Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:18 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: ./HfNiSn.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 33 23 7 769 460 75 Max 34 24 8 773 474 79 Sum 1213 859 253 27725 16889 2733 bravais-lattice index = 14 lattice parameter (alat) = 8.1283 a.u. unit-cell volume = 379.7432 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 266.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.128336 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 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 Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) Sn 14.00 118.71000 Sn( 1.00) Ni 10.00 58.69340 Ni( 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 0.0288461), wk = 0.0028902 k( 5) = ( 0.0384615 -0.0000000 0.0384615), wk = 0.0028902 k( 6) = ( 0.0480769 -0.0000000 0.0480769), wk = 0.0028902 k( 7) = ( 0.0576923 -0.0000000 0.0576923), wk = 0.0028902 k( 8) = ( 0.0673077 0.0000000 0.0673077), wk = 0.0028902 k( 9) = ( 0.0769231 -0.0000000 0.0769231), wk = 0.0028902 k( 10) = ( 0.0865385 -0.0000000 0.0865385), wk = 0.0028902 k( 11) = ( 0.0961538 -0.0000000 0.0961538), wk = 0.0028902 k( 12) = ( 0.1057692 -0.0000000 0.1057692), wk = 0.0028902 k( 13) = ( 0.1153846 -0.0000000 0.1153846), wk = 0.0028902 k( 14) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0028902 k( 15) = ( 0.1346154 0.0000000 0.1346154), wk = 0.0028902 k( 16) = ( 0.1442308 -0.0000000 0.1442308), wk = 0.0028902 k( 17) = ( 0.1538461 -0.0000000 0.1538461), wk = 0.0028902 k( 18) = ( 0.1634615 -0.0000000 0.1634615), wk = 0.0028902 k( 19) = ( 0.1730769 -0.0000000 0.1730769), wk = 0.0028902 k( 20) = ( 0.1826923 0.0000000 0.1826923), wk = 0.0028902 k( 21) = ( 0.1923077 -0.0000000 0.1923077), wk = 0.0028902 k( 22) = ( 0.2019231 -0.0000000 0.2019231), wk = 0.0028902 k( 23) = ( 0.2115385 -0.0000000 0.2115385), wk = 0.0028902 k( 24) = ( 0.2211539 -0.0000000 0.2211538), wk = 0.0028902 k( 25) = ( 0.2307692 -0.0000000 0.2307692), wk = 0.0028902 k( 26) = ( 0.2403846 -0.0000000 0.2403846), wk = 0.0028902 k( 27) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0028902 k( 28) = ( 0.2596154 -0.0000000 0.2596154), wk = 0.0028902 k( 29) = ( 0.2692308 -0.0000000 0.2692308), wk = 0.0028902 k( 30) = ( 0.2788462 0.0000000 0.2788462), wk = 0.0028902 k( 31) = ( 0.2884615 -0.0000000 0.2884615), wk = 0.0028902 k( 32) = ( 0.2980769 0.0000000 0.2980769), wk = 0.0028902 k( 33) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0028902 k( 34) = ( 0.3173077 -0.0000000 0.3173077), wk = 0.0028902 k( 35) = ( 0.3269231 -0.0000000 0.3269231), wk = 0.0028902 k( 36) = ( 0.3365385 0.0000000 0.3365385), wk = 0.0028902 k( 37) = ( 0.3461538 -0.0000000 0.3461538), wk = 0.0028902 k( 38) = ( 0.3557692 -0.0000000 0.3557692), wk = 0.0028902 k( 39) = ( 0.3653846 0.0000000 0.3653846), wk = 0.0028902 k( 40) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0028902 k( 41) = ( 0.3846154 -0.0000000 0.3846154), wk = 0.0028902 k( 42) = ( 0.3942308 -0.0000000 0.3942308), wk = 0.0028902 k( 43) = ( 0.4038462 -0.0000000 0.4038461), wk = 0.0028902 k( 44) = ( 0.4134615 -0.0000000 0.4134615), wk = 0.0028902 k( 45) = ( 0.4230769 -0.0000000 0.4230769), wk = 0.0028902 k( 46) = ( 0.4326923 -0.0000000 0.4326923), wk = 0.0028902 k( 47) = ( 0.4423077 0.0000000 0.4423077), wk = 0.0028902 k( 48) = ( 0.4519231 0.0000000 0.4519231), wk = 0.0028902 k( 49) = ( 0.4615385 -0.0000000 0.4615385), wk = 0.0028902 k( 50) = ( 0.4711538 -0.0000000 0.4711538), wk = 0.0028902 k( 51) = ( 0.4807692 -0.0000000 0.4807692), wk = 0.0028902 k( 52) = ( 0.4903846 -0.0000000 0.4903846), wk = 0.0028902 k( 53) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 54) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 k( 55) = ( 0.5000000 0.0096154 0.5096154), wk = 0.0028902 k( 56) = ( 0.5000000 0.0192308 0.5192308), wk = 0.0028902 k( 57) = ( 0.5000000 0.0288461 0.5288462), wk = 0.0028902 k( 58) = ( 0.5000000 0.0384615 0.5384615), wk = 0.0028902 k( 59) = ( 0.5000000 0.0480769 0.5480769), wk = 0.0028902 k( 60) = ( 0.5000000 0.0576923 0.5576923), wk = 0.0028902 k( 61) = ( 0.5000000 0.0673077 0.5673077), wk = 0.0028902 k( 62) = ( 0.5000000 0.0769231 0.5769231), wk = 0.0028902 k( 63) = ( 0.5000000 0.0865385 0.5865385), wk = 0.0028902 k( 64) = ( 0.5000000 0.0961538 0.5961538), wk = 0.0028902 k( 65) = ( 0.5000000 0.1057692 0.6057692), wk = 0.0028902 k( 66) = ( 0.5000000 0.1153846 0.6153846), wk = 0.0028902 k( 67) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0028902 k( 68) = ( 0.5000000 0.1346154 0.6346154), wk = 0.0028902 k( 69) = ( 0.5000000 0.1442308 0.6442308), wk = 0.0028902 k( 70) = ( 0.5000000 0.1538461 0.6538461), 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 0.2211538 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 0.3684210 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 0.6954545), 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 0.6545454), wk = 0.0028902 k( 109) = ( 0.3204546 0.3204546 0.6409091), wk = 0.0028902 k( 110) = ( 0.3136364 0.3136364 0.6272727), wk = 0.0028902 k( 111) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0028902 k( 112) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0028902 k( 113) = ( 0.2931818 0.2931818 0.5863636), wk = 0.0028902 k( 114) = ( 0.2863636 0.2863636 0.5727273), wk = 0.0028902 k( 115) = ( 0.2795454 0.2795454 0.5590909), wk = 0.0028902 k( 116) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0028902 k( 117) = ( 0.2659091 0.2659091 0.5318182), wk = 0.0028902 k( 118) = ( 0.2590909 0.2590909 0.5181818), wk = 0.0028902 k( 119) = ( 0.2522727 0.2522727 0.5045454), wk = 0.0028902 k( 120) = ( 0.2454545 0.2454545 0.4909091), wk = 0.0028902 k( 121) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0028902 k( 122) = ( 0.2318182 0.2318182 0.4636364), wk = 0.0028902 k( 123) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0028902 k( 124) = ( 0.2181818 0.2181818 0.4363636), wk = 0.0028902 k( 125) = ( 0.2113636 0.2113636 0.4227273), wk = 0.0028902 k( 126) = ( 0.2045454 0.2045454 0.4090909), wk = 0.0028902 k( 127) = ( 0.1977273 0.1977273 0.3954545), wk = 0.0028902 k( 128) = ( 0.1909091 0.1909091 0.3818182), wk = 0.0028902 k( 129) = ( 0.1840909 0.1840909 0.3681818), wk = 0.0028902 k( 130) = ( 0.1772727 0.1772727 0.3545454), wk = 0.0028902 k( 131) = ( 0.1704546 0.1704545 0.3409091), wk = 0.0028902 k( 132) = ( 0.1636364 0.1636364 0.3272727), wk = 0.0028902 k( 133) = ( 0.1568182 0.1568182 0.3136364), wk = 0.0028902 k( 134) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0028902 k( 135) = ( 0.1431818 0.1431818 0.2863636), wk = 0.0028902 k( 136) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0028902 k( 137) = ( 0.1295455 0.1295455 0.2590909), wk = 0.0028902 k( 138) = ( 0.1227273 0.1227273 0.2454545), wk = 0.0028902 k( 139) = ( 0.1159091 0.1159091 0.2318182), wk = 0.0028902 k( 140) = ( 0.1090909 0.1090909 0.2181818), wk = 0.0028902 k( 141) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0028902 k( 142) = ( 0.0954545 0.0954545 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 0.0545454 0.1090909), wk = 0.0028902 k( 149) = ( 0.0477273 0.0477273 0.0954545), wk = 0.0028902 k( 150) = ( 0.0409091 0.0409091 0.0818182), wk = 0.0028902 k( 151) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0028902 k( 152) = ( 0.0272727 0.0272727 0.0545454), wk = 0.0028902 k( 153) = ( 0.0204545 0.0204545 0.0409091), wk = 0.0028902 k( 154) = ( 0.0136364 0.0136364 0.0272727), wk = 0.0028902 k( 155) = ( 0.0068182 0.0068182 0.0136364), wk = 0.0028902 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028902 k( 158) = ( 0.0111111 0.0111111 0.0111111), wk = 0.0028902 k( 159) = ( 0.0222222 0.0222222 0.0222222), wk = 0.0028902 k( 160) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0028902 k( 161) = ( 0.0444444 0.0444444 0.0444444), wk = 0.0028902 k( 162) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0028902 k( 163) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0028902 k( 164) = ( 0.0777778 0.0777778 0.0777778), wk = 0.0028902 k( 165) = ( 0.0888889 0.0888889 0.0888889), wk = 0.0028902 k( 166) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0028902 k( 167) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0028902 k( 168) = ( 0.1222222 0.1222222 0.1222222), wk = 0.0028902 k( 169) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0028902 k( 170) = ( 0.1444444 0.1444444 0.1444444), wk = 0.0028902 k( 171) = ( 0.1555556 0.1555556 0.1555556), wk = 0.0028902 k( 172) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0028902 k( 173) = ( 0.1777778 0.1777778 0.1777778), wk = 0.0028902 k( 174) = ( 0.1888889 0.1888889 0.1888889), wk = 0.0028902 k( 175) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0028902 k( 176) = ( 0.2111111 0.2111111 0.2111111), wk = 0.0028902 k( 177) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0028902 k( 178) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0028902 k( 179) = ( 0.2444444 0.2444444 0.2444444), wk = 0.0028902 k( 180) = ( 0.2555556 0.2555556 0.2555556), wk = 0.0028902 k( 181) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0028902 k( 182) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0028902 k( 183) = ( 0.2888889 0.2888889 0.2888889), wk = 0.0028902 k( 184) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0028902 k( 185) = ( 0.3111111 0.3111111 0.3111111), wk = 0.0028902 k( 186) = ( 0.3222222 0.3222222 0.3222222), wk = 0.0028902 k( 187) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0028902 k( 188) = ( 0.3444444 0.3444444 0.3444444), wk = 0.0028902 k( 189) = ( 0.3555556 0.3555556 0.3555556), wk = 0.0028902 k( 190) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0028902 k( 191) = ( 0.3777778 0.3777778 0.3777778), wk = 0.0028902 k( 192) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0028902 k( 193) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0028902 k( 194) = ( 0.4111111 0.4111111 0.4111111), wk = 0.0028902 k( 195) = ( 0.4222222 0.4222222 0.4222222), wk = 0.0028902 k( 196) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0028902 k( 197) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0028902 k( 198) = ( 0.4555556 0.4555556 0.4555556), wk = 0.0028902 k( 199) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0028902 k( 200) = ( 0.4777778 0.4777778 0.4777778), wk = 0.0028902 k( 201) = ( 0.4888889 0.4888889 0.4888889), wk = 0.0028902 k( 202) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 203) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 204) = ( 0.5039062 0.4921875 0.5039062), wk = 0.0028902 k( 205) = ( 0.5078125 0.4843750 0.5078125), wk = 0.0028902 k( 206) = ( 0.5117188 0.4765625 0.5117188), wk = 0.0028902 k( 207) = ( 0.5156250 0.4687500 0.5156250), wk = 0.0028902 k( 208) = ( 0.5195312 0.4609375 0.5195312), wk = 0.0028902 k( 209) = ( 0.5234375 0.4531250 0.5234375), wk = 0.0028902 k( 210) = ( 0.5273438 0.4453125 0.5273437), wk = 0.0028902 k( 211) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0028902 k( 212) = ( 0.5351562 0.4296875 0.5351562), wk = 0.0028902 k( 213) = ( 0.5390625 0.4218750 0.5390625), wk = 0.0028902 k( 214) = ( 0.5429688 0.4140625 0.5429687), wk = 0.0028902 k( 215) = ( 0.5468750 0.4062500 0.5468750), wk = 0.0028902 k( 216) = ( 0.5507812 0.3984375 0.5507812), wk = 0.0028902 k( 217) = ( 0.5546875 0.3906250 0.5546875), wk = 0.0028902 k( 218) = ( 0.5585938 0.3828125 0.5585937), wk = 0.0028902 k( 219) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0028902 k( 220) = ( 0.5664062 0.3671875 0.5664062), wk = 0.0028902 k( 221) = ( 0.5703125 0.3593750 0.5703125), wk = 0.0028902 k( 222) = ( 0.5742188 0.3515625 0.5742187), wk = 0.0028902 k( 223) = ( 0.5781250 0.3437500 0.5781250), wk = 0.0028902 k( 224) = ( 0.5820312 0.3359375 0.5820312), wk = 0.0028902 k( 225) = ( 0.5859375 0.3281250 0.5859375), wk = 0.0028902 k( 226) = ( 0.5898438 0.3203125 0.5898437), wk = 0.0028902 k( 227) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0028902 k( 228) = ( 0.5976562 0.3046875 0.5976562), wk = 0.0028902 k( 229) = ( 0.6015625 0.2968750 0.6015625), wk = 0.0028902 k( 230) = ( 0.6054688 0.2890625 0.6054687), wk = 0.0028902 k( 231) = ( 0.6093750 0.2812500 0.6093750), wk = 0.0028902 k( 232) = ( 0.6132812 0.2734375 0.6132812), wk = 0.0028902 k( 233) = ( 0.6171875 0.2656250 0.6171875), wk = 0.0028902 k( 234) = ( 0.6210938 0.2578125 0.6210937), wk = 0.0028902 k( 235) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 236) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0028902 k( 237) = ( 0.6184211 0.2500000 0.6315789), wk = 0.0028902 k( 238) = ( 0.6118421 0.2500000 0.6381579), wk = 0.0028902 k( 239) = ( 0.6052632 0.2500000 0.6447368), wk = 0.0028902 k( 240) = ( 0.5986842 0.2500000 0.6513158), wk = 0.0028902 k( 241) = ( 0.5921053 0.2500000 0.6578947), wk = 0.0028902 k( 242) = ( 0.5855263 0.2500000 0.6644737), wk = 0.0028902 k( 243) = ( 0.5789474 0.2500000 0.6710526), wk = 0.0028902 k( 244) = ( 0.5723684 0.2500000 0.6776316), wk = 0.0028902 k( 245) = ( 0.5657895 0.2500000 0.6842105), wk = 0.0028902 k( 246) = ( 0.5592105 0.2500000 0.6907895), wk = 0.0028902 k( 247) = ( 0.5526316 0.2500000 0.6973684), wk = 0.0028902 k( 248) = ( 0.5460526 0.2500000 0.7039474), wk = 0.0028902 k( 249) = ( 0.5394737 0.2500000 0.7105263), wk = 0.0028902 k( 250) = ( 0.5328947 0.2500000 0.7171053), wk = 0.0028902 k( 251) = ( 0.5263158 0.2500000 0.7236842), wk = 0.0028902 k( 252) = ( 0.5197368 0.2500000 0.7302632), wk = 0.0028902 k( 253) = ( 0.5131579 0.2500000 0.7368421), wk = 0.0028902 k( 254) = ( 0.5065789 0.2500000 0.7434210), 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 0.3040540 0.6959459), 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 0.3513513 0.6486486), 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 0.6013513), wk = 0.0028902 k( 279) = ( 0.5000000 0.4054054 0.5945946), wk = 0.0028902 k( 280) = ( 0.5000000 0.4121622 0.5878378), wk = 0.0028902 k( 281) = ( 0.5000000 0.4189189 0.5810811), wk = 0.0028902 k( 282) = ( 0.5000000 0.4256757 0.5743243), wk = 0.0028902 k( 283) = ( 0.5000000 0.4324324 0.5675676), wk = 0.0028902 k( 284) = ( 0.5000000 0.4391892 0.5608108), wk = 0.0028902 k( 285) = ( 0.5000000 0.4459459 0.5540540), wk = 0.0028902 k( 286) = ( 0.5000000 0.4527027 0.5472973), wk = 0.0028902 k( 287) = ( 0.5000000 0.4594595 0.5405405), wk = 0.0028902 k( 288) = ( 0.5000000 0.4662162 0.5337838), wk = 0.0028902 k( 289) = ( 0.5000000 0.4729730 0.5270270), wk = 0.0028902 k( 290) = ( 0.5000000 0.4797297 0.5202703), wk = 0.0028902 k( 291) = ( 0.5000000 0.4864865 0.5135135), wk = 0.0028902 k( 292) = ( 0.5000000 0.4932432 0.5067568), wk = 0.0028902 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0028902 k( 295) = ( 0.4960938 0.4960937 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 0.4804687 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 0.4648437 0.5703125), wk = 0.0028902 k( 304) = ( 0.4609375 0.4609375 0.5781250), wk = 0.0028902 k( 305) = ( 0.4570312 0.4570312 0.5859375), wk = 0.0028902 k( 306) = ( 0.4531250 0.4531250 0.5937500), wk = 0.0028902 k( 307) = ( 0.4492188 0.4492187 0.6015625), wk = 0.0028902 k( 308) = ( 0.4453125 0.4453125 0.6093750), wk = 0.0028902 k( 309) = ( 0.4414062 0.4414062 0.6171875), wk = 0.0028902 k( 310) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0028902 k( 311) = ( 0.4335938 0.4335937 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 0.4179687 0.6640625), wk = 0.0028902 k( 316) = ( 0.4140625 0.4140625 0.6718750), wk = 0.0028902 k( 317) = ( 0.4101562 0.4101562 0.6796875), wk = 0.0028902 k( 318) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0028902 k( 319) = ( 0.4023438 0.4023437 0.6953125), wk = 0.0028902 k( 320) = ( 0.3984375 0.3984375 0.7031250), wk = 0.0028902 k( 321) = ( 0.3945312 0.3945312 0.7109375), wk = 0.0028902 k( 322) = ( 0.3906250 0.3906250 0.7187500), wk = 0.0028902 k( 323) = ( 0.3867188 0.3867187 0.7265625), wk = 0.0028902 k( 324) = ( 0.3828125 0.3828125 0.7343750), wk = 0.0028902 k( 325) = ( 0.3789062 0.3789062 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 0.6184210), wk = 0.0028902 k( 329) = ( 0.6118421 0.2236842 0.6118421), wk = 0.0028902 k( 330) = ( 0.6052632 0.2105263 0.6052632), wk = 0.0028902 k( 331) = ( 0.5986842 0.1973684 0.5986842), wk = 0.0028902 k( 332) = ( 0.5921053 0.1842105 0.5921053), wk = 0.0028902 k( 333) = ( 0.5855263 0.1710526 0.5855263), wk = 0.0028902 k( 334) = ( 0.5789474 0.1578947 0.5789474), wk = 0.0028902 k( 335) = ( 0.5723684 0.1447368 0.5723684), wk = 0.0028902 k( 336) = ( 0.5657895 0.1315789 0.5657895), wk = 0.0028902 k( 337) = ( 0.5592105 0.1184210 0.5592105), wk = 0.0028902 k( 338) = ( 0.5526316 0.1052632 0.5526316), wk = 0.0028902 k( 339) = ( 0.5460526 0.0921053 0.5460526), wk = 0.0028902 k( 340) = ( 0.5394737 0.0789474 0.5394737), wk = 0.0028902 k( 341) = ( 0.5328947 0.0657895 0.5328947), wk = 0.0028902 k( 342) = ( 0.5263158 0.0526316 0.5263158), wk = 0.0028902 k( 343) = ( 0.5197368 0.0394737 0.5197368), wk = 0.0028902 k( 344) = ( 0.5131579 0.0263158 0.5131579), wk = 0.0028902 k( 345) = ( 0.5065789 0.0131579 0.5065789), wk = 0.0028902 k( 346) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0028902 Dense grid: 27725 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 16889 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 120, 44) NL pseudopotentials 0.09 Mb ( 60, 102) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 770) G-vector shells 0.00 Mb ( 246) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 120, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) The potential is recalculated from file : ./HfNiSn.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.3 secs Computing kpt #: 7 total cpu time spent up to now is 5.8 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.6 secs Computing kpt #: 10 total cpu time spent up to now is 7.0 secs Computing kpt #: 11 total cpu time spent up to now is 7.4 secs Computing kpt #: 12 total cpu time spent up to now is 7.8 secs Computing kpt #: 13 total cpu time spent up to now is 8.2 secs Computing kpt #: 14 total cpu time spent up to now is 8.6 secs Computing kpt #: 15 total cpu time spent up to now is 8.9 secs Computing kpt #: 16 total cpu time spent up to now is 9.3 secs Computing kpt #: 17 total cpu time spent up to now is 9.7 secs Computing kpt #: 18 total cpu time spent up to now is 10.1 secs Computing kpt #: 19 total cpu time spent up to now is 10.6 secs Computing kpt #: 20 total cpu time spent up to now is 11.0 secs Computing kpt #: 21 total cpu time spent up to now is 11.4 secs Computing kpt #: 22 total cpu time spent up to now is 11.8 secs Computing kpt #: 23 total cpu time spent up to now is 12.1 secs Computing kpt #: 24 total cpu time spent up to now is 12.5 secs Computing kpt #: 25 total cpu time spent up to now is 12.9 secs Computing kpt #: 26 total cpu time spent up to now is 13.3 secs Computing kpt #: 27 total cpu time spent up to now is 13.7 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.5 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 15.4 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 16.6 secs Computing kpt #: 35 total cpu time spent up to now is 17.0 secs Computing kpt #: 36 total cpu time spent up to now is 17.4 secs Computing kpt #: 37 total cpu time spent up to now is 17.8 secs Computing kpt #: 38 total cpu time spent up to now is 18.2 secs Computing kpt #: 39 total cpu time spent up to now is 18.5 secs Computing kpt #: 40 total cpu time spent up to now is 18.9 secs Computing kpt #: 41 total cpu time spent up to now is 19.3 secs Computing kpt #: 42 total cpu time spent up to now is 19.7 secs Computing kpt #: 43 total cpu time spent up to now is 20.1 secs Computing kpt #: 44 total cpu time spent up to now is 20.5 secs Computing kpt #: 45 total cpu time spent up to now is 20.9 secs Computing kpt #: 46 total cpu time spent up to now is 21.2 secs Computing kpt #: 47 total cpu time spent up to now is 21.6 secs Computing kpt #: 48 total cpu time spent up to now is 22.0 secs Computing kpt #: 49 total cpu time spent up to now is 22.4 secs Computing kpt #: 50 total cpu time spent up to now is 22.7 secs Computing kpt #: 51 total cpu time spent up to now is 23.1 secs Computing kpt #: 52 total cpu time spent up to now is 23.5 secs Computing kpt #: 53 total cpu time spent up to now is 23.9 secs Computing kpt #: 54 total cpu time spent up to now is 24.2 secs Computing kpt #: 55 total cpu time spent up to now is 24.6 secs Computing kpt #: 56 total cpu time spent up to now is 25.0 secs Computing kpt #: 57 total cpu time spent up to now is 25.4 secs Computing kpt #: 58 total cpu time spent up to now is 25.7 secs Computing kpt #: 59 total cpu time spent up to now is 26.1 secs Computing kpt #: 60 total cpu time spent up to now is 26.5 secs Computing kpt #: 61 total cpu time spent up to now is 26.9 secs Computing kpt #: 62 total cpu time spent up to now is 27.2 secs Computing kpt #: 63 total cpu time spent up to now is 27.6 secs Computing kpt #: 64 total cpu time spent up to now is 28.0 secs Computing kpt #: 65 total cpu time spent up to now is 28.3 secs Computing kpt #: 66 total cpu time spent up to now is 28.7 secs Computing kpt #: 67 total cpu time spent up to now is 29.0 secs Computing kpt #: 68 total cpu time spent up to now is 29.3 secs Computing kpt #: 69 total cpu time spent up to now is 29.7 secs Computing kpt #: 70 total cpu time spent up to now is 30.0 secs Computing kpt #: 71 total cpu time spent up to now is 30.3 secs Computing kpt #: 72 total cpu time spent up to now is 30.7 secs Computing kpt #: 73 total cpu time spent up to now is 31.0 secs Computing kpt #: 74 total cpu time spent up to now is 31.3 secs Computing kpt #: 75 total cpu time spent up to now is 31.7 secs Computing kpt #: 76 total cpu time spent up to now is 32.0 secs Computing kpt #: 77 total cpu time spent up to now is 32.3 secs Computing kpt #: 78 total cpu time spent up to now is 32.6 secs Computing kpt #: 79 total cpu time spent up to now is 33.0 secs Computing kpt #: 80 total cpu time spent up to now is 33.3 secs Computing kpt #: 81 total cpu time spent up to now is 33.7 secs Computing kpt #: 82 total cpu time spent up to now is 34.0 secs Computing kpt #: 83 total cpu time spent up to now is 34.3 secs Computing kpt #: 84 total cpu time spent up to now is 34.7 secs Computing kpt #: 85 total cpu time spent up to now is 35.2 secs Computing kpt #: 86 total cpu time spent up to now is 35.5 secs Computing kpt #: 87 total cpu time spent up to now is 35.9 secs Computing kpt #: 88 total cpu time spent up to now is 36.2 secs Computing kpt #: 89 total cpu time spent up to now is 36.5 secs Computing kpt #: 90 total cpu time spent up to now is 36.9 secs Computing kpt #: 91 total cpu time spent up to now is 37.2 secs Computing kpt #: 92 total cpu time spent up to now is 37.5 secs Computing kpt #: 93 total cpu time spent up to now is 37.9 secs Computing kpt #: 94 total cpu time spent up to now is 38.2 secs Computing kpt #: 95 total cpu time spent up to now is 38.6 secs Computing kpt #: 96 total cpu time spent up to now is 39.0 secs Computing kpt #: 97 total cpu time spent up to now is 39.3 secs Computing kpt #: 98 total cpu time spent up to now is 39.7 secs Computing kpt #: 99 total cpu time spent up to now is 40.1 secs Computing kpt #: 100 total cpu time spent up to now is 40.5 secs Computing kpt #: 101 total cpu time spent up to now is 40.8 secs Computing kpt #: 102 total cpu time spent up to now is 41.2 secs Computing kpt #: 103 total cpu time spent up to now is 41.6 secs Computing kpt #: 104 total cpu time spent up to now is 41.9 secs Computing kpt #: 105 total cpu time spent up to now is 42.3 secs Computing kpt #: 106 total cpu time spent up to now is 42.6 secs Computing kpt #: 107 total cpu time spent up to now is 43.0 secs Computing kpt #: 108 total cpu time spent up to now is 43.4 secs Computing kpt #: 109 total cpu time spent up to now is 43.7 secs Computing kpt #: 110 total cpu time spent up to now is 44.1 secs Computing kpt #: 111 total cpu time spent up to now is 44.4 secs Computing kpt #: 112 total cpu time spent up to now is 44.7 secs Computing kpt #: 113 total cpu time spent up to now is 45.1 secs Computing kpt #: 114 total cpu time spent up to now is 45.4 secs Computing kpt #: 115 total cpu time spent up to now is 45.7 secs Computing kpt #: 116 total cpu time spent up to now is 46.1 secs Computing kpt #: 117 total cpu time spent up to now is 46.4 secs Computing kpt #: 118 total cpu time spent up to now is 46.8 secs Computing kpt #: 119 total cpu time spent up to now is 47.1 secs Computing kpt #: 120 total cpu time spent up to now is 47.5 secs Computing kpt #: 121 total cpu time spent up to now is 47.8 secs Computing kpt #: 122 total cpu time spent up to now is 48.2 secs Computing kpt #: 123 total cpu time spent up to now is 48.6 secs Computing kpt #: 124 total cpu time spent up to now is 48.9 secs Computing kpt #: 125 total cpu time spent up to now is 49.3 secs Computing kpt #: 126 total cpu time spent up to now is 49.7 secs Computing kpt #: 127 total cpu time spent up to now is 50.0 secs Computing kpt #: 128 total cpu time spent up to now is 50.4 secs Computing kpt #: 129 total cpu time spent up to now is 50.7 secs Computing kpt #: 130 total cpu time spent up to now is 51.1 secs Computing kpt #: 131 total cpu time spent up to now is 51.5 secs Computing kpt #: 132 total cpu time spent up to now is 51.9 secs Computing kpt #: 133 total cpu time spent up to now is 52.3 secs Computing kpt #: 134 total cpu time spent up to now is 52.6 secs Computing kpt #: 135 total cpu time spent up to now is 53.0 secs Computing kpt #: 136 total cpu time spent up to now is 53.4 secs Computing kpt #: 137 total cpu time spent up to now is 53.8 secs Computing kpt #: 138 total cpu time spent up to now is 54.2 secs Computing kpt #: 139 total cpu time spent up to now is 54.6 secs Computing kpt #: 140 total cpu time spent up to now is 55.0 secs Computing kpt #: 141 total cpu time spent up to now is 55.5 secs Computing kpt #: 142 total cpu time spent up to now is 55.9 secs Computing kpt #: 143 total cpu time spent up to now is 56.4 secs Computing kpt #: 144 total cpu time spent up to now is 56.7 secs Computing kpt #: 145 total cpu time spent up to now is 57.1 secs Computing kpt #: 146 total cpu time spent up to now is 57.6 secs Computing kpt #: 147 total cpu time spent up to now is 58.0 secs Computing kpt #: 148 total cpu time spent up to now is 58.3 secs Computing kpt #: 149 total cpu time spent up to now is 58.7 secs Computing kpt #: 150 total cpu time spent up to now is 59.1 secs Computing kpt #: 151 total cpu time spent up to now is 59.5 secs Computing kpt #: 152 total cpu time spent up to now is 59.9 secs Computing kpt #: 153 total cpu time spent up to now is 60.5 secs Computing kpt #: 154 total cpu time spent up to now is 61.1 secs Computing kpt #: 155 total cpu time spent up to now is 61.7 secs Computing kpt #: 156 total cpu time spent up to now is 62.2 secs Computing kpt #: 157 total cpu time spent up to now is 62.6 secs Computing kpt #: 158 total cpu time spent up to now is 63.0 secs Computing kpt #: 159 total cpu time spent up to now is 63.4 secs Computing kpt #: 160 total cpu time spent up to now is 63.7 secs Computing kpt #: 161 total cpu time spent up to now is 64.1 secs Computing kpt #: 162 total cpu time spent up to now is 64.5 secs Computing kpt #: 163 total cpu time spent up to now is 64.9 secs Computing kpt #: 164 total cpu time spent up to now is 65.3 secs Computing kpt #: 165 total cpu time spent up to now is 65.7 secs Computing kpt #: 166 total cpu time spent up to now is 66.1 secs Computing kpt #: 167 total cpu time spent up to now is 66.5 secs Computing kpt #: 168 total cpu time spent up to now is 66.9 secs Computing kpt #: 169 total cpu time spent up to now is 67.2 secs Computing kpt #: 170 total cpu time spent up to now is 67.6 secs Computing kpt #: 171 total cpu time spent up to now is 67.9 secs Computing kpt #: 172 total cpu time spent up to now is 68.3 secs Computing kpt #: 173 total cpu time spent up to now is 68.7 secs Computing kpt #: 174 total cpu time spent up to now is 69.1 secs Computing kpt #: 175 total cpu time spent up to now is 69.5 secs Computing kpt #: 176 total cpu time spent up to now is 69.9 secs Computing kpt #: 177 total cpu time spent up to now is 70.3 secs Computing kpt #: 178 total cpu time spent up to now is 70.6 secs Computing kpt #: 179 total cpu time spent up to now is 71.0 secs Computing kpt #: 180 total cpu time spent up to now is 71.3 secs Computing kpt #: 181 total cpu time spent up to now is 71.7 secs Computing kpt #: 182 total cpu time spent up to now is 72.1 secs Computing kpt #: 183 total cpu time spent up to now is 72.5 secs Computing kpt #: 184 total cpu time spent up to now is 72.8 secs Computing kpt #: 185 total cpu time spent up to now is 73.2 secs Computing kpt #: 186 total cpu time spent up to now is 73.5 secs Computing kpt #: 187 total cpu time spent up to now is 73.9 secs Computing kpt #: 188 total cpu time spent up to now is 74.3 secs Computing kpt #: 189 total cpu time spent up to now is 74.7 secs Computing kpt #: 190 total cpu time spent up to now is 75.1 secs Computing kpt #: 191 total cpu time spent up to now is 75.5 secs Computing kpt #: 192 total cpu time spent up to now is 75.9 secs Computing kpt #: 193 total cpu time spent up to now is 76.3 secs Computing kpt #: 194 total cpu time spent up to now is 76.7 secs Computing kpt #: 195 total cpu time spent up to now is 77.1 secs Computing kpt #: 196 total cpu time spent up to now is 77.5 secs Computing kpt #: 197 total cpu time spent up to now is 77.9 secs Computing kpt #: 198 total cpu time spent up to now is 78.3 secs Computing kpt #: 199 total cpu time spent up to now is 78.7 secs Computing kpt #: 200 total cpu time spent up to now is 79.1 secs Computing kpt #: 201 total cpu time spent up to now is 79.5 secs Computing kpt #: 202 total cpu time spent up to now is 79.9 secs Computing kpt #: 203 total cpu time spent up to now is 80.3 secs Computing kpt #: 204 total cpu time spent up to now is 80.7 secs Computing kpt #: 205 total cpu time spent up to now is 81.1 secs Computing kpt #: 206 total cpu time spent up to now is 81.5 secs Computing kpt #: 207 total cpu time spent up to now is 82.0 secs Computing kpt #: 208 total cpu time spent up to now is 82.4 secs Computing kpt #: 209 total cpu time spent up to now is 82.8 secs Computing kpt #: 210 total cpu time spent up to now is 83.2 secs Computing kpt #: 211 total cpu time spent up to now is 83.6 secs Computing kpt #: 212 total cpu time spent up to now is 84.0 secs Computing kpt #: 213 total cpu time spent up to now is 84.5 secs Computing kpt #: 214 total cpu time spent up to now is 84.9 secs Computing kpt #: 215 total cpu time spent up to now is 85.3 secs Computing kpt #: 216 total cpu time spent up to now is 85.7 secs Computing kpt #: 217 total cpu time spent up to now is 86.1 secs Computing kpt #: 218 total cpu time spent up to now is 86.5 secs Computing kpt #: 219 total cpu time spent up to now is 86.9 secs Computing kpt #: 220 total cpu time spent up to now is 87.3 secs Computing kpt #: 221 total cpu time spent up to now is 87.7 secs Computing kpt #: 222 total cpu time spent up to now is 88.1 secs Computing kpt #: 223 total cpu time spent up to now is 88.5 secs Computing kpt #: 224 total cpu time spent up to now is 88.8 secs Computing kpt #: 225 total cpu time spent up to now is 89.2 secs Computing kpt #: 226 total cpu time spent up to now is 89.5 secs Computing kpt #: 227 total cpu time spent up to now is 89.9 secs Computing kpt #: 228 total cpu time spent up to now is 90.3 secs Computing kpt #: 229 total cpu time spent up to now is 90.7 secs Computing kpt #: 230 total cpu time spent up to now is 91.0 secs Computing kpt #: 231 total cpu time spent up to now is 91.4 secs Computing kpt #: 232 total cpu time spent up to now is 91.7 secs Computing kpt #: 233 total cpu time spent up to now is 92.1 secs Computing kpt #: 234 total cpu time spent up to now is 92.5 secs Computing kpt #: 235 total cpu time spent up to now is 92.9 secs Computing kpt #: 236 total cpu time spent up to now is 93.2 secs Computing kpt #: 237 total cpu time spent up to now is 93.6 secs Computing kpt #: 238 total cpu time spent up to now is 93.9 secs Computing kpt #: 239 total cpu time spent up to now is 94.3 secs Computing kpt #: 240 total cpu time spent up to now is 94.7 secs Computing kpt #: 241 total cpu time spent up to now is 95.0 secs Computing kpt #: 242 total cpu time spent up to now is 95.4 secs Computing kpt #: 243 total cpu time spent up to now is 95.7 secs Computing kpt #: 244 total cpu time spent up to now is 96.0 secs Computing kpt #: 245 total cpu time spent up to now is 96.4 secs Computing kpt #: 246 total cpu time spent up to now is 96.7 secs Computing kpt #: 247 total cpu time spent up to now is 97.1 secs Computing kpt #: 248 total cpu time spent up to now is 97.4 secs Computing kpt #: 249 total cpu time spent up to now is 97.7 secs Computing kpt #: 250 total cpu time spent up to now is 98.1 secs Computing kpt #: 251 total cpu time spent up to now is 98.4 secs Computing kpt #: 252 total cpu time spent up to now is 98.7 secs Computing kpt #: 253 total cpu time spent up to now is 99.1 secs Computing kpt #: 254 total cpu time spent up to now is 99.4 secs Computing kpt #: 255 total cpu time spent up to now is 99.7 secs Computing kpt #: 256 total cpu time spent up to now is 100.1 secs Computing kpt #: 257 total cpu time spent up to now is 100.4 secs Computing kpt #: 258 total cpu time spent up to now is 100.7 secs Computing kpt #: 259 total cpu time spent up to now is 101.0 secs Computing kpt #: 260 total cpu time spent up to now is 101.3 secs Computing kpt #: 261 total cpu time spent up to now is 101.7 secs Computing kpt #: 262 total cpu time spent up to now is 102.1 secs Computing kpt #: 263 total cpu time spent up to now is 102.4 secs Computing kpt #: 264 total cpu time spent up to now is 102.7 secs Computing kpt #: 265 total cpu time spent up to now is 103.1 secs Computing kpt #: 266 total cpu time spent up to now is 103.4 secs Computing kpt #: 267 total cpu time spent up to now is 103.8 secs Computing kpt #: 268 total cpu time spent up to now is 104.1 secs Computing kpt #: 269 total cpu time spent up to now is 104.5 secs Computing kpt #: 270 total cpu time spent up to now is 104.9 secs Computing kpt #: 271 total cpu time spent up to now is 105.3 secs Computing kpt #: 272 total cpu time spent up to now is 105.7 secs Computing kpt #: 273 total cpu time spent up to now is 106.1 secs Computing kpt #: 274 total cpu time spent up to now is 106.4 secs Computing kpt #: 275 total cpu time spent up to now is 106.7 secs Computing kpt #: 276 total cpu time spent up to now is 107.1 secs Computing kpt #: 277 total cpu time spent up to now is 107.5 secs Computing kpt #: 278 total cpu time spent up to now is 107.9 secs Computing kpt #: 279 total cpu time spent up to now is 108.3 secs Computing kpt #: 280 total cpu time spent up to now is 108.7 secs Computing kpt #: 281 total cpu time spent up to now is 109.1 secs Computing kpt #: 282 total cpu time spent up to now is 109.6 secs Computing kpt #: 283 total cpu time spent up to now is 110.0 secs Computing kpt #: 284 total cpu time spent up to now is 110.4 secs Computing kpt #: 285 total cpu time spent up to now is 110.9 secs Computing kpt #: 286 total cpu time spent up to now is 111.3 secs Computing kpt #: 287 total cpu time spent up to now is 111.8 secs Computing kpt #: 288 total cpu time spent up to now is 112.2 secs Computing kpt #: 289 total cpu time spent up to now is 112.6 secs Computing kpt #: 290 total cpu time spent up to now is 113.0 secs Computing kpt #: 291 total cpu time spent up to now is 113.4 secs Computing kpt #: 292 total cpu time spent up to now is 113.8 secs Computing kpt #: 293 total cpu time spent up to now is 114.1 secs Computing kpt #: 294 total cpu time spent up to now is 114.5 secs Computing kpt #: 295 total cpu time spent up to now is 114.9 secs Computing kpt #: 296 total cpu time spent up to now is 115.3 secs Computing kpt #: 297 total cpu time spent up to now is 115.8 secs Computing kpt #: 298 total cpu time spent up to now is 116.2 secs Computing kpt #: 299 total cpu time spent up to now is 116.6 secs Computing kpt #: 300 total cpu time spent up to now is 117.0 secs Computing kpt #: 301 total cpu time spent up to now is 117.5 secs Computing kpt #: 302 total cpu time spent up to now is 117.9 secs Computing kpt #: 303 total cpu time spent up to now is 118.3 secs Computing kpt #: 304 total cpu time spent up to now is 118.8 secs Computing kpt #: 305 total cpu time spent up to now is 119.2 secs Computing kpt #: 306 total cpu time spent up to now is 119.6 secs Computing kpt #: 307 total cpu time spent up to now is 119.9 secs Computing kpt #: 308 total cpu time spent up to now is 120.3 secs Computing kpt #: 309 total cpu time spent up to now is 120.7 secs Computing kpt #: 310 total cpu time spent up to now is 121.1 secs Computing kpt #: 311 total cpu time spent up to now is 121.5 secs Computing kpt #: 312 total cpu time spent up to now is 121.9 secs Computing kpt #: 313 total cpu time spent up to now is 122.3 secs Computing kpt #: 314 total cpu time spent up to now is 122.7 secs Computing kpt #: 315 total cpu time spent up to now is 123.1 secs Computing kpt #: 316 total cpu time spent up to now is 123.4 secs Computing kpt #: 317 total cpu time spent up to now is 123.8 secs Computing kpt #: 318 total cpu time spent up to now is 124.1 secs Computing kpt #: 319 total cpu time spent up to now is 124.5 secs Computing kpt #: 320 total cpu time spent up to now is 124.9 secs Computing kpt #: 321 total cpu time spent up to now is 125.3 secs Computing kpt #: 322 total cpu time spent up to now is 125.7 secs Computing kpt #: 323 total cpu time spent up to now is 126.1 secs Computing kpt #: 324 total cpu time spent up to now is 126.5 secs Computing kpt #: 325 total cpu time spent up to now is 126.8 secs Computing kpt #: 326 total cpu time spent up to now is 127.1 secs Computing kpt #: 327 total cpu time spent up to now is 127.5 secs Computing kpt #: 328 total cpu time spent up to now is 127.9 secs Computing kpt #: 329 total cpu time spent up to now is 128.2 secs Computing kpt #: 330 total cpu time spent up to now is 128.6 secs Computing kpt #: 331 total cpu time spent up to now is 128.9 secs Computing kpt #: 332 total cpu time spent up to now is 129.3 secs Computing kpt #: 333 total cpu time spent up to now is 129.7 secs Computing kpt #: 334 total cpu time spent up to now is 130.1 secs Computing kpt #: 335 total cpu time spent up to now is 130.5 secs Computing kpt #: 336 total cpu time spent up to now is 130.9 secs Computing kpt #: 337 total cpu time spent up to now is 131.3 secs Computing kpt #: 338 total cpu time spent up to now is 131.7 secs Computing kpt #: 339 total cpu time spent up to now is 132.1 secs Computing kpt #: 340 total cpu time spent up to now is 132.5 secs Computing kpt #: 341 total cpu time spent up to now is 132.9 secs Computing kpt #: 342 total cpu time spent up to now is 133.2 secs Computing kpt #: 343 total cpu time spent up to now is 133.6 secs Computing kpt #: 344 total cpu time spent up to now is 133.9 secs Computing kpt #: 345 total cpu time spent up to now is 134.3 secs Computing kpt #: 346 total cpu time spent up to now is 134.7 secs ethr = 2.78E-08, avg # of iterations = 17.8 total cpu time spent up to now is 134.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3525 -15.3525 -15.3525 -15.3525 -7.9717 -7.9717 -7.9717 -7.9717 -7.0132 -7.0132 -6.9456 -6.9456 -6.9456 -6.9456 3.3174 3.3174 10.2589 10.2589 10.4093 10.4093 10.4093 10.4093 11.5201 11.5201 11.5201 11.5201 13.8857 13.8857 13.8857 13.8857 13.9438 13.9438 15.8935 15.8935 15.8935 15.8935 17.0453 17.0453 17.8222 17.8222 k = 0.0096-0.0056 0.0079 ( 2109 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3526 -15.3526 -15.3525 -15.3525 -7.9722 -7.9722 -7.9712 -7.9712 -7.0132 -7.0132 -6.9462 -6.9462 -6.9451 -6.9451 3.3190 3.3190 10.2589 10.2589 10.4083 10.4083 10.4103 10.4103 11.5198 11.5198 11.5213 11.5213 13.8838 13.8838 13.8844 13.8844 13.9423 13.9423 15.8819 15.8819 15.8946 15.8946 17.0499 17.0499 17.8266 17.8266 k = 0.0192-0.0111 0.0157 ( 2105 PWs) bands (ev): -48.6422 -48.6422 -23.0104 -23.0104 -15.3526 -15.3526 -15.3525 -15.3525 -7.9728 -7.9728 -7.9708 -7.9708 -7.0133 -7.0133 -6.9467 -6.9467 -6.9446 -6.9446 3.3238 3.3238 10.2585 10.2585 10.4054 10.4054 10.4130 10.4130 11.5202 11.5202 11.5237 11.5237 13.8784 13.8784 13.8798 13.8798 13.9378 13.9378 15.8499 15.8499 15.8952 15.8952 17.0638 17.0638 17.8391 17.8391 k = 0.0288-0.0167 0.0236 ( 2105 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3527 -15.3527 -15.3525 -15.3525 -7.9734 -7.9734 -7.9705 -7.9705 -7.0133 -7.0133 -6.9473 -6.9473 -6.9442 -6.9442 3.3318 3.3318 10.2573 10.2573 10.4011 10.4011 10.4176 10.4176 11.5210 11.5210 11.5273 11.5273 13.8697 13.8697 13.8721 13.8721 13.9304 13.9304 15.7984 15.7984 15.8963 15.8963 17.0869 17.0869 17.8577 17.8577 k = 0.0385-0.0222 0.0314 ( 2105 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3529 -15.3529 -15.3526 -15.3526 -7.9741 -7.9741 -7.9702 -7.9702 -7.0133 -7.0133 -6.9480 -6.9480 -6.9438 -6.9438 3.3429 3.3429 10.2543 10.2543 10.3967 10.3967 10.4239 10.4239 11.5222 11.5222 11.5322 11.5322 13.8578 13.8578 13.8614 13.8614 13.9201 13.9201 15.7298 15.7298 15.8977 15.8977 17.1192 17.1192 17.8799 17.8799 k = 0.0481-0.0278 0.0393 ( 2101 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3530 -15.3530 -15.3525 -15.3525 -7.9748 -7.9748 -7.9700 -7.9700 -7.0133 -7.0133 -6.9486 -6.9486 -6.9435 -6.9435 3.3572 3.3572 10.2482 10.2482 10.3934 10.3934 10.4321 10.4321 11.5238 11.5238 11.5383 11.5383 13.8428 13.8428 13.8479 13.8479 13.9071 13.9071 15.6468 15.6468 15.8996 15.8996 17.1606 17.1606 17.9033 17.9033 k = 0.0577-0.0333 0.0471 ( 2101 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3533 -15.3533 -15.3525 -15.3525 -7.9756 -7.9756 -7.9698 -7.9698 -7.0133 -7.0133 -6.9493 -6.9493 -6.9431 -6.9431 3.3746 3.3746 10.2376 10.2376 10.3928 10.3928 10.4421 10.4421 11.5257 11.5257 11.5457 11.5457 13.8248 13.8248 13.8317 13.8317 13.8915 13.8915 15.5520 15.5520 15.9020 15.9020 17.2105 17.2105 17.9258 17.9258 k = 0.0673-0.0389 0.0550 ( 2109 PWs) bands (ev): -48.6422 -48.6422 -23.0107 -23.0107 -15.3537 -15.3537 -15.3526 -15.3526 -7.9764 -7.9764 -7.9697 -7.9697 -7.0133 -7.0133 -6.9500 -6.9500 -6.9429 -6.9429 3.3952 3.3952 10.2215 10.2215 10.3959 10.3959 10.4539 10.4539 11.5279 11.5279 11.5541 11.5541 13.8039 13.8039 13.8129 13.8129 13.8735 13.8735 15.4481 15.4481 15.9047 15.9047 17.2685 17.2685 17.9462 17.9462 k = 0.0769-0.0444 0.0628 ( 2117 PWs) bands (ev): -48.6422 -48.6422 -23.0109 -23.0109 -15.3541 -15.3541 -15.3527 -15.3527 -7.9773 -7.9773 -7.9697 -7.9697 -7.0134 -7.0134 -6.9508 -6.9508 -6.9427 -6.9427 3.4188 3.4188 10.1998 10.1998 10.4030 10.4030 10.4674 10.4674 11.5305 11.5305 11.5635 11.5635 13.7806 13.7806 13.7919 13.7919 13.8534 13.8534 15.3371 15.3371 15.9079 15.9079 17.3339 17.3339 17.9635 17.9635 k = 0.0865-0.0500 0.0707 ( 2121 PWs) bands (ev): -48.6421 -48.6421 -23.0110 -23.0110 -15.3545 -15.3545 -15.3527 -15.3527 -7.9782 -7.9782 -7.9697 -7.9697 -7.0134 -7.0134 -6.9515 -6.9515 -6.9425 -6.9425 3.4455 3.4455 10.1729 10.1729 10.4141 10.4141 10.4827 10.4827 11.5334 11.5334 11.5740 11.5740 13.7549 13.7549 13.7686 13.7686 13.8313 13.8313 15.2213 15.2213 15.9116 15.9116 17.4061 17.4061 17.9771 17.9771 k = 0.0962-0.0555 0.0785 ( 2121 PWs) bands (ev): -48.6421 -48.6421 -23.0111 -23.0111 -15.3549 -15.3549 -15.3527 -15.3527 -7.9792 -7.9792 -7.9698 -7.9698 -7.0135 -7.0135 -6.9523 -6.9523 -6.9423 -6.9423 3.4752 3.4752 10.1414 10.1414 10.4285 10.4285 10.4997 10.4997 11.5367 11.5367 11.5852 11.5852 13.7272 13.7272 13.7432 13.7432 13.8073 13.8073 15.1024 15.1024 15.9157 15.9157 17.4841 17.4841 17.9863 17.9863 k = 0.1058-0.0611 0.0864 ( 2133 PWs) bands (ev): -48.6421 -48.6421 -23.0114 -23.0114 -15.3555 -15.3555 -15.3529 -15.3529 -7.9802 -7.9802 -7.9700 -7.9700 -7.0135 -7.0135 -6.9531 -6.9531 -6.9422 -6.9422 3.5079 3.5079 10.1059 10.1059 10.4458 10.4458 10.5184 10.5184 11.5402 11.5402 11.5973 11.5973 13.6975 13.6975 13.7158 13.7158 13.7815 13.7815 14.9820 14.9820 15.9203 15.9203 17.5672 17.5672 17.9906 17.9906 k = 0.1154-0.0666 0.0942 ( 2133 PWs) bands (ev): -48.6421 -48.6421 -23.0115 -23.0115 -15.3559 -15.3559 -15.3529 -15.3529 -7.9812 -7.9812 -7.9702 -7.9702 -7.0136 -7.0136 -6.9538 -6.9538 -6.9422 -6.9422 3.5435 3.5435 10.0669 10.0669 10.4658 10.4658 10.5389 10.5389 11.5440 11.5440 11.6099 11.6099 13.6664 13.6664 13.6865 13.6865 13.7539 13.7539 14.8615 14.8615 15.9253 15.9253 17.6541 17.6541 17.9894 17.9894 k = 0.1250-0.0722 0.1021 ( 2133 PWs) bands (ev): -48.6421 -48.6421 -23.0116 -23.0116 -15.3564 -15.3564 -15.3530 -15.3530 -7.9823 -7.9823 -7.9705 -7.9705 -7.0137 -7.0137 -6.9546 -6.9546 -6.9422 -6.9422 3.5820 3.5820 10.0249 10.0249 10.4881 10.4881 10.5610 10.5610 11.5481 11.5481 11.6231 11.6231 13.6338 13.6338 13.6554 13.6554 13.7243 13.7243 14.7424 14.7424 15.9307 15.9307 17.7435 17.7435 17.9826 17.9826 k = 0.1346-0.0777 0.1099 ( 2125 PWs) bands (ev): -48.6421 -48.6421 -23.0117 -23.0117 -15.3568 -15.3568 -15.3530 -15.3530 -7.9833 -7.9833 -7.9708 -7.9708 -7.0137 -7.0137 -6.9554 -6.9554 -6.9422 -6.9422 3.6234 3.6234 9.9802 9.9802 10.5127 10.5127 10.5847 10.5847 11.5524 11.5524 11.6367 11.6367 13.6002 13.6002 13.6224 13.6224 13.6923 13.6923 14.6263 14.6263 15.9365 15.9365 17.8323 17.8323 17.9714 17.9714 k = 0.1442-0.0833 0.1178 ( 2129 PWs) bands (ev): -48.6420 -48.6420 -23.0119 -23.0119 -15.3574 -15.3574 -15.3531 -15.3531 -7.9844 -7.9844 -7.9712 -7.9712 -7.0138 -7.0138 -6.9562 -6.9562 -6.9423 -6.9423 3.6675 3.6675 9.9330 9.9330 10.5392 10.5392 10.6101 10.6101 11.5570 11.5570 11.6505 11.6505 13.5656 13.5656 13.5874 13.5874 13.6576 13.6576 14.5145 14.5145 15.9428 15.9428 17.9022 17.9022 17.9722 17.9722 k = 0.1538-0.0888 0.1256 ( 2129 PWs) bands (ev): -48.6420 -48.6420 -23.0120 -23.0120 -15.3580 -15.3580 -15.3531 -15.3531 -7.9856 -7.9856 -7.9717 -7.9717 -7.0139 -7.0139 -6.9570 -6.9570 -6.9424 -6.9424 3.7143 3.7143 9.8837 9.8837 10.5676 10.5676 10.6370 10.6370 11.5618 11.5618 11.6645 11.6645 13.5303 13.5303 13.5501 13.5501 13.6198 13.6198 14.4089 14.4089 15.9494 15.9494 17.8991 17.8991 18.0366 18.0366 k = 0.1635-0.0944 0.1335 ( 2121 PWs) bands (ev): -48.6420 -48.6420 -23.0121 -23.0121 -15.3585 -15.3585 -15.3531 -15.3531 -7.9867 -7.9867 -7.9722 -7.9722 -7.0140 -7.0140 -6.9577 -6.9577 -6.9425 -6.9425 3.7638 3.7638 9.8325 9.8325 10.5978 10.5978 10.6654 10.6654 11.5668 11.5668 11.6784 11.6784 13.4945 13.4945 13.5096 13.5096 13.5790 13.5790 14.3111 14.3111 15.9565 15.9565 17.8653 17.8653 18.1183 18.1183 k = 0.1731-0.0999 0.1413 ( 2121 PWs) bands (ev): -48.6419 -48.6419 -23.0122 -23.0122 -15.3591 -15.3591 -15.3532 -15.3532 -7.9879 -7.9879 -7.9727 -7.9727 -7.0142 -7.0142 -6.9585 -6.9585 -6.9427 -6.9427 3.8159 3.8159 9.7797 9.7797 10.6297 10.6297 10.6954 10.6954 11.5720 11.5720 11.6923 11.6923 13.4572 13.4572 13.4650 13.4650 13.5360 13.5360 14.2228 14.2228 15.9638 15.9638 17.8208 17.8208 18.1847 18.1847 k = 0.1827-0.1055 0.1492 ( 2117 PWs) bands (ev): -48.6419 -48.6419 -23.0123 -23.0123 -15.3597 -15.3597 -15.3532 -15.3532 -7.9890 -7.9890 -7.9733 -7.9733 -7.0143 -7.0143 -6.9592 -6.9592 -6.9429 -6.9429 3.8704 3.8704 9.7253 9.7253 10.6632 10.6632 10.7267 10.7267 11.5774 11.5774 11.7059 11.7059 13.4083 13.4083 13.4241 13.4241 13.4927 13.4927 14.1453 14.1453 15.9715 15.9715 17.7680 17.7680 18.1966 18.1966 k = 0.1923-0.1110 0.1570 ( 2125 PWs) bands (ev): -48.6419 -48.6419 -23.0126 -23.0126 -15.3604 -15.3604 -15.3533 -15.3533 -7.9902 -7.9902 -7.9740 -7.9740 -7.0144 -7.0144 -6.9600 -6.9600 -6.9432 -6.9432 3.9274 3.9274 9.6696 9.6696 10.6980 10.6980 10.7595 10.7595 11.5829 11.5829 11.7190 11.7190 13.3456 13.3456 13.3875 13.3875 13.4510 13.4510 14.0790 14.0790 15.9796 15.9796 17.7078 17.7078 18.1612 18.1612 k = 0.2019-0.1166 0.1649 ( 2117 PWs) bands (ev): -48.6419 -48.6419 -23.0127 -23.0127 -15.3610 -15.3610 -15.3533 -15.3533 -7.9913 -7.9913 -7.9747 -7.9747 -7.0146 -7.0146 -6.9607 -6.9607 -6.9435 -6.9435 3.9867 3.9867 9.6128 9.6128 10.7343 10.7343 10.7936 10.7936 11.5886 11.5886 11.7316 11.7316 13.2732 13.2732 13.3517 13.3517 13.4115 13.4115 14.0238 14.0238 15.9879 15.9879 17.6409 17.6409 18.1084 18.1084 k = 0.2115-0.1221 0.1727 ( 2121 PWs) bands (ev): -48.6418 -48.6418 -23.0129 -23.0129 -15.3617 -15.3617 -15.3534 -15.3534 -7.9925 -7.9925 -7.9754 -7.9754 -7.0147 -7.0147 -6.9614 -6.9614 -6.9438 -6.9438 4.0482 4.0482 9.5550 9.5550 10.7719 10.7719 10.8290 10.8290 11.5943 11.5943 11.7433 11.7433 13.1932 13.1932 13.3164 13.3164 13.3737 13.3737 13.9786 13.9786 15.9964 15.9964 17.5681 17.5681 18.0456 18.0456 k = 0.2212-0.1277 0.1806 ( 2121 PWs) bands (ev): -48.6418 -48.6418 -23.0131 -23.0131 -15.3623 -15.3623 -15.3535 -15.3535 -7.9937 -7.9937 -7.9762 -7.9762 -7.0149 -7.0149 -6.9620 -6.9620 -6.9442 -6.9442 4.1118 4.1118 9.4963 9.4963 10.8106 10.8106 10.8656 10.8656 11.6001 11.6001 11.7544 11.7544 13.1079 13.1079 13.2817 13.2817 13.3372 13.3372 13.9421 13.9421 16.0051 16.0051 17.4901 17.4901 17.9752 17.9752 k = 0.2308-0.1332 0.1884 ( 2121 PWs) bands (ev): -48.6418 -48.6418 -23.0132 -23.0132 -15.3630 -15.3630 -15.3535 -15.3535 -7.9948 -7.9948 -7.9770 -7.9770 -7.0151 -7.0151 -6.9626 -6.9626 -6.9445 -6.9445 4.1774 4.1774 9.4369 9.4369 10.8503 10.8503 10.9034 10.9034 11.6060 11.6060 11.7644 11.7644 13.0192 13.0192 13.2476 13.2476 13.3019 13.3019 13.9129 13.9129 16.0141 16.0141 17.4075 17.4075 17.8983 17.8983 k = 0.2404-0.1388 0.1963 ( 2141 PWs) bands (ev): -48.6418 -48.6418 -23.0137 -23.0137 -15.3639 -15.3639 -15.3537 -15.3537 -7.9960 -7.9960 -7.9778 -7.9778 -7.0153 -7.0153 -6.9632 -6.9632 -6.9450 -6.9450 4.2450 4.2450 9.3769 9.3769 10.8907 10.8907 10.9421 10.9421 11.6119 11.6119 11.7732 11.7732 12.9288 12.9288 13.2143 13.2143 13.2676 13.2676 13.8896 13.8896 16.0232 16.0232 17.3210 17.3210 17.8161 17.8161 k = 0.2500-0.1443 0.2041 ( 2141 PWs) bands (ev): -48.6417 -48.6417 -23.0138 -23.0138 -15.3645 -15.3645 -15.3538 -15.3538 -7.9971 -7.9971 -7.9787 -7.9787 -7.0155 -7.0155 -6.9638 -6.9638 -6.9454 -6.9454 4.3142 4.3142 9.3164 9.3164 10.9320 10.9320 10.9819 10.9819 11.6179 11.6179 11.7808 11.7808 12.8381 12.8381 13.1821 13.1821 13.2346 13.2346 13.8712 13.8712 16.0324 16.0324 17.2314 17.2314 17.7294 17.7294 k = 0.2596-0.1499 0.2120 ( 2137 PWs) bands (ev): -48.6417 -48.6417 -23.0140 -23.0140 -15.3651 -15.3651 -15.3538 -15.3538 -7.9982 -7.9982 -7.9795 -7.9795 -7.0157 -7.0157 -6.9643 -6.9643 -6.9459 -6.9459 4.3851 4.3851 9.2554 9.2554 10.9739 10.9739 11.0227 11.0227 11.6238 11.6238 11.7870 11.7870 12.7483 12.7483 13.1510 13.1510 13.2026 13.2026 13.8570 13.8570 16.0417 16.0417 17.1391 17.1391 17.6391 17.6391 k = 0.2692-0.1554 0.2198 ( 2121 PWs) bands (ev): -48.6417 -48.6417 -23.0140 -23.0140 -15.3656 -15.3656 -15.3537 -15.3537 -7.9993 -7.9993 -7.9804 -7.9804 -7.0160 -7.0160 -6.9648 -6.9648 -6.9463 -6.9463 4.4575 4.4575 9.1942 9.1942 11.0162 11.0162 11.0642 11.0642 11.6298 11.6298 11.7918 11.7918 12.6600 12.6600 13.1211 13.1211 13.1720 13.1720 13.8463 13.8463 16.0509 16.0509 17.0449 17.0449 17.5461 17.5461 k = 0.2788-0.1610 0.2277 ( 2121 PWs) bands (ev): -48.6416 -48.6416 -23.0141 -23.0141 -15.3663 -15.3663 -15.3538 -15.3538 -8.0003 -8.0003 -7.9813 -7.9813 -7.0162 -7.0162 -6.9653 -6.9653 -6.9469 -6.9469 4.5312 4.5312 9.1327 9.1327 11.0587 11.0587 11.1064 11.1064 11.6357 11.6357 11.7949 11.7949 12.5740 12.5740 13.0925 13.0925 13.1425 13.1425 13.8384 13.8384 16.0601 16.0601 16.9493 16.9493 17.4508 17.4508 k = 0.2885-0.1665 0.2355 ( 2121 PWs) bands (ev): -48.6416 -48.6416 -23.0143 -23.0143 -15.3669 -15.3669 -15.3538 -15.3538 -8.0013 -8.0013 -7.9823 -7.9823 -7.0164 -7.0164 -6.9657 -6.9657 -6.9474 -6.9474 4.6060 4.6060 9.0711 9.0711 11.1013 11.1013 11.1491 11.1491 11.6415 11.6415 11.7964 11.7964 12.4907 12.4907 13.0653 13.0653 13.1144 13.1144 13.8331 13.8331 16.0692 16.0692 16.8529 16.8529 17.3538 17.3538 k = 0.2981-0.1721 0.2434 ( 2133 PWs) bands (ev): -48.6416 -48.6416 -23.0146 -23.0146 -15.3676 -15.3676 -15.3540 -15.3540 -8.0023 -8.0023 -7.9832 -7.9832 -7.0167 -7.0167 -6.9661 -6.9661 -6.9479 -6.9479 4.6818 4.6818 9.0094 9.0094 11.1437 11.1437 11.1921 11.1921 11.6470 11.6470 11.7961 11.7961 12.4106 12.4106 13.0394 13.0394 13.0877 13.0877 13.8301 13.8301 16.0780 16.0780 16.7560 16.7560 17.2532 17.2532 k = 0.3077-0.1776 0.2512 ( 2125 PWs) bands (ev): -48.6416 -48.6416 -23.0147 -23.0147 -15.3681 -15.3681 -15.3540 -15.3540 -8.0033 -8.0033 -7.9841 -7.9841 -7.0170 -7.0170 -6.9664 -6.9664 -6.9484 -6.9484 4.7584 4.7584 8.9478 8.9478 11.1859 11.1859 11.2352 11.2352 11.6525 11.6525 11.7943 11.7943 12.3340 12.3340 13.0153 13.0153 13.0626 13.0626 13.8291 13.8291 16.0865 16.0865 16.6594 16.6594 17.1324 17.1324 k = 0.3173-0.1832 0.2591 ( 2125 PWs) bands (ev): -48.6415 -48.6415 -23.0149 -23.0149 -15.3686 -15.3686 -15.3541 -15.3541 -8.0042 -8.0042 -7.9850 -7.9850 -7.0172 -7.0172 -6.9667 -6.9667 -6.9490 -6.9490 4.8355 4.8355 8.8863 8.8863 11.2276 11.2276 11.2782 11.2782 11.6577 11.6577 11.7908 11.7908 12.2612 12.2612 12.9928 12.9928 13.0390 13.0390 13.8299 13.8299 16.0945 16.0945 16.5634 16.5634 17.0079 17.0079 k = 0.3269-0.1887 0.2669 ( 2125 PWs) bands (ev): -48.6415 -48.6415 -23.0150 -23.0150 -15.3692 -15.3692 -15.3541 -15.3541 -8.0051 -8.0051 -7.9860 -7.9860 -7.0175 -7.0175 -6.9670 -6.9670 -6.9496 -6.9496 4.9129 4.9129 8.8250 8.8250 11.2686 11.2686 11.3209 11.3209 11.6626 11.6626 11.7857 11.7857 12.1925 12.1925 12.9720 12.9720 13.0170 13.0170 13.8322 13.8322 16.1018 16.1018 16.4687 16.4687 16.8878 16.8878 k = 0.3365-0.1943 0.2748 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0152 -23.0152 -15.3698 -15.3698 -15.3542 -15.3542 -8.0059 -8.0059 -7.9869 -7.9869 -7.0177 -7.0177 -6.9672 -6.9672 -6.9501 -6.9501 4.9903 4.9903 8.7641 8.7641 11.3086 11.3086 11.3628 11.3628 11.6670 11.6670 11.7793 11.7793 12.1279 12.1279 12.9530 12.9530 12.9968 12.9968 13.8360 13.8360 16.1082 16.1082 16.3758 16.3758 16.7730 16.7730 k = 0.3462-0.1999 0.2826 ( 2120 PWs) bands (ev): -48.6415 -48.6415 -23.0153 -23.0153 -15.3702 -15.3702 -15.3542 -15.3542 -8.0067 -8.0067 -7.9878 -7.9878 -7.0180 -7.0180 -6.9674 -6.9674 -6.9507 -6.9507 5.0675 5.0675 8.7037 8.7037 11.3476 11.3476 11.4037 11.4037 11.6707 11.6707 11.7720 11.7720 12.0678 12.0678 12.9359 12.9359 12.9784 12.9784 13.8410 13.8410 16.1132 16.1132 16.2853 16.2853 16.6637 16.6637 k = 0.3558-0.2054 0.2905 ( 2120 PWs) bands (ev): -48.6414 -48.6414 -23.0154 -23.0154 -15.3707 -15.3707 -15.3542 -15.3542 -8.0075 -8.0075 -7.9886 -7.9886 -7.0182 -7.0182 -6.9675 -6.9675 -6.9512 -6.9512 5.1441 5.1441 8.6440 8.6440 11.3850 11.3850 11.4433 11.4433 11.6734 11.6734 11.7644 11.7644 12.0122 12.0122 12.9207 12.9207 12.9618 12.9618 13.8470 13.8470 16.1161 16.1161 16.1981 16.1981 16.5602 16.5602 k = 0.3654-0.2110 0.2983 ( 2128 PWs) bands (ev): -48.6414 -48.6414 -23.0156 -23.0156 -15.3712 -15.3712 -15.3543 -15.3543 -8.0082 -8.0082 -7.9895 -7.9895 -7.0185 -7.0185 -6.9676 -6.9676 -6.9518 -6.9518 5.2198 5.2198 8.5850 8.5850 11.4205 11.4205 11.4809 11.4809 11.6747 11.6747 11.7573 11.7573 11.9611 11.9611 12.9073 12.9073 12.9470 12.9470 13.8539 13.8539 16.1044 16.1044 16.1261 16.1261 16.4628 16.4628 k = 0.3750-0.2165 0.3062 ( 2128 PWs) bands (ev): -48.6414 -48.6414 -23.0158 -23.0158 -15.3717 -15.3717 -15.3543 -15.3543 -8.0089 -8.0089 -7.9903 -7.9903 -7.0187 -7.0187 -6.9677 -6.9677 -6.9523 -6.9523 5.2943 5.2943 8.5272 8.5272 11.4536 11.4536 11.5164 11.5164 11.6738 11.6738 11.7519 11.7519 11.9149 11.9149 12.8959 12.8959 12.9340 12.9340 13.8615 13.8615 16.0300 16.0300 16.1169 16.1169 16.3720 16.3720 k = 0.3846-0.2221 0.3140 ( 2128 PWs) bands (ev): -48.6414 -48.6414 -23.0159 -23.0159 -15.3721 -15.3721 -15.3543 -15.3543 -8.0095 -8.0095 -7.9910 -7.9910 -7.0190 -7.0190 -6.9678 -6.9678 -6.9529 -6.9529 5.3670 5.3670 8.4706 8.4706 11.4838 11.4838 11.5490 11.5490 11.6708 11.6708 11.7493 11.7493 11.8734 11.8734 12.8862 12.8862 12.9229 12.9229 13.8697 13.8697 15.9540 15.9540 16.1077 16.1077 16.2883 16.2883 k = 0.3942-0.2276 0.3219 ( 2136 PWs) bands (ev): -48.6414 -48.6414 -23.0161 -23.0161 -15.3725 -15.3725 -15.3545 -15.3545 -8.0100 -8.0100 -7.9918 -7.9918 -7.0192 -7.0192 -6.9678 -6.9678 -6.9534 -6.9534 5.4375 5.4375 8.4157 8.4157 11.5099 11.5099 11.5781 11.5781 11.6661 11.6661 11.7500 11.7500 11.8367 11.8367 12.8784 12.8784 12.9136 12.9136 13.8781 13.8781 15.8823 15.8823 16.0898 16.0898 16.2128 16.2128 k = 0.4038-0.2332 0.3297 ( 2136 PWs) bands (ev): -48.6414 -48.6414 -23.0162 -23.0162 -15.3728 -15.3728 -15.3545 -15.3545 -8.0105 -8.0105 -7.9925 -7.9925 -7.0194 -7.0194 -6.9678 -6.9678 -6.9539 -6.9539 5.5054 5.5054 8.3628 8.3628 11.5306 11.5306 11.6032 11.6032 11.6621 11.6621 11.7534 11.7534 11.8053 11.8053 12.8722 12.8722 12.9060 12.9060 13.8868 13.8868 15.8156 15.8156 16.0596 16.0596 16.1470 16.1470 k = 0.4135-0.2387 0.3376 ( 2128 PWs) bands (ev): -48.6413 -48.6413 -23.0162 -23.0162 -15.3731 -15.3731 -15.3544 -15.3544 -8.0110 -8.0110 -7.9931 -7.9931 -7.0196 -7.0196 -6.9678 -6.9678 -6.9544 -6.9544 5.5699 5.5699 8.3123 8.3123 11.5441 11.5441 11.6238 11.6238 11.6612 11.6612 11.7563 11.7563 11.7821 11.7821 12.8676 12.8676 12.9001 12.9001 13.8955 13.8955 15.7542 15.7542 16.0171 16.0171 16.0904 16.0904 k = 0.4231-0.2443 0.3454 ( 2124 PWs) bands (ev): -48.6413 -48.6413 -23.0162 -23.0162 -15.3734 -15.3734 -15.3544 -15.3544 -8.0114 -8.0114 -7.9937 -7.9937 -7.0198 -7.0198 -6.9677 -6.9677 -6.9548 -6.9548 5.6305 5.6305 8.2646 8.2646 11.5496 11.5496 11.6392 11.6392 11.6647 11.6647 11.7466 11.7466 11.7788 11.7788 12.8644 12.8644 12.8957 12.8957 13.9040 13.9040 15.6984 15.6984 15.9684 15.9684 16.0393 16.0393 k = 0.4327-0.2498 0.3533 ( 2124 PWs) bands (ev): -48.6413 -48.6413 -23.0163 -23.0163 -15.3736 -15.3736 -15.3544 -15.3544 -8.0118 -8.0118 -7.9942 -7.9942 -7.0199 -7.0199 -6.9677 -6.9677 -6.9552 -6.9552 5.6866 5.6866 8.2204 8.2204 11.5485 11.5485 11.6491 11.6491 11.6712 11.6712 11.7322 11.7322 11.7877 11.7877 12.8623 12.8623 12.8927 12.8927 13.9120 13.9120 15.6486 15.6486 15.9204 15.9204 15.9911 15.9911 k = 0.4423-0.2554 0.3611 ( 2132 PWs) bands (ev): -48.6413 -48.6413 -23.0164 -23.0164 -15.3739 -15.3739 -15.3544 -15.3544 -8.0121 -8.0121 -7.9947 -7.9947 -7.0201 -7.0201 -6.9676 -6.9676 -6.9556 -6.9556 5.7373 5.7373 8.1802 8.1802 11.5437 11.5437 11.6523 11.6523 11.6780 11.6780 11.7243 11.7243 11.7987 11.7987 12.8611 12.8611 12.8907 12.8907 13.9195 13.9195 15.6049 15.6049 15.8768 15.8768 15.9459 15.9459 k = 0.4519-0.2609 0.3690 ( 2132 PWs) bands (ev): -48.6413 -48.6413 -23.0165 -23.0165 -15.3741 -15.3741 -15.3545 -15.3545 -8.0124 -8.0124 -7.9951 -7.9951 -7.0202 -7.0202 -6.9676 -6.9676 -6.9559 -6.9559 5.7819 5.7819 8.1447 8.1447 11.5375 11.5375 11.6489 11.6489 11.6837 11.6837 11.7242 11.7242 11.8098 11.8098 12.8606 12.8606 12.8896 12.8896 13.9261 13.9261 15.5677 15.5677 15.8391 15.8391 15.9051 15.9051 k = 0.4615-0.2665 0.3768 ( 2128 PWs) bands (ev): -48.6413 -48.6413 -23.0165 -23.0165 -15.3742 -15.3742 -15.3544 -15.3544 -8.0126 -8.0126 -7.9954 -7.9954 -7.0203 -7.0203 -6.9675 -6.9675 -6.9562 -6.9562 5.8198 5.8198 8.1144 8.1144 11.5316 11.5316 11.6416 11.6416 11.6881 11.6881 11.7288 11.7288 11.8198 11.8198 12.8607 12.8607 12.8892 12.8892 13.9319 13.9319 15.5369 15.5369 15.8080 15.8080 15.8698 15.8698 k = 0.4712-0.2720 0.3847 ( 2128 PWs) bands (ev): -48.6413 -48.6413 -23.0165 -23.0165 -15.3743 -15.3743 -15.3544 -15.3544 -8.0128 -8.0128 -7.9956 -7.9956 -7.0204 -7.0204 -6.9675 -6.9675 -6.9564 -6.9564 5.8501 5.8501 8.0901 8.0901 11.5265 11.5265 11.6338 11.6338 11.6913 11.6913 11.7345 11.7345 11.8280 11.8280 12.8609 12.8609 12.8892 12.8892 13.9365 13.9365 15.5128 15.5128 15.7839 15.7839 15.8410 15.8410 k = 0.4808-0.2776 0.3925 ( 2124 PWs) bands (ev): -48.6413 -48.6413 -23.0165 -23.0165 -15.3744 -15.3744 -15.3545 -15.3545 -8.0129 -8.0129 -7.9958 -7.9958 -7.0204 -7.0204 -6.9674 -6.9674 -6.9566 -6.9566 5.8723 5.8723 8.0723 8.0723 11.5227 11.5227 11.6274 11.6274 11.6935 11.6935 11.7394 11.7394 11.8342 11.8342 12.8612 12.8612 12.8894 12.8894 13.9399 13.9399 15.4956 15.4956 15.7669 15.7669 15.8197 15.8197 k = 0.4904-0.2831 0.4004 ( 2116 PWs) bands (ev): -48.6412 -48.6412 -23.0164 -23.0164 -15.3744 -15.3744 -15.3544 -15.3544 -8.0129 -8.0129 -7.9959 -7.9959 -7.0205 -7.0205 -6.9674 -6.9674 -6.9567 -6.9567 5.8858 5.8858 8.0614 8.0614 11.5205 11.5205 11.6233 11.6233 11.6948 11.6948 11.7426 11.7426 11.8380 11.8380 12.8615 12.8615 12.8896 12.8896 13.9420 13.9420 15.4852 15.4852 15.7568 15.7568 15.8066 15.8066 k = 0.5000-0.2887 0.4082 ( 2100 PWs) bands (ev): -48.6412 -48.6412 -23.0162 -23.0162 -15.3742 -15.3742 -15.3543 -15.3543 -8.0130 -8.0130 -7.9960 -7.9960 -7.0205 -7.0205 -6.9674 -6.9674 -6.9567 -6.9567 5.8903 5.8903 8.0577 8.0577 11.5197 11.5197 11.6220 11.6220 11.6952 11.6952 11.7438 11.7438 11.8393 11.8393 12.8617 12.8617 12.8898 12.8898 13.9428 13.9428 15.4818 15.4818 15.7534 15.7534 15.8022 15.8022 k = 0.5000-0.2887 0.4082 ( 2100 PWs) bands (ev): -48.6412 -48.6412 -23.0162 -23.0162 -15.3742 -15.3742 -15.3543 -15.3543 -8.0130 -8.0130 -7.9960 -7.9960 -7.0205 -7.0205 -6.9674 -6.9674 -6.9567 -6.9567 5.8903 5.8903 8.0577 8.0577 11.5197 11.5197 11.6220 11.6220 11.6952 11.6952 11.7438 11.7438 11.8393 11.8393 12.8617 12.8617 12.8898 12.8898 13.9428 13.9428 15.4818 15.4818 15.7534 15.7534 15.8022 15.8022 k = 0.5000-0.2776 0.4161 ( 2108 PWs) bands (ev): -48.6412 -48.6412 -23.0163 -23.0163 -15.3742 -15.3742 -15.3544 -15.3544 -8.0135 -8.0124 -7.9970 -7.9950 -7.0207 -7.0203 -6.9679 -6.9669 -6.9570 -6.9564 5.8845 5.8961 8.0597 8.0598 11.5128 11.5224 11.5951 11.6264 11.6935 11.6992 11.7244 11.7702 11.8405 11.8478 12.8588 12.8614 12.8829 12.8933 13.9400 13.9484 15.4457 15.5148 15.7206 15.7779 15.7948 15.8244 k = 0.5000-0.2665 0.4240 ( 2120 PWs) bands (ev): -48.6412 -48.6412 -23.0165 -23.0164 -15.3743 -15.3743 -15.3546 -15.3545 -8.0140 -8.0119 -7.9980 -7.9940 -7.0208 -7.0201 -6.9684 -6.9664 -6.9573 -6.9560 5.8787 5.9020 8.0658 8.0659 11.4984 11.5190 11.5633 11.5998 11.6915 11.7080 11.7248 11.7847 11.8585 11.8613 12.8528 12.8570 12.8739 12.8933 13.9404 13.9570 15.4095 15.5404 15.6931 15.7672 15.8261 15.8515 k = 0.5000-0.2554 0.4318 ( 2128 PWs) bands (ev): -48.6413 -48.6413 -23.0167 -23.0165 -15.3743 -15.3743 -15.3547 -15.3546 -8.0145 -8.0113 -7.9990 -7.9931 -7.0210 -7.0199 -6.9690 -6.9660 -6.9576 -6.9557 5.8730 5.9077 8.0759 8.0761 11.4675 11.4976 11.5400 11.5707 11.6893 11.7138 11.7382 11.7878 11.8780 11.8889 12.8441 12.8464 12.8653 12.8899 13.9439 13.9681 15.3748 15.5520 15.6776 15.7564 15.8584 15.8817 k = 0.5000-0.2443 0.4397 ( 2134 PWs) bands (ev): -48.6413 -48.6413 -23.0168 -23.0165 -15.3742 -15.3742 -15.3549 -15.3548 -8.0150 -8.0108 -8.0000 -7.9921 -7.0212 -7.0197 -6.9695 -6.9656 -6.9580 -6.9554 5.8673 5.9135 8.0900 8.0902 11.4192 11.4480 11.5276 11.5598 11.6869 11.7192 11.7532 11.7877 11.8965 11.9219 12.8297 12.8328 12.8576 12.8834 13.9503 13.9816 15.3428 15.5460 15.6779 15.7480 15.8874 15.9122 k = 0.5000-0.2332 0.4475 ( 2138 PWs) bands (ev): -48.6413 -48.6413 -23.0169 -23.0165 -15.3742 -15.3742 -15.3551 -15.3549 -8.0155 -8.0102 -8.0010 -7.9912 -7.0213 -7.0195 -6.9701 -6.9652 -6.9583 -6.9550 5.8617 5.9191 8.1082 8.1084 11.3603 11.3824 11.5199 11.5583 11.6841 11.7253 11.7667 11.7879 11.9158 11.9539 12.8088 12.8189 12.8496 12.8741 13.9595 13.9972 15.3139 15.5282 15.6888 15.7416 15.9125 15.9392 k = 0.5000-0.2221 0.4554 ( 2142 PWs) bands (ev): -48.6413 -48.6413 -23.0170 -23.0165 -15.3741 -15.3741 -15.3553 -15.3551 -8.0160 -8.0097 -8.0020 -7.9903 -7.0214 -7.0192 -6.9706 -6.9648 -6.9586 -6.9547 5.8563 5.9247 8.1304 8.1305 11.2944 11.3087 11.5139 11.5594 11.6809 11.7323 11.7786 11.7893 11.9350 11.9837 12.7850 12.8029 12.8409 12.8625 13.9712 14.0144 15.2883 15.5062 15.7036 15.7370 15.9338 15.9604 k = 0.5000-0.2110 0.4632 ( 2138 PWs) bands (ev): -48.6413 -48.6413 -23.0170 -23.0165 -15.3739 -15.3739 -15.3554 -15.3552 -8.0164 -8.0091 -8.0029 -7.9894 -7.0215 -7.0190 -6.9712 -6.9645 -6.9589 -6.9543 5.8509 5.9302 8.1565 8.1566 11.2229 11.2294 11.5086 11.5614 11.6772 11.7402 11.7891 11.7925 11.9534 12.0110 12.7592 12.7851 12.8314 12.8489 13.9852 14.0330 15.2661 15.4839 15.7194 15.7337 15.9518 15.9753 k = 0.5000-0.1999 0.4711 ( 2138 PWs) bands (ev): -48.6413 -48.6413 -23.0170 -23.0164 -15.3737 -15.3737 -15.3557 -15.3554 -8.0168 -8.0086 -8.0039 -7.9886 -7.0217 -7.0188 -6.9717 -6.9642 -6.9592 -6.9540 5.8458 5.9355 8.1863 8.1868 11.1454 11.1464 11.5036 11.5636 11.6730 11.7490 11.7972 11.7987 11.9707 12.0359 12.7318 12.7658 12.8213 12.8338 14.0010 14.0526 15.2468 15.4627 15.7316 15.7350 15.9669 15.9847 k = 0.5000-0.1887 0.4789 ( 2138 PWs) bands (ev): -48.6413 -48.6413 -23.0170 -23.0164 -15.3735 -15.3735 -15.3559 -15.3557 -8.0172 -8.0081 -8.0048 -7.9878 -7.0218 -7.0185 -6.9722 -6.9640 -6.9596 -6.9536 5.8407 5.9407 8.2200 8.2209 11.0574 11.0656 11.4988 11.5659 11.6684 11.7587 11.8036 11.8076 11.9866 12.0584 12.7035 12.7454 12.8109 12.8174 14.0184 14.0728 15.2304 15.4432 15.7305 15.7503 15.9799 15.9903 k = 0.5000-0.1776 0.4868 ( 2134 PWs) bands (ev): -48.6413 -48.6413 -23.0170 -23.0163 -15.3732 -15.3732 -15.3562 -15.3559 -8.0176 -8.0076 -8.0057 -7.9870 -7.0218 -7.0183 -6.9727 -6.9637 -6.9599 -6.9532 5.8359 5.9457 8.2573 8.2588 10.9660 10.9811 11.4942 11.5682 11.6635 11.7691 11.8116 11.8160 12.0010 12.0785 12.6746 12.7242 12.8001 12.8003 14.0369 14.0933 15.2165 15.4256 15.7301 15.7653 15.9912 15.9931 k = 0.5000-0.1665 0.4946 ( 2134 PWs) bands (ev): -48.6413 -48.6412 -23.0171 -23.0163 -15.3730 -15.3730 -15.3565 -15.3562 -8.0179 -8.0071 -8.0066 -7.9863 -7.0219 -7.0181 -6.9732 -6.9636 -6.9602 -6.9529 5.8313 5.9505 8.2983 8.3006 10.8718 10.8932 11.4897 11.5704 11.6583 11.7803 11.8210 11.8239 12.0139 12.0965 12.6457 12.7027 12.7822 12.7898 14.0562 14.1138 15.2048 15.4098 15.7304 15.7798 15.9941 16.0013 k = 0.5000-0.1554 0.5025 ( 2142 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0164 -15.3728 -15.3728 -15.3569 -15.3565 -8.0183 -8.0075 -8.0066 -7.9856 -7.0220 -7.0179 -6.9737 -6.9634 -6.9605 -6.9525 5.8269 5.9551 8.3429 8.3462 10.7751 10.8025 11.4852 11.5724 11.6530 11.7922 11.8315 11.8316 12.0252 12.1124 12.6169 12.6811 12.7639 12.7793 14.0759 14.1341 15.1950 15.3958 15.7311 15.7940 15.9941 16.0105 k = 0.5000-0.1443 0.5103 ( 2150 PWs) bands (ev): -48.6413 -48.6413 -23.0173 -23.0165 -15.3726 -15.3726 -15.3572 -15.3569 -8.0185 -8.0083 -8.0062 -7.9850 -7.0220 -7.0176 -6.9741 -6.9633 -6.9608 -6.9522 5.8227 5.9595 8.3909 8.3954 10.6764 10.7095 11.4809 11.5744 11.6476 11.8046 11.8388 11.8434 12.0349 12.1262 12.5885 12.6598 12.7455 12.7692 14.0957 14.1538 15.1869 15.3834 15.7321 15.8078 15.9933 16.0190 k = 0.5000-0.1332 0.5182 ( 2150 PWs) bands (ev): -48.6413 -48.6413 -23.0173 -23.0164 -15.3723 -15.3723 -15.3576 -15.3572 -8.0188 -8.0091 -8.0057 -7.9844 -7.0221 -7.0174 -6.9745 -6.9632 -6.9610 -6.9519 5.8187 5.9636 8.4422 8.4482 10.5763 10.6149 11.4767 11.5761 11.6424 11.8176 11.8459 11.8563 12.0432 12.1383 12.5610 12.6390 12.7274 12.7595 14.1152 14.1729 15.1801 15.3725 15.7334 15.8210 15.9922 16.0270 k = 0.5000-0.1221 0.5260 ( 2154 PWs) bands (ev): -48.6413 -48.6413 -23.0174 -23.0165 -15.3721 -15.3720 -15.3580 -15.3575 -8.0190 -8.0099 -8.0053 -7.9838 -7.0221 -7.0172 -6.9749 -6.9631 -6.9613 -6.9515 5.8150 5.9675 8.4965 8.5045 10.4751 10.5192 11.4727 11.5777 11.6373 11.8308 11.8530 11.8700 12.0498 12.1484 12.5343 12.6189 12.7096 12.7504 14.1342 14.1909 15.1745 15.3630 15.7347 15.8335 15.9909 16.0345 k = 0.5000-0.1110 0.5339 ( 2160 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0165 -15.3718 -15.3717 -15.3584 -15.3579 -8.0192 -8.0106 -8.0049 -7.9833 -7.0222 -7.0170 -6.9753 -6.9630 -6.9616 -6.9512 5.8116 5.9710 8.5538 8.5643 10.3734 10.4228 11.4689 11.5791 11.6325 11.8438 11.8603 11.8845 12.0549 12.1568 12.5088 12.5998 12.6925 12.7419 14.1524 14.2079 15.1700 15.3547 15.7361 15.8452 15.9898 16.0417 k = 0.5000-0.0999 0.5417 ( 2158 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0165 -15.3715 -15.3714 -15.3587 -15.3582 -8.0194 -8.0112 -8.0046 -7.9828 -7.0222 -7.0169 -6.9756 -6.9630 -6.9618 -6.9509 5.8085 5.9743 8.6137 8.6273 10.2715 10.3266 11.4654 11.5804 11.6279 11.8555 11.8689 11.8995 12.0585 12.1635 12.4848 12.5820 12.6762 12.7340 14.1696 14.2237 15.1663 15.3475 15.7375 15.8559 15.9889 16.0486 k = 0.5000-0.0888 0.5496 ( 2158 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0165 -15.3712 -15.3711 -15.3590 -15.3585 -8.0196 -8.0118 -8.0043 -7.9824 -7.0222 -7.0167 -6.9759 -6.9629 -6.9620 -6.9507 5.8057 5.9773 8.6759 8.6933 10.1699 10.2311 11.4621 11.5816 11.6237 11.8642 11.8801 11.9149 12.0606 12.1683 12.4623 12.5655 12.6608 12.7270 14.1855 14.2381 15.1633 15.3414 15.7387 15.8656 15.9883 16.0550 k = 0.5000-0.0777 0.5574 ( 2162 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0165 -15.3710 -15.3708 -15.3595 -15.3589 -8.0197 -8.0124 -8.0040 -7.9820 -7.0222 -7.0166 -6.9762 -6.9629 -6.9622 -6.9504 5.8032 5.9800 8.7399 8.7622 10.0690 10.1371 11.4591 11.5826 11.6199 11.8705 11.8932 11.9302 12.0611 12.1714 12.4418 12.5506 12.6467 12.7206 14.2000 14.2510 15.1609 15.3362 15.7399 15.8741 15.9882 16.0610 k = 0.5000-0.0666 0.5653 ( 2158 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0164 -15.3707 -15.3705 -15.3597 -15.3591 -8.0198 -8.0128 -8.0037 -7.9817 -7.0223 -7.0164 -6.9764 -6.9629 -6.9624 -6.9502 5.8010 5.9823 8.8049 8.8336 9.9695 10.0455 11.4565 11.5835 11.6166 11.8756 11.9069 11.9456 12.0603 12.1727 12.4234 12.5375 12.6341 12.7152 14.2129 14.2623 15.1590 15.3318 15.7409 15.8813 15.9884 16.0665 k = 0.5000-0.0555 0.5731 ( 2162 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0165 -15.3705 -15.3703 -15.3600 -15.3594 -8.0199 -8.0133 -8.0035 -7.9814 -7.0223 -7.0163 -6.9766 -6.9629 -6.9625 -6.9501 5.7991 5.9843 8.8698 8.9071 9.8720 9.9578 11.4541 11.5842 11.6137 11.8797 11.9203 11.9603 12.0581 12.1723 12.4075 12.5261 12.6229 12.7104 14.2240 14.2720 15.1576 15.3282 15.7417 15.8872 15.9889 16.0713 k = 0.5000-0.0444 0.5810 ( 2158 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0164 -15.3702 -15.3700 -15.3603 -15.3596 -8.0199 -8.0136 -8.0033 -7.9811 -7.0223 -7.0162 -6.9768 -6.9629 -6.9627 -6.9499 5.7976 5.9860 8.9331 8.9817 9.7775 9.8756 11.4522 11.5848 11.6113 11.8831 11.9331 11.9740 12.0549 12.1707 12.3943 12.5168 12.6135 12.7066 14.2333 14.2800 15.1565 15.3254 15.7424 15.8918 15.9897 16.0754 k = 0.5000-0.0333 0.5888 ( 2160 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0164 -15.3701 -15.3698 -15.3605 -15.3598 -8.0200 -8.0139 -8.0032 -7.9810 -7.0223 -7.0162 -6.9769 -6.9629 -6.9628 -6.9498 5.7964 5.9872 8.9920 9.0559 9.6877 9.8019 11.4507 11.5852 11.6094 11.8858 11.9445 11.9861 12.0510 12.1680 12.3840 12.5095 12.6060 12.7035 14.2406 14.2863 15.1556 15.3232 15.7429 15.8952 15.9905 16.0787 k = 0.5000-0.0222 0.5967 ( 2160 PWs) bands (ev): -48.6413 -48.6413 -23.0177 -23.0164 -15.3699 -15.3697 -15.3607 -15.3600 -8.0200 -8.0141 -8.0031 -7.9808 -7.0223 -7.0161 -6.9770 -6.9629 -6.9628 -6.9497 5.7955 5.9882 9.0421 9.1260 9.6063 9.7411 11.4496 11.5855 11.6080 11.8877 11.9539 11.9956 12.0472 12.1652 12.3766 12.5042 12.6006 12.7014 14.2459 14.2908 15.1551 15.3217 15.7433 15.8976 15.9913 16.0811 k = 0.5000-0.0111 0.6045 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3698 -15.3696 -15.3606 -15.3599 -8.0200 -8.0142 -8.0030 -7.9808 -7.0223 -7.0161 -6.9771 -6.9629 -6.9629 -6.9497 5.7950 5.9887 9.0771 9.1832 9.5424 9.6997 11.4489 11.5858 11.6072 11.8888 11.9603 12.0020 12.0442 12.1630 12.3722 12.5011 12.5973 12.7002 14.2491 14.2935 15.1548 15.3208 15.7435 15.8990 15.9918 16.0826 k = 0.5000-0.0000 0.6124 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3698 -15.3696 -15.3606 -15.3599 -8.0200 -8.0143 -8.0030 -7.9807 -7.0223 -7.0161 -6.9771 -6.9629 -6.9629 -6.9496 5.7949 5.9889 9.0898 9.2075 9.5159 9.6848 11.4487 11.5859 11.6069 11.8892 11.9626 12.0042 12.0430 12.1621 12.3708 12.5000 12.5962 12.6997 14.2501 14.2944 15.1547 15.3205 15.7436 15.8994 15.9920 16.0831 k = 0.5000-0.0000 0.6124 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3698 -15.3696 -15.3606 -15.3599 -8.0200 -8.0143 -8.0030 -7.9807 -7.0223 -7.0161 -6.9771 -6.9629 -6.9629 -6.9496 5.7949 5.9889 9.0898 9.2075 9.5159 9.6848 11.4487 11.5859 11.6069 11.8892 11.9626 12.0042 12.0430 12.1621 12.3708 12.5000 12.5962 12.6997 14.2501 14.2944 15.1547 15.3205 15.7436 15.8994 15.9920 16.0831 k = 0.4934 0.0114 0.6124 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3698 -15.3696 -15.3606 -15.3599 -8.0200 -8.0143 -8.0030 -7.9807 -7.0223 -7.0161 -6.9771 -6.9632 -6.9626 -6.9496 5.7942 5.9880 9.0844 9.1962 9.5287 9.6918 11.4490 11.5860 11.6065 11.8872 11.9617 12.0020 12.0448 12.1631 12.3729 12.5010 12.5969 12.7000 14.2498 14.2943 15.1543 15.3202 15.7386 15.8997 15.9864 16.0965 k = 0.4868 0.0228 0.6124 ( 2154 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0164 -15.3698 -15.3696 -15.3606 -15.3599 -8.0200 -8.0143 -8.0029 -7.9808 -7.0223 -7.0161 -6.9770 -6.9635 -6.9622 -6.9497 5.7925 5.9856 9.0689 9.1672 9.5619 9.7119 11.4500 11.5862 11.6052 11.8810 11.9590 11.9964 12.0493 12.1662 12.3791 12.5038 12.5988 12.7009 14.2489 14.2939 15.1533 15.3193 15.7244 15.8962 15.9817 16.1285 k = 0.4803 0.0342 0.6124 ( 2158 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0164 -15.3699 -15.3697 -15.3606 -15.3599 -8.0200 -8.0143 -8.0027 -7.9809 -7.0223 -7.0161 -6.9769 -6.9638 -6.9619 -6.9497 5.7898 5.9818 9.0459 9.1287 9.6064 9.7427 11.4514 11.5864 11.6036 11.8704 11.9552 11.9893 12.0547 12.1716 12.3884 12.5085 12.6020 12.7024 14.2473 14.2931 15.1518 15.3177 15.7041 15.8801 15.9940 16.1688 k = 0.4737 0.0456 0.6124 ( 2159 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0164 -15.3700 -15.3698 -15.3605 -15.3598 -8.0200 -8.0143 -8.0023 -7.9810 -7.0223 -7.0161 -6.9768 -6.9641 -6.9616 -6.9498 5.7864 5.9770 9.0177 9.0865 9.6562 9.7818 11.4532 11.5859 11.6022 11.8557 11.9504 11.9821 12.0601 12.1791 12.4002 12.5150 12.6066 12.7045 14.2450 14.2919 15.1500 15.3151 15.6811 15.8551 16.0208 16.2130 k = 0.4671 0.0570 0.6124 ( 2159 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0164 -15.3701 -15.3699 -15.3603 -15.3597 -8.0200 -8.0144 -8.0019 -7.9811 -7.0223 -7.0162 -6.9766 -6.9643 -6.9612 -6.9499 5.7824 5.9714 8.9866 9.0434 9.7077 9.8267 11.4550 11.5843 11.6017 11.8372 11.9451 11.9751 12.0654 12.1883 12.4135 12.5233 12.6124 12.7073 14.2420 14.2903 15.1478 15.3111 15.6583 15.8273 16.0556 16.2596 k = 0.4605 0.0684 0.6124 ( 2155 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0164 -15.3702 -15.3700 -15.3602 -15.3596 -8.0200 -8.0146 -8.0014 -7.9813 -7.0222 -7.0162 -6.9764 -6.9646 -6.9609 -6.9499 5.7781 5.9651 8.9541 9.0012 9.7587 9.8757 11.4566 11.5818 11.6023 11.8156 11.9397 11.9685 12.0707 12.1987 12.4272 12.5333 12.6196 12.7108 14.2382 14.2882 15.1451 15.3052 15.6373 15.7997 16.0952 16.3077 k = 0.4539 0.0798 0.6124 ( 2155 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0164 -15.3703 -15.3701 -15.3600 -15.3594 -8.0200 -8.0147 -8.0008 -7.9815 -7.0222 -7.0163 -6.9762 -6.9648 -6.9606 -6.9501 5.7735 5.9585 8.9216 8.9607 9.8082 9.9269 11.4576 11.5790 11.6036 11.7917 11.9343 11.9621 12.0760 12.2096 12.4405 12.5451 12.6280 12.7152 14.2337 14.2856 15.1417 15.2972 15.6194 15.7738 16.1379 16.3569 k = 0.4474 0.0912 0.6124 ( 2153 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3704 -15.3702 -15.3598 -15.3592 -8.0200 -8.0150 -8.0001 -7.9818 -7.0222 -7.0163 -6.9760 -6.9650 -6.9603 -6.9502 5.7689 5.9517 8.8900 8.9225 9.8554 9.9789 11.4579 11.5767 11.6051 11.7662 11.9291 11.9559 12.0814 12.2207 12.4527 12.5583 12.6376 12.7204 14.2285 14.2825 15.1376 15.2867 15.6054 15.7503 16.1829 16.4069 k = 0.4408 0.1026 0.6124 ( 2145 PWs) bands (ev): -48.6413 -48.6413 -23.0174 -23.0162 -15.3705 -15.3703 -15.3595 -15.3590 -8.0199 -8.0152 -7.9994 -7.9821 -7.0222 -7.0164 -6.9758 -6.9652 -6.9599 -6.9503 5.7643 5.9448 8.8599 8.8869 9.9000 10.0305 11.4573 11.5754 11.6065 11.7399 11.9243 11.9500 12.0868 12.2316 12.4633 12.5723 12.6487 12.7265 14.2227 14.2790 15.1327 15.2740 15.5955 15.7296 16.2298 16.4574 k = 0.4342 0.1140 0.6124 ( 2142 PWs) bands (ev): -48.6413 -48.6413 -23.0173 -23.0162 -15.3706 -15.3704 -15.3593 -15.3588 -8.0198 -8.0155 -7.9986 -7.9824 -7.0222 -7.0164 -6.9755 -6.9654 -6.9596 -6.9504 5.7598 5.9381 8.8317 8.8543 9.9416 10.0805 11.4558 11.5752 11.6072 11.7134 11.9198 11.9444 12.0922 12.2421 12.4723 12.5862 12.6609 12.7335 14.2164 14.2750 15.1270 15.2595 15.5895 15.7119 16.2781 16.5080 k = 0.4276 0.1253 0.6124 ( 2144 PWs) bands (ev): -48.6413 -48.6413 -23.0173 -23.0162 -15.3707 -15.3706 -15.3591 -15.3587 -8.0198 -8.0157 -7.9978 -7.9828 -7.0222 -7.0165 -6.9753 -6.9656 -6.9594 -6.9506 5.7555 5.9317 8.8059 8.8247 9.9799 10.1280 11.4539 11.5761 11.6067 11.6879 11.9156 11.9391 12.0973 12.2518 12.4798 12.5992 12.6744 12.7413 14.2098 14.2707 15.1206 15.2439 15.5869 15.6970 16.3276 16.5586 k = 0.4211 0.1367 0.6124 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0173 -23.0162 -15.3708 -15.3707 -15.3589 -15.3585 -8.0197 -8.0160 -7.9970 -7.9833 -7.0222 -7.0166 -6.9751 -6.9658 -6.9591 -6.9507 5.7515 5.9257 8.7827 8.7982 10.0146 10.1722 11.4520 11.5776 11.6038 11.6652 11.9119 11.9344 12.1021 12.2608 12.4859 12.6104 12.6888 12.7498 14.2031 14.2663 15.1138 15.2280 15.5871 15.6850 16.3777 16.6086 k = 0.4145 0.1481 0.6124 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0173 -23.0162 -15.3709 -15.3708 -15.3588 -15.3584 -8.0195 -8.0163 -7.9961 -7.9837 -7.0221 -7.0166 -6.9748 -6.9660 -6.9589 -6.9509 5.7480 5.9203 8.7623 8.7751 10.0455 10.2122 11.4507 11.5783 11.5973 11.6480 11.9086 11.9302 12.1065 12.2688 12.4908 12.6198 12.7035 12.7584 14.1964 14.2618 15.1069 15.2125 15.5894 15.6752 16.4279 16.6572 k = 0.4079 0.1595 0.6124 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0161 -15.3710 -15.3709 -15.3586 -15.3583 -8.0194 -8.0166 -7.9953 -7.9842 -7.0221 -7.0167 -6.9746 -6.9661 -6.9586 -6.9510 5.7449 5.9155 8.7450 8.7554 10.0722 10.2474 11.4506 11.5721 11.5915 11.6381 11.9058 11.9265 12.1104 12.2757 12.4947 12.6271 12.7179 12.7669 14.1901 14.2574 15.1002 15.1983 15.5929 15.6675 16.4774 16.7035 k = 0.4013 0.1709 0.6124 ( 2142 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3710 -15.3710 -15.3585 -15.3583 -8.0193 -8.0169 -7.9946 -7.9846 -7.0221 -7.0167 -6.9744 -6.9662 -6.9585 -6.9511 5.7423 5.9115 8.7307 8.7391 10.0944 10.2772 11.4522 11.5557 11.5919 11.6333 11.9035 11.9235 12.1136 12.2815 12.4977 12.6327 12.7308 12.7747 14.1845 14.2535 15.0942 15.1859 15.5972 15.6614 16.5250 16.7458 k = 0.3947 0.1823 0.6124 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3711 -15.3711 -15.3584 -15.3582 -8.0191 -8.0171 -7.9940 -7.9851 -7.0221 -7.0167 -6.9743 -6.9663 -6.9583 -6.9512 5.7402 5.9083 8.7195 8.7263 10.1121 10.3010 11.4560 11.5365 11.5941 11.6308 11.9017 11.9211 12.1162 12.2860 12.5000 12.6368 12.7418 12.7814 14.1798 14.2501 15.0892 15.1757 15.6015 15.6566 16.5686 16.7817 k = 0.3882 0.1937 0.6124 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3712 -15.3711 -15.3583 -15.3581 -8.0190 -8.0173 -7.9934 -7.9854 -7.0221 -7.0168 -6.9742 -6.9664 -6.9582 -6.9513 5.7387 5.9060 8.7116 8.7170 10.1248 10.3184 11.4621 11.5180 11.5962 11.6295 11.9004 11.9194 12.1182 12.2893 12.5016 12.6396 12.7500 12.7865 14.1762 14.2475 15.0853 15.1682 15.6053 15.6530 16.6052 16.8085 k = 0.3816 0.2051 0.6124 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3712 -15.3711 -15.3583 -15.3581 -8.0189 -8.0175 -7.9931 -7.9857 -7.0221 -7.0168 -6.9741 -6.9664 -6.9581 -6.9513 5.7378 5.9046 8.7070 8.7113 10.1325 10.3290 11.4702 11.5020 11.5977 11.6288 11.8996 11.9184 12.1193 12.2913 12.5025 12.6412 12.7552 12.7897 14.1740 14.2459 15.0830 15.1636 15.6079 15.6507 16.6303 16.8245 k = 0.3750 0.2165 0.6124 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3712 -15.3712 -15.3582 -15.3581 -8.0189 -8.0175 -7.9930 -7.9858 -7.0221 -7.0168 -6.9741 -6.9665 -6.9581 -6.9513 5.7375 5.9041 8.7054 8.7094 10.1351 10.3325 11.4763 11.4932 11.5982 11.6286 11.8993 11.9181 12.1197 12.2920 12.5028 12.6417 12.7569 12.7908 14.1732 14.2453 15.0822 15.1621 15.6089 15.6499 16.6395 16.8296 k = 0.3750 0.2165 0.6124 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3712 -15.3712 -15.3582 -15.3581 -8.0189 -8.0175 -7.9930 -7.9858 -7.0221 -7.0168 -6.9741 -6.9665 -6.9581 -6.9513 5.7375 5.9041 8.7054 8.7094 10.1351 10.3325 11.4763 11.4932 11.5982 11.6286 11.8993 11.9181 12.1197 12.2920 12.5028 12.6417 12.7569 12.7908 14.1732 14.2453 15.0822 15.1621 15.6089 15.6499 16.6395 16.8296 k = 0.3682 0.2126 0.6012 ( 2143 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3710 -15.3709 -15.3585 -15.3583 -8.0195 -8.0174 -7.9918 -7.9857 -7.0221 -7.0166 -6.9740 -6.9667 -6.9580 -6.9510 5.7196 5.8894 8.7728 8.7775 10.0496 10.2488 11.4552 11.4677 11.6036 11.6376 11.9162 11.9357 12.1285 12.2893 12.5085 12.6366 12.7513 12.7850 14.1940 14.2690 15.0412 15.1291 15.6395 15.6848 16.6629 16.8577 k = 0.3614 0.2086 0.5901 ( 2143 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0161 -15.3707 -15.3706 -15.3586 -15.3585 -8.0200 -8.0172 -7.9907 -7.9858 -7.0221 -7.0165 -6.9739 -6.9670 -6.9580 -6.9507 5.6995 5.8717 8.8425 8.8479 9.9682 10.1678 11.4318 11.4413 11.6114 11.6474 11.9332 11.9531 12.1361 12.2835 12.5181 12.6333 12.7466 12.7800 14.2157 14.2938 15.0006 15.0941 15.6754 15.7228 16.6803 16.8796 k = 0.3545 0.2047 0.5790 ( 2143 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0161 -15.3705 -15.3704 -15.3587 -15.3587 -8.0205 -8.0170 -7.9895 -7.9858 -7.0220 -7.0164 -6.9737 -6.9673 -6.9579 -6.9504 5.6772 5.8507 8.9141 8.9202 9.8914 10.0902 11.4070 11.4140 11.6210 11.6578 11.9503 11.9700 12.1428 12.2756 12.5304 12.6317 12.7429 12.7759 14.2384 14.3198 14.9605 15.0579 15.7159 15.7639 16.6917 16.8956 k = 0.3477 0.2008 0.5678 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0171 -23.0160 -15.3702 -15.3701 -15.3588 -15.3588 -8.0209 -8.0168 -7.9883 -7.9859 -7.0220 -7.0163 -6.9735 -6.9675 -6.9579 -6.9501 5.6525 5.8263 8.9873 8.9942 9.8198 10.0168 11.3809 11.3861 11.6320 11.6687 11.9671 11.9858 12.1490 12.2665 12.5447 12.6318 12.7406 12.7729 14.2622 14.3471 14.9211 15.0210 15.7603 15.8078 16.6976 16.9063 k = 0.3409 0.1968 0.5567 ( 2125 PWs) bands (ev): -48.6413 -48.6413 -23.0169 -23.0158 -15.3699 -15.3698 -15.3588 -15.3587 -8.0211 -8.0165 -7.9872 -7.9861 -7.0219 -7.0162 -6.9732 -6.9677 -6.9579 -6.9498 5.6251 5.7983 9.0615 9.0692 9.7542 9.9483 11.3541 11.3578 11.6441 11.6798 11.9835 12.0001 12.1551 12.2571 12.5603 12.6334 12.7398 12.7714 14.2873 14.3755 14.8828 14.9840 15.8083 15.8545 16.6984 16.9119 k = 0.3341 0.1929 0.5456 ( 2121 PWs) bands (ev): -48.6413 -48.6413 -23.0168 -23.0157 -15.3697 -15.3696 -15.3588 -15.3587 -8.0213 -8.0162 -7.9862 -7.9860 -7.0219 -7.0161 -6.9728 -6.9679 -6.9579 -6.9494 5.5950 5.7665 9.1360 9.1444 9.6955 9.8856 11.3266 11.3289 11.6570 11.6910 11.9989 12.0122 12.1616 12.2478 12.5767 12.6365 12.7407 12.7713 14.3135 14.4050 14.8460 14.9473 15.8592 15.9036 16.6948 16.9132 k = 0.3273 0.1890 0.5344 ( 2127 PWs) bands (ev): -48.6413 -48.6413 -23.0168 -23.0157 -15.3696 -15.3695 -15.3589 -15.3587 -8.0214 -8.0158 -7.9864 -7.9848 -7.0218 -7.0160 -6.9724 -6.9680 -6.9579 -6.9491 5.5620 5.7310 9.2094 9.2180 9.6453 9.8301 11.2987 11.2997 11.6705 11.7021 12.0129 12.0217 12.1685 12.2391 12.5934 12.6410 12.7437 12.7731 14.3409 14.4351 14.8114 14.9113 15.9127 15.9549 16.6873 16.9109 k = 0.3205 0.1850 0.5233 ( 2139 PWs) bands (ev): -48.6414 -48.6413 -23.0169 -23.0158 -15.3696 -15.3694 -15.3590 -15.3588 -8.0213 -8.0154 -7.9866 -7.9837 -7.0217 -7.0159 -6.9720 -6.9682 -6.9580 -6.9487 5.5262 5.6917 9.2799 9.2868 9.6070 9.7838 11.2702 11.2703 11.6844 11.7129 12.0253 12.0285 12.1761 12.2312 12.6104 12.6470 12.7491 12.7770 14.3694 14.4649 14.7800 14.8765 15.9684 16.0079 16.6769 16.9057 k = 0.3136 0.1811 0.5122 ( 2139 PWs) bands (ev): -48.6414 -48.6413 -23.0168 -23.0157 -15.3694 -15.3693 -15.3589 -15.3587 -8.0211 -8.0150 -7.9868 -7.9825 -7.0216 -7.0158 -6.9715 -6.9683 -6.9580 -6.9483 5.4873 5.6485 9.3430 9.3436 9.5880 9.7504 11.2406 11.2418 11.6985 11.7233 12.0329 12.0358 12.1841 12.2248 12.6276 12.6547 12.7573 12.7832 14.3987 14.4928 14.7538 14.8434 16.0257 16.0622 16.6646 16.8985 k = 0.3068 0.1771 0.5010 ( 2147 PWs) bands (ev): -48.6414 -48.6414 -23.0169 -23.0158 -15.3694 -15.3692 -15.3589 -15.3586 -8.0209 -8.0145 -7.9870 -7.9814 -7.0215 -7.0157 -6.9709 -6.9684 -6.9580 -6.9479 5.4455 5.6016 9.3742 9.3944 9.6005 9.7358 11.2109 11.2130 11.7124 11.7329 12.0351 12.0440 12.1919 12.2197 12.6448 12.6641 12.7685 12.7919 14.4283 14.5154 14.7363 14.8129 16.0841 16.1168 16.6519 16.8906 k = 0.3000 0.1732 0.4899 ( 2147 PWs) bands (ev): -48.6414 -48.6414 -23.0168 -23.0157 -15.3693 -15.3691 -15.3587 -15.3584 -8.0205 -8.0140 -7.9872 -7.9803 -7.0213 -7.0157 -6.9704 -6.9684 -6.9581 -6.9475 5.4007 5.5511 9.3782 9.4252 9.6465 9.7471 11.1811 11.1843 11.7259 11.7417 12.0359 12.0499 12.1991 12.2165 12.6619 12.6752 12.7833 12.8034 14.4573 14.5279 14.7325 14.7861 16.1426 16.1706 16.6405 16.8830 k = 0.2932 0.1693 0.4788 ( 2141 PWs) bands (ev): -48.6414 -48.6414 -23.0166 -23.0155 -15.3691 -15.3689 -15.3586 -15.3582 -8.0200 -8.0134 -7.9874 -7.9792 -7.0212 -7.0156 -6.9697 -6.9685 -6.9581 -6.9471 5.3530 5.4972 9.3684 9.4348 9.7119 9.7850 11.1514 11.1556 11.7386 11.7493 12.0358 12.0534 12.2051 12.2151 12.6791 12.6882 12.8017 12.8180 14.4839 14.5270 14.7457 14.7649 16.2003 16.2215 16.6331 16.8775 k = 0.2864 0.1653 0.4676 ( 2141 PWs) bands (ev): -48.6414 -48.6414 -23.0165 -23.0155 -15.3689 -15.3688 -15.3584 -15.3579 -8.0194 -8.0128 -7.9876 -7.9781 -7.0210 -7.0155 -6.9691 -6.9685 -6.9582 -6.9467 5.3026 5.4400 9.3555 9.4304 9.7857 9.8420 11.1218 11.1270 11.7503 11.7556 12.0355 12.0545 12.2095 12.2155 12.6961 12.7027 12.8238 12.8359 14.5055 14.5148 14.7521 14.7738 16.2559 16.2665 16.6332 16.8758 k = 0.2795 0.1614 0.4565 ( 2141 PWs) bands (ev): -48.6414 -48.6414 -23.0164 -23.0154 -15.3688 -15.3687 -15.3582 -15.3577 -8.0186 -8.0122 -7.9878 -7.9770 -7.0209 -7.0154 -6.9684 -6.9684 -6.9582 -6.9462 5.2495 5.3798 9.3441 9.4202 9.8625 9.9095 11.0923 11.0985 11.7603 11.7604 12.0354 12.0534 12.2124 12.2178 12.7133 12.7187 12.8495 12.8574 14.4961 14.5187 14.7510 14.8119 16.3022 16.3078 16.6451 16.8801 k = 0.2727 0.1575 0.4454 ( 2129 PWs) bands (ev): -48.6414 -48.6414 -23.0161 -23.0152 -15.3685 -15.3684 -15.3579 -15.3574 -8.0178 -8.0115 -7.9879 -7.9760 -7.0207 -7.0153 -6.9684 -6.9677 -6.9583 -6.9458 5.1939 5.3168 9.3360 9.4090 9.9399 9.9819 11.0630 11.0703 11.7636 11.7687 12.0359 12.0505 12.2143 12.2222 12.7308 12.7359 12.8789 12.8829 14.4745 14.5215 14.7636 14.8563 16.3262 16.3544 16.6721 16.8925 k = 0.2659 0.1535 0.4342 ( 2133 PWs) bands (ev): -48.6415 -48.6414 -23.0161 -23.0151 -15.3684 -15.3683 -15.3577 -15.3571 -8.0169 -8.0108 -7.9881 -7.9750 -7.0205 -7.0153 -6.9683 -6.9669 -6.9583 -6.9453 5.1359 5.2514 9.3318 9.3996 10.0165 10.0560 11.0339 11.0424 11.7651 11.7748 12.0369 12.0455 12.2155 12.2289 12.7486 12.7538 12.9117 12.9122 14.4519 14.5151 14.7885 14.9044 16.3390 16.3942 16.7141 16.9152 k = 0.2591 0.1496 0.4231 ( 2129 PWs) bands (ev): -48.6415 -48.6414 -23.0159 -23.0150 -15.3681 -15.3680 -15.3574 -15.3569 -8.0159 -8.0100 -7.9882 -7.9740 -7.0203 -7.0152 -6.9682 -6.9661 -6.9583 -6.9449 5.0759 5.1839 9.3318 9.3931 10.0911 10.1298 11.0051 11.0149 11.7649 11.7785 12.0381 12.0388 12.2175 12.2383 12.7669 12.7724 12.9456 12.9476 14.4298 14.5029 14.8221 14.9546 16.3444 16.4268 16.7684 16.9490 k = 0.2523 0.1456 0.4120 ( 2135 PWs) bands (ev): -48.6415 -48.6415 -23.0158 -23.0149 -15.3680 -15.3679 -15.3572 -15.3566 -8.0147 -8.0092 -7.9883 -7.9731 -7.0200 -7.0151 -6.9680 -6.9654 -6.9583 -6.9444 5.0141 5.1146 9.3360 9.3901 10.1629 10.2019 10.9766 10.9877 11.7632 11.7799 12.0302 12.0388 12.2215 12.2507 12.7859 12.7916 12.9826 12.9865 14.4086 14.4878 14.8613 15.0056 16.3469 16.4528 16.8315 16.9939 k = 0.2455 0.1417 0.4008 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0156 -23.0147 -15.3677 -15.3676 -15.3569 -15.3563 -8.0135 -8.0084 -7.9884 -7.9722 -7.0198 -7.0150 -6.9678 -6.9646 -6.9583 -6.9439 4.9506 5.0438 9.3442 9.3910 10.2311 10.2712 10.9485 10.9611 11.7600 11.7791 12.0200 12.0378 12.2295 12.2669 12.8056 12.8115 13.0232 13.0282 14.3888 14.4718 14.9036 15.0562 16.3503 16.4744 16.9005 17.0484 k = 0.2386 0.1378 0.3897 ( 2125 PWs) bands (ev): -48.6415 -48.6415 -23.0154 -23.0146 -15.3674 -15.3673 -15.3566 -15.3560 -8.0122 -8.0075 -7.9884 -7.9714 -7.0196 -7.0149 -6.9676 -6.9637 -6.9583 -6.9435 4.8858 4.9718 9.3563 9.3957 10.2950 10.3368 10.9208 10.9351 11.7554 11.7761 12.0080 12.0341 12.2428 12.2871 12.8261 12.8320 13.0670 13.0724 14.3707 14.4560 14.9474 15.1051 16.3574 16.4938 16.9735 17.1105 k = 0.2318 0.1338 0.3786 ( 2127 PWs) bands (ev): -48.6416 -48.6415 -23.0153 -23.0145 -15.3671 -15.3671 -15.3564 -15.3557 -8.0109 -8.0065 -7.9884 -7.9706 -7.0193 -7.0148 -6.9673 -6.9629 -6.9583 -6.9430 4.8198 4.8989 9.3720 9.4041 10.3537 10.3979 10.8935 10.9097 11.7496 11.7714 11.9944 12.0269 12.2627 12.3118 12.8473 12.8533 13.1135 13.1187 14.3546 14.4413 14.9914 15.1511 16.3705 16.5134 17.0492 17.1782 k = 0.2250 0.1299 0.3674 ( 2127 PWs) bands (ev): -48.6416 -48.6416 -23.0151 -23.0144 -15.3668 -15.3668 -15.3561 -15.3555 -8.0094 -8.0056 -7.9884 -7.9698 -7.0190 -7.0147 -6.9671 -6.9621 -6.9582 -6.9426 4.7531 4.8255 9.3911 9.4163 10.4067 10.4538 10.8667 10.8851 11.7429 11.7653 11.9793 12.0163 12.2895 12.3413 12.8696 12.8755 13.1623 13.1669 14.3408 14.4283 15.0347 15.1932 16.3914 16.5352 17.1265 17.2498 k = 0.2182 0.1260 0.3563 ( 2121 PWs) bands (ev): -48.6416 -48.6416 -23.0149 -23.0142 -15.3663 -15.3663 -15.3559 -15.3552 -8.0079 -8.0046 -7.9884 -7.9691 -7.0187 -7.0146 -6.9667 -6.9612 -6.9582 -6.9421 4.6858 4.7518 9.4133 9.4320 10.4534 10.5037 10.8404 10.8614 11.7353 11.7579 11.9630 12.0027 12.3231 12.3760 12.8929 12.8988 13.2132 13.2168 14.3293 14.4173 15.0764 15.2304 16.4212 16.5608 17.2048 17.3238 k = 0.2114 0.1220 0.3452 ( 2121 PWs) bands (ev): -48.6416 -48.6416 -23.0147 -23.0140 -15.3660 -15.3660 -15.3556 -15.3549 -8.0064 -8.0035 -7.9883 -7.9684 -7.0185 -7.0145 -6.9664 -6.9604 -6.9580 -6.9417 4.6181 4.6781 9.4384 9.4509 10.4933 10.5473 10.8147 10.8388 11.7270 11.7497 11.9454 11.9866 12.3633 12.4159 12.9172 12.9232 13.2655 13.2678 14.3206 14.4087 15.1159 15.2623 16.4604 16.5912 17.2832 17.3987 k = 0.2045 0.1181 0.3340 ( 2133 PWs) bands (ev): -48.6417 -48.6416 -23.0147 -23.0141 -15.3657 -15.3657 -15.3555 -15.3548 -8.0048 -8.0024 -7.9881 -7.9678 -7.0182 -7.0144 -6.9660 -6.9596 -6.9579 -6.9412 4.5504 4.6047 9.4661 9.4729 10.5259 10.5841 10.7898 10.8174 11.7181 11.7406 11.9269 11.9684 12.4095 12.4610 12.9425 12.9487 13.3189 13.3197 14.3148 14.4029 15.1527 15.2888 16.5089 16.6271 17.3612 17.4736 k = 0.1977 0.1142 0.3229 ( 2133 PWs) bands (ev): -48.6417 -48.6417 -23.0145 -23.0139 -15.3653 -15.3652 -15.3553 -15.3545 -8.0031 -8.0013 -7.9880 -7.9672 -7.0179 -7.0143 -6.9656 -6.9587 -6.9578 -6.9408 4.4829 4.5318 9.4962 9.4978 10.5510 10.6138 10.7658 10.7975 11.7088 11.7311 11.9076 11.9488 12.4614 12.5115 12.9691 12.9756 13.3721 13.3729 14.3123 14.4003 15.1867 15.3102 16.5662 16.6687 17.4381 17.5474 k = 0.1909 0.1102 0.3118 ( 2133 PWs) bands (ev): -48.6417 -48.6417 -23.0143 -23.0138 -15.3648 -15.3648 -15.3551 -15.3543 -8.0015 -8.0002 -7.9878 -7.9667 -7.0176 -7.0143 -6.9652 -6.9579 -6.9576 -6.9405 4.4157 4.4596 9.5254 9.5285 10.5687 10.6361 10.7432 10.7792 11.6992 11.7212 11.8878 11.9281 12.5184 12.5668 12.9967 13.0039 13.4243 13.4268 14.3136 14.4013 15.2179 15.3271 16.6310 16.7156 17.5134 17.6193 k = 0.1841 0.1063 0.3006 ( 2125 PWs) bands (ev): -48.6417 -48.6417 -23.0140 -23.0135 -15.3643 -15.3642 -15.3548 -15.3541 -7.9998 -7.9990 -7.9875 -7.9662 -7.0173 -7.0142 -6.9647 -6.9574 -6.9571 -6.9401 4.3492 4.3884 9.5553 9.5626 10.5791 10.6501 10.7231 10.7626 11.6895 11.7111 11.8676 11.9067 12.5798 12.6268 13.0257 13.0336 13.4759 13.4800 14.3192 14.4063 15.2463 15.3405 16.7019 16.7675 17.5862 17.6883 k = 0.1773 0.1023 0.2895 ( 2121 PWs) bands (ev): -48.6417 -48.6417 -23.0138 -23.0133 -15.3637 -15.3636 -15.3546 -15.3539 -7.9980 -7.9978 -7.9872 -7.9658 -7.0170 -7.0141 -6.9642 -6.9571 -6.9562 -6.9398 4.2835 4.3184 9.5873 9.5984 10.5827 10.6541 10.7076 10.7476 11.6796 11.7007 11.8470 11.8847 12.6450 12.6908 13.0558 13.0649 13.5261 13.5318 14.3296 14.4160 15.2724 15.3512 16.7771 16.8233 17.6559 17.7538 k = 0.1705 0.0984 0.2784 ( 2121 PWs) bands (ev): -48.6418 -48.6418 -23.0136 -23.0132 -15.3632 -15.3631 -15.3544 -15.3537 -7.9965 -7.9963 -7.9869 -7.9654 -7.0167 -7.0140 -6.9637 -6.9568 -6.9554 -6.9395 4.2189 4.2498 9.6212 9.6356 10.5805 10.6465 10.6987 10.7337 11.6696 11.6903 11.8263 11.8625 12.7133 12.7581 13.0871 13.0978 13.5744 13.5814 14.3456 14.4309 15.2967 15.3604 16.8549 16.8820 17.7217 17.8151 k = 0.1636 0.0945 0.2672 ( 2125 PWs) bands (ev): -48.6418 -48.6418 -23.0134 -23.0131 -15.3627 -15.3625 -15.3543 -15.3536 -7.9953 -7.9946 -7.9866 -7.9651 -7.0164 -7.0139 -6.9631 -6.9565 -6.9546 -6.9392 4.1554 4.1826 9.6567 9.6739 10.5736 10.6311 10.6933 10.7203 11.6596 11.6798 11.8056 11.8401 12.7838 12.8282 13.1196 13.1322 13.6200 13.6279 14.3678 14.4515 15.3196 15.3688 16.9335 16.9423 17.7827 17.8720 k = 0.1568 0.0905 0.2561 ( 2121 PWs) bands (ev): -48.6418 -48.6418 -23.0132 -23.0129 -15.3621 -15.3619 -15.3542 -15.3534 -7.9940 -7.9929 -7.9862 -7.9649 -7.0161 -7.0139 -6.9626 -6.9562 -6.9539 -6.9390 4.0933 4.1172 9.6935 9.7131 10.5633 10.6126 10.6873 10.7067 11.6497 11.6693 11.7851 11.8179 12.8557 12.9002 13.1534 13.1685 13.6622 13.6705 14.3968 14.4784 15.3417 15.3773 17.0030 17.0110 17.8382 17.9241 k = 0.1500 0.0866 0.2449 ( 2129 PWs) bands (ev): -48.6419 -48.6419 -23.0131 -23.0128 -15.3616 -15.3615 -15.3541 -15.3533 -7.9927 -7.9912 -7.9858 -7.9646 -7.0158 -7.0138 -6.9620 -6.9558 -6.9531 -6.9388 4.0328 4.0536 9.7314 9.7529 10.5507 10.5933 10.6789 10.6925 11.6398 11.6590 11.7648 11.7959 12.9281 12.9733 13.1883 13.2065 13.7005 13.7087 14.4332 14.5121 15.3636 15.3865 17.0625 17.0860 17.8871 17.9712 k = 0.1432 0.0827 0.2338 ( 2119 PWs) bands (ev): -48.6419 -48.6419 -23.0128 -23.0125 -15.3609 -15.3607 -15.3539 -15.3532 -7.9914 -7.9896 -7.9853 -7.9645 -7.0156 -7.0138 -6.9613 -6.9554 -6.9523 -6.9386 3.9740 3.9920 9.7702 9.7932 10.5366 10.5739 10.6681 10.6773 11.6302 11.6488 11.7449 11.7742 13.0003 13.0470 13.2245 13.2465 13.7347 13.7423 14.4769 14.5527 15.3858 15.3970 17.1197 17.1569 17.9286 18.0135 k = 0.1364 0.0787 0.2227 ( 2119 PWs) bands (ev): -48.6419 -48.6419 -23.0126 -23.0124 -15.3603 -15.3602 -15.3538 -15.3531 -7.9901 -7.9879 -7.9849 -7.9644 -7.0153 -7.0137 -6.9607 -6.9549 -6.9516 -6.9385 3.9171 3.9326 9.8095 9.8337 10.5217 10.5548 10.6550 10.6612 11.6207 11.6387 11.7254 11.7531 13.0711 13.1204 13.2617 13.2884 13.7644 13.7710 14.5281 14.6002 15.4087 15.4094 17.1733 17.2223 17.9617 18.0509 k = 0.1295 0.0748 0.2115 ( 2123 PWs) bands (ev): -48.6419 -48.6419 -23.0125 -23.0123 -15.3598 -15.3596 -15.3537 -15.3530 -7.9888 -7.9864 -7.9843 -7.9644 -7.0151 -7.0137 -6.9600 -6.9545 -6.9509 -6.9384 3.8621 3.8753 9.8490 9.8740 10.5063 10.5363 10.6400 10.6441 11.6114 11.6289 11.7065 11.7325 13.1399 13.1926 13.3000 13.3324 13.7899 13.7952 14.5861 14.6543 15.4239 15.4326 17.2221 17.2812 17.9857 18.0834 k = 0.1227 0.0709 0.2004 ( 2123 PWs) bands (ev): -48.6420 -48.6420 -23.0123 -23.0121 -15.3592 -15.3590 -15.3535 -15.3529 -7.9875 -7.9848 -7.9838 -7.9644 -7.0148 -7.0136 -6.9593 -6.9540 -6.9503 -6.9384 3.8092 3.8204 9.8886 9.9140 10.4910 10.5184 10.6235 10.6263 11.6025 11.6193 11.6882 11.7125 13.2059 13.2632 13.3393 13.3784 13.8115 13.8155 14.6503 14.7146 15.4408 15.4579 17.2654 17.3327 18.0002 18.1113 k = 0.1159 0.0669 0.1893 ( 2123 PWs) bands (ev): -48.6420 -48.6420 -23.0122 -23.0120 -15.3586 -15.3585 -15.3535 -15.3528 -7.9862 -7.9834 -7.9832 -7.9644 -7.0146 -7.0136 -6.9586 -6.9535 -6.9496 -6.9384 3.7586 3.7680 9.9278 9.9534 10.4758 10.5011 10.6060 10.6079 11.5938 11.6100 11.6706 11.6933 13.2687 13.3313 13.3797 13.4261 13.8296 13.8322 14.7201 14.7804 15.4604 15.4847 17.3023 17.3759 18.0053 18.1344 k = 0.1091 0.0630 0.1781 ( 2127 PWs) bands (ev): -48.6420 -48.6420 -23.0120 -23.0119 -15.3581 -15.3579 -15.3534 -15.3528 -7.9850 -7.9826 -7.9820 -7.9645 -7.0144 -7.0135 -6.9579 -6.9529 -6.9490 -6.9385 3.7103 3.7181 9.9665 9.9919 10.4611 10.4847 10.5878 10.5894 11.5855 11.6010 11.6538 11.6749 13.3281 13.3960 13.4213 13.4748 13.8446 13.8460 14.7946 14.8510 15.4827 15.5131 17.3321 17.4099 18.0018 18.1530 k = 0.1023 0.0590 0.1670 ( 2115 PWs) bands (ev): -48.6420 -48.6420 -23.0117 -23.0116 -15.3574 -15.3572 -15.3532 -15.3526 -7.9837 -7.9820 -7.9806 -7.9647 -7.0143 -7.0135 -6.9572 -6.9524 -6.9485 -6.9386 3.6645 3.6709 10.0042 10.0291 10.4469 10.4691 10.5695 10.5708 11.5776 11.5924 11.6378 11.6574 13.3844 13.4537 13.4673 13.5239 13.8570 13.8575 14.8730 14.9258 15.5077 15.5431 17.3542 17.4338 17.9914 18.1672 k = 0.0955 0.0551 0.1559 ( 2123 PWs) bands (ev): -48.6421 -48.6420 -23.0117 -23.0116 -15.3570 -15.3568 -15.3532 -15.3526 -7.9825 -7.9814 -7.9793 -7.9649 -7.0141 -7.0135 -6.9565 -6.9518 -6.9480 -6.9388 3.6211 3.6263 10.0407 10.0649 10.4336 10.4544 10.5511 10.5525 11.5700 11.5841 11.6227 11.6408 13.4378 13.4997 13.5215 13.5720 13.8671 13.8673 14.9546 15.0040 15.5352 15.5745 17.3682 17.4465 17.9768 18.1771 k = 0.0886 0.0512 0.1447 ( 2123 PWs) bands (ev): -48.6421 -48.6421 -23.0115 -23.0115 -15.3564 -15.3563 -15.3531 -15.3526 -7.9813 -7.9807 -7.9782 -7.9651 -7.0140 -7.0134 -6.9557 -6.9513 -6.9475 -6.9390 3.5804 3.5846 10.0757 10.0988 10.4212 10.4408 10.5330 10.5347 11.5629 11.5762 11.6085 11.6251 13.4889 13.5422 13.5753 13.6185 13.8752 13.8758 15.0387 15.0848 15.5649 15.6070 17.3733 17.4471 17.9609 18.1814 k = 0.0818 0.0472 0.1336 ( 2123 PWs) bands (ev): -48.6421 -48.6421 -23.0114 -23.0114 -15.3560 -15.3559 -15.3530 -15.3525 -7.9803 -7.9800 -7.9771 -7.9654 -7.0138 -7.0134 -6.9549 -6.9507 -6.9470 -6.9393 3.5424 3.5457 10.1087 10.1305 10.4100 10.4283 10.5157 10.5176 11.5563 11.5688 11.5953 11.6105 13.5379 13.5837 13.6256 13.6622 13.8821 13.8829 15.1245 15.1676 15.5965 15.6403 17.3691 17.4351 17.9465 18.1576 k = 0.0750 0.0433 0.1225 ( 2123 PWs) bands (ev): -48.6421 -48.6421 -23.0113 -23.0112 -15.3555 -15.3554 -15.3530 -15.3525 -7.9795 -7.9790 -7.9761 -7.9658 -7.0137 -7.0134 -6.9542 -6.9501 -6.9466 -6.9396 3.5072 3.5097 10.1393 10.1595 10.4004 10.4172 10.4992 10.5014 11.5501 11.5618 11.5830 11.5968 13.5851 13.6245 13.6718 13.7027 13.8881 13.8889 15.2113 15.2514 15.6295 15.6738 17.3556 17.4111 17.9352 18.1061 k = 0.0682 0.0394 0.1113 ( 2119 PWs) bands (ev): -48.6421 -48.6421 -23.0111 -23.0111 -15.3551 -15.3549 -15.3529 -15.3524 -7.9788 -7.9780 -7.9751 -7.9661 -7.0136 -7.0134 -6.9534 -6.9496 -6.9463 -6.9399 3.4748 3.4767 10.1672 10.1853 10.3926 10.4077 10.4837 10.4862 11.5445 11.5553 11.5718 11.5843 13.6303 13.6641 13.7137 13.7394 13.8936 13.8941 15.2983 15.3355 15.6633 15.7071 17.3332 17.3769 17.9273 18.0588 k = 0.0614 0.0354 0.1002 ( 2119 PWs) bands (ev): -48.6421 -48.6421 -23.0110 -23.0110 -15.3546 -15.3545 -15.3528 -15.3524 -7.9780 -7.9770 -7.9743 -7.9666 -7.0135 -7.0133 -6.9526 -6.9491 -6.9460 -6.9403 3.4453 3.4466 10.1918 10.2075 10.3871 10.4001 10.4696 10.4722 11.5394 11.5493 11.5617 11.5728 13.6734 13.7020 13.7512 13.7720 13.8986 13.8986 15.3846 15.4189 15.6972 15.7394 17.3030 17.3355 17.9216 18.0184 k = 0.0545 0.0315 0.0891 ( 2107 PWs) bands (ev): -48.6421 -48.6421 -23.0108 -23.0108 -15.3541 -15.3540 -15.3527 -15.3524 -7.9773 -7.9761 -7.9736 -7.9670 -7.0135 -7.0133 -6.9518 -6.9485 -6.9457 -6.9408 3.4187 3.4197 10.2127 10.2255 10.3842 10.3948 10.4568 10.4595 11.5348 11.5438 11.5527 11.5625 13.7140 13.7378 13.7844 13.8003 13.9028 13.9035 15.4692 15.5006 15.7305 15.7703 17.2670 17.2897 17.9166 17.9842 k = 0.0477 0.0276 0.0779 ( 2101 PWs) bands (ev): -48.6421 -48.6421 -23.0106 -23.0106 -15.3537 -15.3536 -15.3526 -15.3523 -7.9766 -7.9753 -7.9730 -7.9675 -7.0134 -7.0133 -6.9510 -6.9480 -6.9455 -6.9413 3.3952 3.3958 10.2293 10.2391 10.3843 10.3921 10.4454 10.4481 11.5308 11.5388 11.5447 11.5533 13.7517 13.7708 13.8131 13.8242 13.9069 13.9086 15.5508 15.5793 15.7624 15.7990 17.2275 17.2425 17.9104 17.9548 k = 0.0409 0.0236 0.0668 ( 2099 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3534 -15.3533 -15.3526 -15.3524 -7.9759 -7.9745 -7.9725 -7.9680 -7.0134 -7.0133 -6.9502 -6.9476 -6.9454 -6.9418 3.3747 3.3751 10.2416 10.2483 10.3869 10.3921 10.4356 10.4381 11.5274 11.5343 11.5379 11.5452 13.7858 13.8004 13.8372 13.8436 13.9115 13.9140 15.6281 15.6534 15.7923 15.8249 17.1873 17.1966 17.9014 17.9285 k = 0.0341 0.0197 0.0557 ( 2103 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3531 -15.3531 -15.3526 -15.3524 -7.9752 -7.9738 -7.9721 -7.9686 -7.0133 -7.0133 -6.9494 -6.9472 -6.9453 -6.9423 3.3573 3.3575 10.2498 10.2538 10.3914 10.3943 10.4273 10.4296 11.5246 11.5304 11.5321 11.5382 13.8157 13.8260 13.8561 13.8586 13.9170 13.9200 15.6993 15.7211 15.8194 15.8473 17.1488 17.1541 17.8888 17.9039 k = 0.0273 0.0157 0.0445 ( 2101 PWs) bands (ev): -48.6422 -48.6422 -23.0104 -23.0104 -15.3529 -15.3528 -15.3526 -15.3524 -7.9745 -7.9732 -7.9718 -7.9692 -7.0133 -7.0133 -6.9486 -6.9468 -6.9453 -6.9429 3.3430 3.3431 10.2548 10.2568 10.3967 10.3979 10.4206 10.4225 11.5224 11.5271 11.5275 11.5323 13.8409 13.8473 13.8694 13.8697 13.9238 13.9264 15.7625 15.7806 15.8430 15.8659 17.1141 17.1168 17.8727 17.8802 k = 0.0205 0.0118 0.0334 ( 2103 PWs) bands (ev): -48.6422 -48.6422 -23.0104 -23.0104 -15.3527 -15.3527 -15.3526 -15.3525 -7.9738 -7.9727 -7.9716 -7.9698 -7.0133 -7.0133 -6.9479 -6.9464 -6.9453 -6.9436 3.3318 3.3319 10.2574 10.2582 10.4018 10.4021 10.4155 10.4170 11.5208 11.5240 11.5243 11.5276 13.8607 13.8640 13.8769 13.8783 13.9312 13.9328 15.8155 15.8295 15.8627 15.8802 17.0852 17.0863 17.8550 17.8580 k = 0.0136 0.0079 0.0223 ( 2107 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3526 -15.3526 -15.3526 -15.3525 -7.9731 -7.9722 -7.9715 -7.9704 -7.0133 -7.0133 -6.9471 -6.9461 -6.9453 -6.9442 3.3238 3.3238 10.2585 10.2587 10.4058 10.4059 10.4119 10.4129 11.5199 11.5216 11.5222 11.5240 13.8747 13.8760 13.8817 13.8831 13.9378 13.9384 15.8562 15.8658 15.8780 15.8897 17.0634 17.0638 17.8384 17.8393 k = 0.0068 0.0039 0.0111 ( 2109 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3526 -15.3526 -15.3526 -15.3525 -7.9724 -7.9719 -7.9716 -7.9710 -7.0132 -7.0132 -6.9463 -6.9458 -6.9455 -6.9449 3.3190 3.3190 10.2589 10.2589 10.4084 10.4085 10.4098 10.4104 11.5196 11.5203 11.5208 11.5215 13.8830 13.8833 13.8845 13.8854 13.9423 13.9424 15.8825 15.8874 15.8885 15.8943 17.0499 17.0499 17.8265 17.8267 k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3525 -15.3525 -15.3525 -15.3525 -7.9717 -7.9717 -7.9717 -7.9717 -7.0132 -7.0132 -6.9456 -6.9456 -6.9456 -6.9456 3.3174 3.3174 10.2589 10.2589 10.4093 10.4093 10.4093 10.4093 11.5201 11.5201 11.5201 11.5201 13.8857 13.8857 13.8857 13.8857 13.9438 13.9438 15.8935 15.8935 15.8935 15.8935 17.0453 17.0453 17.8222 17.8222 k = 0.0000 0.0000 0.0000 ( 2109 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3525 -15.3525 -15.3525 -15.3525 -7.9717 -7.9717 -7.9717 -7.9717 -7.0132 -7.0132 -6.9456 -6.9456 -6.9456 -6.9456 3.3174 3.3174 10.2589 10.2589 10.4093 10.4093 10.4093 10.4093 11.5201 11.5201 11.5201 11.5201 13.8857 13.8857 13.8857 13.8857 13.9438 13.9438 15.8935 15.8935 15.8935 15.8935 17.0453 17.0453 17.8222 17.8222 k = 0.0111 0.0064 0.0045 ( 2109 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3526 -15.3526 -15.3526 -15.3525 -7.9724 -7.9717 -7.9717 -7.9710 -7.0132 -7.0132 -6.9464 -6.9456 -6.9456 -6.9449 3.3190 3.3190 10.2589 10.2589 10.4085 10.4085 10.4097 10.4103 11.5196 11.5206 11.5206 11.5215 13.8830 13.8830 13.8847 13.8855 13.9423 13.9423 15.8844 15.8877 15.8877 15.8931 17.0499 17.0499 17.8266 17.8266 k = 0.0222 0.0128 0.0091 ( 2103 PWs) bands (ev): -48.6422 -48.6422 -23.0104 -23.0104 -15.3526 -15.3526 -15.3526 -15.3525 -7.9731 -7.9719 -7.9719 -7.9703 -7.0133 -7.0133 -6.9471 -6.9457 -6.9457 -6.9442 3.3238 3.3238 10.2587 10.2587 10.4061 10.4061 10.4116 10.4127 11.5200 11.5220 11.5220 11.5239 13.8746 13.8746 13.8823 13.8841 13.9382 13.9382 15.8659 15.8704 15.8704 15.8833 17.0634 17.0634 17.8386 17.8386 k = 0.0333 0.0192 0.0136 ( 2103 PWs) bands (ev): -48.6422 -48.6422 -23.0104 -23.0104 -15.3527 -15.3527 -15.3526 -15.3524 -7.9738 -7.9722 -7.9722 -7.9697 -7.0133 -7.0133 -6.9479 -6.9458 -6.9458 -6.9435 3.3318 3.3318 10.2579 10.2579 10.4024 10.4024 10.4148 10.4165 11.5213 11.5242 11.5242 11.5271 13.8599 13.8599 13.8786 13.8813 13.9322 13.9322 15.8390 15.8426 15.8426 15.8644 17.0851 17.0851 17.8551 17.8551 k = 0.0444 0.0257 0.0181 ( 2097 PWs) bands (ev): -48.6422 -48.6422 -23.0104 -23.0104 -15.3528 -15.3528 -15.3526 -15.3524 -7.9745 -7.9725 -7.9725 -7.9690 -7.0133 -7.0133 -6.9487 -6.9460 -6.9460 -6.9428 3.3429 3.3429 10.2563 10.2563 10.3979 10.3979 10.4194 10.4217 11.5234 11.5274 11.5274 11.5313 13.8387 13.8387 13.8736 13.8771 13.9250 13.9250 15.8045 15.8057 15.8057 15.8374 17.1134 17.1134 17.8709 17.8709 k = 0.0556 0.0321 0.0227 ( 2097 PWs) bands (ev): -48.6422 -48.6422 -23.0104 -23.0104 -15.3530 -15.3530 -15.3526 -15.3523 -7.9752 -7.9730 -7.9730 -7.9684 -7.0133 -7.0133 -6.9495 -6.9463 -6.9463 -6.9422 3.3572 3.3572 10.2529 10.2529 10.3933 10.3933 10.4253 10.4282 11.5265 11.5314 11.5314 11.5363 13.8111 13.8111 13.8670 13.8716 13.9167 13.9167 15.7612 15.7612 15.7637 15.8034 17.1461 17.1461 17.8809 17.8809 k = 0.0667 0.0385 0.0272 ( 2100 PWs) bands (ev): -48.6422 -48.6422 -23.0105 -23.0105 -15.3533 -15.3533 -15.3526 -15.3523 -7.9759 -7.9736 -7.9736 -7.9678 -7.0133 -7.0133 -6.9503 -6.9465 -6.9465 -6.9416 3.3746 3.3746 10.2470 10.2470 10.3897 10.3897 10.4327 10.4360 11.5303 11.5362 11.5362 11.5422 13.7776 13.7776 13.8590 13.8645 13.9074 13.9074 15.7107 15.7107 15.7179 15.7636 17.1799 17.1799 17.8836 17.8836 k = 0.0778 0.0449 0.0318 ( 2106 PWs) bands (ev): -48.6422 -48.6422 -23.0107 -23.0107 -15.3537 -15.3537 -15.3527 -15.3523 -7.9766 -7.9743 -7.9743 -7.9672 -7.0134 -7.0134 -6.9511 -6.9468 -6.9468 -6.9411 3.3952 3.3952 10.2375 10.2375 10.3878 10.3878 10.4413 10.4451 11.5351 11.5420 11.5420 11.5491 13.7389 13.7389 13.8492 13.8559 13.8967 13.8967 15.6559 15.6559 15.6682 15.7193 17.2103 17.2103 17.8825 17.8825 k = 0.0889 0.0513 0.0363 ( 2106 PWs) bands (ev): -48.6421 -48.6421 -23.0108 -23.0108 -15.3541 -15.3541 -15.3527 -15.3523 -7.9772 -7.9751 -7.9751 -7.9667 -7.0134 -7.0134 -6.9518 -6.9472 -6.9472 -6.9406 3.4187 3.4187 10.2239 10.2239 10.3884 10.3884 10.4512 10.4555 11.5407 11.5487 11.5487 11.5569 13.6958 13.6958 13.8377 13.8455 13.8846 13.8846 15.5983 15.5983 15.6159 15.6717 17.2313 17.2313 17.8852 17.8852 k = 0.1000 0.0577 0.0408 ( 2118 PWs) bands (ev): -48.6421 -48.6421 -23.0110 -23.0110 -15.3546 -15.3546 -15.3528 -15.3524 -7.9779 -7.9759 -7.9759 -7.9662 -7.0134 -7.0134 -6.9526 -6.9476 -6.9476 -6.9401 3.4454 3.4454 10.2059 10.2059 10.3918 10.3918 10.4624 10.4670 11.5472 11.5563 11.5563 11.5655 13.6489 13.6489 13.8242 13.8332 13.8706 13.8706 15.5389 15.5389 15.5621 15.6220 17.2368 17.2368 17.8993 17.8993 k = 0.1111 0.0642 0.0454 ( 2118 PWs) bands (ev): -48.6421 -48.6421 -23.0111 -23.0111 -15.3550 -15.3550 -15.3528 -15.3524 -7.9785 -7.9769 -7.9769 -7.9657 -7.0135 -7.0135 -6.9534 -6.9481 -6.9481 -6.9397 3.4750 3.4750 10.1836 10.1836 10.3980 10.3980 10.4748 10.4798 11.5546 11.5647 11.5647 11.5751 13.5989 13.5989 13.8087 13.8191 13.8548 13.8548 15.4791 15.4791 15.5078 15.5713 17.2227 17.2227 17.9301 17.9301 k = 0.1222 0.0706 0.0499 ( 2124 PWs) bands (ev): -48.6421 -48.6421 -23.0113 -23.0113 -15.3556 -15.3556 -15.3529 -15.3524 -7.9791 -7.9779 -7.9779 -7.9653 -7.0136 -7.0136 -6.9541 -6.9485 -6.9485 -6.9393 3.5075 3.5075 10.1573 10.1573 10.4065 10.4065 10.4884 10.4936 11.5628 11.5741 11.5741 11.5856 13.5464 13.5464 13.7909 13.8027 13.8368 13.8368 15.4197 15.4197 15.4539 15.5205 17.1887 17.1887 17.9781 17.9781 k = 0.1333 0.0770 0.0544 ( 2124 PWs) bands (ev): -48.6421 -48.6421 -23.0114 -23.0114 -15.3560 -15.3560 -15.3529 -15.3524 -7.9797 -7.9790 -7.9790 -7.9649 -7.0136 -7.0136 -6.9548 -6.9490 -6.9490 -6.9390 3.5428 3.5428 10.1274 10.1274 10.4170 10.4170 10.5031 10.5086 11.5719 11.5843 11.5843 11.5971 13.4920 13.4920 13.7708 13.7842 13.8164 13.8164 15.3617 15.3617 15.4013 15.4705 17.1376 17.1376 18.0404 18.0404 k = 0.1444 0.0834 0.0590 ( 2118 PWs) bands (ev): -48.6421 -48.6421 -23.0114 -23.0114 -15.3565 -15.3565 -15.3529 -15.3524 -7.9802 -7.9802 -7.9802 -7.9645 -7.0137 -7.0137 -6.9555 -6.9496 -6.9496 -6.9387 3.5810 3.5810 10.0944 10.0944 10.4294 10.4294 10.5188 10.5245 11.5819 11.5955 11.5955 11.6095 13.4361 13.4361 13.7481 13.7633 13.7936 13.7936 15.3056 15.3056 15.3507 15.4219 17.0731 17.0731 18.1122 18.1122 k = 0.1556 0.0898 0.0635 ( 2112 PWs) bands (ev): -48.6420 -48.6420 -23.0115 -23.0115 -15.3569 -15.3569 -15.3529 -15.3524 -7.9815 -7.9815 -7.9807 -7.9642 -7.0138 -7.0138 -6.9561 -6.9501 -6.9501 -6.9385 3.6219 3.6219 10.0583 10.0583 10.4432 10.4432 10.5356 10.5414 11.5927 11.6076 11.6076 11.6229 13.3791 13.3791 13.7227 13.7398 13.7682 13.7682 15.2522 15.2522 15.3025 15.3755 16.9986 16.9986 18.1887 18.1887 k = 0.1667 0.0962 0.0680 ( 2112 PWs) bands (ev): -48.6420 -48.6420 -23.0116 -23.0116 -15.3575 -15.3575 -15.3530 -15.3524 -7.9828 -7.9828 -7.9812 -7.9640 -7.0139 -7.0139 -6.9568 -6.9507 -6.9507 -6.9383 3.6655 3.6655 10.0194 10.0194 10.4584 10.4584 10.5533 10.5592 11.6044 11.6204 11.6204 11.6371 13.3213 13.3213 13.6945 13.7138 13.7401 13.7401 15.2018 15.2018 15.2574 15.3317 16.9165 16.9165 18.2651 18.2651 k = 0.1778 0.1026 0.0726 ( 2121 PWs) bands (ev): -48.6420 -48.6420 -23.0119 -23.0119 -15.3582 -15.3582 -15.3531 -15.3525 -7.9842 -7.9842 -7.9816 -7.9637 -7.0140 -7.0140 -6.9573 -6.9513 -6.9513 -6.9382 3.7116 3.7116 9.9780 9.9780 10.4746 10.4746 10.5719 10.5777 11.6168 11.6341 11.6341 11.6522 13.2633 13.2633 13.6635 13.6851 13.7091 13.7091 15.1548 15.1548 15.2157 15.2910 16.8289 16.8289 18.3370 18.3370 k = 0.1889 0.1091 0.0771 ( 2127 PWs) bands (ev): -48.6420 -48.6420 -23.0121 -23.0121 -15.3589 -15.3589 -15.3531 -15.3525 -7.9856 -7.9856 -7.9820 -7.9636 -7.0141 -7.0141 -6.9579 -6.9519 -6.9519 -6.9381 3.7601 3.7601 9.9342 9.9342 10.4919 10.4919 10.5913 10.5970 11.6301 11.6486 11.6486 11.6682 13.2051 13.2051 13.6297 13.6538 13.6755 13.6755 15.1116 15.1116 15.1777 15.2537 16.7372 16.7372 18.3997 18.3998 k = 0.2000 0.1155 0.0816 ( 2127 PWs) bands (ev): -48.6420 -48.6420 -23.0123 -23.0123 -15.3595 -15.3595 -15.3532 -15.3525 -7.9871 -7.9871 -7.9824 -7.9634 -7.0143 -7.0143 -6.9584 -6.9525 -6.9525 -6.9381 3.8110 3.8110 9.8882 9.8882 10.5100 10.5100 10.6114 10.6170 11.6441 11.6640 11.6640 11.6851 13.1474 13.1474 13.5931 13.6200 13.6392 13.6392 15.0722 15.0722 15.1437 15.2200 16.6423 16.6423 18.4495 18.4495 k = 0.2111 0.1219 0.0862 ( 2127 PWs) bands (ev): -48.6419 -48.6419 -23.0124 -23.0124 -15.3602 -15.3602 -15.3532 -15.3525 -7.9886 -7.9886 -7.9827 -7.9634 -7.0144 -7.0144 -6.9589 -6.9532 -6.9532 -6.9382 3.8640 3.8640 9.8400 9.8400 10.5289 10.5289 10.6322 10.6376 11.6589 11.6801 11.6801 11.7029 13.0902 13.0902 13.5538 13.5836 13.6003 13.6003 15.0368 15.0368 15.1138 15.1901 16.5453 16.5453 18.4833 18.4833 k = 0.2222 0.1283 0.0907 ( 2115 PWs) bands (ev): -48.6419 -48.6419 -23.0124 -23.0124 -15.3607 -15.3607 -15.3531 -15.3525 -7.9901 -7.9901 -7.9829 -7.9634 -7.0146 -7.0146 -6.9593 -6.9538 -6.9538 -6.9383 3.9192 3.9192 9.7900 9.7900 10.5485 10.5485 10.6536 10.6587 11.6746 11.6970 11.6970 11.7215 13.0339 13.0339 13.5121 13.5449 13.5590 13.5590 15.0052 15.0052 15.0879 15.1640 16.4468 16.4468 18.5001 18.5001 k = 0.2333 0.1347 0.0953 ( 2115 PWs) bands (ev): -48.6419 -48.6419 -23.0126 -23.0126 -15.3614 -15.3614 -15.3532 -15.3525 -7.9917 -7.9917 -7.9832 -7.9634 -7.0148 -7.0148 -6.9596 -6.9544 -6.9544 -6.9384 3.9763 3.9763 9.7380 9.7380 10.5686 10.5686 10.6755 10.6802 11.6909 11.7145 11.7145 11.7409 12.9786 12.9786 13.4680 13.5039 13.5156 13.5156 14.9774 14.9774 15.0661 15.1417 16.3475 16.3475 18.5004 18.5004 k = 0.2444 0.1411 0.0998 ( 2121 PWs) bands (ev): -48.6419 -48.6419 -23.0128 -23.0128 -15.3621 -15.3621 -15.3532 -15.3525 -7.9932 -7.9932 -7.9833 -7.9635 -7.0150 -7.0150 -6.9600 -6.9550 -6.9550 -6.9386 4.0351 4.0351 9.6844 9.6844 10.5891 10.5891 10.6978 10.7020 11.7078 11.7326 11.7326 11.7610 12.9246 12.9246 13.4218 13.4610 13.4703 13.4703 14.9532 14.9532 15.0483 15.1232 16.2480 16.2480 18.4866 18.4866 k = 0.2556 0.1475 0.1043 ( 2121 PWs) bands (ev): -48.6418 -48.6418 -23.0130 -23.0130 -15.3628 -15.3628 -15.3532 -15.3525 -7.9948 -7.9948 -7.9835 -7.9636 -7.0152 -7.0152 -6.9602 -6.9556 -6.9556 -6.9389 4.0955 4.0955 9.6292 9.6292 10.6101 10.6101 10.7205 10.7242 11.7255 11.7514 11.7514 11.7819 12.8720 12.8720 13.3739 13.4164 13.4234 13.4234 14.9324 14.9324 15.0342 15.1082 16.1489 16.1489 18.4618 18.4618 k = 0.2667 0.1540 0.1089 ( 2121 PWs) bands (ev): -48.6418 -48.6418 -23.0132 -23.0132 -15.3635 -15.3635 -15.3532 -15.3525 -7.9964 -7.9964 -7.9835 -7.9638 -7.0154 -7.0154 -6.9604 -6.9562 -6.9562 -6.9392 4.1574 4.1574 9.5727 9.5727 10.6312 10.6312 10.7434 10.7465 11.7438 11.7706 11.7706 11.8034 12.8211 12.8211 13.3244 13.3703 13.3753 13.3753 14.9147 14.9147 15.0237 15.0967 16.0508 16.0508 18.4289 18.4289 k = 0.2778 0.1604 0.1134 ( 2121 PWs) bands (ev): -48.6418 -48.6418 -23.0133 -23.0133 -15.3642 -15.3642 -15.3532 -15.3525 -7.9979 -7.9979 -7.9836 -7.9640 -7.0156 -7.0156 -6.9606 -6.9568 -6.9568 -6.9396 4.2204 4.2204 9.5150 9.5150 10.6526 10.6526 10.7664 10.7689 11.7627 11.7903 11.7903 11.8256 12.7720 12.7720 13.2737 13.3230 13.3262 13.3262 14.8997 14.8997 15.0167 15.0883 15.9541 15.9542 18.3907 18.3907 k = 0.2889 0.1668 0.1179 ( 2127 PWs) bands (ev): -48.6418 -48.6418 -23.0136 -23.0136 -15.3649 -15.3649 -15.3532 -15.3526 -7.9995 -7.9995 -7.9836 -7.9642 -7.0158 -7.0158 -6.9607 -6.9574 -6.9574 -6.9400 4.2843 4.2843 9.4562 9.4562 10.6740 10.6740 10.7895 10.7913 11.7821 11.8104 11.8104 11.8483 12.7249 12.7249 13.2221 13.2748 13.2765 13.2765 14.8872 14.8872 15.0127 15.0829 15.8597 15.8597 18.3493 18.3493 k = 0.3000 0.1732 0.1225 ( 2121 PWs) bands (ev): -48.6417 -48.6417 -23.0136 -23.0136 -15.3655 -15.3655 -15.3532 -15.3525 -8.0010 -8.0010 -7.9835 -7.9646 -7.0160 -7.0160 -6.9607 -6.9579 -6.9579 -6.9405 4.3489 4.3489 9.3967 9.3967 10.6953 10.6953 10.8125 10.8137 11.8021 11.8308 11.8308 11.8716 12.6800 12.6800 13.1699 13.2260 13.2265 13.2265 14.8767 14.8767 15.0117 15.0803 15.7679 15.7679 18.3066 18.3066 k = 0.3111 0.1796 0.1270 ( 2133 PWs) bands (ev): -48.6417 -48.6417 -23.0139 -23.0139 -15.3662 -15.3662 -15.3533 -15.3527 -8.0025 -8.0025 -7.9834 -7.9649 -7.0163 -7.0163 -6.9607 -6.9585 -6.9585 -6.9410 4.4140 4.4140 9.3366 9.3366 10.7166 10.7166 10.8354 10.8358 11.8225 11.8513 11.8513 11.8953 12.6373 12.6373 13.1173 13.1765 13.1765 13.1768 14.8677 14.8677 15.0132 15.0800 15.6793 15.6793 18.2636 18.2636 k = 0.3222 0.1860 0.1315 ( 2138 PWs) bands (ev): -48.6417 -48.6417 -23.0142 -23.0142 -15.3669 -15.3669 -15.3534 -15.3528 -8.0039 -8.0039 -7.9832 -7.9653 -7.0165 -7.0165 -6.9607 -6.9590 -6.9590 -6.9415 4.4791 4.4791 9.2763 9.2763 10.7376 10.7376 10.8577 10.8580 11.8434 11.8719 11.8719 11.9195 12.5970 12.5970 13.0647 13.1268 13.1268 13.1274 14.8599 14.8599 15.0171 15.0820 15.5948 15.5948 18.2215 18.2215 k = 0.3333 0.1925 0.1361 ( 2138 PWs) bands (ev): -48.6417 -48.6417 -23.0143 -23.0143 -15.3675 -15.3675 -15.3534 -15.3528 -8.0053 -8.0053 -7.9830 -7.9657 -7.0168 -7.0168 -6.9605 -6.9594 -6.9594 -6.9421 4.5439 4.5439 9.2160 9.2160 10.7582 10.7582 10.8792 10.8802 11.8648 11.8925 11.8925 11.9440 12.5592 12.5592 13.0123 13.0776 13.0776 13.0782 14.8527 14.8527 15.0231 15.0858 15.5149 15.5149 18.1807 18.1807 k = 0.3444 0.1989 0.1406 ( 2138 PWs) bands (ev): -48.6417 -48.6417 -23.0144 -23.0144 -15.3680 -15.3680 -15.3534 -15.3528 -8.0067 -8.0067 -7.9827 -7.9662 -7.0170 -7.0170 -6.9604 -6.9599 -6.9599 -6.9427 4.6081 4.6081 9.1561 9.1561 10.7784 10.7784 10.9003 10.9019 11.8866 11.9129 11.9129 11.9688 12.5241 12.5241 12.9603 13.0293 13.0293 13.0293 14.8454 14.8454 15.0309 15.0912 15.4404 15.4404 18.1418 18.1418 k = 0.3556 0.2053 0.1452 ( 2126 PWs) bands (ev): -48.6416 -48.6416 -23.0144 -23.0144 -15.3685 -15.3685 -15.3533 -15.3528 -8.0079 -8.0079 -7.9824 -7.9667 -7.0172 -7.0172 -6.9603 -6.9603 -6.9601 -6.9433 4.6713 4.6713 9.0969 9.0969 10.7981 10.7981 10.9207 10.9229 11.9089 11.9332 11.9332 11.9939 12.4916 12.4916 12.9090 12.9810 12.9821 12.9821 14.8375 14.8375 15.0402 15.0980 15.3722 15.3722 18.1052 18.1052 k = 0.3667 0.2117 0.1497 ( 2132 PWs) bands (ev): -48.6416 -48.6416 -23.0146 -23.0146 -15.3690 -15.3690 -15.3533 -15.3528 -8.0092 -8.0092 -7.9821 -7.9673 -7.0175 -7.0175 -6.9607 -6.9607 -6.9599 -6.9440 4.7331 4.7331 9.0390 9.0390 10.8171 10.8171 10.9404 10.9432 11.9315 11.9529 11.9529 12.0190 12.4620 12.4620 12.8586 12.9333 12.9361 12.9361 14.8280 14.8280 15.0508 15.1057 15.3109 15.3109 18.0709 18.0709 k = 0.3778 0.2181 0.1542 ( 2126 PWs) bands (ev): -48.6416 -48.6416 -23.0147 -23.0147 -15.3695 -15.3695 -15.3533 -15.3528 -8.0103 -8.0103 -7.9817 -7.9679 -7.0177 -7.0177 -6.9611 -6.9611 -6.9595 -6.9447 4.7928 4.7928 8.9826 8.9826 10.8352 10.8352 10.9594 10.9626 11.9546 11.9721 11.9721 12.0443 12.4353 12.4353 12.8095 12.8867 12.8917 12.8917 14.8164 14.8164 15.0623 15.1141 15.2576 15.2576 18.0393 18.0393 k = 0.3889 0.2245 0.1588 ( 2120 PWs) bands (ev): -48.6416 -48.6416 -23.0147 -23.0147 -15.3698 -15.3698 -15.3532 -15.3528 -8.0114 -8.0114 -7.9813 -7.9685 -7.0179 -7.0179 -6.9614 -6.9614 -6.9592 -6.9454 4.8502 4.8502 8.9284 8.9284 10.8524 10.8524 10.9773 10.9808 11.9781 11.9906 11.9906 12.0696 12.4116 12.4116 12.7617 12.8410 12.8491 12.8491 14.8020 14.8020 15.0745 15.1229 15.2126 15.2126 18.0104 18.0104 k = 0.4000 0.2309 0.1633 ( 2123 PWs) bands (ev): -48.6415 -48.6415 -23.0148 -23.0148 -15.3703 -15.3703 -15.3532 -15.3528 -8.0123 -8.0123 -7.9808 -7.9691 -7.0181 -7.0181 -6.9617 -6.9617 -6.9587 -6.9462 4.9045 4.9045 8.8769 8.8769 10.8685 10.8685 10.9941 10.9979 12.0020 12.0080 12.0080 12.0945 12.3910 12.3910 12.7156 12.7966 12.8085 12.8085 14.7848 14.7848 15.0870 15.1317 15.1764 15.1764 17.9843 17.9843 k = 0.4111 0.2374 0.1678 ( 2123 PWs) bands (ev): -48.6415 -48.6415 -23.0149 -23.0149 -15.3707 -15.3707 -15.3532 -15.3529 -8.0132 -8.0132 -7.9803 -7.9697 -7.0183 -7.0183 -6.9620 -6.9620 -6.9583 -6.9469 4.9553 4.9553 8.8286 8.8286 10.8833 10.8833 11.0097 11.0136 12.0242 12.0242 12.0262 12.1192 12.3736 12.3736 12.6715 12.7536 12.7702 12.7702 14.7651 14.7651 15.0996 15.1403 15.1483 15.1483 17.9609 17.9609 k = 0.4222 0.2438 0.1724 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0151 -23.0151 -15.3710 -15.3710 -15.3533 -15.3530 -8.0140 -8.0140 -7.9798 -7.9704 -7.0184 -7.0184 -6.9622 -6.9622 -6.9577 -6.9477 5.0020 5.0020 8.7841 8.7841 10.8968 10.8968 11.0240 11.0278 12.0388 12.0388 12.0508 12.1430 12.3594 12.3594 12.6299 12.7122 12.7344 12.7344 14.7438 14.7438 15.1120 15.1276 15.1276 15.1484 17.9403 17.9403 k = 0.4333 0.2502 0.1769 ( 2123 PWs) bands (ev): -48.6415 -48.6415 -23.0151 -23.0151 -15.3713 -15.3713 -15.3532 -15.3529 -8.0147 -8.0147 -7.9792 -7.9711 -7.0186 -7.0186 -6.9624 -6.9624 -6.9572 -6.9485 5.0440 5.0440 8.7440 8.7440 10.9089 10.9089 11.0368 11.0404 12.0519 12.0519 12.0757 12.1658 12.3485 12.3485 12.5914 12.6726 12.7017 12.7017 14.7223 14.7223 15.1128 15.1128 15.1238 15.1557 17.9225 17.9225 k = 0.4444 0.2566 0.1814 ( 2117 PWs) bands (ev): -48.6415 -48.6415 -23.0151 -23.0151 -15.3715 -15.3715 -15.3532 -15.3529 -8.0153 -8.0153 -7.9786 -7.9718 -7.0187 -7.0187 -6.9626 -6.9626 -6.9566 -6.9493 5.0807 5.0807 8.7089 8.7089 10.9193 10.9193 11.0479 11.0512 12.0630 12.0630 12.1008 12.1867 12.3407 12.3407 12.5569 12.6351 12.6724 12.6724 14.7018 14.7018 15.1027 15.1027 15.1348 15.1619 17.9074 17.9074 k = 0.4556 0.2630 0.1860 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0153 -23.0153 -15.3718 -15.3718 -15.3532 -15.3530 -8.0158 -8.0158 -7.9780 -7.9725 -7.0188 -7.0188 -6.9628 -6.9628 -6.9560 -6.9501 5.1116 5.1116 8.6793 8.6793 10.9280 10.9280 11.0573 11.0601 12.0719 12.0719 12.1256 12.2043 12.3355 12.3355 12.5276 12.5999 12.6469 12.6469 14.6835 14.6835 15.0960 15.0960 15.1448 15.1668 17.8951 17.8951 k = 0.4667 0.2694 0.1905 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0153 -23.0153 -15.3720 -15.3720 -15.3532 -15.3530 -8.0162 -8.0162 -7.9773 -7.9732 -7.0189 -7.0189 -6.9629 -6.9629 -6.9553 -6.9509 5.1361 5.1361 8.6557 8.6557 10.9349 10.9349 11.0648 11.0670 12.0788 12.0788 12.1500 12.2171 12.3327 12.3327 12.5055 12.5677 12.6260 12.6260 14.6684 14.6684 15.0918 15.0918 15.1535 15.1701 17.8856 17.8856 k = 0.4778 0.2758 0.1951 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0153 -23.0153 -15.3721 -15.3721 -15.3531 -15.3531 -8.0165 -8.0165 -7.9767 -7.9739 -7.0190 -7.0190 -6.9629 -6.9629 -6.9546 -6.9516 5.1540 5.1540 8.6385 8.6385 10.9399 10.9399 11.0704 11.0719 12.0836 12.0836 12.1732 12.2231 12.3316 12.3316 12.4925 12.5391 12.6104 12.6104 14.6572 14.6572 15.0892 15.0892 15.1606 15.1718 17.8788 17.8788 k = 0.4889 0.2823 0.1996 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0154 -23.0154 -15.3722 -15.3722 -15.3531 -15.3531 -8.0166 -8.0166 -7.9760 -7.9746 -7.0190 -7.0190 -6.9630 -6.9630 -6.9539 -6.9524 5.1649 5.1649 8.6281 8.6281 10.9429 10.9429 11.0739 11.0747 12.0864 12.0864 12.1939 12.2208 12.3313 12.3313 12.4902 12.5155 12.6006 12.6006 14.6502 14.6502 15.0879 15.0879 15.1661 15.1718 17.8748 17.8748 k = 0.5000 0.2887 0.2041 ( 2120 PWs) bands (ev): -48.6415 -48.6415 -23.0153 -23.0153 -15.3722 -15.3722 -15.3530 -15.3530 -8.0167 -8.0167 -7.9753 -7.9753 -7.0190 -7.0190 -6.9630 -6.9630 -6.9532 -6.9532 5.1685 5.1685 8.6246 8.6246 10.9439 10.9439 11.0754 11.0754 12.0874 12.0874 12.2106 12.2106 12.3313 12.3313 12.4985 12.4985 12.5973 12.5973 14.6479 14.6479 15.0874 15.0874 15.1699 15.1699 17.8734 17.8734 k = 0.5000 0.2887 0.2041 ( 2120 PWs) bands (ev): -48.6415 -48.6415 -23.0153 -23.0153 -15.3722 -15.3722 -15.3530 -15.3530 -8.0167 -8.0167 -7.9753 -7.9753 -7.0190 -7.0190 -6.9630 -6.9630 -6.9532 -6.9532 5.1685 5.1685 8.6246 8.6246 10.9439 10.9439 11.0754 11.0754 12.0874 12.0874 12.2106 12.2106 12.3313 12.3313 12.4985 12.4985 12.5973 12.5973 14.6479 14.6479 15.0874 15.0874 15.1699 15.1699 17.8734 17.8734 k = 0.5039 0.2774 0.2105 ( 2127 PWs) bands (ev): -48.6415 -48.6415 -23.0154 -23.0153 -15.3722 -15.3722 -15.3531 -15.3531 -8.0168 -8.0166 -7.9753 -7.9753 -7.0192 -7.0188 -6.9632 -6.9629 -6.9532 -6.9532 5.1656 5.1735 8.6233 8.6281 10.9412 10.9438 11.0741 11.0742 12.0852 12.0882 12.2096 12.2096 12.3233 12.3340 12.5002 12.5004 12.5952 12.6018 14.6435 14.6529 15.0835 15.0914 15.1699 15.1699 17.8732 17.8821 k = 0.5078 0.2661 0.2169 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0154 -23.0153 -15.3722 -15.3722 -15.3532 -15.3532 -8.0169 -8.0165 -7.9754 -7.9754 -7.0193 -7.0187 -6.9633 -6.9629 -6.9531 -6.9531 5.1648 5.1807 8.6243 8.6338 10.9351 10.9407 11.0707 11.0710 12.0818 12.0879 12.2066 12.2069 12.3112 12.3315 12.5048 12.5058 12.5956 12.6085 14.6396 14.6585 15.0796 15.0952 15.1699 15.1704 17.8815 17.8993 k = 0.5117 0.2548 0.2233 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0155 -23.0153 -15.3722 -15.3721 -15.3532 -15.3532 -8.0171 -8.0164 -7.9755 -7.9755 -7.0195 -7.0185 -6.9636 -6.9630 -6.9531 -6.9531 5.1662 5.1900 8.6276 8.6417 10.9248 10.9338 11.0660 11.0671 12.0770 12.0863 12.2013 12.2024 12.2968 12.3252 12.5111 12.5137 12.5984 12.6173 14.6362 14.6645 15.0759 15.0986 15.1699 15.1715 17.8977 17.9250 k = 0.5156 0.2436 0.2296 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0155 -23.0153 -15.3721 -15.3721 -15.3533 -15.3533 -8.0172 -8.0163 -7.9757 -7.9757 -7.0197 -7.0183 -6.9639 -6.9631 -6.9531 -6.9530 5.1697 5.2014 8.6330 8.6518 10.9089 10.9216 11.0617 11.0638 12.0707 12.0833 12.1933 12.1962 12.2819 12.3165 12.5182 12.5227 12.6036 12.6276 14.6331 14.6706 15.0724 15.1011 15.1699 15.1738 17.9212 17.9590 k = 0.5195 0.2323 0.2360 ( 2127 PWs) bands (ev): -48.6415 -48.6415 -23.0156 -23.0152 -15.3720 -15.3720 -15.3535 -15.3535 -8.0174 -8.0162 -7.9759 -7.9759 -7.0198 -7.0181 -6.9642 -6.9633 -6.9531 -6.9529 5.1753 5.2148 8.6407 8.6639 10.8863 10.9029 11.0593 11.0624 12.0629 12.0787 12.1826 12.1884 12.2681 12.3070 12.5255 12.5317 12.6106 12.6389 14.6300 14.6766 15.0691 15.1025 15.1703 15.1777 17.9505 18.0008 k = 0.5234 0.2210 0.2424 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0156 -23.0152 -15.3720 -15.3719 -15.3536 -15.3536 -8.0176 -8.0162 -7.9762 -7.9762 -7.0199 -7.0180 -6.9645 -6.9636 -6.9531 -6.9527 5.1830 5.2302 8.6506 8.6781 10.8567 10.8772 11.0596 11.0636 12.0532 12.0721 12.1695 12.1793 12.2560 12.2975 12.5329 12.5402 12.6190 12.6506 14.6266 14.6819 15.0657 15.1024 15.1713 15.1838 17.9823 18.0496 k = 0.5273 0.2097 0.2488 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0157 -23.0152 -15.3719 -15.3718 -15.3538 -15.3538 -8.0177 -8.0161 -7.9766 -7.9765 -7.0201 -7.0178 -6.9648 -6.9639 -6.9531 -6.9525 5.1926 5.2476 8.6626 8.6942 10.8204 10.8446 11.0628 11.0675 12.0419 12.0630 12.1551 12.1694 12.2458 12.2886 12.5404 12.5482 12.6282 12.6622 14.6226 14.6861 15.0621 15.1008 15.1736 15.1923 18.0096 18.1025 k = 0.5312 0.1985 0.2552 ( 2131 PWs) bands (ev): -48.6415 -48.6415 -23.0158 -23.0153 -15.3718 -15.3718 -15.3540 -15.3540 -8.0179 -8.0161 -7.9769 -7.9768 -7.0202 -7.0176 -6.9651 -6.9643 -6.9531 -6.9524 5.2043 5.2669 8.6766 8.7121 10.7781 10.8060 11.0688 11.0738 12.0287 12.0508 12.1408 12.1589 12.2370 12.2803 12.5480 12.5559 12.6373 12.6733 14.6177 14.6886 15.0581 15.0979 15.1777 15.2031 18.0199 18.1437 k = 0.5352 0.1872 0.2615 ( 2131 PWs) bands (ev): -48.6415 -48.6414 -23.0158 -23.0153 -15.3717 -15.3717 -15.3543 -15.3543 -8.0181 -8.0161 -7.9774 -7.9772 -7.0203 -7.0175 -6.9654 -6.9647 -6.9532 -6.9522 5.2178 5.2879 8.6926 8.7318 10.7305 10.7621 11.0770 11.0822 12.0139 12.0351 12.1279 12.1482 12.2291 12.2727 12.5558 12.5635 12.6460 12.6836 14.6115 14.6890 15.0533 15.0939 15.1843 15.2163 18.0050 18.1340 k = 0.5391 0.1759 0.2679 ( 2135 PWs) bands (ev): -48.6415 -48.6414 -23.0160 -23.0153 -15.3716 -15.3716 -15.3546 -15.3545 -8.0183 -8.0160 -7.9778 -7.9776 -7.0205 -7.0173 -6.9658 -6.9652 -6.9533 -6.9520 5.2332 5.3107 8.7104 8.7529 10.6783 10.7140 11.0871 11.0924 11.9976 12.0162 12.1168 12.1375 12.2218 12.2658 12.5639 12.5711 12.6538 12.6928 14.6037 14.6868 15.0477 15.0891 15.1941 15.2317 17.9699 18.0962 k = 0.5430 0.1646 0.2743 ( 2127 PWs) bands (ev): -48.6414 -48.6414 -23.0159 -23.0153 -15.3714 -15.3714 -15.3548 -15.3548 -8.0185 -8.0160 -7.9783 -7.9781 -7.0206 -7.0171 -6.9661 -6.9657 -6.9534 -6.9518 5.2503 5.3352 8.7300 8.7754 10.6224 10.6624 11.0990 11.1043 11.9801 11.9948 12.1074 12.1270 12.2148 12.2595 12.5722 12.5788 12.6604 12.7009 14.5942 14.6817 15.0410 15.0838 15.2074 15.2492 17.9225 18.0496 k = 0.5469 0.1534 0.2807 ( 2131 PWs) bands (ev): -48.6414 -48.6414 -23.0160 -23.0153 -15.3713 -15.3713 -15.3551 -15.3551 -8.0187 -8.0160 -7.9789 -7.9786 -7.0207 -7.0170 -6.9664 -6.9663 -6.9535 -6.9516 5.2691 5.3612 8.7512 8.7989 10.5635 10.6082 11.1123 11.1175 11.9614 11.9715 12.0990 12.1165 12.2079 12.2536 12.5807 12.5866 12.6657 12.7078 14.5827 14.6735 15.0336 15.0783 15.2242 15.2687 17.8674 17.9979 k = 0.5508 0.1421 0.2870 ( 2131 PWs) bands (ev): -48.6414 -48.6414 -23.0161 -23.0154 -15.3712 -15.3711 -15.3554 -15.3554 -8.0189 -8.0160 -7.9795 -7.9790 -7.0208 -7.0169 -6.9668 -6.9666 -6.9537 -6.9514 5.2895 5.3885 8.7736 8.8232 10.5023 10.5522 11.1270 11.1321 11.9420 11.9471 12.0913 12.1062 12.2013 12.2484 12.5894 12.5946 12.6696 12.7134 14.5691 14.6621 15.0256 15.0728 15.2445 15.2901 17.8071 17.9419 k = 0.5547 0.1308 0.2934 ( 2130 PWs) bands (ev): -48.6414 -48.6414 -23.0162 -23.0154 -15.3710 -15.3710 -15.3557 -15.3557 -8.0191 -8.0160 -7.9801 -7.9795 -7.0209 -7.0167 -6.9674 -6.9669 -6.9539 -6.9512 5.3113 5.4172 8.7971 8.8479 10.4395 10.4954 11.1428 11.1477 11.9219 11.9220 12.0840 12.0960 12.1947 12.2437 12.5982 12.6026 12.6722 12.7180 14.5535 14.6477 15.0173 15.0676 15.2679 15.3132 17.7428 17.8824 k = 0.5586 0.1195 0.2998 ( 2132 PWs) bands (ev): -48.6414 -48.6414 -23.0163 -23.0154 -15.3709 -15.3709 -15.3560 -15.3560 -8.0193 -8.0161 -7.9807 -7.9800 -7.0210 -7.0166 -6.9680 -6.9671 -6.9541 -6.9510 5.3345 5.4470 8.8213 8.8725 10.3759 10.4385 11.1597 11.1643 11.8966 11.9015 12.0768 12.0857 12.1883 12.2396 12.6070 12.6104 12.6736 12.7215 14.5357 14.6304 15.0091 15.0627 15.2941 15.3379 17.6754 17.8197 k = 0.5625 0.1083 0.3062 ( 2135 PWs) bands (ev): -48.6414 -48.6414 -23.0164 -23.0155 -15.3708 -15.3707 -15.3564 -15.3563 -8.0194 -8.0161 -7.9814 -7.9806 -7.0211 -7.0165 -6.9686 -6.9673 -6.9543 -6.9509 5.3588 5.4778 8.8458 8.8964 10.3124 10.3826 11.1775 11.1819 11.8712 11.8808 12.0696 12.0753 12.1822 12.2362 12.6156 12.6177 12.6740 12.7242 14.5161 14.6105 15.0011 15.0585 15.3227 15.3637 17.6057 17.7544 k = 0.5664 0.0970 0.3126 ( 2131 PWs) bands (ev): -48.6414 -48.6414 -23.0164 -23.0155 -15.3706 -15.3706 -15.3566 -15.3566 -8.0196 -8.0161 -7.9821 -7.9811 -7.0212 -7.0164 -6.9691 -6.9675 -6.9545 -6.9507 5.3842 5.5093 8.8700 8.9191 10.2500 10.3287 11.1962 11.2002 11.8460 11.8601 12.0623 12.0648 12.1763 12.2336 12.6238 12.6240 12.6742 12.7263 14.4949 14.5885 14.9938 15.0550 15.3532 15.3906 17.5342 17.6869 k = 0.5703 0.0857 0.3189 ( 2137 PWs) bands (ev): -48.6414 -48.6414 -23.0165 -23.0156 -15.3705 -15.3705 -15.3570 -15.3569 -8.0198 -8.0162 -7.9828 -7.9816 -7.0213 -7.0164 -6.9697 -6.9676 -6.9548 -6.9506 5.4105 5.5415 8.8933 8.9397 10.1895 10.2778 11.2156 11.2192 11.8211 11.8393 12.0541 12.0546 12.1708 12.2318 12.6282 12.6314 12.6748 12.7280 14.4721 14.5647 14.9874 15.0524 15.3851 15.4182 17.4613 17.6176 k = 0.5742 0.0744 0.3253 ( 2137 PWs) bands (ev): -48.6414 -48.6414 -23.0166 -23.0156 -15.3705 -15.3704 -15.3572 -15.3572 -8.0199 -8.0163 -7.9835 -7.9821 -7.0214 -7.0163 -6.9702 -6.9677 -6.9550 -6.9505 5.4375 5.5741 8.9147 8.9572 10.1323 10.2314 11.2357 11.2387 11.7968 11.8187 12.0433 12.0466 12.1656 12.2311 12.6294 12.6380 12.6771 12.7297 14.4483 14.5395 14.9820 15.0508 15.4180 15.4461 17.3874 17.5470 k = 0.5781 0.0631 0.3317 ( 2139 PWs) bands (ev): -48.6414 -48.6413 -23.0167 -23.0157 -15.3704 -15.3704 -15.3575 -15.3575 -8.0200 -8.0163 -7.9842 -7.9825 -7.0215 -7.0163 -6.9708 -6.9678 -6.9553 -6.9505 5.4649 5.6069 8.9333 8.9707 10.0797 10.1905 11.2563 11.2587 11.7731 11.7984 12.0322 12.0383 12.1609 12.2312 12.6269 12.6433 12.6816 12.7318 14.4236 14.5134 14.9779 15.0503 15.4514 15.4740 17.3131 17.4758 k = 0.5820 0.0519 0.3381 ( 2136 PWs) bands (ev): -48.6414 -48.6413 -23.0167 -23.0157 -15.3703 -15.3703 -15.3577 -15.3577 -8.0202 -8.0164 -7.9850 -7.9830 -7.0215 -7.0163 -6.9712 -6.9678 -6.9556 -6.9504 5.4927 5.6397 8.9479 8.9792 10.0331 10.1565 11.2773 11.2790 11.7503 11.7785 12.0211 12.0296 12.1567 12.2325 12.6213 12.6471 12.6878 12.7347 14.3985 14.4867 14.9752 15.0511 15.4847 15.5013 17.2387 17.4044 k = 0.5859 0.0406 0.3445 ( 2140 PWs) bands (ev): -48.6414 -48.6413 -23.0168 -23.0158 -15.3703 -15.3703 -15.3580 -15.3579 -8.0202 -8.0165 -7.9857 -7.9834 -7.0216 -7.0162 -6.9717 -6.9678 -6.9559 -6.9504 5.5205 5.6721 8.9572 8.9816 9.9941 10.1306 11.2985 11.2994 11.7284 11.7592 12.0098 12.0205 12.1530 12.2349 12.6131 12.6491 12.6951 12.7385 14.3732 14.4598 14.9741 15.0532 15.5176 15.5278 17.1649 17.3335 k = 0.5898 0.0293 0.3508 ( 2140 PWs) bands (ev): -48.6414 -48.6413 -23.0169 -23.0158 -15.3703 -15.3703 -15.3582 -15.3581 -8.0203 -8.0166 -7.9865 -7.9838 -7.0217 -7.0162 -6.9721 -6.9678 -6.9562 -6.9504 5.5482 5.7039 8.9600 8.9773 9.9643 10.1137 11.3199 11.3199 11.7077 11.7406 11.9983 12.0110 12.1496 12.2385 12.6030 12.6495 12.7027 12.7432 14.3481 14.4332 14.9748 15.0567 15.5493 15.5527 17.0922 17.2638 k = 0.5938 0.0180 0.3572 ( 2140 PWs) bands (ev): -48.6414 -48.6413 -23.0170 -23.0159 -15.3703 -15.3703 -15.3583 -15.3583 -8.0203 -8.0167 -7.9872 -7.9842 -7.0218 -7.0163 -6.9725 -6.9677 -6.9565 -6.9504 5.5754 5.7348 8.9554 8.9660 9.9448 10.1064 11.3403 11.3414 11.6883 11.7229 11.9868 12.0012 12.1466 12.2431 12.5915 12.6486 12.7105 12.7486 14.3235 14.4071 14.9774 15.0618 15.5755 15.5792 17.0213 17.1960 k = 0.5977 0.0068 0.3636 ( 2141 PWs) bands (ev): -48.6414 -48.6413 -23.0170 -23.0159 -15.3704 -15.3703 -15.3584 -15.3584 -8.0203 -8.0168 -7.9880 -7.9846 -7.0218 -7.0163 -6.9729 -6.9676 -6.9568 -6.9505 5.6018 5.7644 8.9428 8.9477 9.9363 10.1088 11.3605 11.3627 11.6703 11.7062 11.9753 11.9911 12.1438 12.2487 12.5790 12.6467 12.7181 12.7546 14.2997 14.3818 14.9820 15.0685 15.5955 15.6066 16.9530 17.1311 k = 0.6016-0.0045 0.3700 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0171 -23.0160 -15.3704 -15.3704 -15.3585 -15.3584 -8.0202 -8.0169 -7.9887 -7.9849 -7.0219 -7.0163 -6.9732 -6.9675 -6.9570 -6.9505 5.6272 5.7924 8.9226 8.9231 9.9390 10.1204 11.3801 11.3837 11.6539 11.6906 11.9637 11.9808 12.1412 12.2553 12.5658 12.6444 12.7254 12.7607 14.2769 14.3576 14.9888 15.0769 15.6122 15.6306 16.8883 17.0699 k = 0.6055-0.0158 0.3764 ( 2144 PWs) bands (ev): -48.6413 -48.6413 -23.0171 -23.0161 -15.3706 -15.3705 -15.3585 -15.3585 -8.0201 -8.0171 -7.9895 -7.9851 -7.0219 -7.0164 -6.9734 -6.9673 -6.9573 -6.9506 5.6512 5.8184 8.8931 8.8955 9.9522 10.1405 11.3992 11.4043 11.6392 11.6762 11.9523 11.9703 12.1385 12.2626 12.5522 12.6419 12.7321 12.7667 14.2554 14.3347 14.9980 15.0870 15.6246 15.6502 16.8284 17.0133 k = 0.6094-0.0271 0.3827 ( 2140 PWs) bands (ev): -48.6413 -48.6413 -23.0171 -23.0160 -15.3706 -15.3706 -15.3585 -15.3584 -8.0200 -8.0172 -7.9902 -7.9853 -7.0220 -7.0165 -6.9737 -6.9672 -6.9575 -6.9507 5.6735 5.8421 8.8590 8.8630 9.9749 10.1681 11.4173 11.4243 11.6265 11.6634 11.9411 11.9597 12.1357 12.2703 12.5389 12.6399 12.7384 12.7725 14.2354 14.3133 15.0096 15.0988 15.6323 15.6644 16.7743 16.9624 k = 0.6133-0.0383 0.3891 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0171 -23.0161 -15.3707 -15.3707 -15.3585 -15.3584 -8.0198 -8.0173 -7.9909 -7.9855 -7.0220 -7.0165 -6.9738 -6.9670 -6.9577 -6.9509 5.6936 5.8629 8.8219 8.8266 10.0058 10.2022 11.4344 11.4434 11.6159 11.6520 11.9301 11.9492 12.1326 12.2779 12.5263 12.6385 12.7439 12.7779 14.2171 14.2936 15.0238 15.1124 15.6347 15.6722 16.7274 16.9180 k = 0.6172-0.0496 0.3955 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0161 -15.3709 -15.3708 -15.3584 -15.3583 -8.0195 -8.0174 -7.9916 -7.9856 -7.0221 -7.0166 -6.9740 -6.9668 -6.9579 -6.9510 5.7113 5.8804 8.7832 8.7879 10.0436 10.2416 11.4500 11.4614 11.6076 11.6423 11.9194 11.9386 12.1290 12.2847 12.5154 12.6382 12.7489 12.7828 14.2005 14.2756 15.0405 15.1277 15.6314 15.6727 16.6889 16.8808 k = 0.6211-0.0609 0.4019 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0161 -15.3710 -15.3710 -15.3584 -15.3582 -8.0192 -8.0175 -7.9923 -7.9857 -7.0221 -7.0167 -6.9740 -6.9666 -6.9580 -6.9512 5.7260 5.8943 8.7440 8.7484 10.0871 10.2853 11.4641 11.4781 11.6016 11.6345 11.9092 11.9283 12.1247 12.2898 12.5071 12.6392 12.7532 12.7871 14.1859 14.2595 15.0600 15.1443 15.6226 15.6652 16.6594 16.8513 k = 0.6250-0.0722 0.4082 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3712 -15.3712 -15.3582 -15.3581 -8.0189 -8.0175 -7.9930 -7.9858 -7.0221 -7.0168 -6.9741 -6.9665 -6.9581 -6.9513 5.7375 5.9041 8.7054 8.7094 10.1351 10.3325 11.4763 11.4932 11.5982 11.6286 11.8993 11.9181 12.1197 12.2920 12.5028 12.6417 12.7569 12.7908 14.1732 14.2453 15.0822 15.1621 15.6089 15.6499 16.6395 16.8296 k = 0.6250-0.0722 0.4082 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3712 -15.3712 -15.3582 -15.3581 -8.0189 -8.0175 -7.9930 -7.9858 -7.0221 -7.0168 -6.9741 -6.9665 -6.9581 -6.9513 5.7375 5.9041 8.7054 8.7094 10.1351 10.3325 11.4763 11.4932 11.5982 11.6286 11.8993 11.9181 12.1197 12.2920 12.5028 12.6417 12.7569 12.7908 14.1732 14.2453 15.0822 15.1621 15.6089 15.6499 16.6395 16.8296 k = 0.6184-0.0684 0.4190 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3712 -15.3711 -15.3583 -15.3581 -8.0189 -8.0175 -7.9931 -7.9857 -7.0221 -7.0168 -6.9741 -6.9664 -6.9581 -6.9513 5.7378 5.9046 8.7070 8.7113 10.1325 10.3290 11.4702 11.5020 11.5977 11.6288 11.8996 11.9184 12.1193 12.2913 12.5025 12.6412 12.7552 12.7897 14.1740 14.2459 15.0830 15.1636 15.6079 15.6507 16.6303 16.8245 k = 0.6118-0.0646 0.4297 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3712 -15.3711 -15.3583 -15.3581 -8.0190 -8.0173 -7.9934 -7.9854 -7.0221 -7.0168 -6.9742 -6.9664 -6.9582 -6.9513 5.7387 5.9060 8.7116 8.7170 10.1248 10.3184 11.4621 11.5180 11.5962 11.6295 11.9004 11.9194 12.1182 12.2893 12.5016 12.6396 12.7500 12.7865 14.1762 14.2475 15.0853 15.1682 15.6053 15.6530 16.6052 16.8085 k = 0.6053-0.0608 0.4405 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3711 -15.3711 -15.3584 -15.3582 -8.0191 -8.0171 -7.9940 -7.9851 -7.0221 -7.0167 -6.9743 -6.9663 -6.9583 -6.9512 5.7402 5.9083 8.7195 8.7263 10.1121 10.3010 11.4560 11.5365 11.5941 11.6308 11.9017 11.9211 12.1162 12.2860 12.5000 12.6368 12.7418 12.7814 14.1798 14.2501 15.0892 15.1757 15.6015 15.6566 16.5686 16.7817 k = 0.5987-0.0570 0.4512 ( 2142 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3710 -15.3710 -15.3585 -15.3583 -8.0193 -8.0169 -7.9946 -7.9846 -7.0221 -7.0167 -6.9744 -6.9662 -6.9585 -6.9511 5.7423 5.9115 8.7307 8.7391 10.0944 10.2772 11.4522 11.5557 11.5919 11.6333 11.9035 11.9235 12.1136 12.2815 12.4977 12.6327 12.7308 12.7747 14.1845 14.2535 15.0942 15.1859 15.5972 15.6614 16.5250 16.7458 k = 0.5921-0.0532 0.4620 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0161 -15.3710 -15.3709 -15.3586 -15.3583 -8.0194 -8.0166 -7.9953 -7.9842 -7.0221 -7.0167 -6.9746 -6.9661 -6.9586 -6.9510 5.7449 5.9155 8.7450 8.7554 10.0722 10.2474 11.4506 11.5721 11.5915 11.6381 11.9058 11.9265 12.1104 12.2757 12.4947 12.6271 12.7179 12.7669 14.1901 14.2574 15.1002 15.1983 15.5929 15.6675 16.4774 16.7035 k = 0.5855-0.0494 0.4727 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0173 -23.0162 -15.3709 -15.3708 -15.3588 -15.3584 -8.0195 -8.0163 -7.9961 -7.9837 -7.0221 -7.0166 -6.9748 -6.9660 -6.9589 -6.9509 5.7480 5.9203 8.7623 8.7751 10.0455 10.2122 11.4507 11.5783 11.5973 11.6480 11.9086 11.9302 12.1065 12.2688 12.4908 12.6198 12.7035 12.7584 14.1964 14.2618 15.1069 15.2125 15.5894 15.6752 16.4279 16.6572 k = 0.5789-0.0456 0.4835 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0173 -23.0162 -15.3708 -15.3707 -15.3589 -15.3585 -8.0197 -8.0160 -7.9970 -7.9833 -7.0222 -7.0166 -6.9751 -6.9658 -6.9591 -6.9507 5.7515 5.9257 8.7827 8.7982 10.0146 10.1722 11.4520 11.5776 11.6038 11.6652 11.9119 11.9344 12.1021 12.2608 12.4859 12.6104 12.6888 12.7498 14.2031 14.2663 15.1138 15.2280 15.5871 15.6850 16.3777 16.6086 k = 0.5724-0.0418 0.4942 ( 2144 PWs) bands (ev): -48.6413 -48.6413 -23.0173 -23.0162 -15.3707 -15.3706 -15.3591 -15.3587 -8.0198 -8.0157 -7.9978 -7.9828 -7.0222 -7.0165 -6.9753 -6.9656 -6.9594 -6.9506 5.7555 5.9317 8.8059 8.8247 9.9799 10.1280 11.4539 11.5761 11.6067 11.6879 11.9156 11.9391 12.0973 12.2519 12.4798 12.5992 12.6744 12.7413 14.2098 14.2707 15.1206 15.2439 15.5869 15.6971 16.3276 16.5586 k = 0.5658-0.0380 0.5049 ( 2142 PWs) bands (ev): -48.6413 -48.6413 -23.0173 -23.0162 -15.3706 -15.3704 -15.3593 -15.3588 -8.0198 -8.0155 -7.9986 -7.9824 -7.0222 -7.0164 -6.9755 -6.9654 -6.9596 -6.9504 5.7598 5.9381 8.8317 8.8543 9.9416 10.0805 11.4558 11.5752 11.6072 11.7134 11.9198 11.9444 12.0922 12.2421 12.4723 12.5862 12.6609 12.7335 14.2164 14.2750 15.1270 15.2595 15.5895 15.7119 16.2781 16.5080 k = 0.5592-0.0342 0.5157 ( 2145 PWs) bands (ev): -48.6413 -48.6413 -23.0174 -23.0162 -15.3705 -15.3703 -15.3595 -15.3590 -8.0199 -8.0152 -7.9994 -7.9821 -7.0222 -7.0164 -6.9758 -6.9652 -6.9599 -6.9503 5.7643 5.9448 8.8599 8.8869 9.9000 10.0305 11.4573 11.5754 11.6065 11.7399 11.9243 11.9500 12.0868 12.2316 12.4633 12.5723 12.6487 12.7265 14.2227 14.2790 15.1327 15.2740 15.5955 15.7296 16.2298 16.4574 k = 0.5526-0.0304 0.5264 ( 2153 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3704 -15.3702 -15.3598 -15.3592 -8.0200 -8.0150 -8.0001 -7.9818 -7.0222 -7.0163 -6.9760 -6.9650 -6.9603 -6.9502 5.7689 5.9517 8.8900 8.9225 9.8554 9.9789 11.4579 11.5767 11.6051 11.7662 11.9291 11.9559 12.0814 12.2207 12.4527 12.5583 12.6376 12.7204 14.2285 14.2825 15.1376 15.2867 15.6054 15.7503 16.1829 16.4069 k = 0.5461-0.0266 0.5372 ( 2155 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0164 -15.3703 -15.3701 -15.3600 -15.3594 -8.0200 -8.0147 -8.0008 -7.9815 -7.0222 -7.0163 -6.9762 -6.9648 -6.9606 -6.9501 5.7735 5.9585 8.9216 8.9607 9.8082 9.9269 11.4576 11.5790 11.6036 11.7917 11.9343 11.9621 12.0760 12.2096 12.4405 12.5451 12.6280 12.7152 14.2337 14.2856 15.1417 15.2972 15.6194 15.7738 16.1379 16.3569 k = 0.5395-0.0228 0.5479 ( 2155 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0164 -15.3702 -15.3700 -15.3602 -15.3596 -8.0200 -8.0146 -8.0014 -7.9813 -7.0222 -7.0162 -6.9764 -6.9646 -6.9609 -6.9499 5.7781 5.9651 8.9541 9.0012 9.7587 9.8757 11.4566 11.5818 11.6023 11.8156 11.9397 11.9685 12.0707 12.1987 12.4272 12.5333 12.6196 12.7108 14.2382 14.2882 15.1451 15.3052 15.6373 15.7997 16.0952 16.3077 k = 0.5329-0.0190 0.5587 ( 2159 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0164 -15.3701 -15.3699 -15.3603 -15.3597 -8.0200 -8.0144 -8.0019 -7.9811 -7.0223 -7.0162 -6.9766 -6.9643 -6.9612 -6.9499 5.7824 5.9714 8.9866 9.0434 9.7077 9.8267 11.4550 11.5843 11.6017 11.8372 11.9451 11.9751 12.0654 12.1883 12.4135 12.5233 12.6124 12.7073 14.2420 14.2903 15.1478 15.3111 15.6583 15.8273 16.0556 16.2596 k = 0.5263-0.0152 0.5694 ( 2159 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0164 -15.3700 -15.3698 -15.3605 -15.3598 -8.0200 -8.0143 -8.0023 -7.9810 -7.0223 -7.0161 -6.9768 -6.9641 -6.9616 -6.9498 5.7864 5.9770 9.0177 9.0865 9.6562 9.7818 11.4532 11.5859 11.6022 11.8557 11.9504 11.9821 12.0601 12.1791 12.4002 12.5150 12.6066 12.7045 14.2450 14.2919 15.1500 15.3151 15.6811 15.8551 16.0208 16.2130 k = 0.5197-0.0114 0.5801 ( 2158 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0164 -15.3699 -15.3697 -15.3606 -15.3599 -8.0200 -8.0143 -8.0027 -7.9809 -7.0223 -7.0161 -6.9769 -6.9638 -6.9619 -6.9497 5.7898 5.9818 9.0459 9.1287 9.6064 9.7427 11.4514 11.5864 11.6036 11.8704 11.9552 11.9893 12.0547 12.1716 12.3884 12.5085 12.6020 12.7024 14.2473 14.2931 15.1518 15.3177 15.7041 15.8801 15.9940 16.1688 k = 0.5132-0.0076 0.5909 ( 2154 PWs) bands (ev): -48.6413 -48.6413 -23.0176 -23.0164 -15.3698 -15.3696 -15.3606 -15.3599 -8.0200 -8.0143 -8.0029 -7.9808 -7.0223 -7.0161 -6.9770 -6.9635 -6.9622 -6.9497 5.7925 5.9856 9.0689 9.1672 9.5619 9.7119 11.4500 11.5862 11.6052 11.8810 11.9590 11.9964 12.0493 12.1662 12.3791 12.5038 12.5988 12.7009 14.2489 14.2939 15.1533 15.3193 15.7244 15.8962 15.9817 16.1285 k = 0.5066-0.0038 0.6016 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3698 -15.3696 -15.3606 -15.3599 -8.0200 -8.0143 -8.0030 -7.9807 -7.0223 -7.0161 -6.9771 -6.9632 -6.9626 -6.9496 5.7942 5.9880 9.0844 9.1962 9.5287 9.6918 11.4490 11.5860 11.6065 11.8872 11.9617 12.0020 12.0448 12.1631 12.3729 12.5010 12.5969 12.7000 14.2498 14.2943 15.1543 15.3202 15.7386 15.8997 15.9864 16.0965 k = 0.5000-0.0000 0.6124 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3698 -15.3696 -15.3606 -15.3599 -8.0200 -8.0143 -8.0030 -7.9807 -7.0223 -7.0161 -6.9771 -6.9629 -6.9629 -6.9496 5.7949 5.9889 9.0898 9.2075 9.5159 9.6848 11.4487 11.5859 11.6069 11.8892 11.9626 12.0042 12.0430 12.1621 12.3708 12.5000 12.5962 12.6997 14.2501 14.2944 15.1547 15.3205 15.7436 15.8994 15.9920 16.0831 k = 0.5000-0.0000 0.6124 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3698 -15.3696 -15.3606 -15.3599 -8.0200 -8.0143 -8.0030 -7.9807 -7.0223 -7.0161 -6.9771 -6.9629 -6.9629 -6.9496 5.7949 5.9889 9.0898 9.2075 9.5159 9.6848 11.4487 11.5859 11.6069 11.8892 11.9626 12.0042 12.0430 12.1621 12.3708 12.5000 12.5962 12.6997 14.2501 14.2944 15.1547 15.3205 15.7436 15.8994 15.9920 16.0831 k = 0.5000 0.0078 0.6013 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3698 -15.3695 -15.3606 -15.3599 -8.0200 -8.0143 -8.0029 -7.9807 -7.0223 -7.0161 -6.9770 -6.9634 -6.9624 -6.9496 5.7933 5.9872 9.0909 9.2084 9.5161 9.6849 11.4492 11.5862 11.6058 11.8854 11.9628 12.0021 12.0455 12.1631 12.3740 12.5010 12.5965 12.6999 14.2506 14.2951 15.1536 15.3196 15.7345 15.8973 15.9858 16.1084 k = 0.5000 0.0156 0.5903 ( 2152 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3698 -15.3696 -15.3606 -15.3599 -8.0201 -8.0144 -8.0027 -7.9807 -7.0223 -7.0161 -6.9770 -6.9638 -6.9619 -6.9496 5.7886 5.9819 9.0940 9.2110 9.5171 9.6854 11.4505 11.5864 11.6033 11.8736 11.9635 11.9978 12.0513 12.1655 12.3833 12.5040 12.5973 12.7005 14.2520 14.2970 15.1505 15.3169 15.7127 15.8755 16.0011 16.1605 k = 0.5000 0.0234 0.5793 ( 2152 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3698 -15.3696 -15.3606 -15.3599 -8.0201 -8.0145 -8.0022 -7.9807 -7.0223 -7.0161 -6.9769 -6.9642 -6.9615 -6.9497 5.7808 5.9733 9.0988 9.2145 9.5195 9.6865 11.4521 11.5845 11.6024 11.8545 11.9649 11.9944 12.0583 12.1689 12.3979 12.5090 12.5987 12.7014 14.2543 14.3002 15.1457 15.3125 15.6858 15.8376 16.0430 16.2223 k = 0.5000 0.0312 0.5682 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0175 -23.0163 -15.3697 -15.3695 -15.3605 -15.3598 -8.0202 -8.0146 -8.0016 -7.9807 -7.0222 -7.0160 -6.9767 -6.9647 -6.9610 -6.9497 5.7701 5.9613 9.1048 9.2179 9.5243 9.6888 11.4530 11.5795 11.6052 11.8292 11.9673 11.9926 12.0658 12.1726 12.4164 12.5157 12.6007 12.7028 14.2577 14.3048 15.1394 15.3066 15.6580 15.7962 16.0984 16.2895 k = 0.5000 0.0390 0.5572 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0174 -23.0162 -15.3697 -15.3695 -15.3604 -15.3598 -8.0202 -8.0148 -8.0009 -7.9807 -7.0222 -7.0160 -6.9765 -6.9651 -6.9605 -6.9497 5.7566 5.9462 9.1113 9.2200 9.5327 9.6930 11.4516 11.5744 11.6106 11.7996 11.9706 11.9925 12.0733 12.1762 12.4373 12.5238 12.6031 12.7044 14.2622 14.3108 15.1322 15.2994 15.6305 15.7552 16.1621 16.3608 k = 0.5000 0.0468 0.5462 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0174 -23.0162 -15.3698 -15.3695 -15.3604 -15.3597 -8.0203 -8.0149 -8.0000 -7.9806 -7.0222 -7.0160 -6.9763 -6.9654 -6.9600 -6.9497 5.7406 5.9282 9.1173 9.2194 9.5459 9.7000 11.4461 11.5724 11.6169 11.7678 11.9746 11.9936 12.0809 12.1796 12.4595 12.5330 12.6060 12.7063 14.2679 14.3184 15.1245 15.2911 15.6038 15.7160 16.2320 16.4355 k = 0.5000 0.0546 0.5351 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0174 -23.0162 -15.3698 -15.3695 -15.3603 -15.3596 -8.0204 -8.0151 -7.9991 -7.9806 -7.0221 -7.0160 -6.9760 -6.9658 -6.9595 -6.9497 5.7221 5.9074 9.1219 9.2152 9.5649 9.7108 11.4356 11.5752 11.6226 11.7363 11.9792 11.9956 12.0885 12.1830 12.4818 12.5430 12.6093 12.7085 14.2750 14.3275 15.1168 15.2819 15.5777 15.6788 16.3069 16.5133 k = 0.5000 0.0624 0.5241 ( 2150 PWs) bands (ev): -48.6413 -48.6413 -23.0174 -23.0162 -15.3698 -15.3695 -15.3602 -15.3596 -8.0204 -8.0152 -7.9981 -7.9806 -7.0221 -7.0160 -6.9757 -6.9661 -6.9590 -6.9497 5.7016 5.8842 9.1238 9.2069 9.5902 9.7264 11.4204 11.5830 11.6237 11.7097 11.9843 11.9984 12.0959 12.1862 12.5034 12.5535 12.6130 12.7108 14.2835 14.3384 15.1093 15.2721 15.5521 15.6436 16.3861 16.5938 k = 0.5000 0.0702 0.5131 ( 2152 PWs) bands (ev): -48.6413 -48.6413 -23.0173 -23.0162 -15.3698 -15.3695 -15.3600 -15.3594 -8.0205 -8.0154 -7.9970 -7.9805 -7.0220 -7.0160 -6.9753 -6.9664 -6.9586 -6.9498 5.6792 5.8587 9.1222 9.1947 9.6216 9.7477 11.4015 11.5951 11.6128 11.6958 11.9899 12.0019 12.1031 12.1894 12.5236 12.5639 12.6172 12.7132 14.2935 14.3509 15.1023 15.2620 15.5265 15.6106 16.4689 16.6766 k = 0.5000 0.0780 0.5020 ( 2148 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0161 -15.3698 -15.3695 -15.3598 -15.3592 -8.0205 -8.0155 -7.9959 -7.9804 -7.0220 -7.0160 -6.9749 -6.9667 -6.9581 -6.9498 5.6552 5.8314 9.1163 9.1792 9.6587 9.7752 11.3801 11.5878 11.6105 11.6970 11.9959 12.0060 12.1102 12.1927 12.5416 12.5741 12.6220 12.7158 14.3051 14.3653 15.0960 15.2516 15.5009 15.5795 16.5549 16.7614 k = 0.5000 0.0858 0.4910 ( 2150 PWs) bands (ev): -48.6414 -48.6413 -23.0172 -23.0161 -15.3698 -15.3696 -15.3596 -15.3591 -8.0206 -8.0155 -7.9947 -7.9803 -7.0219 -7.0160 -6.9745 -6.9669 -6.9577 -6.9498 5.6298 5.8023 9.1055 9.1611 9.7008 9.8090 11.3573 11.5558 11.6283 11.7066 12.0022 12.0106 12.1171 12.1960 12.5572 12.5835 12.6274 12.7183 14.3183 14.3814 15.0903 15.2411 15.4750 15.5503 16.6433 16.8478 k = 0.5000 0.0936 0.4800 ( 2144 PWs) bands (ev): -48.6414 -48.6413 -23.0171 -23.0160 -15.3699 -15.3696 -15.3593 -15.3588 -8.0206 -8.0156 -7.9935 -7.9803 -7.0218 -7.0160 -6.9740 -6.9671 -6.9573 -6.9499 5.6035 5.7719 9.0899 9.1411 9.7473 9.8489 11.3338 11.5214 11.6481 11.7202 12.0088 12.0156 12.1238 12.1994 12.5700 12.5918 12.6337 12.7209 14.3331 14.3994 15.0854 15.2308 15.4489 15.5226 16.7339 16.9357 k = 0.5000 0.1014 0.4689 ( 2144 PWs) bands (ev): -48.6414 -48.6413 -23.0170 -23.0159 -15.3699 -15.3697 -15.3591 -15.3586 -8.0205 -8.0157 -7.9924 -7.9801 -7.0218 -7.0160 -6.9735 -6.9672 -6.9568 -6.9500 5.5763 5.7403 9.0700 9.1196 9.7978 9.8945 11.3099 11.4866 11.6693 11.7357 12.0156 12.0211 12.1304 12.2029 12.5801 12.5985 12.6406 12.7234 14.3494 14.4189 15.0810 15.2207 15.4225 15.4965 16.8259 17.0244 k = 0.5000 0.1092 0.4579 ( 2140 PWs) bands (ev): -48.6414 -48.6413 -23.0169 -23.0158 -15.3700 -15.3698 -15.3588 -15.3584 -8.0205 -8.0157 -7.9912 -7.9800 -7.0217 -7.0160 -6.9730 -6.9674 -6.9564 -6.9500 5.5486 5.7079 9.0467 9.0966 9.8519 9.9449 11.2862 11.4522 11.6918 11.7526 12.0225 12.0270 12.1368 12.2065 12.5876 12.6035 12.6480 12.7257 14.3672 14.4400 15.0771 15.2109 15.3960 15.4716 16.9189 17.1138 k = 0.5000 0.1170 0.4469 ( 2140 PWs) bands (ev): -48.6414 -48.6413 -23.0169 -23.0158 -15.3701 -15.3699 -15.3585 -15.3581 -8.0204 -8.0158 -7.9900 -7.9799 -7.0216 -7.0161 -6.9725 -6.9675 -6.9561 -6.9501 5.5205 5.6750 9.0210 9.0723 9.9090 9.9993 11.2628 11.4185 11.7152 11.7705 12.0294 12.0335 12.1432 12.2103 12.5928 12.6070 12.6553 12.7277 14.3863 14.4624 15.0736 15.2016 15.3696 15.4478 17.0123 17.2033 k = 0.5000 0.1248 0.4358 ( 2140 PWs) bands (ev): -48.6414 -48.6413 -23.0168 -23.0157 -15.3701 -15.3700 -15.3582 -15.3579 -8.0203 -8.0158 -7.9888 -7.9797 -7.0215 -7.0161 -6.9719 -6.9675 -6.9557 -6.9502 5.4924 5.6416 8.9937 9.0466 9.9687 10.0571 11.2400 11.3858 11.7393 11.7891 12.0361 12.0406 12.1495 12.2143 12.5959 12.6091 12.6621 12.7294 14.4064 14.4857 15.0703 15.1926 15.3436 15.4249 17.1056 17.2925 k = 0.5000 0.1326 0.4248 ( 2142 PWs) bands (ev): -48.6414 -48.6413 -23.0167 -23.0157 -15.3703 -15.3701 -15.3579 -15.3576 -8.0202 -8.0158 -7.9876 -7.9796 -7.0215 -7.0162 -6.9713 -6.9675 -6.9554 -6.9503 5.4645 5.6082 8.9654 9.0199 10.0307 10.1174 11.2179 11.3543 11.7640 11.8083 12.0427 12.0483 12.1557 12.2184 12.5973 12.6099 12.6679 12.7306 14.4273 14.5098 15.0671 15.1842 15.3181 15.4029 17.1984 17.3810 k = 0.5000 0.1404 0.4138 ( 2132 PWs) bands (ev): -48.6414 -48.6413 -23.0165 -23.0156 -15.3703 -15.3702 -15.3575 -15.3572 -8.0200 -8.0159 -7.9865 -7.9794 -7.0214 -7.0162 -6.9707 -6.9675 -6.9550 -6.9504 5.4370 5.5749 8.9367 8.9923 10.0946 10.1796 11.1968 11.3241 11.7891 11.8281 12.0493 12.0563 12.1621 12.2227 12.5973 12.6095 12.6727 12.7313 14.4486 14.5342 15.0641 15.1763 15.2935 15.3817 17.2899 17.4682 k = 0.5000 0.1482 0.4027 ( 2138 PWs) bands (ev): -48.6414 -48.6414 -23.0166 -23.0156 -15.3705 -15.3704 -15.3572 -15.3570 -8.0199 -8.0159 -7.9854 -7.9792 -7.0213 -7.0163 -6.9701 -6.9674 -6.9548 -6.9506 5.4099 5.5419 8.9080 8.9642 10.1597 10.2431 11.1765 11.2951 11.8145 11.8482 12.0559 12.0646 12.1684 12.2270 12.5958 12.6079 12.6761 12.7312 14.4701 14.5584 15.0611 15.1687 15.2701 15.3612 17.3798 17.5536 k = 0.5000 0.1560 0.3917 ( 2142 PWs) bands (ev): -48.6414 -48.6414 -23.0165 -23.0156 -15.3707 -15.3706 -15.3569 -15.3567 -8.0197 -8.0159 -7.9843 -7.9790 -7.0212 -7.0164 -6.9695 -6.9673 -6.9545 -6.9507 5.3837 5.5095 8.8796 8.9359 10.2257 10.3072 11.1574 11.2677 11.8399 11.8686 12.0625 12.0730 12.1747 12.2315 12.5934 12.6054 12.6783 12.7303 14.4912 14.5820 15.0584 15.1614 15.2484 15.3415 17.4674 17.6366 k = 0.5000 0.1638 0.3807 ( 2142 PWs) bands (ev): -48.6414 -48.6414 -23.0165 -23.0156 -15.3708 -15.3707 -15.3565 -15.3563 -8.0195 -8.0159 -7.9833 -7.9787 -7.0211 -7.0165 -6.9688 -6.9671 -6.9542 -6.9509 5.3583 5.4777 8.8518 8.9077 10.2920 10.3713 11.1394 11.2417 11.8652 11.8894 12.0691 12.0817 12.1810 12.2362 12.5900 12.6020 12.6791 12.7284 14.5117 14.6044 15.0559 15.1543 15.2288 15.3226 17.5521 17.7166 k = 0.5000 0.1716 0.3696 ( 2136 PWs) bands (ev): -48.6414 -48.6414 -23.0163 -23.0155 -15.3709 -15.3708 -15.3561 -15.3560 -8.0193 -8.0159 -7.9823 -7.9785 -7.0210 -7.0166 -6.9682 -6.9670 -6.9540 -6.9510 5.3340 5.4468 8.8250 8.8798 10.3583 10.4350 11.1227 11.2172 11.8901 11.9106 12.0760 12.0906 12.1875 12.2410 12.5859 12.5978 12.6786 12.7255 14.5312 14.6250 15.0540 15.1470 15.2118 15.3044 17.6335 17.7929 k = 0.5000 0.1794 0.3586 ( 2136 PWs) bands (ev): -48.6414 -48.6414 -23.0162 -23.0154 -15.3711 -15.3710 -15.3558 -15.3557 -8.0191 -8.0159 -7.9814 -7.9782 -7.0209 -7.0167 -6.9676 -6.9667 -6.9538 -6.9512 5.3109 5.4169 8.7992 8.8525 10.4238 10.4976 11.1073 11.1943 11.9142 11.9322 12.0829 12.0996 12.1940 12.2460 12.5810 12.5930 12.6767 12.7216 14.5492 14.6433 15.0528 15.1394 15.1979 15.2870 17.7109 17.8650 k = 0.5000 0.1872 0.3476 ( 2134 PWs) bands (ev): -48.6414 -48.6414 -23.0161 -23.0154 -15.3712 -15.3711 -15.3555 -15.3554 -8.0189 -8.0159 -7.9806 -7.9779 -7.0208 -7.0169 -6.9670 -6.9665 -6.9536 -6.9514 5.2891 5.3882 8.7747 8.8260 10.4881 10.5585 11.0933 11.1729 11.9370 11.9542 12.0902 12.1089 12.2006 12.2512 12.5757 12.5878 12.6733 12.7165 14.5655 14.6589 15.0523 15.1317 15.1871 15.2704 17.7836 17.9324 k = 0.5000 0.1951 0.3365 ( 2132 PWs) bands (ev): -48.6414 -48.6414 -23.0161 -23.0153 -15.3713 -15.3712 -15.3552 -15.3551 -8.0187 -8.0160 -7.9798 -7.9777 -7.0207 -7.0170 -6.9665 -6.9661 -6.9535 -6.9516 5.2688 5.3608 8.7517 8.8005 10.5506 10.6172 11.0809 11.1532 11.9584 11.9765 12.0979 12.1184 12.2073 12.2566 12.5699 12.5821 12.6686 12.7102 14.5798 14.6714 15.0526 15.1243 15.1793 15.2547 17.8507 17.9946 k = 0.5000 0.2029 0.3255 ( 2138 PWs) bands (ev): -48.6415 -48.6414 -23.0161 -23.0154 -15.3715 -15.3714 -15.3549 -15.3548 -8.0185 -8.0160 -7.9790 -7.9774 -7.0206 -7.0171 -6.9661 -6.9657 -6.9533 -6.9518 5.2500 5.3349 8.7302 8.7762 10.6107 10.6729 11.0700 11.1351 11.9781 11.9982 12.1064 12.1282 12.2140 12.2622 12.5639 12.5761 12.6625 12.7027 14.5921 14.6804 15.0537 15.1179 15.1739 15.2400 17.9109 18.0515 k = 0.5000 0.2107 0.3145 ( 2134 PWs) bands (ev): -48.6415 -48.6414 -23.0159 -23.0153 -15.3716 -15.3715 -15.3546 -15.3545 -8.0183 -8.0160 -7.9784 -7.9771 -7.0205 -7.0173 -6.9658 -6.9652 -6.9532 -6.9520 5.2330 5.3105 8.7104 8.7533 10.6678 10.7252 11.0609 11.1188 11.9965 12.0186 12.1162 12.1384 12.2210 12.2682 12.5576 12.5697 12.6552 12.6941 14.6023 14.6862 15.0554 15.1129 15.1704 15.2263 17.9619 18.1031 k = 0.5000 0.2185 0.3034 ( 2130 PWs) bands (ev): -48.6415 -48.6414 -23.0158 -23.0153 -15.3717 -15.3716 -15.3543 -15.3543 -8.0181 -8.0160 -7.9778 -7.9768 -7.0203 -7.0175 -6.9654 -6.9647 -6.9532 -6.9522 5.2176 5.2877 8.6925 8.7319 10.7212 10.7731 11.0539 11.1044 12.0133 12.0366 12.1276 12.1488 12.2284 12.2748 12.5512 12.5631 12.6469 12.6845 14.6105 14.6887 15.0576 15.1094 15.1684 15.2138 17.9994 18.1492 k = 0.5000 0.2263 0.2924 ( 2130 PWs) bands (ev): -48.6415 -48.6414 -23.0158 -23.0153 -15.3718 -15.3718 -15.3540 -15.3540 -8.0179 -8.0161 -7.9772 -7.9766 -7.0202 -7.0176 -6.9651 -6.9643 -6.9531 -6.9524 5.2041 5.2667 8.6765 8.7121 10.7702 10.8160 11.0491 11.0920 12.0284 12.0517 12.1406 12.1593 12.2364 12.2818 12.5448 12.5561 12.6379 12.6739 14.6171 14.6885 15.0602 15.1073 15.1674 15.2026 18.0161 18.1706 k = 0.5000 0.2341 0.2814 ( 2126 PWs) bands (ev): -48.6415 -48.6415 -23.0157 -23.0152 -15.3719 -15.3718 -15.3538 -15.3538 -8.0177 -8.0161 -7.9768 -7.9763 -7.0201 -7.0178 -6.9648 -6.9639 -6.9531 -6.9526 5.1925 5.2474 8.6625 8.6941 10.8142 10.8531 11.0469 11.0818 12.0417 12.0635 12.1550 12.1697 12.2453 12.2896 12.5382 12.5487 12.6284 12.6625 14.6223 14.6861 15.0630 15.1059 15.1673 15.1929 18.0074 18.1075 k = 0.5000 0.2419 0.2703 ( 2120 PWs) bands (ev): -48.6415 -48.6414 -23.0155 -23.0151 -15.3719 -15.3719 -15.3535 -15.3535 -8.0176 -8.0162 -7.9764 -7.9761 -7.0199 -7.0180 -6.9645 -6.9636 -6.9531 -6.9527 5.1829 5.2301 8.6505 8.6780 10.8522 10.8835 11.0477 11.0743 12.0532 12.0724 12.1695 12.1797 12.2558 12.2982 12.5315 12.5407 12.6191 12.6508 14.6265 14.6819 15.0659 15.1048 15.1676 15.1850 17.9813 18.0506 k = 0.5000 0.2497 0.2593 ( 2128 PWs) bands (ev): -48.6415 -48.6415 -23.0156 -23.0152 -15.3720 -15.3720 -15.3535 -15.3535 -8.0174 -8.0162 -7.9760 -7.9759 -7.0198 -7.0181 -6.9641 -6.9633 -6.9531 -6.9529 5.1753 5.2147 8.6407 8.6638 10.8834 10.9068 11.0514 11.0696 12.0628 12.0788 12.1825 12.1887 12.2679 12.3074 12.5246 12.5321 12.6106 12.6389 14.6299 14.6765 15.0691 15.1034 15.1682 15.1788 17.9500 18.0009 k = 0.5000 0.2575 0.2483 ( 2128 PWs) bands (ev): -48.6415 -48.6415 -23.0155 -23.0153 -15.3721 -15.3721 -15.3533 -15.3533 -8.0172 -8.0163 -7.9758 -7.9757 -7.0196 -7.0183 -6.9639 -6.9631 -6.9531 -6.9530 5.1697 5.2013 8.6330 8.6517 10.9075 10.9234 11.0573 11.0679 12.0708 12.0833 12.1933 12.1964 12.2819 12.3167 12.5177 12.5230 12.6035 12.6276 14.6331 14.6706 15.0724 15.1014 15.1689 15.1745 17.9210 17.9588 k = 0.5000 0.2653 0.2372 ( 2128 PWs) bands (ev): -48.6415 -48.6415 -23.0155 -23.0153 -15.3721 -15.3721 -15.3532 -15.3532 -8.0171 -8.0164 -7.9756 -7.9755 -7.0195 -7.0185 -6.9636 -6.9630 -6.9531 -6.9531 5.1662 5.1900 8.6275 8.6417 10.9244 10.9343 11.0641 11.0690 12.0770 12.0863 12.2012 12.2025 12.2968 12.3252 12.5109 12.5139 12.5984 12.6173 14.6362 14.6645 15.0760 15.0986 15.1694 15.1718 17.8976 17.9249 k = 0.5000 0.2731 0.2262 ( 2128 PWs) bands (ev): -48.6415 -48.6415 -23.0154 -23.0153 -15.3722 -15.3722 -15.3532 -15.3532 -8.0169 -8.0165 -7.9754 -7.9754 -7.0193 -7.0187 -6.9633 -6.9629 -6.9531 -6.9531 5.1648 5.1807 8.6243 8.6338 10.9351 10.9408 11.0701 11.0716 12.0818 12.0879 12.2066 12.2069 12.3112 12.3315 12.5048 12.5059 12.5956 12.6085 14.6396 14.6585 15.0796 15.0952 15.1698 15.1705 17.8814 17.8993 k = 0.5000 0.2809 0.2152 ( 2128 PWs) bands (ev): -48.6415 -48.6415 -23.0154 -23.0153 -15.3722 -15.3722 -15.3531 -15.3531 -8.0168 -8.0166 -7.9753 -7.9753 -7.0192 -7.0188 -6.9632 -6.9629 -6.9532 -6.9532 5.1656 5.1735 8.6233 8.6281 10.9412 10.9438 11.0741 11.0743 12.0852 12.0882 12.2096 12.2096 12.3233 12.3340 12.5002 12.5004 12.5952 12.6018 14.6435 14.6529 15.0835 15.0914 15.1699 15.1700 17.8732 17.8821 k = 0.5000 0.2887 0.2041 ( 2120 PWs) bands (ev): -48.6415 -48.6415 -23.0153 -23.0153 -15.3722 -15.3722 -15.3530 -15.3530 -8.0167 -8.0167 -7.9753 -7.9753 -7.0190 -7.0190 -6.9630 -6.9630 -6.9532 -6.9532 5.1685 5.1685 8.6246 8.6246 10.9439 10.9439 11.0754 11.0754 12.0874 12.0874 12.2106 12.2106 12.3313 12.3313 12.4985 12.4985 12.5973 12.5973 14.6479 14.6479 15.0874 15.0874 15.1699 15.1699 17.8734 17.8734 k = 0.5000 0.2887 0.2041 ( 2120 PWs) bands (ev): -48.6415 -48.6415 -23.0153 -23.0153 -15.3722 -15.3722 -15.3530 -15.3530 -8.0167 -8.0167 -7.9753 -7.9753 -7.0190 -7.0190 -6.9630 -6.9630 -6.9532 -6.9532 5.1685 5.1685 8.6246 8.6246 10.9439 10.9439 11.0754 11.0754 12.0874 12.0874 12.2106 12.2106 12.3313 12.3313 12.4985 12.4985 12.5973 12.5973 14.6479 14.6479 15.0874 15.0874 15.1699 15.1699 17.8734 17.8734 k = 0.4961 0.2864 0.2169 ( 2127 PWs) bands (ev): -48.6415 -48.6415 -23.0154 -23.0153 -15.3722 -15.3722 -15.3531 -15.3531 -8.0168 -8.0166 -7.9753 -7.9753 -7.0192 -7.0188 -6.9632 -6.9629 -6.9532 -6.9532 5.1656 5.1735 8.6233 8.6281 10.9412 10.9438 11.0741 11.0742 12.0852 12.0882 12.2096 12.2096 12.3233 12.3340 12.5002 12.5004 12.5952 12.6018 14.6435 14.6529 15.0835 15.0914 15.1699 15.1699 17.8732 17.8821 k = 0.4922 0.2842 0.2296 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0154 -23.0153 -15.3722 -15.3722 -15.3532 -15.3532 -8.0169 -8.0165 -7.9754 -7.9754 -7.0193 -7.0187 -6.9633 -6.9629 -6.9531 -6.9531 5.1648 5.1807 8.6243 8.6338 10.9351 10.9407 11.0707 11.0710 12.0818 12.0879 12.2066 12.2069 12.3112 12.3315 12.5048 12.5058 12.5956 12.6085 14.6396 14.6585 15.0796 15.0952 15.1699 15.1704 17.8815 17.8993 k = 0.4883 0.2819 0.2424 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0155 -23.0153 -15.3722 -15.3721 -15.3532 -15.3532 -8.0171 -8.0164 -7.9755 -7.9755 -7.0195 -7.0185 -6.9636 -6.9630 -6.9531 -6.9531 5.1662 5.1900 8.6276 8.6417 10.9248 10.9338 11.0660 11.0671 12.0770 12.0863 12.2013 12.2024 12.2968 12.3252 12.5111 12.5137 12.5984 12.6173 14.6362 14.6645 15.0759 15.0986 15.1699 15.1715 17.8977 17.9250 k = 0.4844 0.2797 0.2552 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0155 -23.0153 -15.3721 -15.3721 -15.3533 -15.3533 -8.0172 -8.0163 -7.9757 -7.9757 -7.0197 -7.0183 -6.9639 -6.9631 -6.9531 -6.9530 5.1697 5.2014 8.6330 8.6518 10.9089 10.9216 11.0617 11.0638 12.0707 12.0833 12.1933 12.1962 12.2819 12.3165 12.5182 12.5227 12.6036 12.6276 14.6331 14.6706 15.0724 15.1011 15.1699 15.1738 17.9212 17.9590 k = 0.4805 0.2774 0.2679 ( 2127 PWs) bands (ev): -48.6415 -48.6415 -23.0156 -23.0152 -15.3720 -15.3720 -15.3535 -15.3535 -8.0174 -8.0162 -7.9759 -7.9759 -7.0198 -7.0181 -6.9642 -6.9633 -6.9531 -6.9529 5.1753 5.2148 8.6407 8.6639 10.8863 10.9029 11.0593 11.0624 12.0629 12.0787 12.1826 12.1884 12.2681 12.3070 12.5255 12.5317 12.6106 12.6389 14.6300 14.6766 15.0691 15.1025 15.1703 15.1777 17.9505 18.0008 k = 0.4766 0.2751 0.2807 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0156 -23.0152 -15.3720 -15.3719 -15.3536 -15.3536 -8.0176 -8.0162 -7.9762 -7.9762 -7.0199 -7.0180 -6.9645 -6.9636 -6.9531 -6.9527 5.1830 5.2302 8.6506 8.6781 10.8567 10.8772 11.0596 11.0636 12.0532 12.0721 12.1695 12.1793 12.2560 12.2975 12.5329 12.5402 12.6190 12.6506 14.6266 14.6819 15.0657 15.1024 15.1713 15.1838 17.9823 18.0496 k = 0.4727 0.2729 0.2934 ( 2129 PWs) bands (ev): -48.6415 -48.6415 -23.0157 -23.0152 -15.3719 -15.3718 -15.3538 -15.3538 -8.0177 -8.0161 -7.9766 -7.9765 -7.0201 -7.0178 -6.9648 -6.9639 -6.9531 -6.9525 5.1926 5.2476 8.6626 8.6942 10.8204 10.8446 11.0628 11.0675 12.0419 12.0630 12.1551 12.1694 12.2458 12.2886 12.5404 12.5482 12.6282 12.6622 14.6226 14.6861 15.0621 15.1008 15.1736 15.1923 18.0096 18.1025 k = 0.4688 0.2706 0.3062 ( 2131 PWs) bands (ev): -48.6415 -48.6415 -23.0158 -23.0153 -15.3718 -15.3718 -15.3540 -15.3540 -8.0179 -8.0161 -7.9769 -7.9768 -7.0202 -7.0176 -6.9651 -6.9643 -6.9531 -6.9524 5.2043 5.2669 8.6766 8.7121 10.7781 10.8060 11.0688 11.0738 12.0287 12.0508 12.1408 12.1589 12.2370 12.2803 12.5480 12.5559 12.6373 12.6733 14.6177 14.6886 15.0581 15.0979 15.1777 15.2031 18.0199 18.1437 k = 0.4648 0.2684 0.3189 ( 2131 PWs) bands (ev): -48.6415 -48.6414 -23.0158 -23.0153 -15.3717 -15.3717 -15.3543 -15.3543 -8.0181 -8.0161 -7.9774 -7.9772 -7.0203 -7.0175 -6.9654 -6.9647 -6.9532 -6.9522 5.2178 5.2879 8.6926 8.7318 10.7305 10.7621 11.0770 11.0822 12.0139 12.0351 12.1279 12.1482 12.2291 12.2727 12.5558 12.5635 12.6460 12.6836 14.6115 14.6890 15.0533 15.0939 15.1843 15.2163 18.0050 18.1340 k = 0.4609 0.2661 0.3317 ( 2135 PWs) bands (ev): -48.6415 -48.6414 -23.0160 -23.0153 -15.3716 -15.3716 -15.3546 -15.3545 -8.0183 -8.0160 -7.9778 -7.9776 -7.0205 -7.0173 -6.9658 -6.9652 -6.9533 -6.9520 5.2332 5.3107 8.7104 8.7529 10.6783 10.7140 11.0871 11.0924 11.9976 12.0162 12.1168 12.1375 12.2218 12.2658 12.5639 12.5711 12.6538 12.6928 14.6037 14.6868 15.0477 15.0891 15.1941 15.2317 17.9699 18.0962 k = 0.4570 0.2639 0.3445 ( 2127 PWs) bands (ev): -48.6414 -48.6414 -23.0159 -23.0153 -15.3714 -15.3714 -15.3548 -15.3548 -8.0185 -8.0160 -7.9783 -7.9781 -7.0206 -7.0171 -6.9661 -6.9657 -6.9534 -6.9518 5.2503 5.3352 8.7300 8.7754 10.6224 10.6624 11.0990 11.1043 11.9801 11.9948 12.1074 12.1270 12.2148 12.2595 12.5722 12.5788 12.6604 12.7009 14.5942 14.6817 15.0410 15.0838 15.2074 15.2492 17.9225 18.0496 k = 0.4531 0.2616 0.3572 ( 2131 PWs) bands (ev): -48.6414 -48.6414 -23.0160 -23.0153 -15.3713 -15.3713 -15.3551 -15.3551 -8.0187 -8.0160 -7.9789 -7.9786 -7.0207 -7.0170 -6.9664 -6.9663 -6.9535 -6.9516 5.2691 5.3612 8.7512 8.7989 10.5635 10.6082 11.1123 11.1175 11.9614 11.9715 12.0990 12.1165 12.2079 12.2536 12.5807 12.5866 12.6657 12.7078 14.5827 14.6735 15.0336 15.0783 15.2242 15.2687 17.8674 17.9979 k = 0.4492 0.2594 0.3700 ( 2131 PWs) bands (ev): -48.6414 -48.6414 -23.0161 -23.0154 -15.3712 -15.3711 -15.3554 -15.3554 -8.0189 -8.0160 -7.9795 -7.9790 -7.0208 -7.0169 -6.9668 -6.9666 -6.9537 -6.9514 5.2895 5.3885 8.7736 8.8232 10.5023 10.5522 11.1270 11.1321 11.9420 11.9471 12.0913 12.1062 12.2013 12.2484 12.5894 12.5946 12.6696 12.7134 14.5691 14.6621 15.0256 15.0728 15.2445 15.2901 17.8071 17.9419 k = 0.4453 0.2571 0.3827 ( 2130 PWs) bands (ev): -48.6414 -48.6414 -23.0162 -23.0154 -15.3710 -15.3710 -15.3557 -15.3557 -8.0191 -8.0160 -7.9801 -7.9795 -7.0209 -7.0167 -6.9674 -6.9669 -6.9539 -6.9512 5.3113 5.4172 8.7971 8.8479 10.4395 10.4954 11.1428 11.1477 11.9219 11.9220 12.0840 12.0960 12.1947 12.2437 12.5982 12.6026 12.6722 12.7180 14.5535 14.6477 15.0173 15.0676 15.2679 15.3132 17.7428 17.8824 k = 0.4414 0.2548 0.3955 ( 2132 PWs) bands (ev): -48.6414 -48.6414 -23.0163 -23.0154 -15.3709 -15.3709 -15.3560 -15.3560 -8.0193 -8.0161 -7.9807 -7.9800 -7.0210 -7.0166 -6.9680 -6.9671 -6.9541 -6.9510 5.3345 5.4470 8.8213 8.8725 10.3759 10.4385 11.1597 11.1643 11.8966 11.9015 12.0768 12.0857 12.1883 12.2396 12.6070 12.6104 12.6736 12.7215 14.5357 14.6304 15.0091 15.0627 15.2941 15.3378 17.6754 17.8197 k = 0.4375 0.2526 0.4082 ( 2135 PWs) bands (ev): -48.6414 -48.6414 -23.0164 -23.0155 -15.3708 -15.3707 -15.3564 -15.3563 -8.0194 -8.0161 -7.9814 -7.9806 -7.0211 -7.0165 -6.9686 -6.9673 -6.9543 -6.9509 5.3588 5.4778 8.8458 8.8964 10.3124 10.3826 11.1775 11.1819 11.8712 11.8808 12.0696 12.0753 12.1822 12.2362 12.6156 12.6177 12.6740 12.7242 14.5161 14.6105 15.0011 15.0585 15.3227 15.3637 17.6057 17.7544 k = 0.4336 0.2503 0.4210 ( 2131 PWs) bands (ev): -48.6414 -48.6414 -23.0164 -23.0155 -15.3706 -15.3706 -15.3566 -15.3566 -8.0196 -8.0161 -7.9821 -7.9811 -7.0212 -7.0164 -6.9691 -6.9675 -6.9545 -6.9507 5.3842 5.5093 8.8700 8.9191 10.2500 10.3287 11.1962 11.2002 11.8460 11.8601 12.0623 12.0648 12.1763 12.2336 12.6238 12.6240 12.6742 12.7263 14.4949 14.5885 14.9938 15.0550 15.3532 15.3906 17.5342 17.6869 k = 0.4297 0.2481 0.4338 ( 2137 PWs) bands (ev): -48.6414 -48.6414 -23.0165 -23.0156 -15.3705 -15.3705 -15.3570 -15.3569 -8.0198 -8.0162 -7.9828 -7.9816 -7.0213 -7.0164 -6.9697 -6.9676 -6.9548 -6.9506 5.4105 5.5415 8.8933 8.9397 10.1896 10.2779 11.2156 11.2192 11.8211 11.8393 12.0541 12.0546 12.1708 12.2318 12.6282 12.6314 12.6748 12.7280 14.4721 14.5647 14.9874 15.0524 15.3851 15.4182 17.4613 17.6176 k = 0.4258 0.2458 0.4465 ( 2137 PWs) bands (ev): -48.6414 -48.6414 -23.0166 -23.0156 -15.3705 -15.3704 -15.3572 -15.3572 -8.0199 -8.0163 -7.9835 -7.9821 -7.0214 -7.0163 -6.9702 -6.9677 -6.9550 -6.9505 5.4375 5.5741 8.9147 8.9572 10.1323 10.2314 11.2357 11.2387 11.7968 11.8187 12.0433 12.0466 12.1656 12.2311 12.6294 12.6380 12.6771 12.7297 14.4483 14.5395 14.9820 15.0508 15.4180 15.4461 17.3874 17.5470 k = 0.4219 0.2436 0.4593 ( 2139 PWs) bands (ev): -48.6414 -48.6413 -23.0167 -23.0157 -15.3704 -15.3704 -15.3575 -15.3575 -8.0200 -8.0163 -7.9842 -7.9825 -7.0215 -7.0163 -6.9708 -6.9678 -6.9553 -6.9505 5.4649 5.6069 8.9333 8.9707 10.0797 10.1905 11.2563 11.2587 11.7731 11.7984 12.0322 12.0383 12.1609 12.2312 12.6269 12.6433 12.6816 12.7318 14.4236 14.5134 14.9779 15.0503 15.4514 15.4740 17.3131 17.4758 k = 0.4180 0.2413 0.4720 ( 2136 PWs) bands (ev): -48.6414 -48.6413 -23.0167 -23.0157 -15.3703 -15.3703 -15.3577 -15.3577 -8.0202 -8.0164 -7.9850 -7.9830 -7.0215 -7.0163 -6.9712 -6.9678 -6.9556 -6.9504 5.4927 5.6397 8.9479 8.9792 10.0331 10.1565 11.2773 11.2790 11.7503 11.7785 12.0211 12.0296 12.1567 12.2325 12.6213 12.6471 12.6878 12.7347 14.3985 14.4867 14.9752 15.0511 15.4847 15.5013 17.2387 17.4044 k = 0.4141 0.2391 0.4848 ( 2140 PWs) bands (ev): -48.6414 -48.6413 -23.0168 -23.0158 -15.3703 -15.3703 -15.3580 -15.3579 -8.0202 -8.0165 -7.9857 -7.9834 -7.0216 -7.0162 -6.9717 -6.9678 -6.9559 -6.9504 5.5205 5.6721 8.9572 8.9816 9.9941 10.1306 11.2985 11.2994 11.7284 11.7592 12.0098 12.0205 12.1530 12.2349 12.6131 12.6491 12.6951 12.7385 14.3732 14.4598 14.9741 15.0532 15.5176 15.5278 17.1649 17.3335 k = 0.4102 0.2368 0.4976 ( 2140 PWs) bands (ev): -48.6414 -48.6413 -23.0169 -23.0158 -15.3703 -15.3703 -15.3582 -15.3581 -8.0203 -8.0166 -7.9865 -7.9838 -7.0217 -7.0162 -6.9721 -6.9678 -6.9562 -6.9504 5.5482 5.7039 8.9600 8.9773 9.9643 10.1137 11.3199 11.3199 11.7077 11.7406 11.9983 12.0110 12.1496 12.2385 12.6030 12.6495 12.7027 12.7432 14.3481 14.4332 14.9748 15.0567 15.5493 15.5527 17.0922 17.2638 k = 0.4062 0.2345 0.5103 ( 2140 PWs) bands (ev): -48.6414 -48.6413 -23.0170 -23.0159 -15.3703 -15.3703 -15.3583 -15.3583 -8.0203 -8.0167 -7.9872 -7.9842 -7.0218 -7.0163 -6.9725 -6.9677 -6.9565 -6.9504 5.5754 5.7348 8.9554 8.9660 9.9448 10.1064 11.3403 11.3414 11.6883 11.7229 11.9868 12.0012 12.1466 12.2431 12.5915 12.6486 12.7105 12.7486 14.3235 14.4071 14.9774 15.0618 15.5755 15.5792 17.0213 17.1960 k = 0.4023 0.2323 0.5231 ( 2141 PWs) bands (ev): -48.6414 -48.6413 -23.0170 -23.0159 -15.3704 -15.3703 -15.3584 -15.3584 -8.0203 -8.0168 -7.9880 -7.9846 -7.0218 -7.0163 -6.9729 -6.9676 -6.9568 -6.9505 5.6018 5.7644 8.9428 8.9477 9.9363 10.1088 11.3605 11.3627 11.6703 11.7062 11.9753 11.9911 12.1438 12.2487 12.5790 12.6467 12.7181 12.7546 14.2997 14.3818 14.9820 15.0685 15.5955 15.6066 16.9530 17.1311 k = 0.3984 0.2300 0.5358 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0171 -23.0160 -15.3704 -15.3704 -15.3585 -15.3584 -8.0202 -8.0169 -7.9887 -7.9849 -7.0219 -7.0163 -6.9732 -6.9675 -6.9570 -6.9505 5.6272 5.7924 8.9226 8.9231 9.9390 10.1204 11.3801 11.3837 11.6539 11.6906 11.9637 11.9808 12.1412 12.2553 12.5658 12.6444 12.7254 12.7607 14.2769 14.3576 14.9888 15.0769 15.6122 15.6306 16.8883 17.0699 k = 0.3945 0.2278 0.5486 ( 2144 PWs) bands (ev): -48.6413 -48.6413 -23.0171 -23.0161 -15.3706 -15.3705 -15.3585 -15.3585 -8.0201 -8.0171 -7.9895 -7.9851 -7.0219 -7.0164 -6.9734 -6.9673 -6.9573 -6.9506 5.6512 5.8184 8.8931 8.8955 9.9522 10.1405 11.3992 11.4043 11.6392 11.6762 11.9523 11.9703 12.1385 12.2626 12.5522 12.6419 12.7321 12.7667 14.2554 14.3347 14.9980 15.0870 15.6246 15.6502 16.8284 17.0133 k = 0.3906 0.2255 0.5613 ( 2140 PWs) bands (ev): -48.6413 -48.6413 -23.0171 -23.0160 -15.3706 -15.3706 -15.3585 -15.3584 -8.0200 -8.0172 -7.9902 -7.9853 -7.0220 -7.0165 -6.9737 -6.9672 -6.9575 -6.9507 5.6735 5.8421 8.8590 8.8630 9.9749 10.1681 11.4173 11.4243 11.6265 11.6634 11.9411 11.9597 12.1357 12.2703 12.5389 12.6399 12.7384 12.7726 14.2354 14.3133 15.0096 15.0988 15.6323 15.6644 16.7743 16.9624 k = 0.3867 0.2233 0.5741 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0171 -23.0161 -15.3707 -15.3707 -15.3585 -15.3584 -8.0198 -8.0173 -7.9909 -7.9855 -7.0220 -7.0165 -6.9738 -6.9670 -6.9577 -6.9509 5.6936 5.8629 8.8219 8.8266 10.0058 10.2022 11.4344 11.4434 11.6159 11.6520 11.9301 11.9492 12.1326 12.2779 12.5263 12.6385 12.7439 12.7779 14.2171 14.2936 15.0238 15.1124 15.6347 15.6722 16.7274 16.9180 k = 0.3828 0.2210 0.5869 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0161 -15.3709 -15.3708 -15.3584 -15.3583 -8.0195 -8.0174 -7.9916 -7.9856 -7.0221 -7.0166 -6.9740 -6.9668 -6.9579 -6.9510 5.7113 5.8804 8.7832 8.7879 10.0436 10.2416 11.4500 11.4614 11.6076 11.6423 11.9194 11.9386 12.1290 12.2847 12.5154 12.6382 12.7489 12.7828 14.2005 14.2756 15.0405 15.1277 15.6314 15.6727 16.6889 16.8808 k = 0.3789 0.2188 0.5996 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0161 -15.3710 -15.3710 -15.3584 -15.3582 -8.0192 -8.0175 -7.9923 -7.9857 -7.0221 -7.0167 -6.9740 -6.9666 -6.9580 -6.9512 5.7260 5.8943 8.7440 8.7484 10.0871 10.2853 11.4641 11.4781 11.6016 11.6345 11.9092 11.9283 12.1247 12.2898 12.5071 12.6392 12.7532 12.7871 14.1859 14.2595 15.0600 15.1443 15.6226 15.6652 16.6594 16.8513 k = 0.3750 0.2165 0.6124 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3712 -15.3712 -15.3582 -15.3581 -8.0189 -8.0175 -7.9930 -7.9858 -7.0221 -7.0168 -6.9741 -6.9665 -6.9581 -6.9513 5.7375 5.9041 8.7054 8.7094 10.1351 10.3325 11.4763 11.4932 11.5982 11.6286 11.8993 11.9181 12.1197 12.2920 12.5028 12.6417 12.7569 12.7908 14.1732 14.2453 15.0822 15.1621 15.6089 15.6499 16.6395 16.8296 k = 0.6250-0.0722 0.4082 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3712 -15.3712 -15.3582 -15.3581 -8.0189 -8.0175 -7.9930 -7.9858 -7.0221 -7.0168 -6.9741 -6.9665 -6.9581 -6.9513 5.7375 5.9041 8.7054 8.7094 10.1351 10.3325 11.4763 11.4932 11.5982 11.6286 11.8993 11.9181 12.1197 12.2920 12.5028 12.6417 12.7569 12.7908 14.1732 14.2453 15.0822 15.1621 15.6089 15.6499 16.6395 16.8296 k = 0.6184-0.0836 0.4082 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0162 -15.3714 -15.3714 -15.3580 -15.3579 -8.0182 -8.0176 -7.9940 -7.9858 -7.0221 -7.0169 -6.9741 -6.9662 -6.9582 -6.9516 5.7530 5.9156 8.6428 8.6462 10.2208 10.4154 11.4937 11.5165 11.5961 11.6208 11.8835 11.9012 12.1099 12.2905 12.5019 12.6483 12.7630 12.7970 14.1540 14.2235 15.1218 15.1911 15.5852 15.6194 16.6109 16.7967 k = 0.6118-0.0950 0.4082 ( 2143 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0163 -15.3717 -15.3717 -15.3578 -15.3576 -8.0177 -8.0174 -7.9951 -7.9859 -7.0221 -7.0171 -6.9740 -6.9659 -6.9583 -6.9519 5.7669 5.9247 8.5827 8.5856 10.3092 10.4996 11.5071 11.5382 11.5982 11.6144 11.8682 11.8846 12.0986 12.2845 12.5061 12.6565 12.7697 12.8036 14.1354 14.2025 15.1614 15.2163 15.5683 15.5920 16.5765 16.7581 k = 0.6053-0.1064 0.4082 ( 2143 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0163 -15.3720 -15.3720 -15.3576 -15.3574 -8.0177 -8.0166 -7.9961 -7.9861 -7.0221 -7.0172 -6.9739 -6.9656 -6.9584 -6.9521 5.7793 5.9316 8.5253 8.5277 10.3997 10.5845 11.5158 11.5569 11.6049 11.6106 11.8536 11.8686 12.0860 12.2741 12.5152 12.6664 12.7768 12.8104 14.1174 14.1823 15.2010 15.2368 15.5592 15.5679 16.5364 16.7139 k = 0.5987-0.1177 0.4082 ( 2143 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0163 -15.3722 -15.3722 -15.3573 -15.3571 -8.0176 -8.0158 -7.9971 -7.9863 -7.0221 -7.0174 -6.9737 -6.9654 -6.9585 -6.9524 5.7904 5.9365 8.4707 8.4727 10.4918 10.6697 11.5205 11.5697 11.6121 11.6155 11.8398 11.8533 12.0719 12.2598 12.5290 12.6778 12.7843 12.8175 14.1000 14.1628 15.2403 15.2520 15.5471 15.5584 16.4908 16.6647 k = 0.5921-0.1291 0.4082 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0163 -15.3725 -15.3724 -15.3571 -15.3568 -8.0176 -8.0149 -7.9980 -7.9866 -7.0220 -7.0176 -6.9735 -6.9651 -6.9586 -6.9527 5.8004 5.9396 8.4192 8.4207 10.5849 10.7543 11.5224 11.5742 11.6215 11.6286 11.8271 11.8389 12.0564 12.2420 12.5466 12.6907 12.7920 12.8247 14.0830 14.1438 15.2619 15.2794 15.5298 15.5659 16.4402 16.6109 k = 0.5855-0.1405 0.4082 ( 2143 PWs) bands (ev): -48.6413 -48.6413 -23.0172 -23.0164 -15.3727 -15.3727 -15.3568 -15.3566 -8.0175 -8.0140 -7.9989 -7.9869 -7.0220 -7.0178 -6.9733 -6.9649 -6.9587 -6.9529 5.8095 5.9412 8.3707 8.3719 10.6783 10.8378 11.5231 11.5731 11.6354 11.6425 11.8155 11.8253 12.0396 12.2214 12.5676 12.7049 12.7998 12.8319 14.0665 14.1254 15.2677 15.3180 15.5160 15.5805 16.3850 16.5532 k = 0.5789-0.1519 0.4082 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0171 -23.0163 -15.3729 -15.3729 -15.3565 -15.3563 -8.0173 -8.0132 -7.9997 -7.9872 -7.0219 -7.0180 -6.9730 -6.9647 -6.9588 -6.9532 5.8177 5.9413 8.3255 8.3263 10.7715 10.9195 11.5233 11.5701 11.6502 11.6563 11.8052 11.8129 12.0217 12.1984 12.5914 12.7203 12.8078 12.8390 14.0504 14.1074 15.2710 15.3561 15.5060 15.6006 16.3258 16.4924 k = 0.5724-0.1633 0.4082 ( 2133 PWs) bands (ev): -48.6413 -48.6412 -23.0170 -23.0163 -15.3731 -15.3731 -15.3562 -15.3560 -8.0172 -8.0123 -8.0004 -7.9877 -7.0219 -7.0182 -6.9726 -6.9646 -6.9588 -6.9534 5.8253 5.9403 8.2836 8.2841 10.8639 10.9990 11.5235 11.5666 11.6641 11.6693 11.7966 11.8016 12.0026 12.1733 12.6175 12.7367 12.8156 12.8459 14.0348 14.0898 15.2734 15.3934 15.4999 15.6245 16.2634 16.4291 k = 0.5658-0.1747 0.4082 ( 2133 PWs) bands (ev): -48.6413 -48.6413 -23.0170 -23.0163 -15.3733 -15.3733 -15.3560 -15.3558 -8.0169 -8.0116 -8.0010 -7.9882 -7.0218 -7.0184 -6.9723 -6.9645 -6.9588 -6.9537 5.8322 5.9383 8.2450 8.2453 10.9549 11.0756 11.5241 11.5631 11.6762 11.6809 11.7898 11.7916 11.9826 12.1462 12.6454 12.7538 12.8234 12.8527 14.0196 14.0725 15.2766 15.4292 15.4985 15.6507 16.1985 16.3640 k = 0.5592-0.1861 0.4082 ( 2141 PWs) bands (ev): -48.6413 -48.6413 -23.0170 -23.0164 -15.3736 -15.3736 -15.3558 -15.3556 -8.0167 -8.0110 -8.0014 -7.9887 -7.0217 -7.0186 -6.9718 -6.9646 -6.9588 -6.9540 5.8388 5.9354 8.2099 8.2100 11.0436 11.1489 11.5251 11.5598 11.6860 11.6905 11.7829 11.7851 11.9617 12.1171 12.6747 12.7712 12.8309 12.8591 14.0051 14.0555 15.2815 15.4614 15.5038 15.6779 16.1320 16.2976 k = 0.5526-0.1975 0.4082 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0170 -23.0164 -15.3738 -15.3738 -15.3556 -15.3554 -8.0164 -8.0106 -8.0015 -7.9893 -7.0216 -7.0188 -6.9714 -6.9646 -6.9587 -6.9543 5.8450 5.9317 8.1782 8.1783 11.1297 11.2184 11.5269 11.5566 11.6932 11.6981 11.7757 11.7829 11.9404 12.0863 12.7046 12.7885 12.8381 12.8653 13.9913 14.0388 15.2890 15.4842 15.5215 15.7050 16.0652 16.2308 k = 0.5461-0.2089 0.4082 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0170 -23.0165 -15.3739 -15.3739 -15.3554 -15.3552 -8.0161 -8.0104 -8.0014 -7.9900 -7.0215 -7.0191 -6.9709 -6.9648 -6.9585 -6.9546 5.8509 5.9275 8.1501 8.1503 11.2122 11.2838 11.5295 11.5537 11.6976 11.7032 11.7697 11.7829 11.9190 12.0536 12.7346 12.8053 12.8449 12.8712 13.9785 14.0226 15.2999 15.4983 15.5505 15.7311 15.9992 16.1641 k = 0.5395-0.2203 0.4082 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0169 -23.0165 -15.3741 -15.3741 -15.3552 -15.3551 -8.0157 -8.0104 -8.0010 -7.9907 -7.0214 -7.0193 -6.9704 -6.9650 -6.9584 -6.9548 5.8567 5.9229 8.1257 8.1259 11.2903 11.3449 11.5333 11.5511 11.6998 11.7061 11.7640 11.7847 11.8981 12.0191 12.7639 12.8209 12.8513 12.8768 13.9670 14.0070 15.3144 15.5110 15.5827 15.7549 15.9358 16.0984 k = 0.5329-0.2317 0.4082 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0169 -23.0165 -15.3742 -15.3742 -15.3550 -15.3549 -8.0153 -8.0106 -8.0004 -7.9915 -7.0213 -7.0195 -6.9699 -6.9653 -6.9581 -6.9551 5.8623 5.9178 8.1049 8.1052 11.3625 11.4012 11.5391 11.5490 11.7004 11.7071 11.7574 11.7872 11.8787 11.9829 12.7913 12.8345 12.8573 12.8821 13.9570 13.9923 15.3330 15.5242 15.6144 15.7752 15.8773 16.0345 k = 0.5263-0.2431 0.4082 ( 2139 PWs) bands (ev): -48.6413 -48.6413 -23.0168 -23.0166 -15.3743 -15.3743 -15.3549 -15.3548 -8.0149 -8.0110 -7.9997 -7.9923 -7.0211 -7.0197 -6.9694 -6.9656 -6.9579 -6.9554 5.8679 5.9126 8.0879 8.0882 11.4257 11.4519 11.5479 11.5493 11.7000 11.7069 11.7483 11.7894 11.8621 11.9455 12.8159 12.8456 12.8630 12.8870 13.9490 13.9786 15.3558 15.5364 15.6441 15.7903 15.8278 15.9734 k = 0.5197-0.2545 0.4082 ( 2121 PWs) bands (ev): -48.6413 -48.6412 -23.0166 -23.0164 -15.3742 -15.3742 -15.3547 -15.3546 -8.0145 -8.0114 -7.9988 -7.9932 -7.0210 -7.0199 -6.9689 -6.9660 -6.9576 -6.9557 5.8735 5.9071 8.0747 8.0749 11.4736 11.4943 11.5507 11.5691 11.6993 11.7060 11.7360 11.7898 11.8497 11.9080 12.8363 12.8538 12.8689 12.8911 13.9434 13.9665 15.3828 15.5424 15.6707 15.7937 15.7985 15.9163 k = 0.5132-0.2659 0.4082 ( 2120 PWs) bands (ev): -48.6412 -48.6412 -23.0165 -23.0164 -15.3743 -15.3743 -15.3546 -15.3545 -8.0140 -8.0119 -7.9979 -7.9941 -7.0208 -7.0201 -6.9684 -6.9665 -6.9573 -6.9561 5.8791 5.9016 8.0652 8.0654 11.5004 11.5180 11.5669 11.6005 11.6982 11.7029 11.7239 11.7850 11.8417 11.8736 12.8508 12.8591 12.8756 12.8934 13.9403 13.9562 15.4135 15.5355 15.6951 15.7810 15.7974 15.8654 k = 0.5066-0.2773 0.4082 ( 2108 PWs) bands (ev): -48.6412 -48.6412 -23.0163 -23.0163 -15.3742 -15.3742 -15.3544 -15.3544 -8.0135 -8.0125 -7.9969 -7.9950 -7.0207 -7.0203 -6.9679 -6.9669 -6.9570 -6.9564 5.8847 5.8960 8.0596 8.0597 11.5132 11.5223 11.5963 11.6264 11.6960 11.6970 11.7246 11.7694 11.8380 11.8495 12.8586 12.8617 12.8833 12.8932 13.9401 13.9482 15.4472 15.5134 15.7219 15.7828 15.7868 15.8260 k = 0.5000-0.2887 0.4082 ( 2100 PWs) bands (ev): -48.6412 -48.6412 -23.0162 -23.0162 -15.3742 -15.3742 -15.3543 -15.3543 -8.0130 -8.0130 -7.9960 -7.9960 -7.0205 -7.0205 -6.9674 -6.9674 -6.9567 -6.9567 5.8903 5.8903 8.0577 8.0577 11.5197 11.5197 11.6220 11.6220 11.6952 11.6952 11.7438 11.7438 11.8393 11.8393 12.8617 12.8617 12.8898 12.8898 13.9428 13.9428 15.4818 15.4818 15.7534 15.7534 15.8022 15.8022 Writing output data file HfNiSn.save init_run : 0.89s CPU 0.49s WALL ( 1 calls) electrons : 220.81s CPU 131.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.08s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 220.80s CPU 131.79s 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 : 0.18s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.19s CPU 0.25s WALL ( 346 calls) cegterg : 200.16s CPU 119.01s WALL ( 408 calls) Called by sum_band: Called by *egterg: h_psi : 105.38s CPU 63.84s WALL ( 6909 calls) s_psi : 6.99s CPU 3.82s WALL ( 6909 calls) g_psi : 0.14s CPU 0.10s WALL ( 6155 calls) cdiaghg : 87.46s CPU 51.37s WALL ( 6501 calls) cegterg:over : 7.16s CPU 3.97s WALL ( 6155 calls) cegterg:upda : 4.46s CPU 2.60s WALL ( 6155 calls) cegterg:last : 2.65s CPU 1.52s WALL ( 1100 calls) cdiaghg:chol : 4.59s CPU 2.66s WALL ( 6501 calls) cdiaghg:inve : 2.43s CPU 1.54s WALL ( 6501 calls) cdiaghg:para : 4.43s CPU 2.74s WALL ( 13002 calls) Called by h_psi: h_psi:vloc : 90.50s CPU 55.38s WALL ( 6909 calls) h_psi:vnl : 14.72s CPU 8.36s WALL ( 6909 calls) add_vuspsi : 9.51s CPU 5.24s WALL ( 6909 calls) General routines calbec : 5.16s CPU 3.09s WALL ( 6909 calls) fft : 0.07s CPU 0.03s WALL ( 19 calls) ffts : 0.03s CPU 0.01s WALL ( 4 calls) fftw : 85.41s CPU 52.55s WALL ( 638096 calls) interpolate : 0.03s CPU 0.01s WALL ( 4 calls) davcio : 0.34s CPU 0.39s WALL ( 692 calls) Parallel routines fft_scatter : 40.60s CPU 25.29s WALL ( 638119 calls) PWSCF : 3m53.76s CPU 2m35.42s WALL This run was terminated on: 4: 3:53 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=