342105 0.1139507 0.6123724), wk = 0.0028902 k( 92) = ( 0.4276316 0.1253458 0.6123724), wk = 0.0028902 k( 93) = ( 0.4210526 0.1367409 0.6123724), wk = 0.0028902 k( 94) = ( 0.4144737 0.1481359 0.6123724), wk = 0.0028902 k( 95) = ( 0.4078947 0.1595310 0.6123724), wk = 0.0028902 k( 96) = ( 0.4013158 0.1709261 0.6123724), wk = 0.0028902 k( 97) = ( 0.3947368 0.1823211 0.6123724), wk = 0.0028902 k( 98) = ( 0.3881579 0.1937162 0.6123724), wk = 0.0028902 k( 99) = ( 0.3815789 0.2051113 0.6123724), wk = 0.0028902 k( 100) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 101) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 102) = ( 0.3681818 0.2125699 0.6012384), wk = 0.0028902 k( 103) = ( 0.3613636 0.2086334 0.5901043), wk = 0.0028902 k( 104) = ( 0.3545454 0.2046969 0.5789703), wk = 0.0028902 k( 105) = ( 0.3477273 0.2007604 0.5678363), wk = 0.0028902 k( 106) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0028902 k( 107) = ( 0.3340909 0.1928875 0.5455682), wk = 0.0028902 k( 108) = ( 0.3272727 0.1889510 0.5344341), wk = 0.0028902 k( 109) = ( 0.3204546 0.1850145 0.5233001), wk = 0.0028902 k( 110) = ( 0.3136364 0.1810780 0.5121660), wk = 0.0028902 k( 111) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0028902 k( 112) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0028902 k( 113) = ( 0.2931818 0.1692686 0.4787639), wk = 0.0028902 k( 114) = ( 0.2863636 0.1653321 0.4676299), wk = 0.0028902 k( 115) = ( 0.2795454 0.1613956 0.4564958), wk = 0.0028902 k( 116) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0028902 k( 117) = ( 0.2659091 0.1535227 0.4342277), wk = 0.0028902 k( 118) = ( 0.2590909 0.1495862 0.4230937), wk = 0.0028902 k( 119) = ( 0.2522727 0.1456497 0.4119596), wk = 0.0028902 k( 120) = ( 0.2454545 0.1417133 0.4008256), wk = 0.0028902 k( 121) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0028902 k( 122) = ( 0.2318182 0.1338403 0.3785575), wk = 0.0028902 k( 123) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0028902 k( 124) = ( 0.2181818 0.1259673 0.3562894), wk = 0.0028902 k( 125) = ( 0.2113636 0.1220309 0.3451554), wk = 0.0028902 k( 126) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0028902 k( 127) = ( 0.1977273 0.1141579 0.3228873), wk = 0.0028902 k( 128) = ( 0.1909091 0.1102214 0.3117532), wk = 0.0028902 k( 129) = ( 0.1840909 0.1062849 0.3006192), wk = 0.0028902 k( 130) = ( 0.1772727 0.1023485 0.2894851), wk = 0.0028902 k( 131) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0028902 k( 132) = ( 0.1636364 0.0944755 0.2672171), wk = 0.0028902 k( 133) = ( 0.1568182 0.0905390 0.2560830), wk = 0.0028902 k( 134) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0028902 k( 135) = ( 0.1431818 0.0826661 0.2338149), wk = 0.0028902 k( 136) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0028902 k( 137) = ( 0.1295455 0.0747931 0.2115468), wk = 0.0028902 k( 138) = ( 0.1227273 0.0708566 0.2004128), wk = 0.0028902 k( 139) = ( 0.1159091 0.0669201 0.1892788), wk = 0.0028902 k( 140) = ( 0.1090909 0.0629837 0.1781447), wk = 0.0028902 k( 141) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0028902 k( 142) = ( 0.0954545 0.0551107 0.1558766), wk = 0.0028902 k( 143) = ( 0.0886364 0.0511742 0.1447426), wk = 0.0028902 k( 144) = ( 0.0818182 0.0472377 0.1336085), wk = 0.0028902 k( 145) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0028902 k( 146) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0028902 k( 147) = ( 0.0613636 0.0354283 0.1002064), wk = 0.0028902 k( 148) = ( 0.0545455 0.0314918 0.0890724), wk = 0.0028902 k( 149) = ( 0.0477273 0.0275554 0.0779383), wk = 0.0028902 k( 150) = ( 0.0409091 0.0236189 0.0668043), wk = 0.0028902 k( 151) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0028902 k( 152) = ( 0.0272727 0.0157459 0.0445362), wk = 0.0028902 k( 153) = ( 0.0204545 0.0118094 0.0334021), wk = 0.0028902 k( 154) = ( 0.0136364 0.0078730 0.0222681), wk = 0.0028902 k( 155) = ( 0.0068182 0.0039365 0.0111340), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0064150 0.0045361), wk = 0.0028902 k( 159) = ( 0.0222222 0.0128300 0.0090722), wk = 0.0028902 k( 160) = ( 0.0333333 0.0192450 0.0136083), wk = 0.0028902 k( 161) = ( 0.0444444 0.0256600 0.0181444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0028902 k( 163) = ( 0.0666667 0.0384900 0.0272166), wk = 0.0028902 k( 164) = ( 0.0777778 0.0449050 0.0317526), wk = 0.0028902 k( 165) = ( 0.0888889 0.0513200 0.0362887), wk = 0.0028902 k( 166) = ( 0.1000000 0.0577350 0.0408248), wk = 0.0028902 k( 167) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0028902 k( 168) = ( 0.1222222 0.0705650 0.0498970), wk = 0.0028902 k( 169) = ( 0.1333333 0.0769800 0.0544331), wk = 0.0028902 k( 170) = ( 0.1444444 0.0833950 0.0589692), wk = 0.0028902 k( 171) = ( 0.1555556 0.0898100 0.0635053), wk = 0.0028902 k( 172) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0028902 k( 173) = ( 0.1777778 0.1026400 0.0725775), wk = 0.0028902 k( 174) = ( 0.1888889 0.1090551 0.0771136), wk = 0.0028902 k( 175) = ( 0.2000000 0.1154701 0.0816497), wk = 0.0028902 k( 176) = ( 0.2111111 0.1218851 0.0861857), wk = 0.0028902 k( 177) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0028902 k( 178) = ( 0.2333333 0.1347151 0.0952579), wk = 0.0028902 k( 179) = ( 0.2444444 0.1411301 0.0997940), wk = 0.0028902 k( 180) = ( 0.2555556 0.1475451 0.1043301), wk = 0.0028902 k( 181) = ( 0.2666667 0.1539601 0.1088662), wk = 0.0028902 k( 182) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0028902 k( 183) = ( 0.2888889 0.1667901 0.1179384), wk = 0.0028902 k( 184) = ( 0.3000000 0.1732051 0.1224745), wk = 0.0028902 k( 185) = ( 0.3111111 0.1796201 0.1270106), wk = 0.0028902 k( 186) = ( 0.3222222 0.1860351 0.1315467), wk = 0.0028902 k( 187) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0028902 k( 188) = ( 0.3444444 0.1988651 0.1406189), wk = 0.0028902 k( 189) = ( 0.3555556 0.2052801 0.1451549), wk = 0.0028902 k( 190) = ( 0.3666667 0.2116951 0.1496910), wk = 0.0028902 k( 191) = ( 0.3777778 0.2181101 0.1542271), wk = 0.0028902 k( 192) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0028902 k( 193) = ( 0.4000000 0.2309401 0.1632993), wk = 0.0028902 k( 194) = ( 0.4111111 0.2373551 0.1678354), wk = 0.0028902 k( 195) = ( 0.4222222 0.2437701 0.1723715), wk = 0.0028902 k( 196) = ( 0.4333333 0.2501851 0.1769076), wk = 0.0028902 k( 197) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0028902 k( 198) = ( 0.4555556 0.2630151 0.1859798), wk = 0.0028902 k( 199) = ( 0.4666667 0.2694301 0.1905159), wk = 0.0028902 k( 200) = ( 0.4777778 0.2758451 0.1950520), wk = 0.0028902 k( 201) = ( 0.4888889 0.2822601 0.1995881), wk = 0.0028902 k( 202) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 203) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 204) = ( 0.5039062 0.2773988 0.2105030), wk = 0.0028902 k( 205) = ( 0.5078125 0.2661224 0.2168819), wk = 0.0028902 k( 206) = ( 0.5117188 0.2548460 0.2232608), wk = 0.0028902 k( 207) = ( 0.5156250 0.2435696 0.2296397), wk = 0.0028902 k( 208) = ( 0.5195312 0.2322933 0.2360185), wk = 0.0028902 k( 209) = ( 0.5234375 0.2210169 0.2423974), wk = 0.0028902 k( 210) = ( 0.5273438 0.2097405 0.2487763), wk = 0.0028902 k( 211) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0028902 k( 212) = ( 0.5351562 0.1871878 0.2615341), wk = 0.0028902 k( 213) = ( 0.5390625 0.1759114 0.2679129), wk = 0.0028902 k( 214) = ( 0.5429688 0.1646350 0.2742918), wk = 0.0028902 k( 215) = ( 0.5468750 0.1533587 0.2806707), wk = 0.0028902 k( 216) = ( 0.5507812 0.1420823 0.2870496), wk = 0.0028902 k( 217) = ( 0.5546875 0.1308059 0.2934285), wk = 0.0028902 k( 218) = ( 0.5585938 0.1195295 0.2998073), wk = 0.0028902 k( 219) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0028902 k( 220) = ( 0.5664062 0.0969768 0.3125651), wk = 0.0028902 k( 221) = ( 0.5703125 0.0857004 0.3189440), wk = 0.0028902 k( 222) = ( 0.5742188 0.0744241 0.3253229), wk = 0.0028902 k( 223) = ( 0.5781250 0.0631477 0.3317017), wk = 0.0028902 k( 224) = ( 0.5820312 0.0518713 0.3380806), wk = 0.0028902 k( 225) = ( 0.5859375 0.0405949 0.3444595), wk = 0.0028902 k( 226) = ( 0.5898438 0.0293186 0.3508384), wk = 0.0028902 k( 227) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0028902 k( 228) = ( 0.5976562 0.0067658 0.3635961), wk = 0.0028902 k( 229) = ( 0.6015625 -0.0045105 0.3699750), wk = 0.0028902 k( 230) = ( 0.6054688 -0.0157869 0.3763539), wk = 0.0028902 k( 231) = ( 0.6093750 -0.0270633 0.3827328), wk = 0.0028902 k( 232) = ( 0.6132812 -0.0383397 0.3891117), wk = 0.0028902 k( 233) = ( 0.6171875 -0.0496160 0.3954905), wk = 0.0028902 k( 234) = ( 0.6210938 -0.0608924 0.4018694), wk = 0.0028902 k( 235) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 236) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 237) = ( 0.6184211 -0.0683704 0.4189917), wk = 0.0028902 k( 238) = ( 0.6118421 -0.0645721 0.4297350), wk = 0.0028902 k( 239) = ( 0.6052632 -0.0607737 0.4404784), wk = 0.0028902 k( 240) = ( 0.5986842 -0.0569754 0.4512218), wk = 0.0028902 k( 241) = ( 0.5921053 -0.0531770 0.4619652), wk = 0.0028902 k( 242) = ( 0.5855263 -0.0493786 0.4727085), wk = 0.0028902 k( 243) = ( 0.5789474 -0.0455803 0.4834519), wk = 0.0028902 k( 244) = ( 0.5723684 -0.0417819 0.4941953), wk = 0.0028902 k( 245) = ( 0.5657895 -0.0379836 0.5049387), wk = 0.0028902 k( 246) = ( 0.5592105 -0.0341852 0.5156820), wk = 0.0028902 k( 247) = ( 0.5526316 -0.0303869 0.5264254), wk = 0.0028902 k( 248) = ( 0.5460526 -0.0265885 0.5371688), wk = 0.0028902 k( 249) = ( 0.5394737 -0.0227901 0.5479122), wk = 0.0028902 k( 250) = ( 0.5328947 -0.0189918 0.5586556), wk = 0.0028902 k( 251) = ( 0.5263158 -0.0151934 0.5693989), wk = 0.0028902 k( 252) = ( 0.5197368 -0.0113951 0.5801423), wk = 0.0028902 k( 253) = ( 0.5131579 -0.0075967 0.5908857), wk = 0.0028902 k( 254) = ( 0.5065789 -0.0037984 0.6016291), wk = 0.0028902 k( 255) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 256) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0028902 k( 257) = ( 0.5000000 0.0078020 0.6013387), wk = 0.0028902 k( 258) = ( 0.5000000 0.0156041 0.5903050), wk = 0.0028902 k( 259) = ( 0.5000000 0.0234061 0.5792712), wk = 0.0028902 k( 260) = ( 0.5000000 0.0312081 0.5682375), wk = 0.0028902 k( 261) = ( 0.5000000 0.0390101 0.5572038), wk = 0.0028902 k( 262) = ( 0.5000000 0.0468122 0.5461700), wk = 0.0028902 k( 263) = ( 0.5000000 0.0546142 0.5351363), wk = 0.0028902 k( 264) = ( 0.5000000 0.0624162 0.5241025), wk = 0.0028902 k( 265) = ( 0.5000000 0.0702183 0.5130688), wk = 0.0028902 k( 266) = ( 0.5000000 0.0780203 0.5020351), wk = 0.0028902 k( 267) = ( 0.5000000 0.0858223 0.4910013), wk = 0.0028902 k( 268) = ( 0.5000000 0.0936244 0.4799676), wk = 0.0028902 k( 269) = ( 0.5000000 0.1014264 0.4689338), wk = 0.0028902 k( 270) = ( 0.5000000 0.1092284 0.4579001), wk = 0.0028902 k( 271) = ( 0.5000000 0.1170305 0.4468664), wk = 0.0028902 k( 272) = ( 0.5000000 0.1248325 0.4358326), wk = 0.0028902 k( 273) = ( 0.5000000 0.1326345 0.4247989), wk = 0.0028902 k( 274) = ( 0.5000000 0.1404366 0.4137652), wk = 0.0028902 k( 275) = ( 0.5000000 0.1482386 0.4027314), wk = 0.0028902 k( 276) = ( 0.5000000 0.1560406 0.3916977), wk = 0.0028902 k( 277) = ( 0.5000000 0.1638426 0.3806639), wk = 0.0028902 k( 278) = ( 0.5000000 0.1716447 0.3696302), wk = 0.0028902 k( 279) = ( 0.5000000 0.1794467 0.3585965), wk = 0.0028902 k( 280) = ( 0.5000000 0.1872487 0.3475627), wk = 0.0028902 k( 281) = ( 0.5000000 0.1950508 0.3365290), wk = 0.0028902 k( 282) = ( 0.5000000 0.2028528 0.3254953), wk = 0.0028902 k( 283) = ( 0.5000000 0.2106548 0.3144615), wk = 0.0028902 k( 284) = ( 0.5000000 0.2184569 0.3034278), wk = 0.0028902 k( 285) = ( 0.5000000 0.2262589 0.2923940), wk = 0.0028902 k( 286) = ( 0.5000000 0.2340609 0.2813603), wk = 0.0028902 k( 287) = ( 0.5000000 0.2418630 0.2703266), wk = 0.0028902 k( 288) = ( 0.5000000 0.2496650 0.2592928), wk = 0.0028902 k( 289) = ( 0.5000000 0.2574670 0.2482591), wk = 0.0028902 k( 290) = ( 0.5000000 0.2652690 0.2372254), wk = 0.0028902 k( 291) = ( 0.5000000 0.2730711 0.2261916), wk = 0.0028902 k( 292) = ( 0.5000000 0.2808731 0.2151579), wk = 0.0028902 k( 293) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 294) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0028902 k( 295) = ( 0.4960938 0.2864199 0.2168819), wk = 0.0028902 k( 296) = ( 0.4921875 0.2841646 0.2296397), wk = 0.0028902 k( 297) = ( 0.4882812 0.2819093 0.2423974), wk = 0.0028902 k( 298) = ( 0.4843750 0.2796540 0.2551552), wk = 0.0028902 k( 299) = ( 0.4804688 0.2773988 0.2679129), wk = 0.0028902 k( 300) = ( 0.4765625 0.2751435 0.2806707), wk = 0.0028902 k( 301) = ( 0.4726562 0.2728882 0.2934285), wk = 0.0028902 k( 302) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0028902 k( 303) = ( 0.4648438 0.2683777 0.3189440), wk = 0.0028902 k( 304) = ( 0.4609375 0.2661224 0.3317017), wk = 0.0028902 k( 305) = ( 0.4570312 0.2638671 0.3444595), wk = 0.0028902 k( 306) = ( 0.4531250 0.2616118 0.3572173), wk = 0.0028902 k( 307) = ( 0.4492188 0.2593566 0.3699750), wk = 0.0028902 k( 308) = ( 0.4453125 0.2571013 0.3827328), wk = 0.0028902 k( 309) = ( 0.4414062 0.2548460 0.3954905), wk = 0.0028902 k( 310) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0028902 k( 311) = ( 0.4335938 0.2503355 0.4210060), wk = 0.0028902 k( 312) = ( 0.4296875 0.2480802 0.4337638), wk = 0.0028902 k( 313) = ( 0.4257812 0.2458249 0.4465216), wk = 0.0028902 k( 314) = ( 0.4218750 0.2435696 0.4592793), wk = 0.0028902 k( 315) = ( 0.4179688 0.2413144 0.4720371), wk = 0.0028902 k( 316) = ( 0.4140625 0.2390591 0.4847948), wk = 0.0028902 k( 317) = ( 0.4101562 0.2368038 0.4975526), wk = 0.0028902 k( 318) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0028902 k( 319) = ( 0.4023438 0.2322933 0.5230681), wk = 0.0028902 k( 320) = ( 0.3984375 0.2300380 0.5358259), wk = 0.0028902 k( 321) = ( 0.3945312 0.2277827 0.5485836), wk = 0.0028902 k( 322) = ( 0.3906250 0.2255274 0.5613414), wk = 0.0028902 k( 323) = ( 0.3867188 0.2232722 0.5740992), wk = 0.0028902 k( 324) = ( 0.3828125 0.2210169 0.5868569), wk = 0.0028902 k( 325) = ( 0.3789062 0.2187616 0.5996147), wk = 0.0028902 k( 326) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0028902 k( 327) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0028902 k( 328) = ( 0.6184211 -0.0835638 0.4082483), wk = 0.0028902 k( 329) = ( 0.6118421 -0.0949589 0.4082483), wk = 0.0028902 k( 330) = ( 0.6052632 -0.1063540 0.4082483), wk = 0.0028902 k( 331) = ( 0.5986842 -0.1177491 0.4082483), wk = 0.0028902 k( 332) = ( 0.5921053 -0.1291441 0.4082483), wk = 0.0028902 k( 333) = ( 0.5855263 -0.1405392 0.4082483), wk = 0.0028902 k( 334) = ( 0.5789474 -0.1519343 0.4082483), wk = 0.0028902 k( 335) = ( 0.5723684 -0.1633294 0.4082483), wk = 0.0028902 k( 336) = ( 0.5657895 -0.1747244 0.4082483), wk = 0.0028902 k( 337) = ( 0.5592105 -0.1861195 0.4082483), wk = 0.0028902 k( 338) = ( 0.5526316 -0.1975146 0.4082483), wk = 0.0028902 k( 339) = ( 0.5460526 -0.2089096 0.4082483), wk = 0.0028902 k( 340) = ( 0.5394737 -0.2203047 0.4082483), wk = 0.0028902 k( 341) = ( 0.5328947 -0.2316998 0.4082483), wk = 0.0028902 k( 342) = ( 0.5263158 -0.2430948 0.4082483), wk = 0.0028902 k( 343) = ( 0.5197368 -0.2544899 0.4082483), wk = 0.0028902 k( 344) = ( 0.5131579 -0.2658850 0.4082483), wk = 0.0028902 k( 345) = ( 0.5065789 -0.2772801 0.4082483), wk = 0.0028902 k( 346) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0028902 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 2) = ( 0.0096154 -0.0000000 0.0096154), wk = 0.0028902 k( 3) = ( 0.0192308 -0.0000000 0.0192308), wk = 0.0028902 k( 4) = ( 0.0288462 -0.0000000 0.0288462), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0000000 0.0384615), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0000000 0.0480769), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0000000 0.0576923), wk = 0.0028902 k( 8) = ( 0.0673077 0.0000000 0.0673077), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0000000 0.0865385), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0000000 0.0961539), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0000000 0.1057692), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0028902 k( 14) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0028902 k( 15) = ( 0.1346154 0.0000000 0.1346154), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0000000 0.1442308), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0000000 0.1538462), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0000000 0.1634615), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0000000 0.1730769), wk = 0.0028902 k( 20) = ( 0.1826923 0.0000000 0.1826923), wk = 0.0028902 k( 21) = ( 0.1923077 -0.0000000 0.1923077), wk = 0.0028902 k( 22) = ( 0.2019231 -0.0000000 0.2019231), wk = 0.0028902 k( 23) = ( 0.2115385 -0.0000000 0.2115385), wk = 0.0028902 k( 24) = ( 0.2211539 -0.0000000 0.2211539), wk = 0.0028902 k( 25) = ( 0.2307692 -0.0000000 0.2307692), wk = 0.0028902 k( 26) = ( 0.2403846 -0.0000000 0.2403846), wk = 0.0028902 k( 27) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028902 k( 28) = ( 0.2596154 -0.0000000 0.2596154), wk = 0.0028902 k( 29) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0028902 k( 30) = ( 0.2788462 0.0000000 0.2788462), wk = 0.0028902 k( 31) = ( 0.2884615 -0.0000000 0.2884615), wk = 0.0028902 k( 32) = ( 0.2980769 0.0000000 0.2980769), wk = 0.0028902 k( 33) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0028902 k( 34) = ( 0.3173077 -0.0000000 0.3173077), wk = 0.0028902 k( 35) = ( 0.3269231 -0.0000000 0.3269231), wk = 0.0028902 k( 36) = ( 0.3365385 0.0000000 0.3365385), wk = 0.0028902 k( 37) = ( 0.3461538 -0.0000000 0.3461539), wk = 0.0028902 k( 38) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0028902 k( 39) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0028902 k( 40) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0028902 k( 41) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0028902 k( 42) = ( 0.3942308 -0.0000000 0.3942308), wk = 0.0028902 k( 43) = ( 0.4038462 -0.0000000 0.4038462), wk = 0.0028902 k( 44) = ( 0.4134615 -0.0000000 0.4134615), wk = 0.0028902 k( 45) = ( 0.4230769 -0.0000000 0.4230769), wk = 0.0028902 k( 46) = ( 0.4326923 -0.0000000 0.4326923), wk = 0.0028902 k( 47) = ( 0.4423077 0.0000000 0.4423077), wk = 0.0028902 k( 48) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0028902 k( 49) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0028902 k( 50) = ( 0.4711538 -0.0000000 0.4711539), wk = 0.0028902 k( 51) = ( 0.4807692 -0.0000000 0.4807692), wk = 0.0028902 k( 52) = ( 0.4903846 -0.0000000 0.4903846), wk = 0.0028902 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 55) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0028902 k( 56) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0028902 k( 57) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0028902 k( 58) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0028902 k( 59) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0028902 k( 60) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0028902 k( 61) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0028902 k( 62) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0028902 k( 63) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0028902 k( 64) = ( 0.5000000 0.0961538 0.5961539), wk = 0.0028902 k( 65) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0028902 k( 66) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0028902 k( 67) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0028902 k( 68) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0028902 k( 69) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0028902 k( 70) = ( 0.5000000 0.1538461 0.6538462), wk = 0.0028902 k( 71) = ( 0.5000000 0.1634615 0.6634615), wk = 0.0028902 k( 72) = ( 0.5000000 0.1730769 0.6730769), wk = 0.0028902 k( 73) = ( 0.5000000 0.1826923 0.6826923), wk = 0.0028902 k( 74) = ( 0.5000000 0.1923077 0.6923077), wk = 0.0028902 k( 75) = ( 0.5000000 0.2019231 0.7019231), wk = 0.0028902 k( 76) = ( 0.5000000 0.2115385 0.7115385), wk = 0.0028902 k( 77) = ( 0.5000000 0.2211539 0.7211538), wk = 0.0028902 k( 78) = ( 0.5000000 0.2307692 0.7307692), wk = 0.0028902 k( 79) = ( 0.5000000 0.2403846 0.7403846), wk = 0.0028902 k( 80) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 81) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 82) = ( 0.4934211 0.2565789 0.7500000), wk = 0.0028902 k( 83) = ( 0.4868421 0.2631579 0.7500000), wk = 0.0028902 k( 84) = ( 0.4802632 0.2697368 0.7500000), wk = 0.0028902 k( 85) = ( 0.4736842 0.2763158 0.7500000), wk = 0.0028902 k( 86) = ( 0.4671053 0.2828947 0.7500000), wk = 0.0028902 k( 87) = ( 0.4605263 0.2894737 0.7500000), wk = 0.0028902 k( 88) = ( 0.4539474 0.2960526 0.7500000), wk = 0.0028902 k( 89) = ( 0.4473684 0.3026316 0.7500000), wk = 0.0028902 k( 90) = ( 0.4407895 0.3092105 0.7500000), wk = 0.0028902 k( 91) = ( 0.4342105 0.3157895 0.7500000), wk = 0.0028902 k( 92) = ( 0.4276316 0.3223684 0.7500000), wk = 0.0028902 k( 93) = ( 0.4210526 0.3289474 0.7500000), wk = 0.0028902 k( 94) = ( 0.4144737 0.3355263 0.7500000), wk = 0.0028902 k( 95) = ( 0.4078947 0.3421053 0.7500000), wk = 0.0028902 k( 96) = ( 0.4013158 0.3486842 0.7500000), wk = 0.0028902 k( 97) = ( 0.3947368 0.3552632 0.7500000), wk = 0.0028902 k( 98) = ( 0.3881579 0.3618421 0.7500000), wk = 0.0028902 k( 99) = ( 0.3815789 0.3684211 0.7500000), wk = 0.0028902 k( 100) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 101) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 102) = ( 0.3681818 0.3681818 0.7363636), wk = 0.0028902 k( 103) = ( 0.3613636 0.3613636 0.7227273), wk = 0.0028902 k( 104) = ( 0.3545454 0.3545454 0.7090909), wk = 0.0028902 k( 105) = ( 0.3477273 0.3477273 0.6954546), wk = 0.0028902 k( 106) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0028902 k( 107) = ( 0.3340909 0.3340909 0.6681818), wk = 0.0028902 k( 108) = ( 0.3272727 0.3272727 0.6545455), wk = 0.0028902 k( 109) = ( 0.3204546 0.3204546 0.6409091), wk = 0.0028902 k( 110) = ( 0.3136364 0.3136364 0.6272727), wk = 0.0028902 k( 111) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0028902 k( 112) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0028902 k( 113) = ( 0.2931818 0.2931818 0.5863636), wk = 0.0028902 k( 114) = ( 0.2863636 0.2863636 0.5727273), wk = 0.0028902 k( 115) = ( 0.2795454 0.2795454 0.5590909), wk = 0.0028902 k( 116) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0028902 k( 117) = ( 0.2659091 0.2659091 0.5318182), wk = 0.0028902 k( 118) = ( 0.2590909 0.2590909 0.5181818), wk = 0.0028902 k( 119) = ( 0.2522727 0.2522727 0.5045455), wk = 0.0028902 k( 120) = ( 0.2454545 0.2454545 0.4909091), wk = 0.0028902 k( 121) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0028902 k( 122) = ( 0.2318182 0.2318182 0.4636364), wk = 0.0028902 k( 123) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0028902 k( 124) = ( 0.2181818 0.2181818 0.4363636), wk = 0.0028902 k( 125) = ( 0.2113636 0.2113636 0.4227273), wk = 0.0028902 k( 126) = ( 0.2045454 0.2045455 0.4090909), wk = 0.0028902 k( 127) = ( 0.1977273 0.1977273 0.3954546), wk = 0.0028902 k( 128) = ( 0.1909091 0.1909091 0.3818182), wk = 0.0028902 k( 129) = ( 0.1840909 0.1840909 0.3681818), wk = 0.0028902 k( 130) = ( 0.1772727 0.1772727 0.3545455), wk = 0.0028902 k( 131) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0028902 k( 132) = ( 0.1636364 0.1636364 0.3272727), wk = 0.0028902 k( 133) = ( 0.1568182 0.1568182 0.3136364), wk = 0.0028902 k( 134) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0028902 k( 135) = ( 0.1431818 0.1431818 0.2863636), wk = 0.0028902 k( 136) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0028902 k( 137) = ( 0.1295455 0.1295455 0.2590909), wk = 0.0028902 k( 138) = ( 0.1227273 0.1227273 0.2454546), wk = 0.0028902 k( 139) = ( 0.1159091 0.1159091 0.2318182), wk = 0.0028902 k( 140) = ( 0.1090909 0.1090909 0.2181818), wk = 0.0028902 k( 141) = ( 0.1022727 0.1022727 0.2045455), wk = 0.0028902 k( 142) = ( 0.0954545 0.0954546 0.1909091), wk = 0.0028902 k( 143) = ( 0.0886364 0.0886364 0.1772727), wk = 0.0028902 k( 144) = ( 0.0818182 0.0818182 0.1636364), wk = 0.0028902 k( 145) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0028902 k( 146) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0028902 k( 147) = ( 0.0613636 0.0613636 0.1227273), wk = 0.0028902 k( 148) = ( 0.0545455 0.0545455 0.1090909), wk = 0.0028902 k( 149) = ( 0.0477273 0.0477273 0.0954546), wk = 0.0028902 k( 150) = ( 0.0409091 0.0409091 0.0818182), wk = 0.0028902 k( 151) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0028902 k( 152) = ( 0.0272727 0.0272727 0.0545455), wk = 0.0028902 k( 153) = ( 0.0204545 0.0204545 0.0409091), wk = 0.0028902 k( 154) = ( 0.0136364 0.0136364 0.0272727), wk = 0.0028902 k( 155) = ( 0.0068182 0.0068182 0.0136364), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0028902 k( 159) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0028902 k( 160) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0028902 k( 161) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028902 k( 163) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0028902 k( 164) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0028902 k( 165) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0028902 k( 166) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028902 k( 167) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028902 k( 168) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0028902 k( 169) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0028902 k( 170) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0028902 k( 171) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0028902 k( 172) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028902 k( 173) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0028902 k( 174) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0028902 k( 175) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028902 k( 176) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0028902 k( 177) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028902 k( 178) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0028902 k( 179) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0028902 k( 180) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0028902 k( 181) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0028902 k( 182) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028902 k( 183) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0028902 k( 184) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028902 k( 185) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0028902 k( 186) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0028902 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028902 k( 188) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0028902 k( 189) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0028902 k( 190) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0028902 k( 191) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0028902 k( 192) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028902 k( 193) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028902 k( 194) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0028902 k( 195) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0028902 k( 196) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0028902 k( 197) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028902 k( 198) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0028902 k( 199) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0028902 k( 200) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0028902 k( 201) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0028902 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 204) = ( 0.5039062 0.4921875 0.5039063), wk = 0.0028902 k( 205) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028902 k( 206) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0028902 k( 207) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028902 k( 208) = ( 0.5195312 0.4609375 0.5195313), wk = 0.0028902 k( 209) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028902 k( 210) = ( 0.5273438 0.4453125 0.5273438), wk = 0.0028902 k( 211) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028902 k( 212) = ( 0.5351562 0.4296875 0.5351563), wk = 0.0028902 k( 213) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028902 k( 214) = ( 0.5429688 0.4140625 0.5429688), wk = 0.0028902 k( 215) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028902 k( 216) = ( 0.5507812 0.3984375 0.5507813), wk = 0.0028902 k( 217) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028902 k( 218) = ( 0.5585938 0.3828125 0.5585938), wk = 0.0028902 k( 219) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028902 k( 220) = ( 0.5664062 0.3671875 0.5664063), wk = 0.0028902 k( 221) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028902 k( 222) = ( 0.5742188 0.3515625 0.5742188), wk = 0.0028902 k( 223) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028902 k( 224) = ( 0.5820312 0.3359375 0.5820313), wk = 0.0028902 k( 225) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028902 k( 226) = ( 0.5898438 0.3203125 0.5898438), wk = 0.0028902 k( 227) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028902 k( 228) = ( 0.5976562 0.3046875 0.5976563), wk = 0.0028902 k( 229) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028902 k( 230) = ( 0.6054688 0.2890625 0.6054688), wk = 0.0028902 k( 231) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028902 k( 232) = ( 0.6132812 0.2734375 0.6132813), wk = 0.0028902 k( 233) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028902 k( 234) = ( 0.6210938 0.2578125 0.6210938), wk = 0.0028902 k( 235) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 236) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 237) = ( 0.6184211 0.2500000 0.6315790), wk = 0.0028902 k( 238) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028902 k( 239) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028902 k( 240) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028902 k( 241) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028902 k( 242) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028902 k( 243) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028902 k( 244) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028902 k( 245) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028902 k( 246) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028902 k( 247) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028902 k( 248) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028902 k( 249) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028902 k( 250) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028902 k( 251) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028902 k( 252) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028902 k( 253) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028902 k( 254) = ( 0.5065789 0.2500000 0.7434211), wk = 0.0028902 k( 255) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 256) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0028902 k( 257) = ( 0.5000000 0.2567568 0.7432432), wk = 0.0028902 k( 258) = ( 0.5000000 0.2635135 0.7364865), wk = 0.0028902 k( 259) = ( 0.5000000 0.2702703 0.7297297), wk = 0.0028902 k( 260) = ( 0.5000000 0.2770270 0.7229730), wk = 0.0028902 k( 261) = ( 0.5000000 0.2837838 0.7162162), wk = 0.0028902 k( 262) = ( 0.5000000 0.2905405 0.7094595), wk = 0.0028902 k( 263) = ( 0.5000000 0.2972973 0.7027027), wk = 0.0028902 k( 264) = ( 0.5000000 0.3040541 0.6959460), wk = 0.0028902 k( 265) = ( 0.5000000 0.3108108 0.6891892), wk = 0.0028902 k( 266) = ( 0.5000000 0.3175676 0.6824324), wk = 0.0028902 k( 267) = ( 0.5000000 0.3243243 0.6756757), wk = 0.0028902 k( 268) = ( 0.5000000 0.3310811 0.6689189), wk = 0.0028902 k( 269) = ( 0.5000000 0.3378378 0.6621622), wk = 0.0028902 k( 270) = ( 0.5000000 0.3445946 0.6554054), wk = 0.0028902 k( 271) = ( 0.5000000 0.3513514 0.6486487), wk = 0.0028902 k( 272) = ( 0.5000000 0.3581081 0.6418919), wk = 0.0028902 k( 273) = ( 0.5000000 0.3648649 0.6351351), wk = 0.0028902 k( 274) = ( 0.5000000 0.3716216 0.6283784), wk = 0.0028902 k( 275) = ( 0.5000000 0.3783784 0.6216216), wk = 0.0028902 k( 276) = ( 0.5000000 0.3851351 0.6148649), wk = 0.0028902 k( 277) = ( 0.5000000 0.3918919 0.6081081), wk = 0.0028902 k( 278) = ( 0.5000000 0.3986486 0.6013514), wk = 0.0028902 k( 279) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028902 k( 280) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028902 k( 281) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028902 k( 282) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028902 k( 283) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028902 k( 284) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028902 k( 285) = ( 0.5000000 0.4459459 0.5540541), wk = 0.0028902 k( 286) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028902 k( 287) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028902 k( 288) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028902 k( 289) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028902 k( 290) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028902 k( 291) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028902 k( 292) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028902 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 295) = ( 0.4960938 0.4960938 0.5078125), wk = 0.0028902 k( 296) = ( 0.4921875 0.4921875 0.5156250), wk = 0.0028902 k( 297) = ( 0.4882812 0.4882812 0.5234375), wk = 0.0028902 k( 298) = ( 0.4843750 0.4843750 0.5312500), wk = 0.0028902 k( 299) = ( 0.4804688 0.4804688 0.5390625), wk = 0.0028902 k( 300) = ( 0.4765625 0.4765625 0.5468750), wk = 0.0028902 k( 301) = ( 0.4726562 0.4726562 0.5546875), wk = 0.0028902 k( 302) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0028902 k( 303) = ( 0.4648438 0.4648438 0.5703125), wk = 0.0028902 k( 304) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028902 k( 305) = ( 0.4570312 0.4570313 0.5859375), wk = 0.0028902 k( 306) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028902 k( 307) = ( 0.4492188 0.4492188 0.6015625), wk = 0.0028902 k( 308) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028902 k( 309) = ( 0.4414062 0.4414063 0.6171875), wk = 0.0028902 k( 310) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028902 k( 311) = ( 0.4335938 0.4335938 0.6328125), wk = 0.0028902 k( 312) = ( 0.4296875 0.4296875 0.6406250), wk = 0.0028902 k( 313) = ( 0.4257812 0.4257812 0.6484375), wk = 0.0028902 k( 314) = ( 0.4218750 0.4218750 0.6562500), wk = 0.0028902 k( 315) = ( 0.4179688 0.4179688 0.6640625), wk = 0.0028902 k( 316) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028902 k( 317) = ( 0.4101562 0.4101563 0.6796875), wk = 0.0028902 k( 318) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028902 k( 319) = ( 0.4023438 0.4023438 0.6953125), wk = 0.0028902 k( 320) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028902 k( 321) = ( 0.3945312 0.3945313 0.7109375), wk = 0.0028902 k( 322) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028902 k( 323) = ( 0.3867188 0.3867188 0.7265625), wk = 0.0028902 k( 324) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028902 k( 325) = ( 0.3789062 0.3789063 0.7421875), wk = 0.0028902 k( 326) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0028902 k( 327) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 328) = ( 0.6184211 0.2368421 0.6184211), wk = 0.0028902 k( 329) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028902 k( 330) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028902 k( 331) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028902 k( 332) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028902 k( 333) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028902 k( 334) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028902 k( 335) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028902 k( 336) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028902 k( 337) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028902 k( 338) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028902 k( 339) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028902 k( 340) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028902 k( 341) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028902 k( 342) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028902 k( 343) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028902 k( 344) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028902 k( 345) = ( 0.5065789 0.0131579 0.5065790), wk = 0.0028902 k( 346) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 Dense grid: 37509 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 254, 42) NL pseudopotentials 0.20 Mb ( 127, 102) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1042) G-vector shells 0.00 Mb ( 309) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 254, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 102, 2, 42) The potential is recalculated from file : ./TaSbRu.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 5.9 secs Computing kpt #: 9 total cpu time spent up to now is 6.2 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 7.0 secs Computing kpt #: 12 total cpu time spent up to now is 7.4 secs Computing kpt #: 13 total cpu time spent up to now is 7.9 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 secs Computing kpt #: 15 total cpu time spent up to now is 8.7 secs Computing kpt #: 16 total cpu time spent up to now is 9.1 secs Computing kpt #: 17 total cpu time spent up to now is 9.5 secs Computing kpt #: 18 total cpu time spent up to now is 9.9 secs Computing kpt #: 19 total cpu time spent up to now is 10.3 secs Computing kpt #: 20 total cpu time spent up to now is 10.7 secs Computing kpt #: 21 total cpu time spent up to now is 11.1 secs Computing kpt #: 22 total cpu time spent up to now is 11.5 secs Computing kpt #: 23 total cpu time spent up to now is 11.9 secs Computing kpt #: 24 total cpu time spent up to now is 12.3 secs Computing kpt #: 25 total cpu time spent up to now is 12.7 secs Computing kpt #: 26 total cpu time spent up to now is 13.2 secs Computing kpt #: 27 total cpu time spent up to now is 13.6 secs Computing kpt #: 28 total cpu time spent up to now is 14.0 secs Computing kpt #: 29 total cpu time spent up to now is 14.4 secs Computing kpt #: 30 total cpu time spent up to now is 14.9 secs Computing kpt #: 31 total cpu time spent up to now is 15.3 secs Computing kpt #: 32 total cpu time spent up to now is 15.8 secs Computing kpt #: 33 total cpu time spent up to now is 16.2 secs Computing kpt #: 34 total cpu time spent up to now is 16.7 secs Computing kpt #: 35 total cpu time spent up to now is 17.1 secs Computing kpt #: 36 total cpu time spent up to now is 17.5 secs Computing kpt #: 37 total cpu time spent up to now is 18.0 secs Computing kpt #: 38 total cpu time spent up to now is 18.4 secs Computing kpt #: 39 total cpu time spent up to now is 18.9 secs Computing kpt #: 40 total cpu time spent up to now is 19.3 secs Computing kpt #: 41 total cpu time spent up to now is 19.8 secs Computing kpt #: 42 total cpu time spent up to now is 20.3 secs Computing kpt #: 43 total cpu time spent up to now is 20.7 secs Computing kpt #: 44 total cpu time spent up to now is 21.1 secs Computing kpt #: 45 total cpu time spent up to now is 21.6 secs Computing kpt #: 46 total cpu time spent up to now is 22.1 secs Computing kpt #: 47 total cpu time spent up to now is 22.5 secs Computing kpt #: 48 total cpu time spent up to now is 22.9 secs Computing kpt #: 49 total cpu time spent up to now is 23.3 secs Computing kpt #: 50 total cpu time spent up to now is 23.8 secs Computing kpt #: 51 total cpu time spent up to now is 24.2 secs Computing kpt #: 52 total cpu time spent up to now is 24.6 secs Computing kpt #: 53 total cpu time spent up to now is 25.0 secs Computing kpt #: 54 total cpu time spent up to now is 25.5 secs Computing kpt #: 55 total cpu time spent up to now is 25.9 secs Computing kpt #: 56 total cpu time spent up to now is 26.3 secs Computing kpt #: 57 total cpu time spent up to now is 26.7 secs Computing kpt #: 58 total cpu time spent up to now is 27.2 secs Computing kpt #: 59 total cpu time spent up to now is 27.7 secs Computing kpt #: 60 total cpu time spent up to now is 28.1 secs Computing kpt #: 61 total cpu time spent up to now is 28.5 secs Computing kpt #: 62 total cpu time spent up to now is 29.0 secs Computing kpt #: 63 total cpu time spent up to now is 29.4 secs Computing kpt #: 64 total cpu time spent up to now is 29.9 secs Computing kpt #: 65 total cpu time spent up to now is 30.4 secs Computing kpt #: 66 total cpu time spent up to now is 30.9 secs Computing kpt #: 67 total cpu time spent up to now is 31.3 secs Computing kpt #: 68 total cpu time spent up to now is 31.7 secs Computing kpt #: 69 total cpu time spent up to now is 32.2 secs Computing kpt #: 70 total cpu time spent up to now is 32.6 secs Computing kpt #: 71 total cpu time spent up to now is 33.1 secs Computing kpt #: 72 total cpu time spent up to now is 33.5 secs Computing kpt #: 73 total cpu time spent up to now is 33.9 secs Computing kpt #: 74 total cpu time spent up to now is 34.6 secs Computing kpt #: 75 total cpu time spent up to now is 35.0 secs Computing kpt #: 76 total cpu time spent up to now is 35.5 secs Computing kpt #: 77 total cpu time spent up to now is 35.9 secs Computing kpt #: 78 total cpu time spent up to now is 36.3 secs Computing kpt #: 79 total cpu time spent up to now is 36.8 secs Computing kpt #: 80 total cpu time spent up to now is 37.3 secs Computing kpt #: 81 total cpu time spent up to now is 37.7 secs Computing kpt #: 82 total cpu time spent up to now is 38.1 secs Computing kpt #: 83 total cpu time spent up to now is 38.6 secs Computing kpt #: 84 total cpu time spent up to now is 39.0 secs Computing kpt #: 85 total cpu time spent up to now is 39.5 secs Computing kpt #: 86 total cpu time spent up to now is 39.9 secs Computing kpt #: 87 total cpu time spent up to now is 40.4 secs Computing kpt #: 88 total cpu time spent up to now is 40.9 secs Computing kpt #: 89 total cpu time spent up to now is 41.3 secs Computing kpt #: 90 total cpu time spent up to now is 41.8 secs Computing kpt #: 91 total cpu time spent up to now is 42.3 secs Computing kpt #: 92 total cpu time spent up to now is 42.8 secs Computing kpt #: 93 total cpu time spent up to now is 43.3 secs Computing kpt #: 94 total cpu time spent up to now is 43.7 secs Computing kpt #: 95 total cpu time spent up to now is 44.2 secs Computing kpt #: 96 total cpu time spent up to now is 44.7 secs Computing kpt #: 97 total cpu time spent up to now is 45.2 secs Computing kpt #: 98 total cpu time spent up to now is 45.7 secs Computing kpt #: 99 total cpu time spent up to now is 46.1 secs Computing kpt #: 100 total cpu time spent up to now is 46.7 secs Computing kpt #: 101 total cpu time spent up to now is 47.1 secs Computing kpt #: 102 total cpu time spent up to now is 47.5 secs Computing kpt #: 103 total cpu time spent up to now is 48.1 secs Computing kpt #: 104 total cpu time spent up to now is 48.5 secs Computing kpt #: 105 total cpu time spent up to now is 49.0 secs Computing kpt #: 106 total cpu time spent up to now is 49.5 secs Computing kpt #: 107 total cpu time spent up to now is 50.0 secs Computing kpt #: 108 total cpu time spent up to now is 50.4 secs Computing kpt #: 109 total cpu time spent up to now is 50.9 secs Computing kpt #: 110 total cpu time spent up to now is 51.3 secs Computing kpt #: 111 total cpu time spent up to now is 51.7 secs Computing kpt #: 112 total cpu time spent up to now is 52.2 secs Computing kpt #: 113 total cpu time spent up to now is 52.6 secs Computing kpt #: 114 total cpu time spent up to now is 53.1 secs Computing kpt #: 115 total cpu time spent up to now is 53.5 secs Computing kpt #: 116 total cpu time spent up to now is 53.9 secs Computing kpt #: 117 total cpu time spent up to now is 54.3 secs Computing kpt #: 118 total cpu time spent up to now is 54.6 secs Computing kpt #: 119 total cpu time spent up to now is 55.0 secs Computing kpt #: 120 total cpu time spent up to now is 55.4 secs Computing kpt #: 121 total cpu time spent up to now is 55.8 secs Computing kpt #: 122 total cpu time spent up to now is 56.2 secs Computing kpt #: 123 total cpu time spent up to now is 56.6 secs Computing kpt #: 124 total cpu time spent up to now is 57.0 secs Computing kpt #: 125 total cpu time spent up to now is 57.4 secs Computing kpt #: 126 total cpu time spent up to now is 57.8 secs Computing kpt #: 127 total cpu time spent up to now is 58.2 secs Computing kpt #: 128 total cpu time spent up to now is 58.6 secs Computing kpt #: 129 total cpu time spent up to now is 59.0 secs Computing kpt #: 130 total cpu time spent up to now is 59.4 secs Computing kpt #: 131 total cpu time spent up to now is 59.8 secs Computing kpt #: 132 total cpu time spent up to now is 60.2 secs Computing kpt #: 133 total cpu time spent up to now is 60.6 secs Computing kpt #: 134 total cpu time spent up to now is 61.1 secs Computing kpt #: 135 total cpu time spent up to now is 61.5 secs Computing kpt #: 136 total cpu time spent up to now is 61.9 secs Computing kpt #: 137 total cpu time spent up to now is 62.3 secs Computing kpt #: 138 total cpu time spent up to now is 62.7 secs Computing kpt #: 139 total cpu time spent up to now is 63.1 secs Computing kpt #: 140 total cpu time spent up to now is 63.5 secs Computing kpt #: 141 total cpu time spent up to now is 63.9 secs Computing kpt #: 142 total cpu time spent up to now is 64.3 secs Computing kpt #: 143 total cpu time spent up to now is 64.7 secs Computing kpt #: 144 total cpu time spent up to now is 65.1 secs Computing kpt #: 145 total cpu time spent up to now is 65.5 secs Computing kpt #: 146 total cpu time spent up to now is 65.9 secs Computing kpt #: 147 total cpu time spent up to now is 66.3 secs Computing kpt #: 148 total cpu time spent up to now is 66.7 secs Computing kpt #: 149 total cpu time spent up to now is 67.2 secs Computing kpt #: 150 total cpu time spent up to now is 67.6 secs Computing kpt #: 151 total cpu time spent up to now is 68.0 secs Computing kpt #: 152 total cpu time spent up to now is 68.5 secs Computing kpt #: 153 total cpu time spent up to now is 68.9 secs Computing kpt #: 154 total cpu time spent up to now is 69.3 secs Computing kpt #: 155 total cpu time spent up to now is 69.7 secs Computing kpt #: 156 total cpu time spent up to now is 70.1 secs Computing kpt #: 157 total cpu time spent up to now is 70.5 secs Computing kpt #: 158 total cpu time spent up to now is 70.9 secs Computing kpt #: 159 total cpu time spent up to now is 71.3 secs Computing kpt #: 160 total cpu time spent up to now is 71.8 secs Computing kpt #: 161 total cpu time spent up to now is 72.3 secs Computing kpt #: 162 total cpu time spent up to now is 72.7 secs Computing kpt #: 163 total cpu time spent up to now is 73.1 secs Computing kpt #: 164 total cpu time spent up to now is 73.5 secs Computing kpt #: 165 total cpu time spent up to now is 73.9 secs Computing kpt #: 166 total cpu time spent up to now is 74.3 secs Computing kpt #: 167 total cpu time spent up to now is 74.7 secs Computing kpt #: 168 total cpu time spent up to now is 75.1 secs Computing kpt #: 169 total cpu time spent up to now is 75.5 secs Computing kpt #: 170 total cpu time spent up to now is 75.9 secs Computing kpt #: 171 total cpu time spent up to now is 76.3 secs Computing kpt #: 172 total cpu time spent up to now is 76.7 secs Computing kpt #: 173 total cpu time spent up to now is 77.1 secs Computing kpt #: 174 total cpu time spent up to now is 77.6 secs Computing kpt #: 175 total cpu time spent up to now is 78.0 secs Computing kpt #: 176 total cpu time spent up to now is 78.5 secs Computing kpt #: 177 total cpu time spent up to now is 78.9 secs Computing kpt #: 178 total cpu time spent up to now is 79.3 secs Computing kpt #: 179 total cpu time spent up to now is 79.7 secs Computing kpt #: 180 total cpu time spent up to now is 80.2 secs Computing kpt #: 181 total cpu time spent up to now is 80.7 secs Computing kpt #: 182 total cpu time spent up to now is 81.1 secs Computing kpt #: 183 total cpu time spent up to now is 81.6 secs Computing kpt #: 184 total cpu time spent up to now is 82.1 secs Computing kpt #: 185 total cpu time spent up to now is 82.5 secs Computing kpt #: 186 total cpu time spent up to now is 82.9 secs Computing kpt #: 187 total cpu time spent up to now is 83.3 secs Computing kpt #: 188 total cpu time spent up to now is 83.8 secs Computing kpt #: 189 total cpu time spent up to now is 84.2 secs Computing kpt #: 190 total cpu time spent up to now is 84.6 secs Computing kpt #: 191 total cpu time spent up to now is 85.1 secs Computing kpt #: 192 total cpu time spent up to now is 85.5 secs Computing kpt #: 193 total cpu time spent up to now is 85.9 secs Computing kpt #: 194 total cpu time spent up to now is 86.3 secs Computing kpt #: 195 total cpu time spent up to now is 86.7 secs Computing kpt #: 196 total cpu time spent up to now is 87.1 secs Computing kpt #: 197 total cpu time spent up to now is 87.6 secs Computing kpt #: 198 total cpu time spent up to now is 88.0 secs Computing kpt #: 199 total cpu time spent up to now is 88.5 secs Computing kpt #: 200 total cpu time spent up to now is 88.9 secs Computing kpt #: 201 total cpu time spent up to now is 89.3 secs Computing kpt #: 202 total cpu time spent up to now is 89.7 secs Computing kpt #: 203 total cpu time spent up to now is 90.1 secs Computing kpt #: 204 total cpu time spent up to now is 90.5 secs Computing kpt #: 205 total cpu time spent up to now is 90.9 secs Computing kpt #: 206 total cpu time spent up to now is 91.4 secs Computing kpt #: 207 total cpu time spent up to now is 91.8 secs Computing kpt #: 208 total cpu time spent up to now is 92.3 secs Computing kpt #: 209 total cpu time spent up to now is 92.7 secs Computing kpt #: 210 total cpu time spent up to now is 93.1 secs Computing kpt #: 211 total cpu time spent up to now is 93.5 secs Computing kpt #: 212 total cpu time spent up to now is 94.0 secs Computing kpt #: 213 total cpu time spent up to now is 94.4 secs Computing kpt #: 214 total cpu time spent up to now is 94.9 secs Computing kpt #: 215 total cpu time spent up to now is 95.3 secs Computing kpt #: 216 total cpu time spent up to now is 95.7 secs Computing kpt #: 217 total cpu time spent up to now is 96.2 secs Computing kpt #: 218 total cpu time spent up to now is 96.6 secs Computing kpt #: 219 total cpu time spent up to now is 97.1 secs Computing kpt #: 220 total cpu time spent up to now is 97.5 secs Computing kpt #: 221 total cpu time spent up to now is 97.9 secs Computing kpt #: 222 total cpu time spent up to now is 98.4 secs Computing kpt #: 223 total cpu time spent up to now is 98.8 secs Computing kpt #: 224 total cpu time spent up to now is 99.3 secs Computing kpt #: 225 total cpu time spent up to now is 99.7 secs Computing kpt #: 226 total cpu time spent up to now is 100.2 secs Computing kpt #: 227 total cpu time spent up to now is 100.6 secs Computing kpt #: 228 total cpu time spent up to now is 101.1 secs Computing kpt #: 229 total cpu time spent up to now is 101.6 secs Computing kpt #: 230 total cpu time spent up to now is 102.1 secs Computing kpt #: 231 total cpu time spent up to now is 102.5 secs Computing kpt #: 232 total cpu time spent up to now is 103.0 secs Computing kpt #: 233 total cpu time spent up to now is 103.5 secs Computing kpt #: 234 total cpu time spent up to now is 104.0 secs Computing kpt #: 235 total cpu time spent up to now is 104.4 secs Computing kpt #: 236 total cpu time spent up to now is 104.9 secs Computing kpt #: 237 total cpu time spent up to now is 105.3 secs Computing kpt #: 238 total cpu time spent up to now is 105.8 secs Computing kpt #: 239 total cpu time spent up to now is 106.3 secs Computing kpt #: 240 total cpu time spent up to now is 106.8 secs Computing kpt #: 241 total cpu time spent up to now is 107.3 secs Computing kpt #: 242 total cpu time spent up to now is 107.7 secs Computing kpt #: 243 total cpu time spent up to now is 108.2 secs Computing kpt #: 244 total cpu time spent up to now is 108.7 secs Computing kpt #: 245 total cpu time spent up to now is 109.1 secs Computing kpt #: 246 total cpu time spent up to now is 109.6 secs Computing kpt #: 247 total cpu time spent up to now is 110.1 secs Computing kpt #: 248 total cpu time spent up to now is 110.5 secs Computing kpt #: 249 total cpu time spent up to now is 111.0 secs Computing kpt #: 250 total cpu time spent up to now is 111.4 secs Computing kpt #: 251 total cpu time spent up to now is 111.9 secs Computing kpt #: 252 total cpu time spent up to now is 112.4 secs Computing kpt #: 253 total cpu time spent up to now is 112.9 secs Computing kpt #: 254 total cpu time spent up to now is 113.3 secs Computing kpt #: 255 total cpu time spent up to now is 113.7 secs Computing kpt #: 256 total cpu time spent up to now is 114.1 secs Computing kpt #: 257 total cpu time spent up to now is 114.6 secs Computing kpt #: 258 total cpu time spent up to now is 115.1 secs Computing kpt #: 259 total cpu time spent up to now is 115.5 secs Computing kpt #: 260 total cpu time spent up to now is 115.9 secs Computing kpt #: 261 total cpu time spent up to now is 116.4 secs Computing kpt #: 262 total cpu time spent up to now is 116.9 secs Computing kpt #: 263 total cpu time spent up to now is 117.3 secs Computing kpt #: 264 total cpu time spent up to now is 117.8 secs Computing kpt #: 265 total cpu time spent up to now is 118.3 secs Computing kpt #: 266 total cpu time spent up to now is 118.7 secs Computing kpt #: 267 total cpu time spent up to now is 119.2 secs Computing kpt #: 268 total cpu time spent up to now is 119.7 secs Computing kpt #: 269 total cpu time spent up to now is 120.2 secs Computing kpt #: 270 total cpu time spent up to now is 120.6 secs Computing kpt #: 271 total cpu time spent up to now is 121.1 secs Computing kpt #: 272 total cpu time spent up to now is 121.5 secs Computing kpt #: 273 total cpu time spent up to now is 122.0 secs Computing kpt #: 274 total cpu time spent up to now is 122.5 secs Computing kpt #: 275 total cpu time spent up to now is 122.9 secs Computing kpt #: 276 total cpu time spent up to now is 123.4 secs Computing kpt #: 277 total cpu time spent up to now is 123.8 secs Computing kpt #: 278 total cpu time spent up to now is 124.3 secs Computing kpt #: 279 total cpu time spent up to now is 124.7 secs Computing kpt #: 280 total cpu time spent up to now is 125.1 secs Computing kpt #: 281 total cpu time spent up to now is 125.6 secs Computing kpt #: 282 total cpu time spent up to now is 126.1 secs Computing kpt #: 283 total cpu time spent up to now is 126.5 secs Computing kpt #: 284 total cpu time spent up to now is 126.9 secs Computing kpt #: 285 total cpu time spent up to now is 127.4 secs Computing kpt #: 286 total cpu time spent up to now is 127.8 secs Computing kpt #: 287 total cpu time spent up to now is 128.3 secs Computing kpt #: 288 total cpu time spent up to now is 128.7 secs Computing kpt #: 289 total cpu time spent up to now is 129.2 secs Computing kpt #: 290 total cpu time spent up to now is 129.6 secs Computing kpt #: 291 total cpu time spent up to now is 130.1 secs Computing kpt #: 292 total cpu time spent up to now is 130.5 secs Computing kpt #: 293 total cpu time spent up to now is 130.9 secs Computing kpt #: 294 total cpu time spent up to now is 131.3 secs Computing kpt #: 295 total cpu time spent up to now is 131.7 secs Computing kpt #: 296 total cpu time spent up to now is 132.1 secs Computing kpt #: 297 total cpu time spent up to now is 132.5 secs Computing kpt #: 298 total cpu time spent up to now is 132.9 secs Computing kpt #: 299 total cpu time spent up to now is 133.3 secs Computing kpt #: 300 total cpu time spent up to now is 133.8 secs Computing kpt #: 301 total cpu time spent up to now is 134.2 secs Computing kpt #: 302 total cpu time spent up to now is 134.7 secs Computing kpt #: 303 total cpu time spent up to now is 135.1 secs Computing kpt #: 304 total cpu time spent up to now is 135.5 secs Computing kpt #: 305 total cpu time spent up to now is 135.9 secs Computing kpt #: 306 total cpu time spent up to now is 136.3 secs Computing kpt #: 307 total cpu time spent up to now is 136.7 secs Computing kpt #: 308 total cpu time spent up to now is 137.2 secs Computing kpt #: 309 total cpu time spent up to now is 137.6 secs Computing kpt #: 310 total cpu time spent up to now is 138.0 secs Computing kpt #: 311 total cpu time spent up to now is 138.5 secs Computing kpt #: 312 total cpu time spent up to now is 138.9 secs Computing kpt #: 313 total cpu time spent up to now is 139.3 secs Computing kpt #: 314 total cpu time spent up to now is 139.8 secs Computing kpt #: 315 total cpu time spent up to now is 140.3 secs Computing kpt #: 316 total cpu time spent up to now is 140.7 secs Computing kpt #: 317 total cpu time spent up to now is 141.2 secs Computing kpt #: 318 total cpu time spent up to now is 141.7 secs Computing kpt #: 319 total cpu time spent up to now is 142.1 secs Computing kpt #: 320 total cpu time spent up to now is 142.6 secs Computing kpt #: 321 total cpu time spent up to now is 143.0 secs Computing kpt #: 322 total cpu time spent up to now is 143.5 secs Computing kpt #: 323 total cpu time spent up to now is 143.9 secs Computing kpt #: 324 total cpu time spent up to now is 144.4 secs Computing kpt #: 325 total cpu time spent up to now is 144.9 secs Computing kpt #: 326 total cpu time spent up to now is 145.3 secs Computing kpt #: 327 total cpu time spent up to now is 145.8 secs Computing kpt #: 328 total cpu time spent up to now is 146.3 secs Computing kpt #: 329 total cpu time spent up to now is 146.8 secs Computing kpt #: 330 total cpu time spent up to now is 147.2 secs Computing kpt #: 331 total cpu time spent up to now is 147.7 secs Computing kpt #: 332 total cpu time spent up to now is 148.1 secs Computing kpt #: 333 total cpu time spent up to now is 148.6 secs Computing kpt #: 334 total cpu time spent up to now is 149.1 secs Computing kpt #: 335 total cpu time spent up to now is 149.5 secs Computing kpt #: 336 total cpu time spent up to now is 149.9 secs Computing kpt #: 337 total cpu time spent up to now is 150.4 secs Computing kpt #: 338 total cpu time spent up to now is 150.8 secs Computing kpt #: 339 total cpu time spent up to now is 151.3 secs Computing kpt #: 340 total cpu time spent up to now is 151.7 secs Computing kpt #: 341 total cpu time spent up to now is 152.1 secs Computing kpt #: 342 total cpu time spent up to now is 152.6 secs Computing kpt #: 343 total cpu time spent up to now is 153.0 secs Computing kpt #: 344 total cpu time spent up to now is 153.4 secs Computing kpt #: 345 total cpu time spent up to now is 153.8 secs Computing kpt #: 346 total cpu time spent up to now is 154.3 secs ethr = 2.94E-08, avg # of iterations = 15.8 total cpu time spent up to now is 154.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -55.8959 -55.8959 -52.8312 -52.8312 -28.5472 -28.5472 -25.7083 -25.7083 -25.3832 -25.3832 -25.3832 -25.3832 -17.0119 -17.0119 -17.0119 -17.0119 3.6889 3.6889 11.0063 11.0063 11.3967 11.3967 11.3967 11.3967 12.0982 12.0982 12.0982 12.0982 14.6290 14.6290 14.6290 14.6290 14.6718 14.6718 16.9858 16.9858 17.7680 17.7680 17.7680 17.7680 18.2189 18.2189 k = 0.0096-0.0056 0.0079 ( 4685 PWs) bands (ev): -55.8959 -55.8959 -52.8312 -52.8312 -28.5471 -28.5471 -25.7085 -25.7085 -25.3832 -25.3832 -25.3830 -25.3830 -17.0119 -17.0119 -17.0119 -17.0119 3.6904 3.6904 11.0046 11.0046 11.3897 11.3897 11.3986 11.3986 12.0955 12.0955 12.1067 12.1067 14.6223 14.6223 14.6302 14.6302 14.6695 14.6695 16.9874 16.9874 17.7660 17.7660 17.7666 17.7666 18.2250 18.2250 k = 0.0192-0.0111 0.0157 ( 4677 PWs) bands (ev): -55.8959 -55.8959 -52.8312 -52.8312 -28.5471 -28.5471 -25.7091 -25.7091 -25.3832 -25.3832 -25.3825 -25.3825 -17.0119 -17.0119 -17.0119 -17.0119 3.6947 3.6947 10.9992 10.9992 11.3733 11.3733 11.4006 11.4006 12.0966 12.0966 12.1226 12.1226 14.6100 14.6100 14.6256 14.6256 14.6629 14.6629 16.9920 16.9920 17.7603 17.7603 17.7623 17.7623 18.2426 18.2426 k = 0.0288-0.0167 0.0236 ( 4673 PWs) bands (ev): -55.8959 -55.8959 -52.8312 -52.8312 -28.5471 -28.5471 -25.7100 -25.7100 -25.3832 -25.3832 -25.3816 -25.3816 -17.0120 -17.0120 -17.0119 -17.0119 3.7019 3.7019 10.9890 10.9890 11.3492 11.3492 11.4038 11.4038 12.1002 12.1002 12.1454 12.1454 14.5921 14.5921 14.6153 14.6153 14.6528 14.6528 16.9994 16.9994 17.7518 17.7518 17.7552 17.7552 18.2703 18.2703 k = 0.0385-0.0222 0.0314 ( 4673 PWs) bands (ev): -55.8958 -55.8958 -52.8312 -52.8312 -28.5470 -28.5470 -25.7113 -25.7113 -25.3832 -25.3832 -25.3804 -25.3804 -17.0121 -17.0121 -17.0118 -17.0118 3.7120 3.7120 10.9724 10.9724 11.3214 11.3214 11.4083 11.4083 12.1057 12.1057 12.1733 12.1733 14.5682 14.5682 14.5995 14.5995 14.6399 14.6399 17.0090 17.0090 17.7411 17.7411 17.7456 17.7456 18.3061 18.3061 k = 0.0481-0.0278 0.0393 ( 4685 PWs) bands (ev): -55.8958 -55.8958 -52.8312 -52.8312 -28.5470 -28.5470 -25.7130 -25.7130 -25.3833 -25.3833 -25.3788 -25.3788 -17.0122 -17.0122 -17.0118 -17.0118 3.7250 3.7250 10.9473 10.9473 11.2941 11.2941 11.4139 11.4139 12.1131 12.1131 12.2045 12.2045 14.5386 14.5386 14.5791 14.5791 14.6244 14.6244 17.0204 17.0204 17.7285 17.7285 17.7342 17.7342 18.3481 18.3481 k = 0.0577-0.0333 0.0471 ( 4701 PWs) bands (ev): -55.8958 -55.8958 -52.8313 -52.8313 -28.5470 -28.5470 -25.7150 -25.7150 -25.3834 -25.3834 -25.3770 -25.3770 -17.0124 -17.0124 -17.0118 -17.0118 3.7407 3.7407 10.9121 10.9121 11.2712 11.2712 11.4208 11.4208 12.1221 12.1221 12.2371 12.2371 14.5037 14.5037 14.5550 14.5550 14.6063 14.6063 17.0330 17.0330 17.7132 17.7132 17.7225 17.7225 18.3945 18.3945 k = 0.0673-0.0389 0.0550 ( 4709 PWs) bands (ev): -55.8958 -55.8958 -52.8313 -52.8313 -28.5470 -28.5470 -25.7173 -25.7173 -25.3835 -25.3835 -25.3748 -25.3748 -17.0125 -17.0125 -17.0117 -17.0117 3.7592 3.7592 10.8661 10.8661 11.2547 11.2547 11.4290 11.4290 12.1328 12.1328 12.2698 12.2698 14.4644 14.4644 14.5279 14.5279 14.5855 14.5855 17.0463 17.0463 17.6946 17.6946 17.7114 17.7114 18.4440 18.4440 k = 0.0769-0.0444 0.0628 ( 4717 PWs) bands (ev): -55.8957 -55.8957 -52.8314 -52.8314 -28.5470 -28.5470 -25.7199 -25.7199 -25.3836 -25.3836 -25.3724 -25.3724 -17.0127 -17.0127 -17.0117 -17.0117 3.7804 3.7804 10.8103 10.8103 11.2451 11.2451 11.4382 11.4382 12.1451 12.1451 12.3017 12.3017 14.4215 14.4215 14.4983 14.4983 14.5622 14.5622 17.0598 17.0598 17.6730 17.6730 17.7012 17.7012 18.4958 18.4958 k = 0.0865-0.0500 0.0707 ( 4713 PWs) bands (ev): -55.8957 -55.8957 -52.8314 -52.8314 -28.5469 -28.5469 -25.7227 -25.7227 -25.3836 -25.3836 -25.3697 -25.3697 -17.0129 -17.0129 -17.0116 -17.0116 3.8042 3.8042 10.7464 10.7464 11.2415 11.2415 11.4487 11.4487 12.1590 12.1590 12.3318 12.3318 14.3761 14.3761 14.4665 14.4665 14.5364 14.5364 17.0732 17.0732 17.6485 17.6485 17.6917 17.6917 18.5491 18.5491 k = 0.0962-0.0555 0.0785 ( 4721 PWs) bands (ev): -55.8956 -55.8956 -52.8315 -52.8315 -28.5469 -28.5469 -25.7259 -25.7259 -25.3837 -25.3837 -25.3668 -25.3668 -17.0132 -17.0132 -17.0116 -17.0116 3.8306 3.8306 10.6765 10.6765 11.2428 11.2428 11.4602 11.4602 12.1745 12.1745 12.3596 12.3596 14.3289 14.3289 14.4328 14.4328 14.5085 14.5085 17.0861 17.0861 17.6213 17.6213 17.6831 17.6831 18.6034 18.6034 k = 0.1058-0.0611 0.0864 ( 4717 PWs) bands (ev): -55.8956 -55.8956 -52.8315 -52.8315 -28.5468 -28.5468 -25.7292 -25.7292 -25.3838 -25.3838 -25.3637 -25.3637 -17.0134 -17.0134 -17.0115 -17.0115 3.8595 3.8595 10.6024 10.6024 11.2480 11.2480 11.4728 11.4728 12.1914 12.1914 12.3846 12.3846 14.2807 14.2807 14.3977 14.3977 14.4787 14.4787 17.0984 17.0984 17.5913 17.5913 17.6753 17.6753 18.6582 18.6582 k = 0.1154-0.0666 0.0942 ( 4725 PWs) bands (ev): -55.8955 -55.8955 -52.8316 -52.8316 -28.5467 -28.5467 -25.7328 -25.7328 -25.3839 -25.3839 -25.3604 -25.3604 -17.0137 -17.0137 -17.0114 -17.0114 3.8907 3.8907 10.5255 10.5255 11.2563 11.2563 11.4865 11.4865 12.2099 12.2099 12.4066 12.4066 14.2323 14.2323 14.3613 14.3613 14.4474 14.4474 17.1098 17.1098 17.5587 17.5587 17.6685 17.6685 18.7126 18.7126 k = 0.1250-0.0722 0.1021 ( 4717 PWs) bands (ev): -55.8954 -55.8954 -52.8316 -52.8316 -28.5466 -28.5466 -25.7365 -25.7365 -25.3839 -25.3839 -25.3569 -25.3569 -17.0140 -17.0140 -17.0113 -17.0113 3.9243 3.9243 10.4469 10.4469 11.2671 11.2671 11.5011 11.5011 12.2296 12.2296 12.4252 12.4252 14.1841 14.1841 14.3241 14.3241 14.4148 14.4148 17.1202 17.1202 17.5236 17.5236 17.6626 17.6626 18.7661 18.7661 k = 0.1346-0.0777 0.1099 ( 4713 PWs) bands (ev): -55.8954 -55.8954 -52.8317 -52.8317 -28.5465 -28.5465 -25.7404 -25.7404 -25.3840 -25.3840 -25.3533 -25.3533 -17.0143 -17.0143 -17.0112 -17.0112 3.9600 3.9600 10.3675 10.3675 11.2801 11.2801 11.5167 11.5167 12.2506 12.2506 12.4404 12.4404 14.1366 14.1366 14.2863 14.2863 14.3813 14.3813 17.1295 17.1295 17.4860 17.4860 17.6578 17.6578 18.8177 18.8177 k = 0.1442-0.0833 0.1178 ( 4729 PWs) bands (ev): -55.8953 -55.8953 -52.8318 -52.8318 -28.5465 -28.5465 -25.7445 -25.7445 -25.3841 -25.3841 -25.3496 -25.3496 -17.0146 -17.0146 -17.0111 -17.0111 3.9979 3.9979 10.2882 10.2882 11.2947 11.2947 11.5331 11.5331 12.2727 12.2727 12.4521 12.4521 14.0903 14.0903 14.2481 14.2481 14.3471 14.3471 17.1375 17.1375 17.4460 17.4460 17.6539 17.6539 18.8663 18.8663 k = 0.1538-0.0888 0.1256 ( 4721 PWs) bands (ev): -55.8952 -55.8952 -52.8319 -52.8319 -28.5463 -28.5463 -25.7487 -25.7487 -25.3842 -25.3842 -25.3458 -25.3458 -17.0150 -17.0150 -17.0110 -17.0110 4.0376 4.0376 10.2096 10.2096 11.3109 11.3109 11.5503 11.5503 12.2955 12.2955 12.4606 12.4606 14.0455 14.0455 14.2099 14.2099 14.3125 14.3125 17.1440 17.1440 17.4037 17.4037 17.6513 17.6513 18.9109 18.9109 k = 0.1635-0.0944 0.1335 ( 4729 PWs) bands (ev): -55.8951 -55.8951 -52.8320 -52.8320 -28.5463 -28.5463 -25.7529 -25.7529 -25.3843 -25.3843 -25.3418 -25.3418 -17.0154 -17.0154 -17.0109 -17.0109 4.0791 4.0791 10.1322 10.1322 11.3285 11.3285 11.5683 11.5683 12.3183 12.3183 12.4663 12.4663 14.0022 14.0022 14.1718 14.1718 14.2778 14.2778 17.1490 17.1490 17.3593 17.3593 17.6499 17.6499 18.9503 18.9503 k = 0.1731-0.0999 0.1413 ( 4729 PWs) bands (ev): -55.8951 -55.8951 -52.8320 -52.8320 -28.5462 -28.5462 -25.7573 -25.7573 -25.3844 -25.3844 -25.3378 -25.3378 -17.0158 -17.0158 -17.0108 -17.0108 4.1222 4.1222 10.0566 10.0566 11.3472 11.3472 11.5870 11.5870 12.3403 12.3403 12.4703 12.4703 13.9608 13.9608 14.1340 14.1340 14.2433 14.2433 17.1521 17.1521 17.3129 17.3129 17.6497 17.6497 18.9833 18.9833 k = 0.1827-0.1055 0.1492 ( 4729 PWs) bands (ev): -55.8950 -55.8950 -52.8321 -52.8321 -28.5460 -28.5460 -25.7616 -25.7616 -25.3846 -25.3846 -25.3338 -25.3338 -17.0162 -17.0162 -17.0107 -17.0107 4.1667 4.1667 9.9833 9.9833 11.3669 11.3669 11.6062 11.6062 12.3590 12.3590 12.4749 12.4749 13.9210 13.9210 14.0968 14.0968 14.2093 14.2093 17.1531 17.1531 17.2648 17.2648 17.6510 17.6510 19.0088 19.0088 k = 0.1923-0.1110 0.1570 ( 4717 PWs) bands (ev): -55.8949 -55.8949 -52.8322 -52.8322 -28.5459 -28.5459 -25.7661 -25.7661 -25.3846 -25.3846 -25.3297 -25.3297 -17.0166 -17.0166 -17.0106 -17.0106 4.2125 4.2125 9.9127 9.9127 11.3875 11.3875 11.6259 11.6259 12.3713 12.3713 12.4835 12.4835 13.8829 13.8829 14.0603 14.0603 14.1759 14.1759 17.1512 17.1512 17.2158 17.2158 17.6537 17.6537 19.0256 19.0256 k = 0.2019-0.1166 0.1649 ( 4725 PWs) bands (ev): -55.8948 -55.8948 -52.8323 -52.8323 -28.5458 -28.5458 -25.7705 -25.7705 -25.3848 -25.3848 -25.3257 -25.3257 -17.0170 -17.0170 -17.0105 -17.0105 4.2594 4.2594 9.8453 9.8453 11.4089 11.4089 11.6461 11.6461 12.3739 12.3739 12.4994 12.4994 13.8463 13.8463 14.0246 14.0246 14.1434 14.1434 17.1400 17.1400 17.1723 17.1723 17.6579 17.6579 19.0331 19.0331 k = 0.2115-0.1221 0.1727 ( 4717 PWs) bands (ev): -55.8947 -55.8947 -52.8324 -52.8324 -28.5457 -28.5457 -25.7750 -25.7750 -25.3849 -25.3849 -25.3216 -25.3216 -17.0174 -17.0174 -17.0104 -17.0104 4.3071 4.3071 9.7813 9.7813 11.4309 11.4309 11.6666 11.6666 12.3670 12.3670 12.5228 12.5228 13.8108 13.8108 13.9899 13.9899 14.1120 14.1120 17.0996 17.0996 17.1543 17.1543 17.6635 17.6635 19.0307 19.0307 k = 0.2212-0.1277 0.1806 ( 4705 PWs) bands (ev): -55.8946 -55.8946 -52.8325 -52.8325 -28.5455 -28.5455 -25.7794 -25.7794 -25.3850 -25.3850 -25.3175 -25.3175 -17.0179 -17.0179 -17.0102 -17.0102 4.3554 4.3554 9.7213 9.7213 11.4534 11.4534 11.6872 11.6872 12.3528 12.3528 12.5516 12.5516 13.7763 13.7763 13.9560 13.9560 14.0820 14.0820 17.0461 17.0461 17.1458 17.1458 17.6704 17.6704 19.0182 19.0182 k = 0.2308-0.1332 0.1884 ( 4705 PWs) bands (ev): -55.8945 -55.8945 -52.8326 -52.8326 -28.5454 -28.5454 -25.7838 -25.7838 -25.3851 -25.3851 -25.3135 -25.3135 -17.0183 -17.0183 -17.0101 -17.0101 4.4041 4.4041 9.6655 9.6655 11.4764 11.4764 11.7081 11.7081 12.3335 12.3335 12.5840 12.5840 13.7422 13.7422 13.9232 13.9233 14.0535 14.0535 16.9896 16.9896 17.1370 17.1370 17.6785 17.6785 18.9961 18.9961 k = 0.2404-0.1388 0.1963 ( 4705 PWs) bands (ev): -55.8944 -55.8944 -52.8327 -52.8327 -28.5453 -28.5453 -25.7882 -25.7882 -25.3852 -25.3852 -25.3095 -25.3095 -17.0188 -17.0188 -17.0100 -17.0100 4.4529 4.4529 9.6143 9.6143 11.4995 11.4995 11.7289 11.7289 12.3105 12.3105 12.6190 12.6190 13.7080 13.7080 13.8915 13.8915 14.0268 14.0268 16.9312 16.9312 17.1267 17.1267 17.6877 17.6877 18.9648 18.9648 k = 0.2500-0.1443 0.2041 ( 4729 PWs) bands (ev): -55.8943 -55.8943 -52.8328 -52.8328 -28.5452 -28.5452 -25.7925 -25.7925 -25.3854 -25.3854 -25.3057 -25.3057 -17.0193 -17.0193 -17.0099 -17.0099 4.5017 4.5017 9.5679 9.5679 11.5229 11.5229 11.7497 11.7497 12.2846 12.2846 12.6560 12.6560 13.6734 13.6734 13.8610 13.8610 14.0019 14.0019 16.8714 16.8714 17.1148 17.1148 17.6976 17.6976 18.9254 18.9254 k = 0.2596-0.1499 0.2120 ( 4696 PWs) bands (ev): -55.8942 -55.8942 -52.8329 -52.8329 -28.5450 -28.5450 -25.7967 -25.7967 -25.3854 -25.3854 -25.3018 -25.3018 -17.0197 -17.0197 -17.0097 -17.0097 4.5501 4.5501 9.5267 9.5267 11.5462 11.5462 11.7703 11.7703 12.2567 12.2567 12.6945 12.6945 13.6377 13.6377 13.8316 13.8316 13.9791 13.9791 16.8105 16.8105 17.1013 17.1013 17.7081 17.7081 18.8790 18.8790 k = 0.2692-0.1554 0.2198 ( 4696 PWs) bands (ev): -55.8942 -55.8942 -52.8330 -52.8330 -28.5449 -28.5449 -25.8009 -25.8009 -25.3856 -25.3856 -25.2980 -25.2980 -17.0202 -17.0202 -17.0096 -17.0096 4.5979 4.5979 9.4909 9.4909 11.5693 11.5693 11.7906 11.7906 12.2273 12.2273 12.7344 12.7344 13.6003 13.6003 13.8036 13.8036 13.9585 13.9585 16.7485 16.7485 17.0865 17.0865 17.7187 17.7187 18.8269 18.8269 k = 0.2788-0.1610 0.2277 ( 4700 PWs) bands (ev): -55.8941 -55.8941 -52.8331 -52.8331 -28.5448 -28.5448 -25.8050 -25.8050 -25.3857 -25.3857 -25.2943 -25.2943 -17.0207 -17.0207 -17.0095 -17.0095 4.6448 4.6448 9.4607 9.4607 11.5921 11.5921 11.8105 11.8105 12.1969 12.1969 12.7754 12.7754 13.5606 13.5606 13.7770 13.7770 13.9403 13.9403 16.6858 16.6858 17.0705 17.0705 17.7290 17.7290 18.7705 18.7705 k = 0.2885-0.1665 0.2355 ( 4700 PWs) bands (ev): -55.8940 -55.8940 -52.8332 -52.8332 -28.5447 -28.5447 -25.8090 -25.8090 -25.3858 -25.3858 -25.2907 -25.2907 -17.0211 -17.0211 -17.0094 -17.0094 4.6906 4.6906 9.4364 9.4364 11.6145 11.6145 11.8299 11.8299 12.1659 12.1659 12.8173 12.8173 13.5180 13.5180 13.7521 13.7521 13.9245 13.9245 16.6224 16.6224 17.0536 17.0536 17.7386 17.7386 18.7113 18.7113 k = 0.2981-0.1721 0.2434 ( 4700 PWs) bands (ev): -55.8939 -55.8939 -52.8333 -52.8333 -28.5445 -28.5445 -25.8128 -25.8128 -25.3860 -25.3860 -25.2873 -25.2873 -17.0216 -17.0216 -17.0092 -17.0092 4.7351 4.7351 9.4182 9.4182 11.6362 11.6362 11.8487 11.8487 12.1349 12.1349 12.8601 12.8601 13.4720 13.4720 13.7290 13.7290 13.9111 13.9111 16.5586 16.5586 17.0359 17.0359 17.7469 17.7469 18.6506 18.6506 k = 0.3077-0.1776 0.2512 ( 4692 PWs) bands (ev): -55.8938 -55.8938 -52.8334 -52.8334 -28.5444 -28.5444 -25.8166 -25.8166 -25.3861 -25.3861 -25.2839 -25.2839 -17.0220 -17.0220 -17.0091 -17.0091 4.7780 4.7780 9.4060 9.4060 11.6572 11.6572 11.8667 11.8667 12.1042 12.1042 12.9036 12.9036 13.4221 13.4221 13.7078 13.7078 13.9003 13.9003 16.4945 16.4945 17.0178 17.0178 17.7534 17.7534 18.5897 18.5897 k = 0.3173-0.1832 0.2591 ( 4696 PWs) bands (ev): -55.8937 -55.8937 -52.8334 -52.8334 -28.5443 -28.5443 -25.8202 -25.8202 -25.3862 -25.3862 -25.2806 -25.2806 -17.0225 -17.0225 -17.0090 -17.0090 4.8191 4.8191 9.4000 9.4000 11.6772 11.6772 11.8838 11.8838 12.0744 12.0744 12.9475 12.9475 13.3681 13.3681 13.6885 13.6885 13.8921 13.8921 16.4303 16.4303 16.9995 16.9995 17.7574 17.7574 18.5298 18.5298 k = 0.3269-0.1887 0.2669 ( 4696 PWs) bands (ev): -55.8936 -55.8936 -52.8335 -52.8335 -28.5442 -28.5442 -25.8237 -25.8237 -25.3863 -25.3863 -25.2775 -25.2775 -17.0229 -17.0229 -17.0089 -17.0089 4.8583 4.8583 9.4002 9.4002 11.6962 11.6962 11.8995 11.8995 12.0461 12.0461 12.9917 12.9917 13.3098 13.3098 13.6713 13.6713 13.8863 13.8863 16.3663 16.3663 16.9813 16.9813 17.7582 17.7582 18.4720 18.4720 k = 0.3365-0.1943 0.2748 ( 4700 PWs) bands (ev): -55.8935 -55.8935 -52.8336 -52.8336 -28.5441 -28.5441 -25.8270 -25.8270 -25.3864 -25.3864 -25.2746 -25.2746 -17.0234 -17.0234 -17.0088 -17.0088 4.8953 4.8953 9.4064 9.4064 11.7140 11.7140 11.9130 11.9130 12.0203 12.0203 13.0360 13.0360 13.2472 13.2472 13.6562 13.6562 13.8829 13.8829 16.3026 16.3026 16.9635 16.9635 17.7552 17.7552 18.4173 18.4173 k = 0.3462-0.1999 0.2826 ( 4708 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5440 -28.5440 -25.8302 -25.8302 -25.3866 -25.3866 -25.2717 -25.2717 -17.0238 -17.0238 -17.0087 -17.0087 4.9300 4.9300 9.4187 9.4187 11.7303 11.7303 11.9222 11.9222 11.9995 11.9995 13.0792 13.0792 13.1813 13.1813 13.6429 13.6429 13.8818 13.8818 16.2397 16.2397 16.9463 16.9463 17.7477 17.7477 18.3663 18.3663 k = 0.3558-0.2054 0.2905 ( 4700 PWs) bands (ev): -55.8934 -55.8934 -52.8338 -52.8338 -28.5439 -28.5439 -25.8332 -25.8332 -25.3866 -25.3866 -25.2690 -25.2690 -17.0242 -17.0242 -17.0086 -17.0086 4.9625 4.9625 9.4367 9.4367 11.7451 11.7451 11.9228 11.9228 11.9882 11.9882 13.0977 13.0977 13.1359 13.1359 13.6316 13.6316 13.8828 13.8828 16.1776 16.1776 16.9300 16.9300 17.7356 17.7356 18.3192 18.3192 k = 0.3654-0.2110 0.2983 ( 4692 PWs) bands (ev): -55.8933 -55.8933 -52.8338 -52.8338 -28.5438 -28.5438 -25.8361 -25.8361 -25.3867 -25.3867 -25.2665 -25.2665 -17.0246 -17.0246 -17.0085 -17.0085 4.9925 4.9925 9.4601 9.4601 11.7582 11.7582 11.9128 11.9128 11.9889 11.9889 13.0300 13.0300 13.1725 13.1725 13.6221 13.6221 13.8858 13.8858 16.1166 16.1166 16.9148 16.9148 17.7187 17.7187 18.2757 18.2757 k = 0.3750-0.2165 0.3062 ( 4696 PWs) bands (ev): -55.8932 -55.8932 -52.8339 -52.8339 -28.5437 -28.5437 -25.8387 -25.8387 -25.3868 -25.3868 -25.2641 -25.2641 -17.0249 -17.0249 -17.0084 -17.0084 5.0200 5.0200 9.4885 9.4885 11.7693 11.7693 11.8976 11.8976 11.9964 11.9964 12.9524 12.9524 13.2150 13.2150 13.6143 13.6143 13.8906 13.8906 16.0572 16.0572 16.9007 16.9007 17.6973 17.6973 18.2343 18.2343 k = 0.3846-0.2221 0.3140 ( 4704 PWs) bands (ev): -55.8932 -55.8932 -52.8340 -52.8340 -28.5436 -28.5436 -25.8413 -25.8413 -25.3869 -25.3869 -25.2619 -25.2619 -17.0253 -17.0253 -17.0083 -17.0083 5.0451 5.0451 9.5214 9.5214 11.7781 11.7781 11.8822 11.8822 12.0062 12.0062 12.8716 12.8716 13.2572 13.2572 13.6081 13.6081 13.8968 13.8968 15.9996 15.9996 16.8880 16.8880 17.6723 17.6723 18.1916 18.1916 k = 0.3942-0.2276 0.3219 ( 4704 PWs) bands (ev): -55.8931 -55.8931 -52.8340 -52.8340 -28.5435 -28.5435 -25.8436 -25.8436 -25.3870 -25.3870 -25.2598 -25.2598 -17.0256 -17.0256 -17.0082 -17.0082 5.0678 5.0678 9.5581 9.5581 11.7841 11.7841 11.8694 11.8694 12.0164 12.0164 12.7887 12.7887 13.2983 13.2983 13.6033 13.6033 13.9043 13.9043 15.9441 15.9441 16.8767 16.8767 17.6447 17.6447 18.1433 18.1433 k = 0.4038-0.2332 0.3297 ( 4712 PWs) bands (ev): -55.8931 -55.8931 -52.8341 -52.8341 -28.5435 -28.5435 -25.8457 -25.8457 -25.3871 -25.3871 -25.2579 -25.2579 -17.0259 -17.0259 -17.0081 -17.0081 5.0881 5.0881 9.5979 9.5979 11.7869 11.7869 11.8603 11.8603 12.0263 12.0263 12.7048 12.7048 13.3379 13.3379 13.5998 13.5998 13.9126 13.9126 15.8912 15.8912 16.8668 16.8668 17.6155 17.6155 18.0897 18.0897 k = 0.4135-0.2387 0.3376 ( 4712 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8342 -28.5434 -28.5434 -25.8477 -25.8477 -25.3872 -25.3872 -25.2562 -25.2562 -17.0262 -17.0262 -17.0081 -17.0081 5.1061 5.1061 9.6399 9.6399 11.7867 11.7867 11.8553 11.8553 12.0356 12.0356 12.6206 12.6206 13.3756 13.3756 13.5973 13.5973 13.9216 13.9216 15.8413 15.8413 16.8582 16.8582 17.5859 17.5859 18.0352 18.0352 k = 0.4231-0.2443 0.3454 ( 4704 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8342 -28.5433 -28.5433 -25.8494 -25.8494 -25.3872 -25.3872 -25.2547 -25.2547 -17.0265 -17.0265 -17.0080 -17.0080 5.1219 5.1219 9.6830 9.6830 11.7847 11.7847 11.8536 11.8536 12.0442 12.0442 12.5376 12.5376 13.4110 13.4110 13.5957 13.5957 13.9309 13.9309 15.7947 15.7947 16.8510 16.8510 17.5569 17.5569 17.9832 17.9832 k = 0.4327-0.2498 0.3533 ( 4712 PWs) bands (ev): -55.8929 -55.8929 -52.8342 -52.8342 -28.5433 -28.5433 -25.8510 -25.8510 -25.3873 -25.3873 -25.2533 -25.2533 -17.0267 -17.0267 -17.0080 -17.0080 5.1355 5.1355 9.7260 9.7260 11.7828 11.7828 11.8539 11.8539 12.0519 12.0519 12.4567 12.4567 13.4437 13.4437 13.5949 13.5949 13.9401 13.9401 15.7521 15.7521 16.8450 16.8450 17.5295 17.5295 17.9351 17.9351 k = 0.4423-0.2554 0.3611 ( 4740 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5433 -28.5433 -25.8524 -25.8524 -25.3874 -25.3874 -25.2521 -25.2521 -17.0269 -17.0269 -17.0079 -17.0079 5.1470 5.1470 9.7676 9.7676 11.7823 11.7823 11.8549 11.8549 12.0586 12.0586 12.3796 12.3796 13.4733 13.4733 13.5945 13.5945 13.9489 13.9489 15.7138 15.7138 16.8402 16.8402 17.5044 17.5044 17.8920 17.8920 k = 0.4519-0.2609 0.3690 ( 4740 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5433 -28.5433 -25.8535 -25.8535 -25.3875 -25.3875 -25.2511 -25.2511 -17.0271 -17.0271 -17.0079 -17.0079 5.1566 5.1566 9.8065 9.8065 11.7843 11.7843 11.8557 11.8557 12.0644 12.0644 12.3077 12.3077 13.4994 13.4994 13.5943 13.5943 13.9571 13.9571 15.6803 15.6803 16.8364 16.8364 17.4822 17.4822 17.8545 17.8545 k = 0.4615-0.2665 0.3768 ( 4748 PWs) bands (ev): -55.8928 -55.8928 -52.8343 -52.8343 -28.5433 -28.5433 -25.8545 -25.8545 -25.3875 -25.3875 -25.2503 -25.2503 -17.0272 -17.0272 -17.0078 -17.0078 5.1643 5.1643 9.8410 9.8410 11.7892 11.7892 11.8559 11.8559 12.0693 12.0693 12.2428 12.2428 13.5216 13.5216 13.5942 13.5942 13.9643 13.9643 15.6521 15.6521 16.8334 16.8334 17.4634 17.4634 17.8231 17.8231 k = 0.4712-0.2720 0.3847 ( 4732 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5432 -28.5432 -25.8552 -25.8552 -25.3875 -25.3875 -25.2496 -25.2496 -17.0273 -17.0273 -17.0078 -17.0078 5.1703 5.1703 9.8698 9.8698 11.7969 11.7969 11.8550 11.8550 12.0733 12.0733 12.1872 12.1872 13.5396 13.5396 13.5940 13.5940 13.9702 13.9702 15.6296 15.6296 16.8313 16.8313 17.4485 17.4485 17.7983 17.7983 k = 0.4808-0.2776 0.3925 ( 4728 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5432 -28.5432 -25.8557 -25.8557 -25.3875 -25.3875 -25.2492 -25.2492 -17.0274 -17.0274 -17.0078 -17.0078 5.1745 5.1745 9.8915 9.8915 11.8067 11.8067 11.8524 11.8524 12.0767 12.0767 12.1434 12.1434 13.5531 13.5531 13.5936 13.5936 13.9746 13.9746 15.6133 15.6133 16.8298 16.8298 17.4376 17.4376 17.7803 17.7803 k = 0.4904-0.2831 0.4004 ( 4720 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5432 -28.5432 -25.8560 -25.8560 -25.3875 -25.3875 -25.2489 -25.2489 -17.0274 -17.0274 -17.0078 -17.0078 5.1770 5.1770 9.9050 9.9050 11.8163 11.8163 11.8486 11.8486 12.0799 12.0799 12.1140 12.1140 13.5616 13.5616 13.5930 13.5930 13.9773 13.9773 15.6033 15.6033 16.8290 16.8290 17.4310 17.4310 17.7694 17.7694 k = 0.5000-0.2887 0.4082 ( 4720 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5432 -28.5432 -25.8561 -25.8561 -25.3875 -25.3875 -25.2488 -25.2488 -17.0274 -17.0274 -17.0078 -17.0078 5.1778 5.1778 9.9096 9.9096 11.8210 11.8210 11.8461 11.8461 12.0820 12.0820 12.1027 12.1027 13.5646 13.5646 13.5927 13.5927 13.9782 13.9782 15.6000 15.6000 16.8287 16.8287 17.4288 17.4288 17.7658 17.7658 k = 0.5000-0.2887 0.4082 ( 4720 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5432 -28.5432 -25.8561 -25.8561 -25.3875 -25.3875 -25.2488 -25.2488 -17.0274 -17.0274 -17.0078 -17.0078 5.1778 5.1778 9.9096 9.9096 11.8210 11.8210 11.8461 11.8461 12.0820 12.0820 12.1027 12.1027 13.5646 13.5646 13.5927 13.5927 13.9782 13.9782 15.6000 15.6000 16.8287 16.8287 17.4288 17.4288 17.7658 17.7658 k = 0.5000-0.2776 0.4161 ( 4720 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5434 -28.5429 -25.8592 -25.8531 -25.3879 -25.3871 -25.2523 -25.2454 -17.0279 -17.0269 -17.0080 -17.0076 5.1773 5.1790 9.9094 9.9112 11.8118 11.8145 11.8354 11.8571 12.0482 12.0574 12.1266 12.1460 13.5501 13.5607 13.5997 13.6006 13.9728 13.9826 15.6044 15.6066 16.8260 16.8316 17.4186 17.4384 17.7613 17.7684 k = 0.5000-0.2665 0.4240 ( 4728 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5437 -28.5427 -25.8622 -25.8500 -25.3883 -25.3866 -25.2558 -25.2420 -17.0284 -17.0264 -17.0082 -17.0074 5.1777 5.1811 9.9105 9.9140 11.7796 11.8034 11.8358 11.8529 12.0128 12.0309 12.1655 12.1966 13.5313 13.5445 13.6068 13.6173 13.9665 13.9868 15.6195 15.6239 16.8233 16.8345 17.4076 17.4472 17.7550 17.7689 k = 0.5000-0.2554 0.4318 ( 4730 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5439 -28.5424 -25.8651 -25.8469 -25.3887 -25.3862 -25.2593 -25.2387 -17.0289 -17.0258 -17.0085 -17.0072 5.1788 5.1840 9.9129 9.9182 11.7382 11.7872 11.8308 11.8359 11.9910 12.0074 12.2078 12.2474 13.5122 13.5249 13.6089 13.6331 13.9608 13.9928 15.6442 15.6512 16.8206 16.8376 17.3957 17.4551 17.7475 17.7671 k = 0.5000-0.2443 0.4397 ( 4734 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5442 -28.5422 -25.8680 -25.8438 -25.3890 -25.3857 -25.2629 -25.2355 -17.0293 -17.0252 -17.0087 -17.0071 5.1808 5.1876 9.9166 9.9236 11.6915 11.7608 11.7995 11.8336 11.9805 11.9861 12.2519 12.2973 13.4935 13.5039 13.6043 13.6447 13.9583 14.0025 15.6773 15.6872 16.8180 16.8408 17.3826 17.4618 17.7390 17.7630 k = 0.5000-0.2332 0.4475 ( 4734 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5444 -28.5420 -25.8708 -25.8407 -25.3893 -25.3852 -25.2664 -25.2323 -17.0297 -17.0246 -17.0090 -17.0070 5.1835 5.1920 9.9217 9.9303 11.6413 11.7181 11.7724 11.8281 11.9668 11.9756 12.2969 12.3457 13.4754 13.4821 13.5927 13.6494 13.9622 14.0171 15.7174 15.7306 16.8155 16.8442 17.3682 17.4666 17.7303 17.7565 k = 0.5000-0.2221 0.4554 ( 4726 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5446 -28.5417 -25.8736 -25.8377 -25.3896 -25.3848 -25.2700 -25.2293 -17.0301 -17.0240 -17.0093 -17.0068 5.1868 5.1970 9.9281 9.9382 11.5890 11.6651 11.7482 11.8187 11.9496 11.9725 12.3421 12.3923 13.4578 13.4598 13.5748 13.6459 13.9748 14.0371 15.7627 15.7797 16.8131 16.8479 17.3523 17.4690 17.7218 17.7477 k = 0.5000-0.2110 0.4632 ( 4728 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5449 -28.5415 -25.8762 -25.8347 -25.3898 -25.3843 -25.2735 -25.2263 -17.0305 -17.0234 -17.0095 -17.0068 5.1909 5.2027 9.9358 9.9474 11.5353 11.6080 11.7231 11.8046 11.9349 11.9698 12.3869 12.4371 13.4372 13.4406 13.5520 13.6345 13.9967 14.0624 15.8120 15.8331 16.8107 16.8519 17.3347 17.4682 17.7141 17.7364 k = 0.5000-0.1999 0.4711 ( 4720 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5451 -28.5412 -25.8788 -25.8317 -25.3900 -25.3838 -25.2770 -25.2235 -17.0308 -17.0227 -17.0098 -17.0067 5.1955 5.2089 9.9448 9.9577 11.4809 11.5492 11.6961 11.7856 11.9229 11.9671 12.4310 12.4798 13.4145 13.4237 13.5261 13.6167 14.0268 14.0921 15.8640 15.8895 16.8085 16.8562 17.3154 17.4637 17.7073 17.7227 k = 0.5000-0.1887 0.4789 ( 4712 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5453 -28.5410 -25.8813 -25.8288 -25.3901 -25.3833 -25.2804 -25.2207 -17.0311 -17.0221 -17.0101 -17.0067 5.2006 5.2156 9.9551 9.9692 11.4263 11.4900 11.6668 11.7620 11.9134 11.9641 12.4742 12.5207 13.3918 13.4068 13.4987 13.5949 14.0635 14.1255 15.9175 15.9476 16.8064 16.8610 17.2943 17.4551 17.7010 17.7066 k = 0.5000-0.1776 0.4868 ( 4716 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5455 -28.5408 -25.8836 -25.8260 -25.3903 -25.3828 -25.2838 -25.2181 -17.0314 -17.0214 -17.0104 -17.0067 5.2062 5.2227 9.9666 9.9817 11.3719 11.4308 11.6354 11.7345 11.9060 11.9609 12.5164 12.5597 13.3692 13.3896 13.4712 13.5708 14.1051 14.1616 15.9717 16.0067 16.8044 16.8662 17.2715 17.4426 17.6883 17.6942 k = 0.5000-0.1665 0.4946 ( 4704 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5457 -28.5406 -25.8859 -25.8232 -25.3903 -25.3824 -25.2871 -25.2156 -17.0316 -17.0207 -17.0106 -17.0067 5.2121 5.2302 9.9793 9.9953 11.3180 11.3723 11.6023 11.7041 11.9000 11.9575 12.5574 12.5969 13.3470 13.3719 13.4448 13.5458 14.1502 14.1997 16.0260 16.0659 16.8027 16.8721 17.2470 17.4266 17.6677 17.6848 k = 0.5000-0.1554 0.5025 ( 4706 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5459 -28.5404 -25.8880 -25.8206 -25.3904 -25.3820 -25.2903 -25.2133 -17.0319 -17.0201 -17.0109 -17.0068 5.2183 5.2378 9.9931 10.0099 11.2649 11.3147 11.5679 11.6716 11.8950 11.9541 12.5972 12.6325 13.3251 13.3533 13.4203 13.5209 14.1976 14.2391 16.0799 16.1246 16.8012 16.8785 17.2210 17.4077 17.6451 17.6707 k = 0.5000-0.1443 0.5103 ( 4698 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5460 -28.5402 -25.8900 -25.8181 -25.3903 -25.3815 -25.2934 -25.2111 -17.0321 -17.0194 -17.0111 -17.0069 5.2246 5.2456 10.0080 10.0254 11.2129 11.2584 11.5326 11.6379 11.8907 11.9507 12.6359 12.6665 13.3038 13.3338 13.3983 13.4965 14.2464 14.2791 16.1330 16.1824 16.8001 16.8857 17.1936 17.3865 17.6207 17.6502 k = 0.5000-0.1332 0.5182 ( 4702 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5462 -28.5400 -25.8919 -25.8157 -25.3903 -25.3811 -25.2964 -25.2090 -17.0323 -17.0187 -17.0114 -17.0070 5.2311 5.2533 10.0239 10.0417 11.1623 11.2037 11.4969 11.6036 11.8870 11.9473 12.6733 12.6992 13.2829 13.3134 13.3789 13.4731 14.2958 14.3191 16.1852 16.2390 16.7995 16.8935 17.1648 17.3637 17.5946 17.6236 k = 0.5000-0.1221 0.5260 ( 4704 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5464 -28.5399 -25.8937 -25.8135 -25.3902 -25.3808 -25.2992 -25.2071 -17.0325 -17.0180 -17.0116 -17.0072 5.2375 5.2610 10.0406 10.0587 11.1134 11.1509 11.4616 11.5695 11.8836 11.9440 12.7096 12.7308 13.2626 13.2925 13.3618 13.4509 14.3448 14.3586 16.2362 16.2939 16.7996 16.9021 17.1351 17.3398 17.5672 17.5919 k = 0.5000-0.1110 0.5339 ( 4702 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5465 -28.5397 -25.8953 -25.8114 -25.3901 -25.3804 -25.3019 -25.2053 -17.0326 -17.0173 -17.0118 -17.0074 5.2438 5.2684 10.0580 10.0762 11.0663 11.1002 11.4270 11.5362 11.8805 11.9409 12.7446 12.7612 13.2427 13.2714 13.3466 13.4302 14.3928 14.3970 16.2860 16.3469 16.8006 16.9113 17.1045 17.3154 17.5386 17.5566 k = 0.5000-0.0999 0.5417 ( 4714 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5467 -28.5396 -25.8968 -25.8094 -25.3901 -25.3801 -25.3044 -25.2037 -17.0328 -17.0167 -17.0121 -17.0077 5.2498 5.2756 10.0759 10.0940 11.0215 11.0520 11.3938 11.5042 11.8778 11.9380 12.7786 12.7906 13.2232 13.2502 13.3330 13.4109 14.4336 14.4389 16.3346 16.3975 16.8029 16.9207 17.0737 17.2907 17.5093 17.5192 k = 0.5000-0.0888 0.5496 ( 4710 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5468 -28.5395 -25.8981 -25.8077 -25.3899 -25.3798 -25.3067 -25.2023 -17.0329 -17.0160 -17.0122 -17.0079 5.2555 5.2823 10.0940 10.1119 10.9792 11.0066 11.3625 11.4741 11.8753 11.9353 12.8115 12.8192 13.2038 13.2292 13.3210 13.3933 14.4681 14.4826 16.3820 16.4451 16.8070 16.9296 17.0436 17.2660 17.4796 17.4808 k = 0.5000-0.0777 0.5574 ( 4702 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5469 -28.5394 -25.8993 -25.8061 -25.3897 -25.3796 -25.3088 -25.2010 -17.0330 -17.0153 -17.0124 -17.0082 5.2608 5.2885 10.1120 10.1296 10.9399 10.9643 11.3336 11.4464 11.8730 11.9328 12.8432 12.8470 13.1845 13.2082 13.3103 13.3776 14.5000 14.5231 16.4281 16.4889 16.8137 16.9352 17.0169 17.2413 17.4424 17.4500 k = 0.5000-0.0666 0.5653 ( 4702 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5470 -28.5393 -25.9003 -25.8047 -25.3896 -25.3793 -25.3106 -25.1999 -17.0331 -17.0147 -17.0125 -17.0085 5.2656 5.2941 10.1295 10.1466 10.9039 10.9257 11.3076 11.4214 11.8711 11.9306 12.8739 12.8740 13.1651 13.1872 13.3011 13.3637 14.5286 14.5598 16.4730 16.5279 16.8238 16.9304 17.0005 17.2164 17.4052 17.4211 k = 0.5000-0.0555 0.5731 ( 4702 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5471 -28.5392 -25.9012 -25.8035 -25.3894 -25.3791 -25.3122 -25.1989 -17.0332 -17.0141 -17.0127 -17.0089 5.2698 5.2990 10.1460 10.1626 10.8719 10.8914 11.2848 11.3997 11.8694 11.9288 12.9002 12.9034 13.1454 13.1660 13.2932 13.3519 14.5537 14.5920 16.5166 16.5610 16.8382 16.9101 16.9998 17.1911 17.3707 17.3935 k = 0.5000-0.0444 0.5810 ( 4706 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5471 -28.5391 -25.9019 -25.8025 -25.3893 -25.3790 -25.3136 -25.1981 -17.0333 -17.0135 -17.0128 -17.0093 5.2734 5.3031 10.1609 10.1770 10.8443 10.8618 11.2657 11.3814 11.8680 11.9272 12.9255 12.9318 13.1255 13.1447 13.2868 13.3422 14.5747 14.6193 16.5587 16.5874 16.8573 16.8806 17.0076 17.1650 17.3404 17.3681 k = 0.5000-0.0333 0.5888 ( 4710 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5472 -28.5391 -25.9024 -25.8017 -25.3892 -25.3789 -25.3146 -25.1975 -17.0333 -17.0129 -17.0129 -17.0097 5.2762 5.3064 10.1736 10.1891 10.8219 10.8377 11.2505 11.3669 11.8669 11.9260 12.9496 12.9586 13.1057 13.1233 13.2818 13.3346 14.5915 14.6410 16.5992 16.6068 16.8479 16.8804 17.0178 17.1380 17.3158 17.3459 k = 0.5000-0.0222 0.5967 ( 4718 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5473 -28.5391 -25.9029 -25.8012 -25.3891 -25.3788 -25.3154 -25.1971 -17.0333 -17.0129 -17.0123 -17.0101 5.2783 5.3088 10.1832 10.1984 10.8053 10.8199 11.2395 11.3564 11.8662 11.9251 12.9719 12.9834 13.0865 13.1026 13.2783 13.3292 14.6037 14.6568 16.6197 16.6373 16.8148 16.9049 17.0272 17.1116 17.2978 17.3284 k = 0.5000-0.0111 0.6045 ( 4712 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5473 -28.5390 -25.9031 -25.8009 -25.3891 -25.3787 -25.3159 -25.1968 -17.0334 -17.0130 -17.0118 -17.0106 5.2795 5.3102 10.1894 10.2043 10.7950 10.8089 11.2328 11.3500 11.8657 11.9245 12.9901 13.0039 13.0701 13.0845 13.2761 13.3259 14.6111 14.6665 16.6270 16.6699 16.7849 16.9260 17.0338 17.0899 17.2869 17.3171 k = 0.5000-0.0000 0.6124 ( 4712 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5473 -28.5390 -25.9032 -25.8007 -25.3891 -25.3787 -25.3160 -25.1967 -17.0334 -17.0130 -17.0115 -17.0108 5.2799 5.3107 10.1914 10.2062 10.7915 10.8051 11.2306 11.3479 11.8655 11.9244 12.9982 13.0133 13.0626 13.0759 13.2754 13.3249 14.6135 14.6697 16.6293 16.6857 16.7701 16.9348 17.0361 17.0808 17.2833 17.3131 k = 0.5000-0.0000 0.6124 ( 4712 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5473 -28.5390 -25.9032 -25.8007 -25.3891 -25.3787 -25.3160 -25.1967 -17.0334 -17.0130 -17.0115 -17.0108 5.2799 5.3107 10.1914 10.2062 10.7915 10.8051 11.2306 11.3479 11.8655 11.9244 12.9982 13.0133 13.0626 13.0759 13.2754 13.3249 14.6135 14.6697 16.6293 16.6857 16.7701 16.9348 17.0361 17.0808 17.2833 17.3131 k = 0.4934 0.0114 0.6124 ( 4712 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5473 -28.5390 -25.9031 -25.8008 -25.3891 -25.3787 -25.3159 -25.1968 -17.0334 -17.0130 -17.0117 -17.0107 5.2797 5.3105 10.1905 10.2054 10.7853 10.8063 11.2325 11.3502 11.8671 11.9260 12.9957 13.0101 13.0660 13.0814 13.2758 13.3258 14.6109 14.6670 16.6173 16.6883 16.7796 16.9318 17.0226 17.0995 17.2860 17.3170 k = 0.4868 0.0228 0.6124 ( 4712 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5473 -28.5390 -25.9029 -25.8009 -25.3891 -25.3788 -25.3157 -25.1970 -17.0333 -17.0131 -17.0120 -17.0103 5.2791 5.3099 10.1879 10.2032 10.7719 10.8044 11.2379 11.3563 11.8717 11.9309 12.9910 13.0040 13.0752 13.0935 13.2768 13.3281 14.6027 14.6586 16.5941 16.6892 16.8009 16.9293 16.9980 17.1352 17.2953 17.3263 k = 0.4803 0.0342 0.6124 ( 4710 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5472 -28.5391 -25.9026 -25.8010 -25.3891 -25.3789 -25.3153 -25.1974 -17.0333 -17.0131 -17.0123 -17.0099 5.2781 5.3089 10.1844 10.2001 10.7550 10.7973 11.2460 11.3641 11.8791 11.9385 12.9875 12.9995 13.0877 13.1082 13.2785 13.3314 14.5888 14.6444 16.5694 16.6888 16.8206 16.9313 16.9785 17.1711 17.3135 17.3386 k = 0.4737 0.0456 0.6124 ( 4702 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5472 -28.5391 -25.9022 -25.8012 -25.3892 -25.3790 -25.3148 -25.1978 -17.0332 -17.0132 -17.0126 -17.0095 5.2768 5.3076 10.1802 10.1966 10.7358 10.7855 11.2556 11.3719 11.8889 11.9486 12.9867 12.9991 13.1018 13.1237 13.2811 13.3356 14.5692 14.6243 16.5462 16.6896 16.8317 16.9239 16.9843 17.2011 17.3408 17.3542 k = 0.4671 0.0570 0.6124 ( 4698 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5471 -28.5391 -25.9017 -25.8015 -25.3893 -25.3792 -25.3141 -25.1983 -17.0332 -17.0133 -17.0130 -17.0091 5.2754 5.3062 10.1757 10.1929 10.7153 10.7705 11.2652 11.3780 11.9011 11.9609 12.9893 13.0040 13.1168 13.1394 13.2845 13.3404 14.5439 14.5984 16.5252 16.6925 16.8368 16.9058 17.0142 17.2236 17.3642 17.3852 k = 0.4605 0.0684 0.6124 ( 4704 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5471 -28.5392 -25.9012 -25.8018 -25.3894 -25.3794 -25.3134 -25.1990 -17.0331 -17.0134 -17.0133 -17.0087 5.2738 5.3046 10.1712 10.1892 10.6945 10.7535 11.2738 11.3814 11.9150 11.9749 12.9956 13.0144 13.1321 13.1551 13.2889 13.3460 14.5130 14.5670 16.5069 16.6975 16.8398 16.8893 17.0522 17.2400 17.3813 17.4306 k = 0.4539 0.0798 0.6124 ( 4698 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5471 -28.5392 -25.9006 -25.8022 -25.3895 -25.3796 -25.3125 -25.1997 -17.0330 -17.0137 -17.0134 -17.0084 5.2721 5.3029 10.1667 10.1855 10.6739 10.7356 11.2805 11.3816 11.9304 11.9903 13.0059 13.0297 13.1474 13.1708 13.2945 13.3524 14.4770 14.5306 16.4910 16.7037 16.8419 16.8799 17.0919 17.2526 17.3987 17.4807 k = 0.4474 0.0912 0.6124 ( 4694 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5470 -28.5392 -25.8999 -25.8026 -25.3896 -25.3799 -25.3115 -25.2004 -17.0330 -17.0140 -17.0135 -17.0080 5.2703 5.3012 10.1625 10.1819 10.6541 10.7178 11.2851 11.3786 11.9466 12.0064 13.0198 13.0494 13.1625 13.1866 13.3015 13.3595 14.4363 14.4897 16.4773 16.7093 16.8433 16.8808 17.1304 17.2629 17.4171 17.5327 k = 0.4408 0.1026 0.6124 ( 4693 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5470 -28.5393 -25.8992 -25.8030 -25.3897 -25.3801 -25.3106 -25.2012 -17.0329 -17.0143 -17.0136 -17.0077 5.2686 5.2995 10.1585 10.1785 10.6354 10.7006 11.2874 11.3727 11.9630 12.0227 13.0368 13.0723 13.1776 13.2028 13.3100 13.3674 14.3913 14.4451 16.4655 16.7123 16.8477 16.8908 17.1658 17.2719 17.4370 17.5850 k = 0.4342 0.1140 0.6124 ( 4695 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8343 -28.5469 -28.5394 -25.8985 -25.8035 -25.3898 -25.3804 -25.3096 -25.2020 -17.0328 -17.0146 -17.0136 -17.0074 5.2669 5.2978 10.1549 10.1751 10.6183 10.6846 11.2878 11.3644 11.9791 12.0389 13.0561 13.0963 13.1929 13.2201 13.3203 13.3762 14.3428 14.3975 16.4552 16.7114 16.8590 16.9068 17.1962 17.2806 17.4585 17.6367 k = 0.4276 0.1253 0.6124 ( 4703 PWs) bands (ev): -55.8929 -55.8928 -52.8344 -52.8343 -28.5469 -28.5394 -25.8979 -25.8039 -25.3900 -25.3806 -25.3086 -25.2028 -17.0327 -17.0149 -17.0137 -17.0071 5.2653 5.2962 10.1518 10.1719 10.6029 10.6701 11.2865 11.3542 11.9945 12.0543 13.0765 13.1191 13.2088 13.2400 13.3325 13.3860 14.2913 14.3480 16.4463 16.7071 16.8773 16.9266 17.2195 17.2905 17.4817 17.6871 k = 0.4211 0.1367 0.6124 ( 4705 PWs) bands (ev): -55.8929 -55.8928 -52.8344 -52.8343 -28.5469 -28.5395 -25.8972 -25.8043 -25.3902 -25.3808 -25.3076 -25.2036 -17.0327 -17.0152 -17.0137 -17.0069 5.2637 5.2947 10.1490 10.1688 10.5893 10.6572 11.2841 11.3430 12.0087 12.0686 13.0968 13.1380 13.2245 13.2647 13.3467 13.3969 14.2379 14.2977 16.4387 16.7008 16.9008 16.9489 17.2346 17.3027 17.5063 17.7356 k = 0.4145 0.1481 0.6124 ( 4707 PWs) bands (ev): -55.8929 -55.8928 -52.8344 -52.8343 -28.5469 -28.5395 -25.8967 -25.8047 -25.3903 -25.3810 -25.3067 -25.2043 -17.0326 -17.0154 -17.0138 -17.0066 5.2624 5.2934 10.1467 10.1659 10.5777 10.6461 11.2811 11.3313 12.0214 12.0815 13.1157 13.1521 13.2387 13.2951 13.3625 13.4094 14.1836 14.2476 16.4321 16.6940 16.9274 16.9723 17.2420 17.3165 17.5319 17.7813 k = 0.4079 0.1595 0.6124 ( 4707 PWs) bands (ev): -55.8929 -55.8928 -52.8343 -52.8343 -28.5468 -28.5396 -25.8961 -25.8051 -25.3904 -25.3812 -25.3059 -25.2050 -17.0325 -17.0156 -17.0138 -17.0065 5.2612 5.2922 10.1448 10.1632 10.5681 10.6368 11.2781 11.3197 12.0325 12.0927 13.1324 13.1618 13.2508 13.3291 13.3796 13.4241 14.1297 14.1992 16.4265 16.6874 16.9550 16.9955 17.2440 17.3302 17.5579 17.8193 k = 0.4013 0.1709 0.6124 ( 4707 PWs) bands (ev): -55.8929 -55.8928 -52.8343 -52.8343 -28.5468 -28.5396 -25.8957 -25.8054 -25.3906 -25.3813 -25.3052 -25.2055 -17.0325 -17.0157 -17.0138 -17.0063 5.2602 5.2912 10.1434 10.1607 10.5603 10.6293 11.2755 11.3088 12.0417 12.1021 13.1461 13.1684 13.2607 13.3605 13.3994 13.4414 14.0779 14.1542 16.4220 16.6816 16.9818 17.0171 17.2425 17.3424 17.5834 17.8133 k = 0.3947 0.1823 0.6124 ( 4712 PWs) bands (ev): -55.8929 -55.8928 -52.8343 -52.8343 -28.5468 -28.5397 -25.8953 -25.8057 -25.3907 -25.3814 -25.3047 -25.2060 -17.0324 -17.0159 -17.0139 -17.0062 5.2593 5.2905 10.1424 10.1586 10.5544 10.6235 11.2739 11.2990 12.0489 12.1095 13.1567 13.1727 13.2684 13.3812 13.4260 13.4599 14.0308 14.1148 16.4185 16.6769 17.0060 17.0356 17.2391 17.3523 17.6074 17.7988 k = 0.3882 0.1937 0.6124 ( 4712 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5468 -28.5397 -25.8950 -25.8059 -25.3907 -25.3815 -25.3042 -25.2063 -17.0324 -17.0160 -17.0139 -17.0061 5.2588 5.2899 10.1418 10.1569 10.5502 10.6194 11.2735 11.2907 12.0542 12.1149 13.1642 13.1753 13.2740 13.3918 13.4546 13.4768 13.9917 14.0835 16.4159 16.6735 17.0259 17.0495 17.2350 17.3595 17.6283 17.7843 k = 0.3816 0.2051 0.6124 ( 4708 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5467 -28.5397 -25.8949 -25.8060 -25.3908 -25.3815 -25.3040 -25.2065 -17.0324 -17.0160 -17.0139 -17.0060 5.2584 5.2895 10.1414 10.1558 10.5478 10.6170 11.2744 11.2844 12.0573 12.1181 13.1687 13.1766 13.2773 13.3971 13.4761 13.4887 13.9651 14.0631 16.4144 16.6714 17.0393 17.0579 17.2317 17.3640 17.6436 17.7728 k = 0.3750 0.2165 0.6124 ( 4714 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5467 -28.5397 -25.8948 -25.8060 -25.3908 -25.3816 -25.3039 -25.2066 -17.0324 -17.0160 -17.0139 -17.0060 5.2583 5.2894 10.1413 10.1555 10.5470 10.6162 11.2755 11.2814 12.0584 12.1191 13.1703 13.1770 13.2785 13.3987 13.4842 13.4929 13.9556 14.0560 16.4139 16.6706 17.0441 17.0607 17.2305 17.3655 17.6495 17.7682 k = 0.3750 0.2165 0.6124 ( 4714 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5467 -28.5397 -25.8948 -25.8060 -25.3908 -25.3816 -25.3039 -25.2066 -17.0324 -17.0160 -17.0139 -17.0060 5.2583 5.2894 10.1413 10.1555 10.5470 10.6162 11.2755 11.2814 12.0584 12.1191 13.1703 13.1770 13.2785 13.3987 13.4842 13.4929 13.9556 14.0560 16.4139 16.6706 17.0441 17.0607 17.2305 17.3655 17.6495 17.7682 k = 0.3682 0.2126 0.6012 ( 4706 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5468 -28.5396 -25.8952 -25.8041 -25.3907 -25.3817 -25.3056 -25.2061 -17.0323 -17.0154 -17.0143 -17.0060 5.2627 5.2953 10.1683 10.1835 10.4597 10.5317 11.2238 11.2296 12.0846 12.1493 13.2026 13.2234 13.2721 13.3959 13.4797 13.5211 13.9616 14.0633 16.3680 16.6432 17.1254 17.1345 17.2834 17.4029 17.6627 17.7868 k = 0.3614 0.2086 0.5901 ( 4710 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5469 -28.5396 -25.8954 -25.8023 -25.3906 -25.3819 -25.3071 -25.2059 -17.0323 -17.0148 -17.0147 -17.0060 5.2661 5.3002 10.1947 10.2131 10.3741 10.4513 11.1731 11.1788 12.1118 12.1806 13.2137 13.2643 13.2667 13.3893 13.4901 13.5625 13.9683 14.0713 16.3214 16.6126 17.1742 17.1755 17.3703 17.4796 17.6788 17.8128 k = 0.3545 0.2047 0.5790 ( 4716 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5470 -28.5396 -25.8954 -25.8006 -25.3905 -25.3821 -25.3084 -25.2060 -17.0323 -17.0151 -17.0142 -17.0060 5.2684 5.3038 10.2161 10.2442 10.2908 10.3802 11.1236 11.1292 12.1398 12.2127 13.2140 13.2614 13.2903 13.3777 13.5186 13.6134 13.9757 14.0799 16.2755 16.5807 17.1997 17.2013 17.4648 17.5860 17.6991 17.8510 k = 0.3477 0.2008 0.5678 ( 4716 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5471 -28.5396 -25.8951 -25.7990 -25.3904 -25.3824 -25.3096 -25.2062 -17.0322 -17.0155 -17.0137 -17.0060 5.2693 5.3059 10.2098 10.2142 10.2775 10.3368 11.0756 11.0811 12.1684 12.2454 13.2079 13.2554 13.3038 13.3627 13.5606 13.6696 13.9840 14.0893 16.2315 16.5492 17.2169 17.2228 17.5476 17.6901 17.7404 17.9070 k = 0.3409 0.1968 0.5567 ( 4696 PWs) bands (ev): -55.8930 -55.8929 -52.8342 -52.8342 -28.5471 -28.5395 -25.8946 -25.7974 -25.3902 -25.3827 -25.3106 -25.2067 -17.0320 -17.0158 -17.0131 -17.0060 5.2686 5.3063 10.1325 10.1696 10.3119 10.3411 11.0291 11.0347 12.1973 12.2785 13.1981 13.2484 13.3091 13.3460 13.6094 13.7279 13.9931 14.0995 16.1905 16.5193 17.2301 17.2471 17.6098 17.7302 17.8529 17.9799 k = 0.3341 0.1929 0.5456 ( 4694 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8342 -28.5471 -28.5396 -25.8938 -25.7960 -25.3901 -25.3831 -25.3115 -25.2075 -17.0319 -17.0162 -17.0126 -17.0060 5.2661 5.3048 10.0590 10.1067 10.3479 10.3690 10.9845 10.9901 12.2263 12.3115 13.1861 13.2406 13.3093 13.3286 13.6603 13.7859 14.0029 14.1106 16.1535 16.4920 17.2443 17.2741 17.6526 17.7569 17.9572 18.0381 k = 0.3273 0.1890 0.5344 ( 4694 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8342 -28.5472 -28.5396 -25.8928 -25.7946 -25.3899 -25.3835 -25.3122 -25.2085 -17.0317 -17.0165 -17.0121 -17.0060 5.2616 5.3010 9.9898 10.0419 10.3853 10.4047 10.9418 10.9475 12.2552 12.3443 13.1725 13.2324 13.3043 13.3132 13.7100 13.8416 14.0136 14.1227 16.1215 16.4683 17.2611 17.3044 17.6821 17.7835 17.9888 18.0832 k = 0.3205 0.1850 0.5233 ( 4708 PWs) bands (ev): -55.8931 -55.8930 -52.8342 -52.8341 -28.5472 -28.5397 -25.8915 -25.7934 -25.3898 -25.3840 -25.3129 -25.2097 -17.0315 -17.0169 -17.0117 -17.0061 5.2549 5.2949 9.9252 9.9796 10.4241 10.4439 10.9012 10.9070 12.2838 12.3765 13.1579 13.2239 13.2893 13.3056 13.7570 13.8936 14.0251 14.1359 16.0954 16.4492 17.2814 17.3385 17.7035 17.8104 18.0021 18.1045 k = 0.3136 0.1811 0.5122 ( 4720 PWs) bands (ev): -55.8931 -55.8931 -52.8341 -52.8341 -28.5473 -28.5398 -25.8900 -25.7921 -25.3896 -25.3844 -25.3136 -25.2113 -17.0313 -17.0172 -17.0112 -17.0061 5.2457 5.2863 9.8658 9.9212 10.4639 10.4853 10.8630 10.8691 12.3119 12.4078 13.1425 13.2153 13.2713 13.2997 13.8000 13.9407 14.0373 14.1504 16.0760 16.4352 17.3057 17.3766 17.7199 17.8368 18.0151 18.1223 k = 0.3068 0.1771 0.5010 ( 4714 PWs) bands (ev): -55.8931 -55.8931 -52.8341 -52.8341 -28.5473 -28.5399 -25.8882 -25.7910 -25.3894 -25.3848 -25.3141 -25.2130 -17.0310 -17.0175 -17.0108 -17.0061 5.2340 5.2748 9.8119 9.8676 10.5046 10.5282 10.8275 10.8339 12.3391 12.4378 13.1268 13.2065 13.2529 13.2932 13.8383 13.9818 14.0502 14.1663 16.0640 16.4269 17.3343 17.4191 17.7331 17.8612 18.0314 18.1401 k = 0.3000 0.1732 0.4899 ( 4706 PWs) bands (ev): -55.8932 -55.8932 -52.8340 -52.8340 -28.5472 -28.5400 -25.8862 -25.7898 -25.3892 -25.3852 -25.3146 -25.2149 -17.0308 -17.0177 -17.0104 -17.0062 5.2196 5.2604 9.7639 9.8192 10.5454 10.5717 10.7954 10.8022 12.3654 12.4661 13.1110 13.1977 13.2346 13.2860 13.8714 14.0162 14.0639 14.1836 16.0600 16.4247 17.3673 17.4660 17.7439 17.8817 18.0531 18.1591 k = 0.2932 0.1693 0.4788 ( 4706 PWs) bands (ev): -55.8932 -55.8932 -52.8340 -52.8340 -28.5472 -28.5401 -25.8839 -25.7887 -25.3890 -25.3855 -25.3151 -25.2171 -17.0305 -17.0180 -17.0101 -17.0062 5.2023 5.2430 9.7219 9.7765 10.5848 10.6139 10.7684 10.7753 12.3904 12.4923 13.0954 13.1888 13.2166 13.2781 13.8989 14.0436 14.0782 14.2023 16.0643 16.4288 17.4049 17.5172 17.7530 17.8971 18.0816 18.1797 k = 0.2864 0.1653 0.4676 ( 4710 PWs) bands (ev): -55.8933 -55.8932 -52.8339 -52.8339 -28.5472 -28.5403 -25.8814 -25.7876 -25.3889 -25.3859 -25.3155 -25.2196 -17.0301 -17.0182 -17.0097 -17.0063 5.1821 5.2223 9.6864 9.7397 10.6194 10.6488 10.7523 10.7567 12.4139 12.5160 13.0805 13.1800 13.1989 13.2697 13.9208 14.0643 14.0932 14.2217 16.0770 16.4392 17.4469 17.5725 17.7607 17.9074 18.1169 18.2021 k = 0.2795 0.1614 0.4565 ( 4702 PWs) bands (ev): -55.8933 -55.8933 -52.8339 -52.8339 -28.5472 -28.5404 -25.8786 -25.7866 -25.3886 -25.3862 -25.3160 -25.2223 -17.0298 -17.0184 -17.0094 -17.0063 5.1588 5.1985 9.6573 9.7090 10.6403 10.6616 10.7550 10.7617 12.4358 12.5367 13.0667 13.1713 13.1818 13.2607 13.9371 14.0788 14.1089 14.2415 16.0978 16.4557 17.4930 17.6309 17.7683 17.9134 18.1578 18.2264 k = 0.2727 0.1575 0.4454 ( 4694 PWs) bands (ev): -55.8934 -55.8934 -52.8338 -52.8338 -28.5471 -28.5405 -25.8755 -25.7855 -25.3884 -25.3865 -25.3165 -25.2252 -17.0294 -17.0186 -17.0092 -17.0064 5.1326 5.1715 9.6349 9.6846 10.6410 10.6518 10.7767 10.7972 12.4558 12.5539 13.0541 13.1629 13.1654 13.2514 13.9483 14.0880 14.1252 14.2611 16.1265 16.4779 17.5430 17.6885 17.7793 17.9165 18.2030 18.2525 k = 0.2659 0.1535 0.4342 ( 4698 PWs) bands (ev): -55.8934 -55.8934 -52.8338 -52.8338 -28.5471 -28.5407 -25.8723 -25.7844 -25.3882 -25.3867 -25.3170 -25.2283 -17.0290 -17.0188 -17.0089 -17.0064 5.1034 5.1412 9.6191 9.6664 10.6297 10.6349 10.8136 10.8428 12.4737 12.5673 13.0431 13.1498 13.1552 13.2417 13.9548 14.0925 14.1422 14.2804 16.1622 16.5054 17.5959 17.7311 17.8077 17.9178 18.2508 18.2802 k = 0.2591 0.1496 0.4231 ( 4702 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5471 -28.5409 -25.8688 -25.7833 -25.3880 -25.3870 -25.3175 -25.2317 -17.0286 -17.0189 -17.0087 -17.0065 5.0712 5.1079 9.6100 9.6546 10.6149 10.6175 10.8566 10.8918 12.4895 12.5764 13.0338 13.1352 13.1484 13.2317 13.9573 14.0931 14.1598 14.2992 16.2043 16.5376 17.6504 17.7466 17.8651 17.9191 18.2995 18.3092 k = 0.2523 0.1456 0.4120 ( 4702 PWs) bands (ev): -55.8936 -55.8935 -52.8336 -52.8336 -28.5470 -28.5411 -25.8651 -25.7822 -25.3878 -25.3871 -25.3182 -25.2352 -17.0281 -17.0190 -17.0085 -17.0066 5.0363 5.0715 9.6075 9.6490 10.6003 10.6014 10.9021 10.9421 12.5030 12.5811 13.0259 13.1216 13.1430 13.2217 13.9564 14.0906 14.1777 14.3177 16.2519 16.5739 17.7042 17.7496 17.9228 17.9362 18.3388 18.3472 k = 0.2455 0.1417 0.4008 ( 4702 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5470 -28.5414 -25.8611 -25.7810 -25.3876 -25.3873 -25.3188 -25.2390 -17.0276 -17.0191 -17.0084 -17.0067 4.9986 5.0324 9.6114 9.6496 10.5870 10.5873 10.9485 10.9928 12.5141 12.5815 13.0190 13.1092 13.1399 13.2117 13.9531 14.0856 14.1959 14.3359 16.3041 16.6138 17.7482 17.7523 17.9334 18.0121 18.3683 18.3915 k = 0.2386 0.1378 0.3897 ( 4702 PWs) bands (ev): -55.8937 -55.8937 -52.8335 -52.8335 -28.5470 -28.5416 -25.8570 -25.7798 -25.3874 -25.3874 -25.3196 -25.2429 -17.0272 -17.0191 -17.0083 -17.0068 4.9585 4.9906 9.6217 9.6562 10.5754 10.5757 10.9949 11.0431 12.5229 12.5779 13.0121 13.0980 13.1397 13.2022 13.9480 14.0788 14.2144 14.3539 16.3601 16.6565 17.7444 17.7871 17.9584 18.0896 18.3966 18.4293 k = 0.2318 0.1338 0.3786 ( 4708 PWs) bands (ev): -55.8938 -55.8937 -52.8334 -52.8334 -28.5469 -28.5418 -25.8526 -25.7785 -25.3874 -25.3872 -25.3205 -25.2471 -17.0267 -17.0191 -17.0082 -17.0069 4.9160 4.9464 9.6380 9.6686 10.5659 10.5667 11.0407 11.0925 12.5292 12.5706 13.0044 13.0876 13.1432 13.1934 13.9420 14.0710 14.2330 14.3717 16.4190 16.7016 17.7389 17.8043 18.0016 18.1663 18.4222 18.4572 k = 0.2250 0.1299 0.3674 ( 4702 PWs) bands (ev): -55.8938 -55.8938 -52.8333 -52.8333 -28.5469 -28.5420 -25.8481 -25.7771 -25.3874 -25.3870 -25.3214 -25.2514 -17.0261 -17.0191 -17.0081 -17.0070 4.8715 4.9001 9.6601 9.6865 10.5589 10.5600 11.0854 11.1406 12.5334 12.5604 12.9952 13.0778 13.1507 13.1861 13.9358 14.0629 14.2516 14.3894 16.4800 16.7484 17.7321 17.8080 18.0584 18.2398 18.4435 18.4718 k = 0.2182 0.1260 0.3563 ( 4702 PWs) bands (ev): -55.8939 -55.8939 -52.8333 -52.8333 -28.5469 -28.5423 -25.8434 -25.7757 -25.3874 -25.3868 -25.3225 -25.2558 -17.0256 -17.0191 -17.0081 -17.0072 4.8251 4.8519 9.6876 9.7098 10.5545 10.5557 11.1286 11.1868 12.5354 12.5479 12.9841 13.0678 13.1624 13.1811 13.9301 14.0552 14.2701 14.4069 16.5425 16.7965 17.7243 17.8041 18.1223 18.3063 18.4595 18.4704 k = 0.2114 0.1220 0.3452 ( 4714 PWs) bands (ev): -55.8940 -55.8940 -52.8332 -52.8332 -28.5468 -28.5426 -25.8385 -25.7741 -25.3874 -25.3867 -25.3236 -25.2605 -17.0250 -17.0190 -17.0081 -17.0073 4.7771 4.8021 9.7204 9.7382 10.5525 10.5539 11.1697 11.2305 12.5338 12.5355 12.9710 13.0571 13.1780 13.1792 13.9255 14.0485 14.2886 14.4242 16.6059 16.8453 17.7157 17.7962 18.1892 18.3581 18.4524 18.4739 k = 0.2045 0.1181 0.3340 ( 4720 PWs) bands (ev): -55.8941 -55.8941 -52.8331 -52.8331 -28.5468 -28.5428 -25.8334 -25.7725 -25.3873 -25.3865 -25.3249 -25.2652 -17.0245 -17.0189 -17.0081 -17.0075 4.7278 4.7510 9.7580 9.7712 10.5531 10.5546 11.2084 11.2714 12.5186 12.5340 12.9560 13.0448 13.1815 13.1971 13.9225 14.0433 14.3069 14.4411 16.6696 16.8946 17.7065 17.7860 18.2567 18.3791 18.4189 18.4994 k = 0.1977 0.1142 0.3229 ( 4724 PWs) bands (ev): -55.8942 -55.8941 -52.8330 -52.8330 -28.5468 -28.5431 -25.8283 -25.7708 -25.3872 -25.3863 -25.3263 -25.2701 -17.0239 -17.0188 -17.0082 -17.0076 4.6775 4.6988 9.8000 9.8085 10.5563 10.5579 11.2442 11.3088 12.5028 12.5310 12.9393 13.0305 13.1885 13.2197 13.9217 14.0402 14.3250 14.4577 16.7332 16.9439 17.6969 17.7745 18.3197 18.3647 18.3758 18.5398 k = 0.1909 0.1102 0.3118 ( 4720 PWs) bands (ev): -55.8942 -55.8942 -52.8329 -52.8329 -28.5468 -28.5433 -25.8229 -25.7690 -25.3871 -25.3862 -25.3278 -25.2751 -17.0233 -17.0186 -17.0082 -17.0078 4.6264 4.6459 9.8461 9.8499 10.5621 10.5636 11.2767 11.3423 12.4869 12.5266 12.9208 13.0141 13.2007 13.2454 13.9233 14.0396 14.3428 14.4739 16.7962 16.9930 17.6871 17.7621 18.3066 18.3268 18.3965 18.5840 k = 0.1841 0.1063 0.3006 ( 4728 PWs) bands (ev): -55.8943 -55.8943 -52.8328 -52.8328 -28.5468 -28.5436 -25.8175 -25.7671 -25.3869 -25.3860 -25.3294 -25.2803 -17.0227 -17.0184 -17.0083 -17.0079 4.5748 4.5925 9.8949 9.8958 10.5703 10.5719 11.3057 11.3717 12.4711 12.5211 12.9008 12.9955 13.2182 13.2742 13.9279 14.0419 14.3603 14.4897 16.8583 17.0414 17.6773 17.7492 18.2426 18.2741 18.4580 18.6258 k = 0.1773 0.1023 0.2895 ( 4724 PWs) bands (ev): -55.8944 -55.8944 -52.8327 -52.8327 -28.5467 -28.5438 -25.8120 -25.7651 -25.3868 -25.3858 -25.3311 -25.2855 -17.0221 -17.0182 -17.0084 -17.0081 4.5229 4.5390 9.9431 9.9488 10.5812 10.5827 11.3309 11.3966 12.4556 12.5145 12.8792 12.9748 13.2413 13.3062 13.9356 14.0472 14.3775 14.5048 16.9192 17.0891 17.6676 17.7362 18.1717 18.2111 18.5178 18.6634 k = 0.1705 0.0984 0.2784 ( 4724 PWs) bands (ev): -55.8945 -55.8945 -52.8327 -52.8326 -28.5467 -28.5441 -25.8064 -25.7630 -25.3866 -25.3857 -25.3329 -25.2907 -17.0215 -17.0180 -17.0085 -17.0083 4.4711 4.4855 9.9942 10.0046 10.5945 10.5959 11.3522 11.4170 12.4405 12.5067 12.8560 12.9520 13.2700 13.3413 13.9466 14.0558 14.3943 14.5194 16.9786 17.1357 17.6583 17.7232 18.0972 18.1413 18.5740 18.6963 k = 0.1636 0.0945 0.2672 ( 4733 PWs) bands (ev): -55.8946 -55.8946 -52.8326 -52.8326 -28.5467 -28.5443 -25.8008 -25.7608 -25.3864 -25.3855 -25.3349 -25.2961 -17.0209 -17.0178 -17.0087 -17.0085 4.4195 4.4324 10.0477 10.0627 10.6104 10.6117 11.3696 11.4328 12.4258 12.4978 12.8313 12.9274 13.3042 13.3796 13.9610 14.0680 14.4106 14.5334 17.0363 17.1810 17.6494 17.7103 18.0212 18.0672 18.6255 18.7241 k = 0.1568 0.0905 0.2561 ( 4725 PWs) bands (ev): -55.8947 -55.8947 -52.8325 -52.8325 -28.5467 -28.5445 -25.7951 -25.7584 -25.3862 -25.3853 -25.3369 -25.3014 -17.0203 -17.0175 -17.0088 -17.0087 4.3683 4.3798 10.1033 10.1228 10.6288 10.6299 11.3831 11.4442 12.4115 12.4876 12.8051 12.9008 13.3440 13.4211 13.9788 14.0836 14.4265 14.5466 17.0921 17.2249 17.6411 17.6974 17.9452 17.9908 18.6718 18.7468 k = 0.1500 0.0866 0.2449 ( 4719 PWs) bands (ev): -55.8947 -55.8947 -52.8324 -52.8324 -28.5467 -28.5447 -25.7893 -25.7560 -25.3860 -25.3852 -25.3391 -25.3068 -17.0197 -17.0172 -17.0090 -17.0089 4.3179 4.3280 10.1604 10.1843 10.6497 10.6507 11.3931 11.4515 12.3974 12.4762 12.7774 12.8724 13.3891 13.4660 14.0000 14.1027 14.4419 14.5591 17.1458 17.2670 17.6336 17.6841 17.8710 17.9137 18.7122 18.7642 k = 0.1432 0.0827 0.2338 ( 4727 PWs) bands (ev): -55.8948 -55.8948 -52.8323 -52.8323 -28.5467 -28.5450 -25.7837 -25.7535 -25.3858 -25.3850 -25.3413 -25.3122 -17.0191 -17.0169 -17.0091 -17.0091 4.2684 4.2773 10.2187 10.2467 10.6731 10.6739 11.3997 11.4550 12.3832 12.4635 12.7481 12.8423 13.4393 13.5141 14.0244 14.1251 14.4569 14.5709 17.1972 17.3073 17.6268 17.6690 17.8012 17.8373 18.7462 18.7763 k = 0.1364 0.0787 0.2227 ( 4733 PWs) bands (ev): -55.8949 -55.8949 -52.8322 -52.8322 -28.5467 -28.5452 -25.7780 -25.7510 -25.3856 -25.3849 -25.3437 -25.3176 -17.0185 -17.0166 -17.0093 -17.0093 4.2199 4.2277 10.2777 10.3095 10.6990 10.6996 11.4033 11.4552 12.3690 12.4495 12.7174 12.8104 13.4943 13.5654 14.0518 14.1508 14.4713 14.5819 17.2461 17.3453 17.6202 17.6472 17.7418 17.7634 18.7735 18.7830 k = 0.1295 0.0748 0.2115 ( 4733 PWs) bands (ev): -55.8950 -55.8950 -52.8321 -52.8321 -28.5467 -28.5454 -25.7723 -25.7483 -25.3854 -25.3848 -25.3461 -25.3228 -17.0180 -17.0163 -17.0095 -17.0095 4.1728 4.1795 10.3370 10.3721 10.7273 10.7279 11.4044 11.4526 12.3545 12.4342 12.6853 12.7769 13.5536 13.6198 14.0821 14.1794 14.4853 14.5920 17.2920 17.3801 17.6099 17.6118 17.6952 17.7030 18.7842 18.7936 k = 0.1227 0.0709 0.2004 ( 4737 PWs) bands (ev): -55.8951 -55.8951 -52.8320 -52.8320 -28.5468 -28.5456 -25.7668 -25.7456 -25.3852 -25.3847 -25.3486 -25.3281 -17.0174 -17.0160 -17.0097 -17.0097 4.1271 4.1328 10.3960 10.4339 10.7581 10.7589 11.4035 11.4477 12.3396 12.4177 12.6517 12.7417 13.6167 13.6771 14.1150 14.2105 14.4987 14.6014 17.3342 17.4093 17.5609 17.5900 17.6458 17.6840 18.7801 18.8065 k = 0.1159 0.0669 0.1893 ( 4729 PWs) bands (ev): -55.8952 -55.8952 -52.8320 -52.8319 -28.5468 -28.5458 -25.7613 -25.7428 -25.3850 -25.3845 -25.3511 -25.3332 -17.0169 -17.0156 -17.0099 -17.0099 4.0831 4.0879 10.4542 10.4943 10.7914 10.7926 11.4010 11.4409 12.3241 12.4002 12.6169 12.7050 13.6832 13.7371 14.1500 14.2438 14.5116 14.6099 17.3700 17.4228 17.5212 17.5433 17.6300 17.6744 18.7705 18.8118 k = 0.1091 0.0630 0.1781 ( 4733 PWs) bands (ev): -55.8952 -55.8952 -52.8319 -52.8319 -28.5468 -28.5460 -25.7560 -25.7400 -25.3848 -25.3844 -25.3537 -25.3383 -17.0164 -17.0153 -17.0101 -17.0101 4.0408 4.0448 10.5113 10.5526 10.8270 10.8291 11.3973 11.4328 12.3081 12.3816 12.5808 12.6669 13.7525 13.7995 14.1868 14.2788 14.5240 14.6176 17.3897 17.3997 17.5024 17.5171 17.6273 17.6693 18.7556 18.8095 k = 0.1023 0.0590 0.1670 ( 4731 PWs) bands (ev): -55.8953 -55.8953 -52.8318 -52.8318 -28.5468 -28.5461 -25.7508 -25.7372 -25.3847 -25.3843 -25.3563 -25.3431 -17.0158 -17.0150 -17.0103 -17.0103 4.0004 4.0038 10.5667 10.6082 10.8650 10.8684 11.3931 11.4239 12.2915 12.3621 12.5436 12.6275 13.8241 13.8641 14.2249 14.3150 14.5359 14.6245 17.3542 17.3721 17.4980 17.5362 17.6286 17.6671 18.7356 18.7993 k = 0.0955 0.0551 0.1559 ( 4731 PWs) bands (ev): -55.8954 -55.8954 -52.8317 -52.8317 -28.5469 -28.5463 -25.7458 -25.7344 -25.3845 -25.3842 -25.3589 -25.3479 -17.0154 -17.0147 -17.0105 -17.0104 3.9621 3.9648 10.6201 10.6606 10.9052 10.9105 11.3885 11.4145 12.2744 12.3419 12.5055 12.5870 13.8973 13.9304 14.2639 14.3519 14.5473 14.6306 17.3055 17.3289 17.5202 17.5601 17.6325 17.6673 18.7105 18.7812 k = 0.0886 0.0512 0.1447 ( 4735 PWs) bands (ev): -55.8954 -55.8954 -52.8317 -52.8317 -28.5469 -28.5464 -25.7410 -25.7316 -25.3843 -25.3841 -25.3615 -25.3524 -17.0149 -17.0144 -17.0106 -17.0106 3.9259 3.9281 10.6709 10.7094 10.9472 10.9549 11.3842 11.4051 12.2568 12.3210 12.4666 12.5454 13.9714 13.9980 14.3032 14.3887 14.5582 14.6360 17.2588 17.2813 17.5484 17.5842 17.6384 17.6696 18.6806 18.7549 k = 0.0818 0.0472 0.1336 ( 4723 PWs) bands (ev): -55.8955 -55.8955 -52.8316 -52.8316 -28.5469 -28.5465 -25.7365 -25.7288 -25.3841 -25.3839 -25.3641 -25.3567 -17.0145 -17.0140 -17.0108 -17.0108 3.8920 3.8937 10.7190 10.7545 10.9909 11.0011 11.3805 11.3962 12.2388 12.2997 12.4272 12.5031 14.0459 14.0665 14.3424 14.4250 14.5687 14.6405 17.2155 17.2356 17.5768 17.6071 17.6463 17.6739 18.6463 18.7206 k = 0.0750 0.0433 0.1225 ( 4715 PWs) bands (ev): -55.8956 -55.8956 -52.8315 -52.8315 -28.5469 -28.5466 -25.7322 -25.7261 -25.3840 -25.3838 -25.3666 -25.3607 -17.0141 -17.0137 -17.0110 -17.0109 3.8604 3.8618 10.7642 10.7957 11.0355 11.0486 11.3777 11.3880 12.2205 12.2781 12.3876 12.4603 14.1201 14.1352 14.3808 14.4601 14.5788 14.6443 17.1762 17.1934 17.6038 17.6284 17.6561 17.6801 18.6081 18.6790 k = 0.0682 0.0394 0.1113 ( 4715 PWs) bands (ev): -55.8956 -55.8956 -52.8315 -52.8315 -28.5470 -28.5467 -25.7282 -25.7235 -25.3839 -25.3837 -25.3690 -25.3645 -17.0137 -17.0135 -17.0111 -17.0111 3.8313 3.8324 10.8061 10.8332 11.0807 11.0963 11.3761 11.3811 12.2023 12.2564 12.3480 12.4173 14.1931 14.2035 14.4180 14.4934 14.5884 14.6474 17.1411 17.1553 17.6287 17.6480 17.6675 17.6880 18.5667 18.6310 k = 0.0614 0.0354 0.1002 ( 4709 PWs) bands (ev): -55.8957 -55.8957 -52.8314 -52.8314 -28.5470 -28.5468 -25.7245 -25.7210 -25.3837 -25.3836 -25.3714 -25.3680 -17.0134 -17.0132 -17.0112 -17.0112 3.8048 3.8055 10.8445 10.8670 11.1258 11.1435 11.3757 11.3758 12.1842 12.2347 12.3089 12.3744 14.2640 14.2705 14.4533 14.5245 14.5977 14.6498 17.1101 17.1214 17.6513 17.6659 17.6806 17.6974 18.5229 18.5784 k = 0.0545 0.0315 0.0891 ( 4711 PWs) bands (ev): -55.8957 -55.8957 -52.8314 -52.8314 -28.5470 -28.5469 -25.7211 -25.7186 -25.3836 -25.3836 -25.3736 -25.3712 -17.0131 -17.0129 -17.0114 -17.0114 3.7808 3.7813 10.8793 10.8970 11.1700 11.1892 11.3722 11.3771 12.1667 12.2134 12.2708 12.3321 14.3319 14.3354 14.4864 14.5528 14.6068 14.6515 17.0832 17.0918 17.6716 17.6823 17.6948 17.7080 18.4776 18.5228 k = 0.0477 0.0276 0.0779 ( 4707 PWs) bands (ev): -55.8958 -55.8958 -52.8313 -52.8313 -28.5470 -28.5470 -25.7181 -25.7164 -25.3835 -25.3835 -25.3756 -25.3740 -17.0128 -17.0127 -17.0115 -17.0115 3.7595 3.7599 10.9101 10.9233 11.2127 11.2328 11.3707 11.3797 12.1500 12.1926 12.2343 12.2908 14.3956 14.3971 14.5167 14.5779 14.6157 14.6527 17.0600 17.0662 17.6900 17.6976 17.7096 17.7190 18.4318 18.4664 k = 0.0409 0.0236 0.0668 ( 4687 PWs) bands (ev): -55.8958 -55.8958 -52.8313 -52.8313 -28.5470 -28.5470 -25.7155 -25.7144 -25.3834 -25.3834 -25.3775 -25.3764 -17.0126 -17.0125 -17.0116 -17.0116 3.7409 3.7411 10.9367 10.9458 11.2531 11.2732 11.3714 11.3834 12.1345 12.1728 12.2002 12.2512 14.4539 14.4544 14.5438 14.5993 14.6246 14.6536 17.0402 17.0445 17.7070 17.7120 17.7239 17.7300 18.3866 18.4109 k = 0.0341 0.0197 0.0557 ( 4683 PWs) bands (ev): -55.8958 -55.8958 -52.8312 -52.8312 -28.5470 -28.5470 -25.7133 -25.7127 -25.3833 -25.3833 -25.3791 -25.3785 -17.0124 -17.0123 -17.0117 -17.0117 3.7251 3.7252 10.9590 10.9646 11.2904 11.3095 11.3740 11.3878 12.1208 12.1542 12.1693 12.2140 14.5056 14.5060 14.5672 14.6165 14.6337 14.6544 17.0238 17.0264 17.7227 17.7258 17.7368 17.7402 18.3434 18.3588 k = 0.0273 0.0157 0.0445 ( 4671 PWs) bands (ev): -55.8958 -55.8958 -52.8312 -52.8312 -28.5470 -28.5470 -25.7115 -25.7112 -25.3833 -25.3833 -25.3805 -25.3802 -17.0122 -17.0122 -17.0118 -17.0118 3.7121 3.7122 10.9767 10.9798 11.3236 11.3409 11.3783 11.3922 12.1094 12.1374 12.1427 12.1801 14.5493 14.5504 14.5867 14.6287 14.6433 14.6560 17.0103 17.0117 17.7371 17.7387 17.7479 17.7494 18.3036 18.3120 k = 0.0205 0.0118 0.0334 ( 4679 PWs) bands (ev): -55.8959 -55.8959 -52.8312 -52.8312 -28.5471 -28.5471 -25.7101 -25.7100 -25.3832 -25.3832 -25.3816 -25.3815 -17.0121 -17.0120 -17.0118 -17.0118 3.7020 3.7020 10.9901 10.9914 11.3519 11.3662 11.3836 11.3960 12.1007 12.1215 12.1228 12.1506 14.5836 14.5861 14.6022 14.6349 14.6532 14.6596 16.9997 17.0003 17.7496 17.7503 17.7568 17.7570 18.2692 18.2729 k = 0.0136 0.0079 0.0223 ( 4679 PWs) bands (ev): -55.8959 -55.8959 -52.8312 -52.8312 -28.5471 -28.5471 -25.7091 -25.7091 -25.3832 -25.3832 -25.3825 -25.3824 -17.0120 -17.0120 -17.0119 -17.0119 3.6947 3.6947 10.9993 10.9997 11.3741 11.3843 11.3891 11.3984 12.0954 12.1068 12.1110 12.1265 14.6081 14.6115 14.6139 14.6358 14.6625 14.6649 16.9921 16.9923 17.7595 17.7596 17.7629 17.7631 18.2423 18.2434 k = 0.0068 0.0039 0.0111 ( 4681 PWs) bands (ev): -55.8959 -55.8959 -52.8312 -52.8312 -28.5471 -28.5471 -25.7085 -25.7085 -25.3832 -25.3832 -25.3830 -25.3830 -17.0119 -17.0119 -17.0119 -17.0119 3.6904 3.6904 11.0046 11.0047 11.3892 11.3939 11.3945 11.3989 12.0941 12.0991 12.1025 12.1088 14.6224 14.6233 14.6256 14.6335 14.6694 14.6697 16.9874 16.9874 17.7658 17.7659 17.7666 17.7669 18.2249 18.2251 k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -55.8959 -55.8959 -52.8312 -52.8312 -28.5472 -28.5472 -25.7083 -25.7083 -25.3832 -25.3832 -25.3832 -25.3832 -17.0119 -17.0119 -17.0119 -17.0119 3.6889 3.6889 11.0063 11.0063 11.3967 11.3967 11.3967 11.3967 12.0982 12.0982 12.0982 12.0982 14.6290 14.6290 14.6290 14.6290 14.6718 14.6718 16.9858 16.9858 17.7680 17.7680 17.7680 17.7680 18.2189 18.2189 k = 0.0000 0.0000 0.0000 ( 4693 PWs) bands (ev): -55.8959 -55.8959 -52.8312 -52.8312 -28.5472 -28.5472 -25.7083 -25.7083 -25.3832 -25.3832 -25.3832 -25.3832 -17.0119 -17.0119 -17.0119 -17.0119 3.6889 3.6889 11.0063 11.0063 11.3967 11.3967 11.3967 11.3967 12.0982 12.0982 12.0982 12.0982 14.6290 14.6290 14.6290 14.6290 14.6718 14.6718 16.9858 16.9858 17.7680 17.7680 17.7680 17.7680 18.2189 18.2189 k = 0.0111 0.0064 0.0045 ( 4684 PWs) bands (ev): -55.8959 -55.8959 -52.8312 -52.8312 -28.5471 -28.5471 -25.7085 -25.7085 -25.3832 -25.3832 -25.3830 -25.3830 -17.0119 -17.0119 -17.0119 -17.0119 3.6904 3.6904 11.0047 11.0047 11.3897 11.3943 11.3943 11.3982 12.0942 12.1007 12.1007 12.1089 14.6227 14.6241 14.6241 14.6339 14.6696 14.6696 16.9874 16.9874 17.7658 17.7658 17.7667 17.7669 18.2250 18.2250 k = 0.0222 0.0128 0.0091 ( 4672 PWs) bands (ev): -55.8959 -55.8959 -52.8312 -52.8312 -28.5471 -28.5471 -25.7091 -25.7091 -25.3832 -25.3832 -25.3824 -25.3824 -17.0120 -17.0120 -17.0119 -17.0119 3.6947 3.6947 10.9996 10.9996 11.3777 11.3869 11.3869 11.3941 12.0971 12.1083 12.1083 12.1260 14.6084 14.6084 14.6149 14.6373 14.6639 14.6639 16.9922 16.9922 17.7594 17.7594 17.7630 17.7634 18.2428 18.2428 k = 0.0333 0.0192 0.0136 ( 4672 PWs) bands (ev): -55.8959 -55.8959 -52.8312 -52.8312 -28.5471 -28.5471 -25.7100 -25.7100 -25.3832 -25.3832 -25.3816 -25.3816 -17.0121 -17.0121 -17.0118 -17.0118 3.7020 3.7020 10.9914 10.9914 11.3613 11.3748 11.3748 11.3847 12.1066 12.1207 12.1207 12.1487 14.5809 14.5809 14.6058 14.6394 14.6567 14.6567 17.0001 17.0001 17.7496 17.7496 17.7574 17.7574 18.2711 18.2711 k = 0.0444 0.0257 0.0181 ( 4672 PWs) bands (ev): -55.8958 -55.8958 -52.8312 -52.8312 -28.5470 -28.5470 -25.7113 -25.7113 -25.3833 -25.3833 -25.3803 -25.3803 -17.0122 -17.0122 -17.0117 -17.0117 3.7121 3.7121 10.9801 10.9801 11.3413 11.3582 11.3582 11.3704 12.1220 12.1374 12.1374 12.1761 14.5417 14.5417 14.5954 14.6401 14.6484 14.6484 17.0112 17.0112 17.7372 17.7372 17.7492 17.7501 18.3082 18.3082 k = 0.0556 0.0321 0.0227 ( 4678 PWs) bands (ev): -55.8958 -55.8958 -52.8312 -52.8312 -28.5470 -28.5470 -25.7130 -25.7130 -25.3833 -25.3833 -25.3788 -25.3788 -17.0124 -17.0124 -17.0116 -17.0116 3.7250 3.7250 10.9658 10.9658 11.3185 11.3374 11.3374 11.3521 12.1426 12.1580 12.1580 12.2074 14.4923 14.4923 14.5838 14.6390 14.6390 14.6396 17.0255 17.0255 17.7232 17.7232 17.7390 17.7414 18.3526 18.3526 k = 0.0667 0.0385 0.0272 ( 4690 PWs) bands (ev): -55.8958 -55.8958 -52.8313 -52.8313 -28.5470 -28.5470 -25.7149 -25.7149 -25.3834 -25.3834 -25.3770 -25.3770 -17.0126 -17.0126 -17.0115 -17.0115 3.7408 3.7408 10.9489 10.9489 11.2937 11.3129 11.3129 11.3307 12.1675 12.1819 12.1819 12.2419 14.4339 14.4339 14.5711 14.6284 14.6284 14.6379 17.0427 17.0427 17.7082 17.7082 17.7271 17.7318 18.4026 18.4026 k = 0.0778 0.0449 0.0318 ( 4696 PWs) bands (ev): -55.8958 -55.8958 -52.8313 -52.8313 -28.5470 -28.5470 -25.7172 -25.7172 -25.3835 -25.3835 -25.3748 -25.3748 -17.0128 -17.0128 -17.0114 -17.0114 3.7594 3.7594 10.9294 10.9294 11.2674 11.2849 11.2849 11.3068 12.1956 12.2087 12.2087 12.2788 14.3682 14.3682 14.5576 14.6167 14.6167 14.6353 17.0627 17.0627 17.6927 17.6927 17.7139 17.7214 18.4572 18.4572 k = 0.0889 0.0513 0.0363 ( 4711 PWs) bands (ev): -55.8957 -55.8957 -52.8314 -52.8314 -28.5470 -28.5470 -25.7198 -25.7198 -25.3836 -25.3836 -25.3724 -25.3724 -17.0131 -17.0131 -17.0113 -17.0113 3.7808 3.7808 10.9076 10.9076 11.2402 11.2538 11.2538 11.2812 12.2263 12.2377 12.2377 12.3173 14.2965 14.2965 14.5434 14.6040 14.6040 14.6320 17.0854 17.0854 17.6771 17.6771 17.6997 17.7107 18.5153 18.5153 k = 0.1000 0.0577 0.0408 ( 4705 PWs) bands (ev): -55.8957 -55.8957 -52.8314 -52.8314 -28.5469 -28.5469 -25.7226 -25.7226 -25.3837 -25.3837 -25.3697 -25.3697 -17.0134 -17.0134 -17.0111 -17.0111 3.8048 3.8048 10.8834 10.8834 11.2125 11.2201 11.2201 11.2544 12.2588 12.2686 12.2686 12.3570 14.2200 14.2200 14.5288 14.5904 14.5904 14.6280 17.1102 17.1102 17.6617 17.6617 17.6848 17.6997 18.5765 18.5765 k = 0.1111 0.0642 0.0454 ( 4717 PWs) bands (ev): -55.8956 -55.8956 -52.8315 -52.8315 -28.5469 -28.5469 -25.7257 -25.7257 -25.3838 -25.3838 -25.3668 -25.3668 -17.0137 -17.0137 -17.0110 -17.0110 3.8314 3.8314 10.8570 10.8570 11.1842 11.1842 11.1847 11.2270 12.2925 12.3008 12.3008 12.3973 14.1401 14.1401 14.5140 14.5763 14.5763 14.6237 17.1370 17.1370 17.6466 17.6466 17.6693 17.6887 18.6403 18.6403 k = 0.1222 0.0706 0.0499 ( 4717 PWs) bands (ev): -55.8956 -55.8956 -52.8315 -52.8315 -28.5468 -28.5468 -25.7290 -25.7290 -25.3839 -25.3839 -25.3637 -25.3637 -17.0141 -17.0141 -17.0108 -17.0108 3.8607 3.8607 10.8281 10.8281 11.1466 11.1466 11.1570 11.1994 12.3267 12.3338 12.3338 12.4378 14.0580 14.0580 14.4994 14.5620 14.5620 14.6193 17.1651 17.1651 17.6320 17.6320 17.6537 17.6779 18.7066 18.7066 k = 0.1333 0.0770 0.0544 ( 4723 PWs) bands (ev): -55.8955 -55.8955 -52.8316 -52.8316 -28.5467 -28.5467 -25.7325 -25.7325 -25.3841 -25.3840 -25.3605 -25.3605 -17.0144 -17.0144 -17.0106 -17.0106 3.8924 3.8924 10.7966 10.7966 11.1081 11.1081 11.1297 11.1718 12.3611 12.3673 12.3673 12.4779 13.9745 13.9745 14.4851 14.5476 14.5476 14.6151 17.1943 17.1943 17.6180 17.6180 17.6379 17.6673 18.7750 18.7750 k = 0.1444 0.0834 0.0590 ( 4729 PWs) bands (ev): -55.8954 -55.8954 -52.8316 -52.8316 -28.5467 -28.5467 -25.7361 -25.7361 -25.3842 -25.3842 -25.3571 -25.3571 -17.0149 -17.0149 -17.0104 -17.0104 3.9266 3.9266 10.7621 10.7621 11.0691 11.0691 11.1030 11.1445 12.3950 12.4008 12.4008 12.5172 13.8907 13.8907 14.4716 14.5336 14.5336 14.6112 17.2239 17.2239 17.6047 17.6047 17.6222 17.6570 18.8455 18.8455 k = 0.1556 0.0898 0.0635 ( 4732 PWs) bands (ev): -55.8954 -55.8954 -52.8317 -52.8317 -28.5466 -28.5466 -25.7399 -25.7399 -25.3844 -25.3843 -25.3535 -25.3535 -17.0153 -17.0153 -17.0102 -17.0102 3.9631 3.9631 10.7242 10.7242 11.0306 11.0306 11.0769 11.1178 12.4282 12.4339 12.4339 12.5553 13.8074 13.8074 14.4592 14.5203 14.5203 14.6080 17.2533 17.2533 17.5922 17.5922 17.6067 17.6471 18.9180 18.9180 k = 0.1667 0.0962 0.0680 ( 4729 PWs) bands (ev): -55.8953 -55.8953 -52.8318 -52.8318 -28.5465 -28.5465 -25.7438 -25.7438 -25.3845 -25.3845 -25.3499 -25.3499 -17.0157 -17.0157 -17.0099 -17.0099 4.0018 4.0018 10.6826 10.6826 10.9932 10.9932 11.0517 11.0917 12.4603 12.4662 12.4662 12.5919 13.7253 13.7253 14.4483 14.5080 14.5080 14.6058 17.2821 17.2821 17.5806 17.5806 17.5914 17.6375 18.9923 18.9923 k = 0.1778 0.1026 0.0726 ( 4723 PWs) bands (ev): -55.8952 -55.8952 -52.8319 -52.8319 -28.5464 -28.5464 -25.7477 -25.7477 -25.3846 -25.3846 -25.3461 -25.3461 -17.0162 -17.0162 -17.0097 -17.0097 4.0427 4.0427 10.6368 10.6368 10.9575 10.9575 11.0274 11.0665 12.4909 12.4974 12.4974 12.6264 13.6451 13.6451 14.4392 14.4971 14.4971 14.6048 17.3094 17.3094 17.5701 17.5701 17.5765 17.6283 19.0682 19.0682 k = 0.1889 0.1091 0.0771 ( 4738 PWs) bands (ev): -55.8952 -55.8952 -52.8319 -52.8319 -28.5463 -28.5463 -25.7518 -25.7518 -25.3848 -25.3848 -25.3424 -25.3424 -17.0167 -17.0167 -17.0094 -17.0094 4.0856 4.0856 10.5868 10.5868 10.9241 10.9241 11.0041 11.0422 12.5197 12.5270 12.5270 12.6586 13.5673 13.5673 14.4323 14.4879 14.4879 14.6052 17.3345 17.3345 17.5610 17.5610 17.5619 17.6195 19.1456 19.1456 k = 0.2000 0.1155 0.0816 ( 4744 PWs) bands (ev): -55.8951 -55.8951 -52.8320 -52.8320 -28.5462 -28.5462 -25.7558 -25.7558 -25.3850 -25.3850 -25.3386 -25.3386 -17.0171 -17.0171 -17.0092 -17.0092 4.1304 4.1304 10.5325 10.5325 10.8931 10.8932 10.9819 11.0189 12.5464 12.5548 12.5548 12.6880 13.4924 13.4924 14.4280 14.4808 14.4808 14.6074 17.3566 17.3566 17.5479 17.5536 17.5536 17.6111 19.2241 19.2241 k = 0.2111 0.1219 0.0862 ( 4729 PWs) bands (ev): -55.8950 -55.8950 -52.8321 -52.8321 -28.5461 -28.5461 -25.7599 -25.7599 -25.3851 -25.3851 -25.3347 -25.3347 -17.0176 -17.0176 -17.0089 -17.0089 4.1770 4.1770 10.4742 10.4742 10.8648 10.8648 10.9608 10.9967 12.5709 12.5805 12.5805 12.7144 13.4208 13.4208 14.4266 14.4761 14.4761 14.6115 17.3746 17.3746 17.5342 17.5483 17.5483 17.6030 19.3036 19.3036 k = 0.2222 0.1283 0.0907 ( 4735 PWs) bands (ev): -55.8949 -55.8949 -52.8322 -52.8322 -28.5460 -28.5460 -25.7640 -25.7640 -25.3853 -25.3853 -25.3310 -25.3310 -17.0181 -17.0181 -17.0086 -17.0086 4.2252 4.2252 10.4122 10.4122 10.8389 10.8389 10.9408 10.9755 12.5929 12.6037 12.6037 12.7375 13.3528 13.3528 14.4282 14.4740 14.4740 14.6177 17.3877 17.3877 17.5211 17.5455 17.5455 17.5951 19.3835 19.3835 k = 0.2333 0.1347 0.0953 ( 4735 PWs) bands (ev): -55.8948 -55.8948 -52.8323 -52.8323 -28.5459 -28.5459 -25.7681 -25.7681 -25.3855 -25.3854 -25.3272 -25.3272 -17.0186 -17.0186 -17.0083 -17.0083 4.2749 4.2749 10.3470 10.3470 10.8153 10.8153 10.9220 10.9555 12.6123 12.6242 12.6242 12.7570 13.2887 13.2887 14.4332 14.4748 14.4748 14.6260 17.3955 17.3955 17.5084 17.5451 17.5451 17.5876 19.4629 19.4629 k = 0.2444 0.1411 0.0998 ( 4735 PWs) bands (ev): -55.8948 -55.8948 -52.8324 -52.8324 -28.5458 -28.5458 -25.7721 -25.7721 -25.3857 -25.3856 -25.3234 -25.3234 -17.0191 -17.0191 -17.0081 -17.0081 4.3258 4.3258 10.2792 10.2792 10.7938 10.7938 10.9043 10.9366 12.6291 12.6418 12.6418 12.7730 13.2287 13.2287 14.4417 14.4787 14.4787 14.6366 17.3980 17.3980 17.4963 17.5465 17.5465 17.5802 19.5395 19.5395 k = 0.2556 0.1475 0.1043 ( 4729 PWs) bands (ev): -55.8947 -55.8947 -52.8324 -52.8324 -28.5457 -28.5457 -25.7761 -25.7761 -25.3858 -25.3858 -25.3197 -25.3197 -17.0196 -17.0196 -17.0078 -17.0078 4.3779 4.3779 10.2091 10.2091 10.7742 10.7742 10.8878 10.9189 12.6431 12.6564 12.6564 12.7853 13.1729 13.1729 14.4537 14.4856 14.4856 14.6495 17.3960 17.3960 17.4847 17.5482 17.5482 17.5731 19.6035 19.6035 k = 0.2667 0.1540 0.1089 ( 4723 PWs) bands (ev): -55.8946 -55.8946 -52.8325 -52.8325 -28.5455 -28.5455 -25.7800 -25.7800 -25.3860 -25.3859 -25.3160 -25.3160 -17.0201 -17.0201 -17.0075 -17.0075 4.4310 4.4310 10.1374 10.1374 10.7565 10.7565 10.8725 10.9024 12.6544 12.6679 12.6679 12.7940 13.1214 13.1214 14.4691 14.4958 14.4958 14.6647 17.3904 17.3904 17.4736 17.5488 17.5488 17.5660 19.6073 19.6073 k = 0.2778 0.1604 0.1134 ( 4717 PWs) bands (ev): -55.8945 -55.8945 -52.8326 -52.8326 -28.5454 -28.5454 -25.7838 -25.7838 -25.3861 -25.3861 -25.3125 -25.3125 -17.0206 -17.0206 -17.0072 -17.0072 4.4847 4.4847 10.0644 10.0644 10.7403 10.7403 10.8584 10.8870 12.6631 12.6763 12.6763 12.7991 13.0744 13.0744 14.4878 14.5091 14.5091 14.6819 17.3822 17.3822 17.4631 17.5469 17.5469 17.5590 19.5392 19.5392 k = 0.2889 0.1668 0.1179 ( 4720 PWs) bands (ev): -55.8944 -55.8944 -52.8327 -52.8327 -28.5453 -28.5453 -25.7875 -25.7875 -25.3863 -25.3863 -25.3090 -25.3090 -17.0211 -17.0211 -17.0070 -17.0070 4.5390 4.5390 9.9907 9.9907 10.7256 10.7256 10.8454 10.8727 12.6693 12.6816 12.6816 12.8010 13.0317 13.0317 14.5097 14.5254 14.5254 14.7011 17.3718 17.3718 17.4532 17.5414 17.5414 17.5521 19.4529 19.4529 k = 0.3000 0.1732 0.1225 ( 4720 PWs) bands (ev): -55.8944 -55.8944 -52.8328 -52.8328 -28.5452 -28.5452 -25.7911 -25.7911 -25.3865 -25.3864 -25.3057 -25.3057 -17.0216 -17.0216 -17.0067 -17.0067 4.5935 4.5935 9.9167 9.9167 10.7123 10.7123 10.8335 10.8596 12.6733 12.6840 12.6840 12.7998 12.9933 12.9933 14.5343 14.5445 14.5445 14.7219 17.3595 17.3595 17.4438 17.5316 17.5316 17.5451 19.3646 19.3646 k = 0.3111 0.1796 0.1270 ( 4720 PWs) bands (ev): -55.8943 -55.8943 -52.8329 -52.8329 -28.5451 -28.5451 -25.7946 -25.7946 -25.3866 -25.3866 -25.3025 -25.3025 -17.0221 -17.0221 -17.0064 -17.0064 4.6480 4.6480 9.8429 9.8429 10.7002 10.7002 10.8228 10.8475 12.6751 12.6836 12.6836 12.7960 12.9593 12.9593 14.5614 14.5662 14.5662 14.7443 17.3455 17.3455 17.4350 17.5172 17.5172 17.5381 19.2792 19.2792 k = 0.3222 0.1860 0.1315 ( 4720 PWs) bands (ev): -55.8942 -55.8942 -52.8329 -52.8329 -28.5450 -28.5450 -25.7979 -25.7979 -25.3868 -25.3867 -25.2994 -25.2994 -17.0225 -17.0225 -17.0062 -17.0062 4.7022 4.7022 9.7697 9.7697 10.6894 10.6894 10.8130 10.8364 12.6750 12.6807 12.6807 12.7897 12.9293 12.9293 14.5901 14.5901 14.5906 14.7677 17.3295 17.3295 17.4269 17.4982 17.4982 17.5310 19.1994 19.1994 k = 0.3333 0.1925 0.1361 ( 4729 PWs) bands (ev): -55.8941 -55.8941 -52.8330 -52.8330 -28.5450 -28.5450 -25.8011 -25.8011 -25.3869 -25.3869 -25.2965 -25.2965 -17.0230 -17.0230 -17.0059 -17.0059 4.7559 4.7559 9.6976 9.6976 10.6796 10.6796 10.8043 10.8264 12.6734 12.6757 12.6757 12.7815 12.9032 12.9032 14.6158 14.6158 14.6214 14.7920 17.3113 17.3113 17.4194 17.4751 17.4751 17.5238 19.1268 19.1268 k = 0.3444 0.1989 0.1406 ( 4705 PWs) bands (ev): -55.8941 -55.8941 -52.8331 -52.8331 -28.5448 -28.5448 -25.8041 -25.8041 -25.3870 -25.3870 -25.2936 -25.2936 -17.0234 -17.0234 -17.0057 -17.0057 4.8087 4.8087 9.6271 9.6271 10.6709 10.6709 10.7965 10.8173 12.6689 12.6689 12.6704 12.7716 12.8807 12.8807 14.6430 14.6430 14.6535 14.8166 17.2903 17.2903 17.4127 17.4491 17.4491 17.5164 19.0621 19.0621 k = 0.3556 0.2053 0.1452 ( 4705 PWs) bands (ev): -55.8940 -55.8940 -52.8332 -52.8332 -28.5447 -28.5447 -25.8070 -25.8070 -25.3872 -25.3871 -25.2910 -25.2910 -17.0238 -17.0238 -17.0055 -17.0054 4.8603 4.8603 9.5585 9.5585 10.6631 10.6631 10.7897 10.8091 12.6608 12.6608 12.6663 12.7604 12.8615 12.8615 14.6712 14.6712 14.6863 14.8413 17.2655 17.2655 17.4066 17.4218 17.4218 17.5089 19.0056 19.0056 k = 0.3667 0.2117 0.1497 ( 4705 PWs) bands (ev): -55.8940 -55.8940 -52.8332 -52.8332 -28.5446 -28.5446 -25.8096 -25.8096 -25.3873 -25.3872 -25.2885 -25.2885 -17.0241 -17.0241 -17.0052 -17.0052 4.9103 4.9103 9.4924 9.4924 10.6562 10.6563 10.7837 10.8017 12.6517 12.6517 12.6615 12.7484 12.8452 12.8452 14.6999 14.6999 14.7194 14.8657 17.2364 17.2364 17.3950 17.3950 17.4013 17.5012 18.9572 18.9572 k = 0.3778 0.2181 0.1542 ( 4705 PWs) bands (ev): -55.8939 -55.8939 -52.8333 -52.8333 -28.5446 -28.5446 -25.8121 -25.8121 -25.3874 -25.3874 -25.2862 -25.2862 -17.0245 -17.0245 -17.0050 -17.0050 4.9584 4.9584 9.4293 9.4293 10.6502 10.6502 10.7786 10.7951 12.6422 12.6422 12.6562 12.7357 12.8315 12.8315 14.7286 14.7286 14.7524 14.8892 17.2026 17.2026 17.3702 17.3702 17.3969 17.4933 18.9164 18.9164 k = 0.3889 0.2245 0.1588 ( 4702 PWs) bands (ev): -55.8938 -55.8938 -52.8333 -52.8333 -28.5445 -28.5445 -25.8144 -25.8144 -25.3875 -25.3875 -25.2841 -25.2841 -17.0248 -17.0248 -17.0048 -17.0048 5.0042 5.0042 9.3695 9.3695 10.6449 10.6449 10.7741 10.7893 12.6326 12.6326 12.6507 12.7228 12.8201 12.8201 14.7570 14.7570 14.7848 14.9116 17.1649 17.1649 17.3481 17.3481 17.3933 17.4853 18.8825 18.8825 k = 0.4000 0.2309 0.1633 ( 4702 PWs) bands (ev): -55.8938 -55.8938 -52.8334 -52.8334 -28.5444 -28.5444 -25.8165 -25.8165 -25.3876 -25.3876 -25.2822 -25.2822 -17.0251 -17.0251 -17.0047 -17.0047 5.0473 5.0473 9.3136 9.3136 10.6403 10.6403 10.7704 10.7842 12.6232 12.6232 12.6452 12.7100 12.8105 12.8105 14.7845 14.7845 14.8163 14.9325 17.1246 17.1246 17.3290 17.3290 17.3905 17.4771 18.8546 18.8546 k = 0.4111 0.2374 0.1678 ( 4702 PWs) bands (ev): -55.8937 -55.8937 -52.8334 -52.8334 -28.5443 -28.5443 -25.8184 -25.8184 -25.3877 -25.3877 -25.2804 -25.2804 -17.0254 -17.0254 -17.0045 -17.0045 5.0872 5.0872 9.2620 9.2620 10.6364 10.6364 10.7674 10.7796 12.6142 12.6142 12.6400 12.6974 12.8027 12.8027 14.8106 14.8106 14.8465 14.9515 17.0836 17.0836 17.3124 17.3124 17.3887 17.4689 18.8320 18.8320 k = 0.4222 0.2438 0.1724 ( 4705 PWs) bands (ev): -55.8937 -55.8937 -52.8335 -52.8335 -28.5443 -28.5443 -25.8201 -25.8201 -25.3878 -25.3878 -25.2789 -25.2789 -17.0256 -17.0256 -17.0044 -17.0044 5.1237 5.1237 9.2152 9.2152 10.6331 10.6331 10.7649 10.7757 12.6059 12.6059 12.6352 12.6853 12.7963 12.7963 14.8349 14.8349 14.8749 14.9682 17.0435 17.0435 17.2981 17.2981 17.3879 17.4606 18.8139 18.8139 k = 0.4333 0.2502 0.1769 ( 4705 PWs) bands (ev): -55.8937 -55.8937 -52.8335 -52.8335 -28.5442 -28.5442 -25.8216 -25.8216 -25.3878 -25.3878 -25.2775 -25.2775 -17.0258 -17.0258 -17.0043 -17.0043 5.1563 5.1563 9.1736 9.1736 10.6303 10.6303 10.7630 10.7723 12.5984 12.5984 12.6312 12.6740 12.7913 12.7913 14.8570 14.8570 14.9014 14.9824 17.0059 17.0059 17.2859 17.2859 17.3880 17.4523 18.7996 18.7996 k = 0.4444 0.2566 0.1814 ( 4705 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5442 -28.5442 -25.8229 -25.8229 -25.3879 -25.3879 -25.2764 -25.2764 -17.0260 -17.0260 -17.0042 -17.0042 5.1846 5.1846 9.1376 9.1376 10.6280 10.6280 10.7616 10.7694 12.5919 12.5919 12.6280 12.6636 12.7873 12.7873 14.8764 14.8764 14.9254 14.9937 16.9721 16.9721 17.2755 17.2755 17.3890 17.4441 18.7884 18.7884 k = 0.4556 0.2630 0.1860 ( 4699 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5442 -28.5442 -25.8239 -25.8239 -25.3879 -25.3879 -25.2754 -25.2754 -17.0261 -17.0261 -17.0041 -17.0041 5.2083 5.2083 9.1076 9.1076 10.6262 10.6262 10.7607 10.7669 12.5864 12.5864 12.6258 12.6542 12.7843 12.7843 14.8928 14.8928 14.9468 15.0020 16.9431 16.9431 17.2670 17.2670 17.3911 17.4362 18.7800 18.7800 k = 0.4667 0.2694 0.1905 ( 4708 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5442 -28.5442 -25.8247 -25.8247 -25.3880 -25.3880 -25.2747 -25.2747 -17.0263 -17.0263 -17.0040 -17.0040 5.2270 5.2270 9.0839 9.0839 10.6248 10.6248 10.7601 10.7648 12.5820 12.5820 12.6247 12.6460 12.7821 12.7821 14.9060 14.9060 14.9653 15.0070 16.9196 16.9196 17.2604 17.2604 17.3941 17.4285 18.7738 18.7738 k = 0.4778 0.2758 0.1951 ( 4709 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5441 -28.5441 -25.8253 -25.8253 -25.3880 -25.3880 -25.2742 -25.2742 -17.0264 -17.0264 -17.0040 -17.0040 5.2406 5.2406 9.0667 9.0667 10.6239 10.6239 10.7600 10.7631 12.5789 12.5789 12.6249 12.6391 12.7806 12.7806 14.9156 14.9156 14.9808 15.0087 16.9025 16.9025 17.2556 17.2556 17.3980 17.4212 18.7696 18.7696 k = 0.4889 0.2823 0.1996 ( 4691 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5441 -28.5441 -25.8256 -25.8256 -25.3880 -25.3880 -25.2739 -25.2739 -17.0264 -17.0264 -17.0039 -17.0039 5.2488 5.2488 9.0564 9.0564 10.6233 10.6233 10.7602 10.7618 12.5769 12.5769 12.6264 12.6335 12.7798 12.7798 14.9214 14.9214 14.9929 15.0069 16.8920 16.8920 17.2527 17.2527 17.4027 17.4144 18.7671 18.7671 k = 0.5000 0.2887 0.2041 ( 4664 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5440 -28.5440 -25.8257 -25.8257 -25.3879 -25.3879 -25.2737 -25.2737 -17.0264 -17.0264 -17.0039 -17.0039 5.2516 5.2516 9.0529 9.0529 10.6231 10.6231 10.7609 10.7609 12.5763 12.5763 12.6293 12.6293 12.7795 12.7795 14.9233 14.9233 15.0017 15.0017 16.8885 16.8885 17.2517 17.2517 17.4082 17.4082 18.7663 18.7663 k = 0.5000 0.2887 0.2041 ( 4664 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5440 -28.5440 -25.8257 -25.8257 -25.3879 -25.3879 -25.2737 -25.2737 -17.0264 -17.0264 -17.0039 -17.0039 5.2516 5.2516 9.0529 9.0529 10.6231 10.6231 10.7609 10.7609 12.5763 12.5763 12.6293 12.6293 12.7795 12.7795 14.9233 14.9233 15.0017 15.0017 16.8885 16.8885 17.2517 17.2517 17.4082 17.4082 18.7663 18.7663 k = 0.5039 0.2774 0.2105 ( 4679 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5443 -28.5438 -25.8287 -25.8227 -25.3880 -25.3880 -25.2766 -25.2707 -17.0267 -17.0261 -17.0039 -17.0039 5.2502 5.2532 9.0528 9.0562 10.6215 10.6249 10.7609 10.7609 12.5767 12.5774 12.6304 12.6304 12.7775 12.7811 14.9189 14.9231 14.9994 14.9994 16.8856 16.8917 17.2331 17.2660 17.4057 17.4061 18.7630 18.7846 k = 0.5078 0.2661 0.2169 ( 4697 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5445 -28.5437 -25.8318 -25.8199 -25.3880 -25.3880 -25.2795 -25.2677 -17.0269 -17.0259 -17.0040 -17.0040 5.2490 5.2550 9.0558 9.0626 10.6202 10.6270 10.7610 10.7611 12.5784 12.5801 12.6337 12.6337 12.7753 12.7824 14.9098 14.9183 14.9925 14.9926 16.8832 16.8947 17.2099 17.2762 17.3978 17.4009 18.7747 18.8167 k = 0.5117 0.2548 0.2233 ( 4702 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5447 -28.5434 -25.8350 -25.8172 -25.3880 -25.3880 -25.2823 -25.2646 -17.0272 -17.0256 -17.0040 -17.0040 5.2480 5.2569 9.0619 9.0720 10.6189 10.6293 10.7612 10.7616 12.5815 12.5842 12.6391 12.6393 12.7730 12.7833 14.8960 14.9087 14.9813 14.9813 16.8814 16.8971 17.1823 17.2818 17.3855 17.3945 18.8007 18.8610 k = 0.5156 0.2436 0.2296 ( 4701 PWs) bands (ev): -55.8935 -55.8935 -52.8336 -52.8336 -28.5449 -28.5432 -25.8382 -25.8146 -25.3881 -25.3880 -25.2850 -25.2615 -17.0274 -17.0253 -17.0041 -17.0041 5.2472 5.2590 9.0713 9.0846 10.6176 10.6317 10.7617 10.7626 12.5857 12.5897 12.6467 12.6470 12.7707 12.7838 14.8776 14.8944 14.9658 14.9659 16.8802 16.8979 17.1513 17.2806 17.3722 17.3882 18.8395 18.9156 k = 0.5195 0.2323 0.2360 ( 4709 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5451 -28.5430 -25.8414 -25.8121 -25.3881 -25.3880 -25.2875 -25.2584 -17.0276 -17.0250 -17.0042 -17.0042 5.2466 5.2613 9.0838 9.1003 10.6161 10.6339 10.7626 10.7642 12.5906 12.5966 12.6563 12.6570 12.7686 12.7841 14.8546 14.8752 14.9463 14.9464 16.8795 16.8953 17.1195 17.2692 17.3628 17.3830 18.8887 18.9780 k = 0.5234 0.2210 0.2424 ( 4708 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5453 -28.5428 -25.8446 -25.8098 -25.3881 -25.3879 -25.2900 -25.2552 -17.0279 -17.0247 -17.0044 -17.0043 5.2463 5.2636 9.0995 9.1190 10.6141 10.6357 10.7642 10.7667 12.5960 12.6046 12.6680 12.6691 12.7672 12.7843 14.8269 14.8510 14.9232 14.9234 16.8792 16.8870 17.0904 17.2466 17.3600 17.3791 18.9456 19.0457 k = 0.5273 0.2097 0.2488 ( 4708 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5455 -28.5426 -25.8479 -25.8076 -25.3882 -25.3879 -25.2923 -25.2521 -17.0281 -17.0244 -17.0045 -17.0044 5.2461 5.2661 9.1184 9.1407 10.6115 10.6369 10.7668 10.7703 12.6011 12.6134 12.6816 12.6834 12.7670 12.7846 14.7947 14.8217 14.8965 14.8972 16.8699 16.8789 17.0680 17.2163 17.3623 17.3764 19.0067 19.1154 k = 0.5312 0.1985 0.2552 ( 4715 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5457 -28.5424 -25.8511 -25.8056 -25.3882 -25.3878 -25.2945 -25.2489 -17.0283 -17.0240 -17.0048 -17.0045 5.2462 5.2686 9.1405 9.1654 10.6081 10.6369 10.7707 10.7753 12.6053 12.6226 12.6970 12.6997 12.7686 12.7853 14.7579 14.7873 14.8666 14.8683 16.8427 16.8782 17.0547 17.1825 17.3673 17.3751 19.0675 19.1826 k = 0.5352 0.1872 0.2615 ( 4710 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5458 -28.5422 -25.8543 -25.8038 -25.3883 -25.3877 -25.2966 -25.2458 -17.0285 -17.0237 -17.0050 -17.0046 5.2465 5.2711 9.1658 9.1932 10.6037 10.6357 10.7762 10.7817 12.6076 12.6315 12.7141 12.7180 12.7728 12.7871 14.7168 14.7479 14.8338 14.8371 16.8069 16.8763 17.0501 17.1483 17.3738 17.3747 19.1211 19.2391 k = 0.5391 0.1759 0.2679 ( 4706 PWs) bands (ev): -55.8934 -55.8934 -52.8338 -52.8338 -28.5460 -28.5419 -25.8574 -25.8021 -25.3884 -25.3875 -25.2985 -25.2428 -17.0288 -17.0233 -17.0052 -17.0047 5.2470 5.2737 9.1943 9.2239 10.5982 10.6329 10.7835 10.7898 12.6073 12.6392 12.7326 12.7383 12.7803 12.7907 14.6715 14.7037 14.7985 14.8037 16.7655 16.8722 17.0517 17.1164 17.3752 17.3811 19.1567 19.2706 k = 0.5430 0.1646 0.2743 ( 4710 PWs) bands (ev): -55.8934 -55.8934 -52.8338 -52.8338 -28.5461 -28.5417 -25.8605 -25.8006 -25.3885 -25.3874 -25.3003 -25.2398 -17.0290 -17.0230 -17.0055 -17.0048 5.2477 5.2763 9.2260 9.2575 10.5917 10.6286 10.7927 10.7995 12.6039 12.6446 12.7523 12.7603 12.7915 12.7974 14.6222 14.6551 14.7609 14.7684 16.7213 16.8645 17.0574 17.0891 17.3764 17.3889 19.1596 19.2592 k = 0.5469 0.1534 0.2807 ( 4706 PWs) bands (ev): -55.8934 -55.8934 -52.8338 -52.8338 -28.5462 -28.5415 -25.8635 -25.7993 -25.3886 -25.3872 -25.3019 -25.2368 -17.0292 -17.0226 -17.0058 -17.0050 5.2485 5.2788 9.2608 9.2940 10.5841 10.6227 10.8038 10.8108 12.5970 12.6467 12.7727 12.7840 12.8066 12.8083 14.5694 14.6024 14.7212 14.7313 16.6762 16.8518 17.0657 17.0684 17.3782 17.3971 19.1209 19.2025 k = 0.5508 0.1421 0.2870 ( 4704 PWs) bands (ev): -55.8934 -55.8933 -52.8338 -52.8338 -28.5464 -28.5413 -25.8664 -25.7982 -25.3887 -25.3869 -25.3034 -25.2339 -17.0294 -17.0222 -17.0062 -17.0051 5.2495 5.2814 9.2986 9.3333 10.5756 10.6155 10.8167 10.8238 12.5868 12.6448 12.7935 12.8093 12.8240 12.8253 14.5132 14.5463 14.6797 14.6927 16.6314 16.8338 17.0553 17.0757 17.3803 17.4055 19.0474 19.1174 k = 0.5547 0.1308 0.2934 ( 4709 PWs) bands (ev): -55.8933 -55.8933 -52.8339 -52.8339 -28.5465 -28.5412 -25.8693 -25.7973 -25.3888 -25.3867 -25.3047 -25.2312 -17.0296 -17.0218 -17.0066 -17.0052 5.2506 5.2838 9.3395 9.3753 10.5661 10.6069 10.8313 10.8383 12.5734 12.6386 12.8146 12.8359 12.8445 12.8473 14.4541 14.4870 14.6367 14.6528 16.5879 16.8112 17.0493 17.0869 17.3827 17.4140 18.9534 19.0197 k = 0.5586 0.1195 0.2998 ( 4711 PWs) bands (ev): -55.8933 -55.8933 -52.8339 -52.8339 -28.5466 -28.5410 -25.8721 -25.7966 -25.3889 -25.3864 -25.3059 -25.2285 -17.0298 -17.0214 -17.0070 -17.0053 5.2518 5.2862 9.3834 9.4200 10.5559 10.5972 10.8474 10.8543 12.5571 12.6282 12.8368 12.8637 12.8684 12.8723 14.3925 14.4253 14.5923 14.6117 16.5462 16.7857 17.0492 17.0987 17.3853 17.4226 18.8496 18.9179 k = 0.5625 0.1083 0.3062 ( 4719 PWs) bands (ev): -55.8933 -55.8933 -52.8339 -52.8339 -28.5467 -28.5408 -25.8747 -25.7961 -25.3891 -25.3861 -25.3069 -25.2260 -17.0301 -17.0210 -17.0074 -17.0054 5.2532 5.2884 9.4302 9.4673 10.5451 10.5866 10.8651 10.8717 12.5380 12.6140 12.8604 12.8926 12.8947 12.8997 14.3289 14.3615 14.5469 14.5698 16.5070 16.7590 17.0534 17.1109 17.3878 17.4313 18.7423 18.8164 k = 0.5664 0.0970 0.3126 ( 4713 PWs) bands (ev): -55.8932 -55.8932 -52.8340 -52.8340 -28.5468 -28.5407 -25.8772 -25.7958 -25.3892 -25.3857 -25.3078 -25.2235 -17.0303 -17.0206 -17.0078 -17.0055 5.2545 5.2906 9.4797 9.5171 10.5336 10.5753 10.8840 10.8904 12.5163 12.5961 12.8854 12.9226 12.9227 12.9291 14.2636 14.2963 14.5007 14.5273 16.4706 16.7326 17.0606 17.1231 17.3901 17.4399 18.6350 18.7174 k = 0.5703 0.0857 0.3189 ( 4708 PWs) bands (ev): -55.8932 -55.8932 -52.8340 -52.8340 -28.5468 -28.5405 -25.8796 -25.7956 -25.3893 -25.3854 -25.3085 -25.2212 -17.0305 -17.0202 -17.0083 -17.0056 5.2560 5.2925 9.5319 9.5691 10.5217 10.5633 10.9042 10.9104 12.4920 12.5748 12.9118 12.9518 12.9537 12.9600 14.1971 14.2300 14.4538 14.4844 16.4374 16.7074 17.0699 17.1353 17.3922 17.4484 18.5297 18.6223 k = 0.5742 0.0744 0.3253 ( 4707 PWs) bands (ev): -55.8932 -55.8932 -52.8340 -52.8340 -28.5469 -28.5403 -25.8818 -25.7956 -25.3894 -25.3850 -25.3090 -25.2190 -17.0307 -17.0198 -17.0087 -17.0057 5.2574 5.2944 9.5864 9.6232 10.5095 10.5509 10.9256 10.9316 12.4653 12.5503 12.9392 12.9816 12.9857 12.9921 14.1299 14.1633 14.4067 14.4414 16.4076 16.6843 17.0807 17.1470 17.3937 17.4565 18.4276 18.5320 k = 0.5781 0.0631 0.3317 ( 4703 PWs) bands (ev): -55.8931 -55.8931 -52.8341 -52.8341 -28.5469 -28.5402 -25.8839 -25.7958 -25.3896 -25.3846 -25.3094 -25.2170 -17.0309 -17.0193 -17.0092 -17.0057 5.2588 5.2960 9.6433 9.6791 10.4969 10.5383 10.9480 10.9538 12.4363 12.5226 12.9673 13.0120 13.0179 13.0255 14.0625 14.0966 14.3595 14.3987 16.3817 16.6638 17.0924 17.1580 17.3946 17.4643 18.3296 18.4469 k = 0.5820 0.0519 0.3381 ( 4705 PWs) bands (ev): -55.8931 -55.8931 -52.8341 -52.8341 -28.5469 -28.5401 -25.8858 -25.7961 -25.3897 -25.3842 -25.3096 -25.2151 -17.0311 -17.0189 -17.0097 -17.0058 5.2601 5.2974 9.7020 9.7365 10.4842 10.5256 10.9715 10.9771 12.4052 12.4919 12.9958 13.0425 13.0497 13.0603 13.9953 14.0305 14.3125 14.3566 16.3599 16.6462 17.1046 17.1679 17.3946 17.4713 18.2364 18.3673 k = 0.5859 0.0406 0.3445 ( 4705 PWs) bands (ev): -55.8931 -55.8931 -52.8341 -52.8341 -28.5470 -28.5400 -25.8876 -25.7966 -25.3898 -25.3839 -25.3097 -25.2134 -17.0313 -17.0185 -17.0102 -17.0059 5.2614 5.2985 9.7624 9.7950 10.4715 10.5131 10.9958 11.0014 12.3723 12.4586 13.0243 13.0730 13.0808 13.0961 13.9288 13.9652 14.2661 14.3155 16.3423 16.6319 17.1168 17.1766 17.3935 17.4773 18.1483 18.2931 k = 0.5898 0.0293 0.3508 ( 4703 PWs) bands (ev): -55.8931 -55.8930 -52.8342 -52.8341 -28.5470 -28.5399 -25.8892 -25.7971 -25.3900 -25.3835 -25.3097 -25.2119 -17.0315 -17.0181 -17.0108 -17.0059 5.2625 5.2994 9.8238 9.8540 10.4590 10.5012 11.0211 11.0266 12.3377 12.4230 13.0526 13.1031 13.1109 13.1327 13.8635 13.9014 14.2207 14.2757 16.3292 16.6211 17.1286 17.1834 17.3909 17.4818 18.0658 18.2238 k = 0.5938 0.0180 0.3572 ( 4703 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8342 -28.5470 -28.5398 -25.8906 -25.7979 -25.3901 -25.3831 -25.3095 -25.2105 -17.0316 -17.0176 -17.0113 -17.0059 5.2634 5.3000 9.8858 9.9127 10.4469 10.4903 11.0471 11.0525 12.3020 12.3856 13.0801 13.1324 13.1394 13.1697 13.7998 13.8392 14.1767 14.2376 16.3208 16.6138 17.1395 17.1880 17.3866 17.4841 17.9892 18.1579 k = 0.5977 0.0068 0.3636 ( 4703 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8342 -28.5470 -28.5397 -25.8918 -25.7987 -25.3902 -25.3828 -25.3091 -25.2093 -17.0318 -17.0172 -17.0118 -17.0060 5.2641 5.3003 9.9472 9.9699 10.4359 10.4814 11.0739 11.0793 12.2656 12.3470 13.1064 13.1606 13.1656 13.2065 13.7385 13.7793 14.1345 14.2018 16.3171 16.6103 17.1489 17.1900 17.3800 17.4833 17.9187 18.0937 k = 0.6016-0.0045 0.3700 ( 4702 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8342 -28.5470 -28.5397 -25.8929 -25.7996 -25.3903 -25.3825 -25.3087 -25.2083 -17.0319 -17.0168 -17.0123 -17.0060 5.2645 5.3002 10.0068 10.0239 10.4269 10.4757 11.1013 11.1067 12.2292 12.3079 13.1310 13.1870 13.1888 13.2429 13.6802 13.7220 14.0948 14.1687 16.3181 16.6103 17.1559 17.1889 17.3703 17.4782 17.8548 18.0292 k = 0.6055-0.0158 0.3764 ( 4706 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8342 -28.5470 -28.5397 -25.8937 -25.8005 -25.3904 -25.3823 -25.3081 -25.2075 -17.0321 -17.0164 -17.0128 -17.0060 5.2647 5.2997 10.0621 10.0722 10.4215 10.4752 11.1293 11.1348 12.1935 12.2691 13.1533 13.2075 13.2110 13.2783 13.6259 13.6681 14.0584 14.1389 16.3239 16.6139 17.1593 17.1841 17.3565 17.4675 17.7980 17.9649 k = 0.6094-0.0271 0.3827 ( 4710 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5469 -28.5397 -25.8944 -25.8016 -25.3905 -25.3821 -25.3075 -25.2070 -17.0322 -17.0161 -17.0133 -17.0060 5.2644 5.2988 10.1097 10.1115 10.4229 10.4825 11.1578 11.1634 12.1594 12.2318 13.1721 13.2201 13.2321 13.3120 13.5772 13.6184 14.0259 14.1128 16.3342 16.6207 17.1573 17.1752 17.3373 17.4506 17.7493 17.9040 k = 0.6133-0.0383 0.3891 ( 4706 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5469 -28.5396 -25.8948 -25.8027 -25.3906 -25.3819 -25.3067 -25.2066 -17.0323 -17.0158 -17.0137 -17.0060 5.2637 5.2973 10.1387 10.1447 10.4349 10.5004 11.1868 11.1924 12.1278 12.1970 13.1861 13.2241 13.2496 13.3431 13.5360 13.5743 13.9985 14.0912 16.3488 16.6305 17.1474 17.1609 17.3123 17.4281 17.7098 17.8513 k = 0.6172-0.0496 0.3955 ( 4714 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5469 -28.5397 -25.8950 -25.8038 -25.3907 -25.3817 -25.3058 -25.2064 -17.0323 -17.0157 -17.0140 -17.0060 5.2625 5.2953 10.1520 10.1634 10.4607 10.5299 11.2161 11.2218 12.0998 12.1658 13.1930 13.2174 13.2631 13.3703 13.5049 13.5376 13.9771 14.0743 16.3673 16.6425 17.1264 17.1392 17.2829 17.4033 17.6802 17.8105 k = 0.6211-0.0609 0.4019 ( 4704 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5468 -28.5397 -25.8950 -25.8049 -25.3907 -25.3816 -25.3049 -25.2064 -17.0323 -17.0157 -17.0140 -17.0060 5.2607 5.2927 10.1520 10.1659 10.4994 10.5695 11.2457 11.2515 12.0763 12.1395 13.1905 13.1991 13.2726 13.3905 13.4867 13.5101 13.9626 14.0626 16.3893 16.6563 17.0919 17.1066 17.2539 17.3811 17.6604 17.7830 k = 0.6250-0.0722 0.4082 ( 4714 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5467 -28.5397 -25.8948 -25.8060 -25.3908 -25.3816 -25.3039 -25.2066 -17.0324 -17.0160 -17.0139 -17.0060 5.2583 5.2894 10.1413 10.1555 10.5470 10.6162 11.2755 11.2814 12.0584 12.1191 13.1703 13.1770 13.2785 13.3987 13.4842 13.4929 13.9556 14.0560 16.4139 16.6706 17.0441 17.0607 17.2305 17.3655 17.6495 17.7682 k = 0.6250-0.0722 0.4082 ( 4714 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5467 -28.5397 -25.8948 -25.8060 -25.3908 -25.3816 -25.3039 -25.2066 -17.0324 -17.0160 -17.0139 -17.0060 5.2583 5.2894 10.1413 10.1555 10.5470 10.6162 11.2755 11.2814 12.0584 12.1191 13.1703 13.1770 13.2785 13.3987 13.4842 13.4929 13.9556 14.0560 16.4139 16.6706 17.0441 17.0607 17.2305 17.3655 17.6495 17.7682 k = 0.6184-0.0684 0.4190 ( 4708 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5467 -28.5397 -25.8949 -25.8060 -25.3908 -25.3815 -25.3040 -25.2065 -17.0324 -17.0160 -17.0139 -17.0060 5.2584 5.2895 10.1414 10.1558 10.5478 10.6170 11.2744 11.2844 12.0573 12.1181 13.1687 13.1766 13.2773 13.3971 13.4761 13.4887 13.9651 14.0631 16.4144 16.6714 17.0393 17.0579 17.2317 17.3640 17.6436 17.7728 k = 0.6118-0.0646 0.4297 ( 4712 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5468 -28.5397 -25.8950 -25.8059 -25.3907 -25.3815 -25.3042 -25.2063 -17.0324 -17.0160 -17.0139 -17.0061 5.2588 5.2899 10.1418 10.1569 10.5502 10.6194 11.2735 11.2907 12.0542 12.1149 13.1642 13.1753 13.2740 13.3918 13.4546 13.4768 13.9917 14.0835 16.4159 16.6735 17.0259 17.0495 17.2350 17.3595 17.6283 17.7843 k = 0.6053-0.0608 0.4405 ( 4712 PWs) bands (ev): -55.8929 -55.8928 -52.8343 -52.8343 -28.5468 -28.5397 -25.8953 -25.8057 -25.3907 -25.3814 -25.3047 -25.2060 -17.0324 -17.0159 -17.0139 -17.0062 5.2593 5.2905 10.1424 10.1586 10.5544 10.6235 11.2739 11.2990 12.0489 12.1095 13.1567 13.1727 13.2684 13.3812 13.4260 13.4599 14.0308 14.1148 16.4185 16.6769 17.0060 17.0356 17.2391 17.3523 17.6074 17.7988 k = 0.5987-0.0570 0.4512 ( 4707 PWs) bands (ev): -55.8929 -55.8928 -52.8343 -52.8343 -28.5468 -28.5396 -25.8957 -25.8054 -25.3906 -25.3813 -25.3052 -25.2055 -17.0325 -17.0157 -17.0138 -17.0063 5.2602 5.2912 10.1434 10.1607 10.5603 10.6293 11.2755 11.3088 12.0417 12.1021 13.1461 13.1684 13.2607 13.3605 13.3994 13.4414 14.0779 14.1542 16.4220 16.6816 16.9818 17.0171 17.2425 17.3424 17.5834 17.8133 k = 0.5921-0.0532 0.4620 ( 4707 PWs) bands (ev): -55.8929 -55.8928 -52.8343 -52.8343 -28.5468 -28.5396 -25.8961 -25.8051 -25.3904 -25.3812 -25.3059 -25.2050 -17.0325 -17.0156 -17.0138 -17.0065 5.2612 5.2922 10.1448 10.1632 10.5681 10.6368 11.2781 11.3197 12.0325 12.0927 13.1324 13.1618 13.2508 13.3291 13.3796 13.4241 14.1297 14.1992 16.4265 16.6874 16.9550 16.9955 17.2440 17.3302 17.5579 17.8193 k = 0.5855-0.0494 0.4727 ( 4707 PWs) bands (ev): -55.8929 -55.8928 -52.8344 -52.8343 -28.5469 -28.5395 -25.8967 -25.8047 -25.3903 -25.3810 -25.3067 -25.2043 -17.0326 -17.0154 -17.0138 -17.0066 5.2624 5.2934 10.1467 10.1659 10.5777 10.6461 11.2811 11.3313 12.0214 12.0815 13.1157 13.1521 13.2387 13.2951 13.3625 13.4094 14.1836 14.2476 16.4321 16.6940 16.9274 16.9723 17.2420 17.3165 17.5319 17.7813 k = 0.5789-0.0456 0.4835 ( 4705 PWs) bands (ev): -55.8929 -55.8928 -52.8344 -52.8343 -28.5469 -28.5395 -25.8972 -25.8043 -25.3902 -25.3808 -25.3076 -25.2036 -17.0327 -17.0152 -17.0137 -17.0069 5.2637 5.2947 10.1490 10.1688 10.5893 10.6572 11.2841 11.3430 12.0087 12.0686 13.0968 13.1380 13.2245 13.2647 13.3467 13.3969 14.2379 14.2977 16.4387 16.7008 16.9008 16.9489 17.2346 17.3027 17.5063 17.7356 k = 0.5724-0.0418 0.4942 ( 4703 PWs) bands (ev): -55.8929 -55.8928 -52.8344 -52.8343 -28.5469 -28.5394 -25.8979 -25.8039 -25.3900 -25.3806 -25.3086 -25.2028 -17.0327 -17.0149 -17.0137 -17.0071 5.2653 5.2962 10.1518 10.1719 10.6029 10.6701 11.2865 11.3542 11.9945 12.0543 13.0765 13.1191 13.2088 13.2400 13.3325 13.3860 14.2913 14.3480 16.4463 16.7071 16.8773 16.9266 17.2195 17.2905 17.4817 17.6871 k = 0.5658-0.0380 0.5049 ( 4695 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8343 -28.5469 -28.5394 -25.8985 -25.8035 -25.3898 -25.3804 -25.3096 -25.2020 -17.0328 -17.0146 -17.0136 -17.0074 5.2669 5.2978 10.1549 10.1751 10.6183 10.6846 11.2878 11.3644 11.9791 12.0389 13.0561 13.0963 13.1929 13.2201 13.3203 13.3762 14.3428 14.3975 16.4552 16.7114 16.8590 16.9068 17.1962 17.2806 17.4585 17.6367 k = 0.5592-0.0342 0.5157 ( 4693 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5470 -28.5393 -25.8992 -25.8030 -25.3897 -25.3801 -25.3106 -25.2012 -17.0329 -17.0143 -17.0136 -17.0077 5.2686 5.2995 10.1585 10.1785 10.6354 10.7006 11.2874 11.3727 11.9630 12.0227 13.0368 13.0723 13.1776 13.2028 13.3100 13.3674 14.3913 14.4451 16.4655 16.7123 16.8477 16.8908 17.1658 17.2719 17.4370 17.5850 k = 0.5526-0.0304 0.5264 ( 4694 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5470 -28.5392 -25.8999 -25.8026 -25.3896 -25.3799 -25.3115 -25.2004 -17.0330 -17.0140 -17.0135 -17.0080 5.2703 5.3012 10.1625 10.1819 10.6541 10.7178 11.2851 11.3786 11.9466 12.0064 13.0198 13.0494 13.1625 13.1866 13.3015 13.3595 14.4363 14.4897 16.4773 16.7093 16.8433 16.8808 17.1304 17.2629 17.4171 17.5327 k = 0.5461-0.0266 0.5372 ( 4698 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5471 -28.5392 -25.9006 -25.8022 -25.3895 -25.3796 -25.3125 -25.1997 -17.0330 -17.0137 -17.0134 -17.0084 5.2721 5.3029 10.1667 10.1855 10.6739 10.7356 11.2805 11.3816 11.9304 11.9903 13.0059 13.0297 13.1474 13.1708 13.2945 13.3524 14.4770 14.5306 16.4910 16.7037 16.8419 16.8799 17.0919 17.2526 17.3987 17.4807 k = 0.5395-0.0228 0.5479 ( 4704 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5471 -28.5392 -25.9012 -25.8018 -25.3894 -25.3794 -25.3134 -25.1990 -17.0331 -17.0134 -17.0133 -17.0087 5.2738 5.3046 10.1712 10.1892 10.6945 10.7535 11.2738 11.3814 11.9150 11.9749 12.9956 13.0144 13.1321 13.1551 13.2889 13.3460 14.5130 14.5670 16.5069 16.6975 16.8398 16.8893 17.0522 17.2400 17.3813 17.4306 k = 0.5329-0.0190 0.5587 ( 4698 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5471 -28.5391 -25.9017 -25.8015 -25.3893 -25.3792 -25.3141 -25.1983 -17.0332 -17.0133 -17.0130 -17.0091 5.2754 5.3062 10.1757 10.1929 10.7153 10.7705 11.2652 11.3780 11.9011 11.9609 12.9893 13.0040 13.1168 13.1394 13.2845 13.3404 14.5439 14.5984 16.5252 16.6925 16.8368 16.9058 17.0142 17.2236 17.3642 17.3852 k = 0.5263-0.0152 0.5694 ( 4702 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5472 -28.5391 -25.9022 -25.8012 -25.3892 -25.3790 -25.3148 -25.1978 -17.0332 -17.0132 -17.0126 -17.0095 5.2768 5.3076 10.1802 10.1966 10.7358 10.7855 11.2556 11.3719 11.8889 11.9486 12.9867 12.9991 13.1018 13.1237 13.2811 13.3356 14.5692 14.6243 16.5462 16.6896 16.8317 16.9239 16.9843 17.2011 17.3408 17.3542 k = 0.5197-0.0114 0.5801 ( 4710 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5472 -28.5391 -25.9026 -25.8010 -25.3891 -25.3789 -25.3153 -25.1974 -17.0333 -17.0131 -17.0123 -17.0099 5.2781 5.3089 10.1844 10.2001 10.7550 10.7973 11.2460 11.3641 11.8791 11.9385 12.9875 12.9995 13.0877 13.1082 13.2785 13.3314 14.5888 14.6444 16.5694 16.6888 16.8206 16.9313 16.9785 17.1711 17.3135 17.3386 k = 0.5132-0.0076 0.5909 ( 4712 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5473 -28.5390 -25.9029 -25.8009 -25.3891 -25.3788 -25.3157 -25.1970 -17.0333 -17.0131 -17.0120 -17.0103 5.2791 5.3099 10.1879 10.2032 10.7719 10.8044 11.2379 11.3563 11.8717 11.9309 12.9910 13.0040 13.0752 13.0935 13.2768 13.3281 14.6027 14.6586 16.5941 16.6892 16.8009 16.9293 16.9980 17.1352 17.2953 17.3263 k = 0.5066-0.0038 0.6016 ( 4712 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5473 -28.5390 -25.9031 -25.8008 -25.3891 -25.3787 -25.3159 -25.1968 -17.0334 -17.0130 -17.0117 -17.0107 5.2797 5.3105 10.1905 10.2054 10.7853 10.8063 11.2325 11.3502 11.8671 11.9260 12.9957 13.0101 13.0660 13.0814 13.2758 13.3258 14.6109 14.6670 16.6173 16.6883 16.7796 16.9318 17.0226 17.0995 17.2860 17.3170 k = 0.5000-0.0000 0.6124 ( 4712 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5473 -28.5390 -25.9032 -25.8007 -25.3891 -25.3787 -25.3160 -25.1967 -17.0334 -17.0130 -17.0115 -17.0108 5.2799 5.3107 10.1914 10.2062 10.7915 10.8051 11.2306 11.3479 11.8655 11.9244 12.9982 13.0133 13.0626 13.0759 13.2754 13.3249 14.6135 14.6697 16.6293 16.6857 16.7701 16.9348 17.0361 17.0808 17.2833 17.3131 k = 0.5000-0.0000 0.6124 ( 4712 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5473 -28.5390 -25.9032 -25.8007 -25.3891 -25.3787 -25.3160 -25.1967 -17.0334 -17.0130 -17.0115 -17.0108 5.2799 5.3107 10.1914 10.2062 10.7915 10.8051 11.2306 11.3479 11.8655 11.9244 12.9982 13.0133 13.0626 13.0759 13.2754 13.3249 14.6135 14.6697 16.6293 16.6857 16.7701 16.9348 17.0361 17.0808 17.2833 17.3131 k = 0.5000 0.0078 0.6013 ( 4712 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5473 -28.5390 -25.9031 -25.8007 -25.3891 -25.3787 -25.3160 -25.1968 -17.0334 -17.0131 -17.0115 -17.0108 5.2798 5.3107 10.1912 10.2061 10.7758 10.8034 11.2324 11.3510 11.8689 11.9279 13.0004 13.0155 13.0620 13.0795 13.2755 13.3259 14.6105 14.6673 16.6077 16.7070 16.7739 16.9329 17.0203 17.1041 17.2845 17.3192 k = 0.5000 0.0156 0.5903 ( 4710 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5473 -28.5390 -25.9029 -25.8006 -25.3890 -25.3788 -25.3160 -25.1970 -17.0333 -17.0133 -17.0114 -17.0107 5.2796 5.3106 10.1903 10.2057 10.7414 10.7882 11.2370 11.3583 11.8791 11.9385 13.0054 13.0206 13.0632 13.0901 13.2757 13.3289 14.6016 14.6600 16.5725 16.7396 16.7872 16.9209 17.0110 17.1405 17.2888 17.3382 k = 0.5000 0.0234 0.5793 ( 4704 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5472 -28.5390 -25.9026 -25.8004 -25.3890 -25.3789 -25.3159 -25.1973 -17.0333 -17.0135 -17.0112 -17.0105 5.2791 5.3104 10.1885 10.2047 10.6961 10.7589 11.2423 11.3655 11.8967 11.9566 13.0097 13.0240 13.0720 13.1089 13.2761 13.3340 14.5873 14.6484 16.5378 16.7652 16.8130 16.8963 17.0231 17.1738 17.2985 17.3712 k = 0.5000 0.0312 0.5682 ( 4696 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5472 -28.5390 -25.9022 -25.8001 -25.3890 -25.3791 -25.3158 -25.1978 -17.0332 -17.0139 -17.0111 -17.0103 5.2785 5.3101 10.1850 10.2023 10.6446 10.7196 11.2455 11.3683 11.9218 11.9822 13.0106 13.0220 13.0920 13.1373 13.2767 13.3411 14.5686 14.6330 16.5062 16.7847 16.8446 16.8707 17.0472 17.2001 17.3171 17.4183 k = 0.5000 0.0390 0.5572 ( 4698 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5472 -28.5391 -25.9016 -25.7997 -25.3890 -25.3794 -25.3157 -25.1984 -17.0331 -17.0142 -17.0109 -17.0100 5.2777 5.3098 10.1790 10.1975 10.5907 10.6753 11.2443 11.3646 11.9538 12.0151 13.0074 13.0164 13.1199 13.1747 13.2776 13.3509 14.5465 14.6146 16.4783 16.8014 16.8386 16.8884 17.0745 17.2192 17.3492 17.4767 k = 0.5000 0.0468 0.5462 ( 4702 PWs) bands (ev): -55.8929 -55.8928 -52.8344 -52.8343 -28.5472 -28.5391 -25.9009 -25.7994 -25.3890 -25.3797 -25.3156 -25.1991 -17.0330 -17.0146 -17.0108 -17.0098 5.2767 5.3093 10.1691 10.1885 10.5382 10.6303 11.2376 11.3539 11.9914 12.0543 13.0008 13.0089 13.1515 13.2178 13.2805 13.3645 14.5222 14.5944 16.4545 16.8010 16.8349 16.9247 17.1000 17.2328 17.3970 17.5429 k = 0.5000 0.0546 0.5351 ( 4702 PWs) bands (ev): -55.8929 -55.8928 -52.8343 -52.8343 -28.5472 -28.5392 -25.9001 -25.7989 -25.3890 -25.3801 -25.3154 -25.2000 -17.0329 -17.0150 -17.0106 -17.0095 5.2756 5.3088 10.1535 10.1725 10.4912 10.5883 11.2252 11.3368 12.0332 12.0984 12.9918 13.0002 13.1820 13.2529 13.2977 13.3845 14.4971 14.5734 16.4349 16.7824 16.8528 16.9607 17.1221 17.2435 17.4600 17.6135 k = 0.5000 0.0624 0.5241 ( 4698 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5472 -28.5392 -25.8991 -25.7984 -25.3890 -25.3805 -25.3152 -25.2010 -17.0327 -17.0154 -17.0104 -17.0093 5.2744 5.3082 10.1306 10.1469 10.4537 10.5526 11.2078 11.3145 12.0777 12.1456 12.9810 12.9903 13.2066 13.2602 13.3472 13.4139 14.4725 14.5529 16.4195 16.7643 16.8738 16.9945 17.1418 17.2535 17.5352 17.6856 k = 0.5000 0.0702 0.5131 ( 4692 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5472 -28.5393 -25.8980 -25.7979 -25.3889 -25.3809 -25.3150 -25.2021 -17.0326 -17.0158 -17.0102 -17.0090 5.2731 5.3074 10.0993 10.1100 10.4280 10.5253 11.1861 11.2882 12.1234 12.1944 12.9691 12.9794 13.2217 13.2570 13.4102 13.4549 14.4497 14.5341 16.4083 16.7492 16.8945 17.0245 17.1612 17.2642 17.6198 17.7568 k = 0.5000 0.0780 0.5020 ( 4698 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5472 -28.5394 -25.8968 -25.7974 -25.3889 -25.3814 -25.3147 -25.2034 -17.0324 -17.0162 -17.0099 -17.0087 5.2716 5.3066 10.0597 10.0628 10.4138 10.5071 11.1611 11.2590 12.1692 12.2433 12.9564 12.9675 13.2268 13.2497 13.4790 13.5068 14.4300 14.5181 16.4010 16.7377 16.9135 17.0488 17.1824 17.2764 17.7112 17.8257 k = 0.5000 0.0858 0.4910 ( 4704 PWs) bands (ev): -55.8930 -55.8929 -52.8342 -52.8342 -28.5472 -28.5395 -25.8955 -25.7969 -25.3889 -25.3819 -25.3144 -25.2048 -17.0322 -17.0167 -17.0097 -17.0085 5.2701 5.3056 10.0081 10.0130 10.4087 10.4972 11.1338 11.2278 12.2144 12.2912 12.9431 12.9549 13.2233 13.2388 13.5511 13.5679 14.4144 14.5059 16.3977 16.7296 16.9300 17.0667 17.2059 17.2901 17.8073 17.8933 k = 0.5000 0.0936 0.4800 ( 4704 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8342 -28.5472 -28.5396 -25.8940 -25.7964 -25.3889 -25.3824 -25.3141 -25.2064 -17.0320 -17.0171 -17.0094 -17.0082 5.2685 5.3045 9.9488 9.9610 10.4100 10.4942 11.1049 11.1954 12.2582 12.3371 12.9292 12.9417 13.2126 13.2239 13.6244 13.6370 14.4038 14.4983 16.3981 16.7251 16.9436 17.0785 17.2313 17.3052 17.9052 17.9629 k = 0.5000 0.1014 0.4689 ( 4706 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8342 -28.5471 -28.5397 -25.8924 -25.7960 -25.3889 -25.3829 -25.3137 -25.2080 -17.0318 -17.0176 -17.0091 -17.0080 5.2668 5.3032 9.8873 9.9057 10.4158 10.4965 11.0750 11.1625 12.3002 12.3805 12.9150 12.9279 13.1962 13.2050 13.6973 13.7129 14.3987 14.4958 16.4022 16.7240 16.9541 17.0854 17.2569 17.3209 17.9989 18.0419 k = 0.5000 0.1092 0.4579 ( 4698 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8341 -28.5471 -28.5397 -25.8906 -25.7956 -25.3888 -25.3833 -25.3132 -25.2098 -17.0316 -17.0180 -17.0088 -17.0077 5.2651 5.3018 9.8252 9.8485 10.4247 10.5027 11.0448 11.1295 12.3399 12.4210 12.9005 12.9137 13.1751 13.1820 13.7712 13.7925 14.3994 14.4986 16.4099 16.7263 16.9618 17.0888 17.2813 17.3365 18.0829 18.1368 k = 0.5000 0.1170 0.4469 ( 4700 PWs) bands (ev): -55.8931 -55.8931 -52.8341 -52.8341 -28.5471 -28.5399 -25.8888 -25.7953 -25.3888 -25.3838 -25.3126 -25.2117 -17.0314 -17.0184 -17.0085 -17.0075 5.2634 5.3003 9.7634 9.7907 10.4357 10.5117 11.0147 11.0969 12.3771 12.4582 12.8858 12.8992 13.1498 13.1552 13.8464 13.8737 14.4060 14.5066 16.4211 16.7317 16.9672 17.0895 17.3033 17.3513 18.1645 18.2405 k = 0.5000 0.1248 0.4358 ( 4702 PWs) bands (ev): -55.8931 -55.8931 -52.8341 -52.8341 -28.5470 -28.5400 -25.8868 -25.7951 -25.3887 -25.3843 -25.3120 -25.2137 -17.0312 -17.0189 -17.0082 -17.0072 5.2616 5.2987 9.7027 9.7330 10.4482 10.5228 10.9851 11.0649 12.4117 12.4920 12.8711 12.8846 13.1210 13.1253 13.9223 13.9556 14.4182 14.5196 16.4357 16.7403 16.9707 17.0882 17.3219 17.3649 18.2497 18.3469 k = 0.5000 0.1326 0.4248 ( 4706 PWs) bands (ev): -55.8931 -55.8931 -52.8341 -52.8341 -28.5470 -28.5401 -25.8846 -25.7950 -25.3887 -25.3848 -25.3113 -25.2159 -17.0310 -17.0193 -17.0079 -17.0070 5.2599 5.2969 9.6436 9.6763 10.4617 10.5352 10.9564 11.0338 12.4437 12.5223 12.8565 12.8699 13.0894 13.0929 13.9984 14.0374 14.4356 14.5372 16.4535 16.7516 16.9730 17.0856 17.3368 17.3769 18.3400 18.4538 k = 0.5000 0.1404 0.4138 ( 4706 PWs) bands (ev): -55.8932 -55.8932 -52.8340 -52.8340 -28.5469 -28.5403 -25.8824 -25.7950 -25.3887 -25.3852 -25.3105 -25.2181 -17.0308 -17.0197 -17.0076 -17.0068 5.2582 5.2950 9.5865 9.6208 10.4758 10.5484 10.9288 11.0038 12.4729 12.5491 12.8419 12.8553 13.0555 13.0589 14.0742 14.1186 14.4576 14.5588 16.4746 16.7655 16.9745 17.0820 17.3481 17.3870 18.4355 18.5605 k = 0.5000 0.1482 0.4027 ( 4706 PWs) bands (ev): -55.8932 -55.8932 -52.8340 -52.8340 -28.5468 -28.5404 -25.8800 -25.7951 -25.3886 -25.3856 -25.3096 -25.2205 -17.0305 -17.0202 -17.0073 -17.0065 5.2565 5.2930 9.5317 9.5671 10.4903 10.5619 10.9025 10.9752 12.4994 12.5724 12.8275 12.8410 13.0200 13.0239 14.1491 14.1985 14.4836 14.5838 16.4989 16.7816 16.9759 17.0776 17.3563 17.3948 18.5358 18.6667 k = 0.5000 0.1560 0.3917 ( 4702 PWs) bands (ev): -55.8932 -55.8932 -52.8340 -52.8340 -28.5468 -28.5406 -25.8775 -25.7954 -25.3886 -25.3860 -25.3086 -25.2230 -17.0303 -17.0206 -17.0070 -17.0063 5.2550 5.2909 9.4794 9.5154 10.5048 10.5755 10.8779 10.9481 12.5232 12.5923 12.8134 12.8272 12.9839 12.9886 14.2226 14.2765 14.5129 14.6114 16.5262 16.7993 16.9780 17.0728 17.3618 17.4002 18.6401 18.7727 k = 0.5000 0.1638 0.3807 ( 4708 PWs) bands (ev): -55.8933 -55.8933 -52.8339 -52.8339 -28.5467 -28.5408 -25.8749 -25.7958 -25.3885 -25.3864 -25.3076 -25.2256 -17.0301 -17.0210 -17.0067 -17.0061 5.2534 5.2886 9.4298 9.4660 10.5192 10.5886 10.8551 10.9225 12.5442 12.6086 12.7995 12.8144 12.9477 12.9536 14.2942 14.3522 14.5449 14.6412 16.5563 16.8177 16.9815 17.0680 17.3654 17.4032 18.7474 18.8779 k = 0.5000 0.1716 0.3696 ( 4708 PWs) bands (ev): -55.8933 -55.8933 -52.8339 -52.8339 -28.5466 -28.5410 -25.8722 -25.7964 -25.3885 -25.3867 -25.3064 -25.2282 -17.0299 -17.0214 -17.0064 -17.0059 5.2520 5.2863 9.3830 9.4189 10.5331 10.6010 10.8344 10.8987 12.5625 12.6214 12.7858 12.8029 12.9121 12.9196 14.3635 14.4250 14.5788 14.6723 16.5892 16.8356 16.9876 17.0634 17.3675 17.4039 18.8559 18.9801 k = 0.5000 0.1794 0.3586 ( 4708 PWs) bands (ev): -55.8933 -55.8933 -52.8339 -52.8339 -28.5465 -28.5411 -25.8694 -25.7972 -25.3884 -25.3869 -25.3050 -25.2310 -17.0296 -17.0218 -17.0061 -17.0057 5.2507 5.2839 9.3391 9.3743 10.5464 10.6122 10.8159 10.8766 12.5779 12.6306 12.7722 12.7931 12.8777 12.8875 14.4301 14.4944 14.6142 14.7043 16.6246 16.8515 16.9973 17.0598 17.3684 17.4025 18.9628 19.0749 k = 0.5000 0.1872 0.3476 ( 4706 PWs) bands (ev): -55.8934 -55.8933 -52.8338 -52.8338 -28.5464 -28.5413 -25.8665 -25.7982 -25.3884 -25.3872 -25.3036 -25.2338 -17.0294 -17.0222 -17.0058 -17.0055 5.2496 5.2814 9.2982 9.3324 10.5590 10.6220 10.7999 10.8564 12.5904 12.6362 12.7587 12.7850 12.8449 12.8581 14.4936 14.5596 14.6507 14.7366 16.6621 16.8639 17.0102 17.0591 17.3686 17.3995 19.0621 19.1555 k = 0.5000 0.1951 0.3365 ( 4706 PWs) bands (ev): -55.8934 -55.8934 -52.8338 -52.8338 -28.5462 -28.5415 -25.8635 -25.7993 -25.3883 -25.3874 -25.3020 -25.2368 -17.0292 -17.0226 -17.0055 -17.0053 5.2486 5.2788 9.2603 9.2933 10.5706 10.6299 10.7867 10.8381 12.5996 12.6384 12.7452 12.7782 12.8146 12.8324 14.5537 14.6201 14.6879 14.7686 16.7011 16.8725 17.0224 17.0661 17.3684 17.3952 19.1406 19.2159 k = 0.5000 0.2029 0.3255 ( 4708 PWs) bands (ev): -55.8934 -55.8934 -52.8338 -52.8338 -28.5461 -28.5417 -25.8605 -25.8006 -25.3883 -25.3875 -25.3004 -25.2397 -17.0290 -17.0230 -17.0053 -17.0051 5.2477 5.2763 9.2256 9.2569 10.5810 10.6357 10.7763 10.8218 12.6054 12.6375 12.7315 12.7698 12.7895 12.8117 14.6101 14.6748 14.7262 14.7998 16.7408 16.8777 17.0286 17.0856 17.3678 17.3900 19.1759 19.2559 k = 0.5000 0.2107 0.3145 ( 4710 PWs) bands (ev): -55.8934 -55.8934 -52.8338 -52.8338 -28.5460 -28.5419 -25.8574 -25.8021 -25.3882 -25.3877 -25.2985 -25.2428 -17.0288 -17.0233 -17.0051 -17.0049 5.2470 5.2737 9.1940 9.2234 10.5902 10.6393 10.7687 10.8075 12.6079 12.6340 12.7174 12.7518 12.7771 12.7973 14.6623 14.7225 14.7657 14.8299 16.7800 16.8805 17.0317 17.1145 17.3671 17.3846 19.1646 19.2644 k = 0.5000 0.2185 0.3034 ( 4714 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5458 -28.5422 -25.8542 -25.8038 -25.3882 -25.3878 -25.2966 -25.2458 -17.0285 -17.0237 -17.0049 -17.0047 5.2465 5.2711 9.1655 9.1928 10.5980 10.6408 10.7638 10.7954 12.6074 12.6284 12.7030 12.7293 12.7716 12.7894 14.7102 14.7631 14.8060 14.8584 16.8166 16.8817 17.0364 17.1478 17.3659 17.3799 19.1239 19.2349 k = 0.5000 0.2263 0.2924 ( 4714 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5457 -28.5424 -25.8510 -25.8056 -25.3882 -25.3879 -25.2945 -25.2490 -17.0283 -17.0240 -17.0047 -17.0046 5.2462 5.2685 9.1403 9.1651 10.6044 10.6406 10.7611 10.7853 12.6046 12.6213 12.6890 12.7081 12.7683 12.7860 14.7536 14.7977 14.8453 14.8852 16.8476 16.8825 17.0462 17.1827 17.3638 17.3771 19.0682 19.1802 k = 0.5000 0.2341 0.2814 ( 4704 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5455 -28.5426 -25.8478 -25.8076 -25.3881 -25.3879 -25.2923 -25.2521 -17.0281 -17.0244 -17.0045 -17.0044 5.2462 5.2660 9.1182 9.1405 10.6093 10.6391 10.7599 10.7773 12.6003 12.6132 12.6759 12.6893 12.7669 12.7848 14.7920 14.8279 14.8814 14.9098 16.8693 16.8843 17.0635 17.2168 17.3610 17.3770 19.0066 19.1141 k = 0.5000 0.2419 0.2703 ( 4708 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5453 -28.5428 -25.8446 -25.8098 -25.3881 -25.3880 -25.2900 -25.2552 -17.0279 -17.0247 -17.0043 -17.0043 5.2463 5.2636 9.0994 9.1188 10.6130 10.6369 10.7597 10.7712 12.5953 12.6048 12.6641 12.6730 12.7672 12.7844 14.8256 14.8542 14.9134 14.9321 16.8774 16.8908 17.0886 17.2469 17.3596 17.3791 18.9453 19.0449 k = 0.5000 0.2497 0.2593 ( 4708 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5451 -28.5430 -25.8414 -25.8121 -25.3881 -25.3880 -25.2875 -25.2584 -17.0276 -17.0250 -17.0042 -17.0042 5.2466 5.2613 9.0837 9.1001 10.6156 10.6344 10.7599 10.7668 12.5902 12.5969 12.6539 12.6593 12.7686 12.7842 14.8540 14.8766 14.9407 14.9518 16.8790 16.8964 17.1190 17.2694 17.3628 17.3829 18.8884 18.9775 k = 0.5000 0.2575 0.2483 ( 4704 PWs) bands (ev): -55.8935 -55.8935 -52.8336 -52.8336 -28.5449 -28.5432 -25.8382 -25.8146 -25.3880 -25.3880 -25.2850 -25.2615 -17.0274 -17.0253 -17.0041 -17.0041 5.2472 5.2590 9.0712 9.0845 10.6175 10.6319 10.7603 10.7639 12.5854 12.5899 12.6454 12.6483 12.7707 12.7838 14.8775 14.8949 14.9629 14.9688 16.8801 16.8982 17.1513 17.2807 17.3723 17.3882 18.8393 18.9152 k = 0.5000 0.2653 0.2372 ( 4702 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5447 -28.5434 -25.8350 -25.8172 -25.3880 -25.3880 -25.2823 -25.2646 -17.0272 -17.0256 -17.0040 -17.0040 5.2480 5.2569 9.0619 9.0720 10.6189 10.6294 10.7606 10.7622 12.5814 12.5842 12.6385 12.6398 12.7730 12.7833 14.8960 14.9089 14.9801 14.9826 16.8814 16.8972 17.1823 17.2818 17.3856 17.3945 18.8006 18.8608 k = 0.5000 0.2731 0.2262 ( 4702 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5445 -28.5437 -25.8318 -25.8199 -25.3880 -25.3880 -25.2795 -25.2677 -17.0269 -17.0259 -17.0040 -17.0040 5.2490 5.2550 9.0558 9.0625 10.6202 10.6270 10.7608 10.7613 12.5784 12.5801 12.6335 12.6339 12.7753 12.7824 14.9098 14.9183 14.9922 14.9929 16.8832 16.8947 17.2100 17.2762 17.3978 17.4009 18.7747 18.8166 k = 0.5000 0.2809 0.2152 ( 4678 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5443 -28.5438 -25.8287 -25.8227 -25.3880 -25.3880 -25.2766 -25.2707 -17.0267 -17.0261 -17.0039 -17.0039 5.2502 5.2532 9.0528 9.0562 10.6215 10.6249 10.7609 10.7609 12.5767 12.5774 12.6304 12.6304 12.7775 12.7811 14.9189 14.9231 14.9993 14.9994 16.8856 16.8916 17.2331 17.2660 17.4057 17.4061 18.7630 18.7845 k = 0.5000 0.2887 0.2041 ( 4664 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5440 -28.5440 -25.8257 -25.8257 -25.3879 -25.3879 -25.2737 -25.2737 -17.0264 -17.0264 -17.0039 -17.0039 5.2516 5.2516 9.0529 9.0529 10.6231 10.6231 10.7609 10.7609 12.5763 12.5763 12.6293 12.6293 12.7795 12.7795 14.9233 14.9233 15.0017 15.0017 16.8885 16.8885 17.2517 17.2517 17.4082 17.4082 18.7663 18.7663 k = 0.5000 0.2887 0.2041 ( 4664 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5440 -28.5440 -25.8257 -25.8257 -25.3879 -25.3879 -25.2737 -25.2737 -17.0264 -17.0264 -17.0039 -17.0039 5.2516 5.2516 9.0529 9.0529 10.6231 10.6231 10.7609 10.7609 12.5763 12.5763 12.6293 12.6293 12.7795 12.7795 14.9233 14.9233 15.0017 15.0017 16.8885 16.8885 17.2517 17.2517 17.4082 17.4082 18.7663 18.7663 k = 0.4961 0.2864 0.2169 ( 4679 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5443 -28.5438 -25.8287 -25.8227 -25.3880 -25.3880 -25.2766 -25.2707 -17.0267 -17.0261 -17.0039 -17.0039 5.2502 5.2532 9.0528 9.0562 10.6215 10.6249 10.7609 10.7609 12.5767 12.5774 12.6304 12.6304 12.7775 12.7811 14.9189 14.9231 14.9994 14.9994 16.8856 16.8917 17.2331 17.2660 17.4057 17.4061 18.7630 18.7846 k = 0.4922 0.2842 0.2296 ( 4697 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5445 -28.5437 -25.8318 -25.8199 -25.3880 -25.3880 -25.2795 -25.2677 -17.0269 -17.0259 -17.0040 -17.0040 5.2490 5.2550 9.0558 9.0626 10.6202 10.6270 10.7610 10.7611 12.5784 12.5801 12.6337 12.6337 12.7753 12.7824 14.9098 14.9183 14.9925 14.9926 16.8832 16.8947 17.2099 17.2762 17.3978 17.4009 18.7747 18.8167 k = 0.4883 0.2819 0.2424 ( 4702 PWs) bands (ev): -55.8936 -55.8936 -52.8336 -52.8336 -28.5447 -28.5434 -25.8350 -25.8172 -25.3880 -25.3880 -25.2823 -25.2646 -17.0272 -17.0256 -17.0040 -17.0040 5.2480 5.2569 9.0619 9.0720 10.6189 10.6293 10.7612 10.7616 12.5815 12.5842 12.6391 12.6393 12.7730 12.7833 14.8960 14.9087 14.9813 14.9813 16.8814 16.8971 17.1823 17.2818 17.3855 17.3945 18.8007 18.8610 k = 0.4844 0.2797 0.2552 ( 4701 PWs) bands (ev): -55.8935 -55.8935 -52.8336 -52.8336 -28.5449 -28.5432 -25.8382 -25.8146 -25.3881 -25.3880 -25.2850 -25.2615 -17.0274 -17.0253 -17.0041 -17.0041 5.2472 5.2590 9.0713 9.0846 10.6176 10.6317 10.7617 10.7626 12.5857 12.5897 12.6467 12.6470 12.7707 12.7838 14.8776 14.8944 14.9658 14.9659 16.8802 16.8979 17.1513 17.2806 17.3722 17.3882 18.8395 18.9156 k = 0.4805 0.2774 0.2679 ( 4709 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5451 -28.5430 -25.8414 -25.8121 -25.3881 -25.3880 -25.2875 -25.2584 -17.0276 -17.0250 -17.0042 -17.0042 5.2466 5.2613 9.0838 9.1003 10.6161 10.6339 10.7626 10.7642 12.5906 12.5966 12.6563 12.6570 12.7686 12.7841 14.8546 14.8752 14.9463 14.9464 16.8795 16.8953 17.1195 17.2692 17.3628 17.3830 18.8887 18.9780 k = 0.4766 0.2751 0.2807 ( 4708 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5453 -28.5428 -25.8446 -25.8098 -25.3881 -25.3879 -25.2900 -25.2552 -17.0279 -17.0247 -17.0044 -17.0043 5.2463 5.2636 9.0995 9.1190 10.6141 10.6357 10.7642 10.7667 12.5960 12.6046 12.6680 12.6691 12.7672 12.7843 14.8269 14.8510 14.9232 14.9234 16.8792 16.8870 17.0904 17.2466 17.3600 17.3791 18.9456 19.0457 k = 0.4727 0.2729 0.2934 ( 4708 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5455 -28.5426 -25.8479 -25.8076 -25.3882 -25.3879 -25.2923 -25.2521 -17.0281 -17.0244 -17.0045 -17.0044 5.2461 5.2661 9.1184 9.1407 10.6115 10.6369 10.7668 10.7703 12.6011 12.6134 12.6816 12.6834 12.7670 12.7846 14.7947 14.8217 14.8965 14.8972 16.8699 16.8789 17.0680 17.2163 17.3623 17.3764 19.0067 19.1154 k = 0.4688 0.2706 0.3062 ( 4715 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5457 -28.5424 -25.8511 -25.8056 -25.3882 -25.3878 -25.2945 -25.2489 -17.0283 -17.0240 -17.0048 -17.0045 5.2462 5.2686 9.1405 9.1654 10.6081 10.6369 10.7707 10.7753 12.6053 12.6226 12.6970 12.6997 12.7686 12.7853 14.7579 14.7873 14.8666 14.8683 16.8427 16.8782 17.0547 17.1825 17.3673 17.3751 19.0675 19.1826 k = 0.4648 0.2684 0.3189 ( 4710 PWs) bands (ev): -55.8935 -55.8935 -52.8337 -52.8337 -28.5458 -28.5422 -25.8543 -25.8038 -25.3883 -25.3877 -25.2966 -25.2458 -17.0285 -17.0237 -17.0050 -17.0046 5.2465 5.2711 9.1658 9.1932 10.6037 10.6357 10.7762 10.7817 12.6076 12.6315 12.7141 12.7180 12.7728 12.7871 14.7168 14.7479 14.8338 14.8371 16.8069 16.8763 17.0501 17.1483 17.3738 17.3747 19.1211 19.2391 k = 0.4609 0.2661 0.3317 ( 4706 PWs) bands (ev): -55.8934 -55.8934 -52.8338 -52.8338 -28.5460 -28.5419 -25.8574 -25.8021 -25.3884 -25.3875 -25.2985 -25.2428 -17.0288 -17.0233 -17.0052 -17.0047 5.2470 5.2737 9.1943 9.2239 10.5982 10.6329 10.7835 10.7898 12.6073 12.6392 12.7326 12.7383 12.7803 12.7907 14.6715 14.7037 14.7985 14.8037 16.7655 16.8722 17.0517 17.1164 17.3752 17.3811 19.1567 19.2706 k = 0.4570 0.2639 0.3445 ( 4710 PWs) bands (ev): -55.8934 -55.8934 -52.8338 -52.8338 -28.5461 -28.5417 -25.8605 -25.8006 -25.3885 -25.3874 -25.3003 -25.2398 -17.0290 -17.0230 -17.0055 -17.0048 5.2477 5.2763 9.2260 9.2575 10.5917 10.6286 10.7927 10.7995 12.6039 12.6446 12.7523 12.7603 12.7915 12.7974 14.6222 14.6551 14.7609 14.7684 16.7213 16.8645 17.0574 17.0891 17.3764 17.3889 19.1596 19.2592 k = 0.4531 0.2616 0.3572 ( 4706 PWs) bands (ev): -55.8934 -55.8934 -52.8338 -52.8338 -28.5462 -28.5415 -25.8635 -25.7993 -25.3886 -25.3872 -25.3019 -25.2368 -17.0292 -17.0226 -17.0058 -17.0050 5.2485 5.2788 9.2608 9.2940 10.5841 10.6227 10.8038 10.8108 12.5970 12.6467 12.7728 12.7840 12.8066 12.8083 14.5694 14.6024 14.7212 14.7313 16.6762 16.8518 17.0657 17.0684 17.3782 17.3971 19.1209 19.2025 k = 0.4492 0.2594 0.3700 ( 4704 PWs) bands (ev): -55.8934 -55.8933 -52.8338 -52.8338 -28.5464 -28.5413 -25.8664 -25.7982 -25.3887 -25.3869 -25.3034 -25.2339 -17.0294 -17.0222 -17.0062 -17.0051 5.2495 5.2814 9.2986 9.3333 10.5756 10.6155 10.8167 10.8238 12.5868 12.6448 12.7935 12.8093 12.8240 12.8253 14.5132 14.5463 14.6797 14.6927 16.6314 16.8338 17.0553 17.0757 17.3803 17.4055 19.0474 19.1174 k = 0.4453 0.2571 0.3827 ( 4709 PWs) bands (ev): -55.8933 -55.8933 -52.8339 -52.8339 -28.5465 -28.5412 -25.8693 -25.7973 -25.3888 -25.3867 -25.3047 -25.2312 -17.0296 -17.0218 -17.0066 -17.0052 5.2506 5.2838 9.3395 9.3753 10.5661 10.6069 10.8313 10.8383 12.5734 12.6386 12.8146 12.8359 12.8445 12.8473 14.4541 14.4870 14.6367 14.6528 16.5879 16.8112 17.0493 17.0869 17.3827 17.4140 18.9534 19.0197 k = 0.4414 0.2548 0.3955 ( 4711 PWs) bands (ev): -55.8933 -55.8933 -52.8339 -52.8339 -28.5466 -28.5410 -25.8721 -25.7966 -25.3889 -25.3864 -25.3059 -25.2285 -17.0298 -17.0214 -17.0070 -17.0053 5.2518 5.2862 9.3834 9.4200 10.5559 10.5972 10.8474 10.8543 12.5571 12.6282 12.8368 12.8637 12.8684 12.8723 14.3925 14.4253 14.5923 14.6117 16.5462 16.7857 17.0492 17.0987 17.3853 17.4226 18.8496 18.9179 k = 0.4375 0.2526 0.4082 ( 4719 PWs) bands (ev): -55.8933 -55.8933 -52.8339 -52.8339 -28.5467 -28.5408 -25.8747 -25.7961 -25.3891 -25.3861 -25.3069 -25.2260 -17.0301 -17.0210 -17.0074 -17.0054 5.2532 5.2884 9.4302 9.4673 10.5451 10.5866 10.8651 10.8717 12.5380 12.6140 12.8604 12.8926 12.8947 12.8997 14.3289 14.3615 14.5469 14.5698 16.5070 16.7590 17.0534 17.1109 17.3878 17.4313 18.7423 18.8164 k = 0.4336 0.2503 0.4210 ( 4713 PWs) bands (ev): -55.8932 -55.8932 -52.8340 -52.8340 -28.5468 -28.5407 -25.8772 -25.7958 -25.3892 -25.3857 -25.3078 -25.2235 -17.0303 -17.0206 -17.0078 -17.0055 5.2545 5.2906 9.4797 9.5171 10.5336 10.5753 10.8840 10.8904 12.5163 12.5961 12.8854 12.9226 12.9227 12.9291 14.2636 14.2963 14.5007 14.5273 16.4706 16.7326 17.0606 17.1231 17.3901 17.4399 18.6350 18.7174 k = 0.4297 0.2481 0.4338 ( 4708 PWs) bands (ev): -55.8932 -55.8932 -52.8340 -52.8340 -28.5468 -28.5405 -25.8796 -25.7956 -25.3893 -25.3854 -25.3085 -25.2212 -17.0305 -17.0202 -17.0083 -17.0056 5.2560 5.2925 9.5319 9.5691 10.5217 10.5633 10.9042 10.9104 12.4920 12.5748 12.9118 12.9518 12.9537 12.9600 14.1971 14.2300 14.4538 14.4844 16.4374 16.7074 17.0699 17.1353 17.3922 17.4484 18.5297 18.6223 k = 0.4258 0.2458 0.4465 ( 4707 PWs) bands (ev): -55.8932 -55.8932 -52.8340 -52.8340 -28.5469 -28.5403 -25.8818 -25.7956 -25.3894 -25.3850 -25.3090 -25.2190 -17.0307 -17.0198 -17.0087 -17.0057 5.2574 5.2944 9.5864 9.6232 10.5095 10.5509 10.9256 10.9316 12.4653 12.5503 12.9392 12.9816 12.9857 12.9921 14.1299 14.1633 14.4067 14.4414 16.4076 16.6843 17.0807 17.1470 17.3937 17.4565 18.4276 18.5320 k = 0.4219 0.2436 0.4593 ( 4703 PWs) bands (ev): -55.8931 -55.8931 -52.8341 -52.8341 -28.5469 -28.5402 -25.8839 -25.7958 -25.3896 -25.3846 -25.3094 -25.2170 -17.0309 -17.0193 -17.0092 -17.0057 5.2588 5.2960 9.6433 9.6791 10.4969 10.5383 10.9480 10.9538 12.4363 12.5226 12.9673 13.0120 13.0179 13.0255 14.0625 14.0966 14.3595 14.3987 16.3817 16.6638 17.0924 17.1580 17.3946 17.4643 18.3296 18.4469 k = 0.4180 0.2413 0.4720 ( 4705 PWs) bands (ev): -55.8931 -55.8931 -52.8341 -52.8341 -28.5469 -28.5401 -25.8858 -25.7961 -25.3897 -25.3842 -25.3096 -25.2151 -17.0311 -17.0189 -17.0097 -17.0058 5.2601 5.2974 9.7020 9.7365 10.4842 10.5256 10.9715 10.9771 12.4052 12.4919 12.9958 13.0425 13.0497 13.0603 13.9953 14.0305 14.3125 14.3566 16.3599 16.6462 17.1046 17.1679 17.3946 17.4713 18.2364 18.3673 k = 0.4141 0.2391 0.4848 ( 4705 PWs) bands (ev): -55.8931 -55.8931 -52.8341 -52.8341 -28.5470 -28.5400 -25.8876 -25.7966 -25.3898 -25.3839 -25.3097 -25.2134 -17.0313 -17.0185 -17.0102 -17.0059 5.2614 5.2985 9.7624 9.7950 10.4715 10.5131 10.9958 11.0014 12.3723 12.4586 13.0243 13.0730 13.0808 13.0961 13.9288 13.9652 14.2661 14.3155 16.3423 16.6319 17.1168 17.1766 17.3935 17.4773 18.1483 18.2931 k = 0.4102 0.2368 0.4976 ( 4703 PWs) bands (ev): -55.8931 -55.8930 -52.8342 -52.8341 -28.5470 -28.5399 -25.8892 -25.7971 -25.3900 -25.3835 -25.3097 -25.2119 -17.0315 -17.0181 -17.0108 -17.0059 5.2625 5.2994 9.8238 9.8540 10.4590 10.5012 11.0211 11.0266 12.3377 12.4230 13.0526 13.1031 13.1109 13.1327 13.8635 13.9014 14.2207 14.2757 16.3292 16.6211 17.1286 17.1834 17.3909 17.4818 18.0658 18.2238 k = 0.4062 0.2345 0.5103 ( 4703 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8342 -28.5470 -28.5398 -25.8906 -25.7979 -25.3901 -25.3831 -25.3095 -25.2105 -17.0316 -17.0176 -17.0113 -17.0059 5.2634 5.3000 9.8858 9.9127 10.4469 10.4903 11.0471 11.0525 12.3020 12.3856 13.0801 13.1324 13.1393 13.1697 13.7998 13.8392 14.1767 14.2376 16.3208 16.6138 17.1395 17.1880 17.3866 17.4841 17.9892 18.1579 k = 0.4023 0.2323 0.5231 ( 4703 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8342 -28.5470 -28.5397 -25.8918 -25.7987 -25.3902 -25.3828 -25.3091 -25.2093 -17.0318 -17.0172 -17.0118 -17.0060 5.2641 5.3003 9.9472 9.9699 10.4359 10.4814 11.0739 11.0793 12.2656 12.3470 13.1064 13.1606 13.1656 13.2065 13.7385 13.7793 14.1345 14.2018 16.3171 16.6103 17.1489 17.1900 17.3800 17.4833 17.9187 18.0937 k = 0.3984 0.2300 0.5358 ( 4702 PWs) bands (ev): -55.8930 -55.8930 -52.8342 -52.8342 -28.5470 -28.5397 -25.8929 -25.7996 -25.3903 -25.3825 -25.3087 -25.2083 -17.0319 -17.0168 -17.0123 -17.0060 5.2645 5.3002 10.0068 10.0239 10.4269 10.4757 11.1013 11.1067 12.2292 12.3079 13.1310 13.1870 13.1888 13.2429 13.6802 13.7220 14.0948 14.1687 16.3181 16.6103 17.1559 17.1889 17.3703 17.4782 17.8548 18.0292 k = 0.3945 0.2278 0.5486 ( 4706 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8342 -28.5470 -28.5397 -25.8937 -25.8005 -25.3904 -25.3823 -25.3081 -25.2075 -17.0321 -17.0164 -17.0128 -17.0060 5.2647 5.2997 10.0621 10.0722 10.4215 10.4752 11.1293 11.1348 12.1935 12.2691 13.1533 13.2075 13.2110 13.2783 13.6259 13.6681 14.0584 14.1389 16.3239 16.6139 17.1593 17.1841 17.3565 17.4675 17.7980 17.9649 k = 0.3906 0.2255 0.5613 ( 4710 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5469 -28.5397 -25.8944 -25.8016 -25.3905 -25.3821 -25.3075 -25.2070 -17.0322 -17.0161 -17.0133 -17.0060 5.2644 5.2988 10.1097 10.1115 10.4229 10.4825 11.1578 11.1634 12.1594 12.2318 13.1721 13.2201 13.2321 13.3120 13.5772 13.6184 14.0259 14.1128 16.3342 16.6207 17.1573 17.1752 17.3373 17.4506 17.7493 17.9040 k = 0.3867 0.2233 0.5741 ( 4706 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5469 -28.5396 -25.8948 -25.8027 -25.3906 -25.3819 -25.3067 -25.2066 -17.0323 -17.0158 -17.0137 -17.0060 5.2637 5.2973 10.1387 10.1447 10.4349 10.5004 11.1868 11.1924 12.1278 12.1970 13.1861 13.2241 13.2496 13.3431 13.5360 13.5743 13.9985 14.0912 16.3488 16.6305 17.1474 17.1609 17.3123 17.4281 17.7098 17.8513 k = 0.3828 0.2210 0.5869 ( 4714 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5469 -28.5397 -25.8950 -25.8038 -25.3907 -25.3817 -25.3058 -25.2064 -17.0323 -17.0157 -17.0140 -17.0060 5.2625 5.2953 10.1520 10.1634 10.4607 10.5299 11.2161 11.2218 12.0998 12.1658 13.1930 13.2174 13.2631 13.3703 13.5049 13.5376 13.9771 14.0743 16.3673 16.6425 17.1264 17.1392 17.2829 17.4033 17.6802 17.8105 k = 0.3789 0.2188 0.5996 ( 4704 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5468 -28.5397 -25.8950 -25.8049 -25.3907 -25.3816 -25.3049 -25.2064 -17.0323 -17.0157 -17.0140 -17.0060 5.2607 5.2927 10.1520 10.1659 10.4994 10.5695 11.2457 11.2515 12.0763 12.1395 13.1905 13.1991 13.2726 13.3905 13.4867 13.5101 13.9626 14.0626 16.3893 16.6563 17.0919 17.1066 17.2539 17.3811 17.6604 17.7830 k = 0.3750 0.2165 0.6124 ( 4714 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5467 -28.5397 -25.8948 -25.8060 -25.3908 -25.3816 -25.3039 -25.2066 -17.0324 -17.0160 -17.0139 -17.0060 5.2583 5.2894 10.1413 10.1555 10.5470 10.6162 11.2755 11.2814 12.0584 12.1191 13.1703 13.1770 13.2785 13.3987 13.4842 13.4929 13.9556 14.0560 16.4139 16.6706 17.0441 17.0607 17.2305 17.3655 17.6495 17.7682 k = 0.6250-0.0722 0.4082 ( 4714 PWs) bands (ev): -55.8929 -55.8929 -52.8343 -52.8343 -28.5467 -28.5397 -25.8948 -25.8060 -25.3908 -25.3816 -25.3039 -25.2066 -17.0324 -17.0160 -17.0139 -17.0060 5.2583 5.2894 10.1413 10.1555 10.5470 10.6162 11.2755 11.2814 12.0584 12.1191 13.1703 13.1770 13.2785 13.3987 13.4842 13.4929 13.9556 14.0560 16.4139 16.6706 17.0441 17.0607 17.2305 17.3655 17.6495 17.7682 k = 0.6184-0.0836 0.4082 ( 4706 PWs) bands (ev): -55.8929 -55.8928 -52.8343 -52.8343 -28.5466 -28.5398 -25.8942 -25.8080 -25.3908 -25.3815 -25.3021 -25.2072 -17.0323 -17.0166 -17.0135 -17.0060 5.2533 5.2829 10.1161 10.1300 10.6323 10.6999 11.3261 11.3321 12.0341 12.0913 13.1115 13.1383 13.2856 13.4005 13.4787 13.4964 13.9504 14.0495 16.4555 16.6903 16.9496 16.9642 17.2087 17.3566 17.6392 17.7546 k = 0.6118-0.0950 0.4082 ( 4710 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8343 -28.5465 -28.5399 -25.8933 -25.8100 -25.3908 -25.3815 -25.3001 -25.2081 -17.0323 -17.0173 -17.0131 -17.0061 5.2477 5.2758 10.0921 10.1061 10.7181 10.7847 11.3772 11.3832 12.0111 12.0649 13.0484 13.0889 13.2936 13.4028 13.4750 13.5122 13.9458 14.0434 16.4910 16.6919 16.8621 16.8631 17.2001 17.3625 17.6314 17.7439 k = 0.6053-0.1064 0.4082 ( 4700 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5464 -28.5400 -25.8923 -25.8122 -25.3908 -25.3815 -25.2980 -25.2092 -17.0322 -17.0179 -17.0127 -17.0061 5.2417 5.2683 10.0695 10.0837 10.8040 10.8701 11.4284 11.4345 11.9893 12.0400 12.9830 13.0326 13.3022 13.4061 13.4787 13.5298 13.9417 14.0378 16.5120 16.6469 16.7723 16.8160 17.1986 17.3765 17.6260 17.7352 k = 0.5987-0.1177 0.4082 ( 4700 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5462 -28.5401 -25.8911 -25.8144 -25.3908 -25.3817 -25.2957 -25.2105 -17.0321 -17.0185 -17.0123 -17.0061 5.2355 5.2604 10.0484 10.0628 10.8894 10.9554 11.4795 11.4856 11.9690 12.0170 12.9165 12.9721 13.3116 13.4102 13.4872 13.5482 13.9380 14.0324 16.4984 16.5583 16.7141 16.8112 17.2022 17.3950 17.6232 17.7281 k = 0.5921-0.1291 0.4082 ( 4700 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5461 -28.5402 -25.8897 -25.8167 -25.3908 -25.3818 -25.2932 -25.2119 -17.0320 -17.0191 -17.0120 -17.0062 5.2291 5.2524 10.0289 10.0433 10.9739 11.0402 11.5302 11.5360 11.9502 11.9960 12.8498 12.9095 13.3217 13.4153 13.4988 13.5668 13.9348 14.0273 16.4372 16.4569 16.7024 16.8182 17.2101 17.4156 17.6234 17.7224 k = 0.5855-0.1405 0.4082 ( 4696 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5459 -28.5403 -25.8881 -25.8192 -25.3907 -25.3821 -25.2906 -25.2136 -17.0318 -17.0198 -17.0116 -17.0062 5.2227 5.2444 10.0109 10.0253 11.0569 11.1240 11.5801 11.5855 11.9331 11.9771 12.7833 12.8460 13.3326 13.4214 13.5123 13.5853 13.9320 14.0225 16.3508 16.3544 16.7153 16.8267 17.2218 17.4358 17.6274 17.7181 k = 0.5789-0.1519 0.4082 ( 4708 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5457 -28.5405 -25.8863 -25.8217 -25.3907 -25.3824 -25.2879 -25.2155 -17.0317 -17.0204 -17.0112 -17.0063 5.2164 5.2365 9.9944 10.0087 11.1381 11.2063 11.6288 11.6333 11.9176 11.9607 12.7174 12.7824 13.3446 13.4284 13.5270 13.6030 13.9298 14.0178 16.2546 16.2581 16.7342 16.8340 17.2367 17.4536 17.6356 17.7150 k = 0.5724-0.1633 0.4082 ( 4708 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5456 -28.5407 -25.8844 -25.8243 -25.3905 -25.3827 -25.2850 -25.2175 -17.0314 -17.0211 -17.0109 -17.0063 5.2104 5.2288 9.9795 9.9934 11.2171 11.2868 11.6758 11.6788 11.9038 11.9470 12.6527 12.7192 13.3576 13.4365 13.5420 13.6196 13.9282 14.0134 16.1590 16.1662 16.7528 16.8396 17.2544 17.4671 17.6484 17.7134 k = 0.5658-0.1747 0.4082 ( 4710 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5454 -28.5409 -25.8824 -25.8270 -25.3904 -25.3831 -25.2820 -25.2197 -17.0312 -17.0217 -17.0105 -17.0064 5.2046 5.2213 9.9662 9.9795 11.2935 11.3649 11.7209 11.7210 11.8917 11.9366 12.5893 12.6568 13.3718 13.4457 13.5569 13.6342 13.9276 14.0091 16.0686 16.0779 16.7690 16.8434 17.2738 17.4759 17.6652 17.7132 k = 0.5592-0.1861 0.4082 ( 4716 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5452 -28.5411 -25.8802 -25.8297 -25.3902 -25.3835 -25.2789 -25.2221 -17.0310 -17.0223 -17.0102 -17.0065 5.1993 5.2143 9.9543 9.9669 11.3669 11.4404 11.7585 11.7635 11.8815 11.9305 12.5274 12.5954 13.3874 13.4560 13.5710 13.6461 13.9281 14.0051 15.9844 15.9946 16.7825 16.8455 17.2941 17.4802 17.6845 17.7146 k = 0.5526-0.1975 0.4082 ( 4716 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5450 -28.5413 -25.8779 -25.8325 -25.3900 -25.3839 -25.2757 -25.2246 -17.0307 -17.0229 -17.0099 -17.0066 5.1943 5.2077 9.9438 9.9556 11.4373 11.5127 11.7893 11.8029 11.8732 11.9303 12.4672 12.5351 13.4043 13.4675 13.5837 13.6547 13.9300 14.0014 15.9070 15.9175 16.7932 16.8463 17.3144 17.4809 17.7042 17.7176 k = 0.5461-0.2089 0.4082 ( 4726 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5448 -28.5415 -25.8755 -25.8354 -25.3898 -25.3844 -25.2724 -25.2272 -17.0304 -17.0236 -17.0096 -17.0067 5.1900 5.2016 9.9349 9.9455 11.5042 11.5814 11.8112 11.8377 11.8684 11.9378 12.4091 12.4760 13.4225 13.4800 13.5943 13.6593 13.9336 13.9981 15.8370 15.8473 16.8017 16.8458 17.3339 17.4789 17.7220 17.7228 k = 0.5395-0.2203 0.4082 ( 4730 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5446 -28.5418 -25.8730 -25.8383 -25.3896 -25.3849 -25.2691 -25.2300 -17.0300 -17.0242 -17.0093 -17.0068 5.1862 5.1962 9.9273 9.9367 11.5675 11.6457 11.8238 11.8543 11.8804 11.9529 12.3531 12.4180 13.4421 13.4934 13.6024 13.6594 13.9387 13.9952 15.7752 15.7848 16.8082 16.8444 17.3520 17.4748 17.7278 17.7388 k = 0.5329-0.2317 0.4082 ( 4738 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5444 -28.5420 -25.8703 -25.8413 -25.3893 -25.3853 -25.2658 -25.2330 -17.0297 -17.0248 -17.0090 -17.0069 5.1830 5.1913 9.9211 9.9292 11.6270 11.7041 11.8296 11.8537 11.9088 11.9730 12.2996 12.3613 13.4628 13.5077 13.6074 13.6551 13.9451 13.9927 15.7219 15.7305 16.8132 16.8424 17.3685 17.4692 17.7345 17.7514 k = 0.5263-0.2431 0.4082 ( 4742 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5442 -28.5423 -25.8676 -25.8442 -25.3890 -25.3858 -25.2624 -25.2360 -17.0293 -17.0253 -17.0087 -17.0071 5.1805 5.1872 9.9162 9.9228 11.6822 11.7539 11.8317 11.8532 11.9380 11.9951 12.2491 12.3056 13.4845 13.5223 13.6091 13.6464 13.9523 13.9904 15.6778 15.6851 16.8172 16.8399 17.3833 17.4625 17.7417 17.7605 k = 0.5197-0.2545 0.4082 ( 4734 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5439 -28.5425 -25.8648 -25.8472 -25.3887 -25.3862 -25.2590 -25.2391 -17.0288 -17.0259 -17.0085 -17.0072 5.1787 5.1837 9.9126 9.9177 11.7323 11.7908 11.8320 11.8553 11.9688 12.0173 12.2022 12.2510 13.5067 13.5370 13.6075 13.6341 13.9597 13.9881 15.6432 15.6490 16.8205 16.8372 17.3964 17.4550 17.7490 17.7661 k = 0.5132-0.2659 0.4082 ( 4724 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5436 -28.5427 -25.8620 -25.8502 -25.3883 -25.3867 -25.2556 -25.2422 -17.0284 -17.0264 -17.0082 -17.0074 5.1776 5.1810 9.9104 9.9138 11.7757 11.8114 11.8321 11.8589 12.0043 12.0396 12.1598 12.1976 13.5289 13.5510 13.6029 13.6189 13.9668 13.9855 15.6186 15.6226 16.8233 16.8343 17.4082 17.4468 17.7557 17.7686 k = 0.5066-0.2773 0.4082 ( 4720 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5434 -28.5429 -25.8591 -25.8532 -25.3879 -25.3871 -25.2521 -25.2455 -17.0279 -17.0269 -17.0080 -17.0076 5.1773 5.1790 9.9094 9.9111 11.8087 11.8197 11.8343 11.8574 12.0457 12.0626 12.1233 12.1459 13.5498 13.5626 13.5964 13.6027 13.9730 13.9823 15.6042 15.6062 16.8260 16.8315 17.4189 17.4381 17.7615 17.7683 k = 0.5000-0.2887 0.4082 ( 4720 PWs) bands (ev): -55.8928 -55.8928 -52.8344 -52.8344 -28.5432 -28.5432 -25.8561 -25.8561 -25.3875 -25.3875 -25.2488 -25.2488 -17.0274 -17.0274 -17.0078 -17.0078 5.1778 5.1778 9.9096 9.9096 11.8210 11.8210 11.8461 11.8461 12.0820 12.0820 12.1027 12.1027 13.5646 13.5646 13.5927 13.5927 13.9782 13.9782 15.6000 15.6000 16.8287 16.8287 17.4288 17.4288 17.7658 17.7658 Writing output data file TaSbRu.save init_run : 0.83s CPU 0.50s WALL ( 1 calls) electrons : 243.98s CPU 151.93s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 243.97s CPU 151.91s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.28s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.30s CPU 0.48s WALL ( 346 calls) cegterg : 215.68s CPU 134.97s WALL ( 346 calls) Called by sum_band: Called by *egterg: h_psi : 150.18s CPU 87.35s WALL ( 6157 calls) s_psi : 5.43s CPU 3.26s WALL ( 6157 calls) g_psi : 0.37s CPU 0.20s WALL ( 5465 calls) cdiaghg : 59.12s CPU 41.93s WALL ( 5811 calls) cegterg:over : 9.09s CPU 5.62s WALL ( 5465 calls) cegterg:upda : 7.39s CPU 4.81s WALL ( 5465 calls) cegterg:last : 3.74s CPU 2.38s WALL ( 1039 calls) cdiaghg:chol : 3.33s CPU 2.38s WALL ( 5811 calls) cdiaghg:inve : 1.72s CPU 1.30s WALL ( 5811 calls) cdiaghg:para : 3.14s CPU 2.33s WALL ( 11622 calls) Called by h_psi: h_psi:vloc : 134.16s CPU 77.69s WALL ( 6157 calls) h_psi:vnl : 15.72s CPU 9.46s WALL ( 6157 calls) add_vuspsi : 9.31s CPU 5.47s WALL ( 6157 calls) General routines calbec : 6.36s CPU 3.96s WALL ( 6157 calls) fft : 0.04s CPU 0.03s WALL ( 15 calls) fftw : 125.83s CPU 72.60s WALL ( 600556 calls) davcio : 0.39s CPU 0.71s WALL ( 692 calls) Parallel routines fft_scatter : 54.88s CPU 33.15s WALL ( 600571 calls) PWSCF : 4m20.36s CPU 3m 0.44s WALL This run was terminated on: 4:43:28 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=