Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:48:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors 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: ./SiB4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) 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 75 40 11 2732 1071 165 Max 76 41 12 2735 1100 169 Sum 2713 1469 415 98399 39189 6001 bravais-lattice index = 14 lattice parameter (alat) = 10.5857 a.u. unit-cell volume = 994.1373 (a.u.)^3 number of atoms/cell = 15 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.585697 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.361536 celldm(5)= 0.361536 celldm(6)= 0.361536 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.361536 0.932358 0.000000 ) a(3) = ( 0.361536 0.247574 0.898887 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.387766 -0.295405 ) b(2) = ( 0.000000 1.072549 -0.295405 ) b(3) = ( 0.000000 0.000000 1.112486 ) PseudoPot. # 1 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 B 3.00 10.81100 B( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops., with 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 243 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041152 k( 2) = ( 0.0156250 -0.0060588 -0.0046157), wk = 0.0041152 k( 3) = ( 0.0312500 -0.0121177 -0.0092314), wk = 0.0041152 k( 4) = ( 0.0468750 -0.0181765 -0.0138471), wk = 0.0041152 k( 5) = ( 0.0625000 -0.0242353 -0.0184628), wk = 0.0041152 k( 6) = ( 0.0781250 -0.0302942 -0.0230785), wk = 0.0041152 k( 7) = ( 0.0937500 -0.0363530 -0.0276942), wk = 0.0041152 k( 8) = ( 0.1093750 -0.0424119 -0.0323099), wk = 0.0041152 k( 9) = ( 0.1250000 -0.0484707 -0.0369256), wk = 0.0041152 k( 10) = ( 0.1406250 -0.0545295 -0.0415413), wk = 0.0041152 k( 11) = ( 0.1562500 -0.0605884 -0.0461570), wk = 0.0041152 k( 12) = ( 0.1718750 -0.0666472 -0.0507727), wk = 0.0041152 k( 13) = ( 0.1875000 -0.0727060 -0.0553884), wk = 0.0041152 k( 14) = ( 0.2031250 -0.0787649 -0.0600041), wk = 0.0041152 k( 15) = ( 0.2187500 -0.0848237 -0.0646198), wk = 0.0041152 k( 16) = ( 0.2343750 -0.0908826 -0.0692355), wk = 0.0041152 k( 17) = ( 0.2500000 -0.0969414 -0.0738512), wk = 0.0041152 k( 18) = ( 0.2656250 -0.1030002 -0.0784669), wk = 0.0041152 k( 19) = ( 0.2812500 -0.1090591 -0.0830826), wk = 0.0041152 k( 20) = ( 0.2968750 -0.1151179 -0.0876983), wk = 0.0041152 k( 21) = ( 0.3125000 -0.1211767 -0.0923140), wk = 0.0041152 k( 22) = ( 0.3281250 -0.1272356 -0.0969297), wk = 0.0041152 k( 23) = ( 0.3437500 -0.1332944 -0.1015454), wk = 0.0041152 k( 24) = ( 0.3593750 -0.1393533 -0.1061611), wk = 0.0041152 k( 25) = ( 0.3750000 -0.1454121 -0.1107768), wk = 0.0041152 k( 26) = ( 0.3906250 -0.1514709 -0.1153925), wk = 0.0041152 k( 27) = ( 0.4062500 -0.1575298 -0.1200082), wk = 0.0041152 k( 28) = ( 0.4218750 -0.1635886 -0.1246239), wk = 0.0041152 k( 29) = ( 0.4375000 -0.1696474 -0.1292396), wk = 0.0041152 k( 30) = ( 0.4531250 -0.1757063 -0.1338553), wk = 0.0041152 k( 31) = ( 0.4687500 -0.1817651 -0.1384710), wk = 0.0041152 k( 32) = ( 0.4843750 -0.1878240 -0.1430867), wk = 0.0041152 k( 33) = ( 0.5000000 -0.1938828 -0.1477024), wk = 0.0041152 k( 34) = ( 0.5000000 -0.1938828 -0.1477024), wk = 0.0041152 k( 35) = ( 0.5000000 -0.1831507 -0.1617900), wk = 0.0041152 k( 36) = ( 0.5000000 -0.1724185 -0.1758776), wk = 0.0041152 k( 37) = ( 0.5000000 -0.1616864 -0.1899652), wk = 0.0041152 k( 38) = ( 0.5000000 -0.1509543 -0.2040528), wk = 0.0041152 k( 39) = ( 0.5000000 -0.1402222 -0.2181404), wk = 0.0041152 k( 40) = ( 0.5000000 -0.1294900 -0.2322281), wk = 0.0041152 k( 41) = ( 0.5000000 -0.1187579 -0.2463157), wk = 0.0041152 k( 42) = ( 0.5000000 -0.1080258 -0.2604033), wk = 0.0041152 k( 43) = ( 0.5000000 -0.0972937 -0.2744909), wk = 0.0041152 k( 44) = ( 0.5000000 -0.0865615 -0.2885785), wk = 0.0041152 k( 45) = ( 0.5000000 -0.0758294 -0.3026661), wk = 0.0041152 k( 46) = ( 0.5000000 -0.0650973 -0.3167538), wk = 0.0041152 k( 47) = ( 0.5000000 -0.0543652 -0.3308414), wk = 0.0041152 k( 48) = ( 0.5000000 -0.0436330 -0.3449290), wk = 0.0041152 k( 49) = ( 0.5000000 -0.0329009 -0.3590166), wk = 0.0041152 k( 50) = ( 0.5000000 -0.0221688 -0.3731042), wk = 0.0041152 k( 51) = ( 0.5000000 -0.0114367 -0.3871918), wk = 0.0041152 k( 52) = ( 0.5000000 -0.0007046 -0.4012795), wk = 0.0041152 k( 53) = ( 0.5000000 0.0100276 -0.4153671), wk = 0.0041152 k( 54) = ( 0.5000000 0.0207597 -0.4294547), wk = 0.0041152 k( 55) = ( 0.5000000 0.0314918 -0.4435423), wk = 0.0041152 k( 56) = ( 0.5000000 0.0422239 -0.4576299), wk = 0.0041152 k( 57) = ( 0.5000000 0.0529561 -0.4717175), wk = 0.0041152 k( 58) = ( 0.5000000 0.0636882 -0.4858051), wk = 0.0041152 k( 59) = ( 0.5000000 0.0744203 -0.4998928), wk = 0.0041152 k( 60) = ( 0.5000000 0.0851524 -0.5139804), wk = 0.0041152 k( 61) = ( 0.5000000 0.0958846 -0.5280680), wk = 0.0041152 k( 62) = ( 0.5000000 0.1066167 -0.5421556), wk = 0.0041152 k( 63) = ( 0.5000000 0.1173488 -0.5562432), wk = 0.0041152 k( 64) = ( 0.7098207 0.2610306 -0.0345663), wk = 0.0041152 k( 65) = ( 0.6998292 0.2649050 -0.0204994), wk = 0.0041152 k( 66) = ( 0.6898378 0.2687793 -0.0064325), wk = 0.0041152 k( 67) = ( 0.6798463 0.2726537 0.0076344), wk = 0.0041152 k( 68) = ( 0.6698549 0.2765280 0.0217013), wk = 0.0041152 k( 69) = ( 0.6598634 0.2804024 0.0357682), wk = 0.0041152 k( 70) = ( 0.6498719 0.2842767 0.0498351), wk = 0.0041152 k( 71) = ( 0.6398805 0.2881511 0.0639020), wk = 0.0041152 k( 72) = ( 0.6298890 0.2920254 0.0779689), wk = 0.0041152 k( 73) = ( 0.6198976 0.2958998 0.0920358), wk = 0.0041152 k( 74) = ( 0.6099061 0.2997741 0.1061027), wk = 0.0041152 k( 75) = ( 0.5999146 0.3036484 0.1201696), wk = 0.0041152 k( 76) = ( 0.5899232 0.3075228 0.1342365), wk = 0.0041152 k( 77) = ( 0.5799317 0.3113971 0.1483034), wk = 0.0041152 k( 78) = ( 0.5699402 0.3152715 0.1623702), wk = 0.0041152 k( 79) = ( 0.5599488 0.3191458 0.1764371), wk = 0.0041152 k( 80) = ( 0.5499573 0.3230202 0.1905040), wk = 0.0041152 k( 81) = ( 0.5399658 0.3268945 0.2045709), wk = 0.0041152 k( 82) = ( 0.5299744 0.3307689 0.2186378), wk = 0.0041152 k( 83) = ( 0.5199829 0.3346432 0.2327047), wk = 0.0041152 k( 84) = ( 0.5099915 0.3385175 0.2467716), wk = 0.0041152 k( 85) = ( 0.5000000 0.3423919 0.2608385), wk = 0.0041152 k( 86) = ( 0.5000000 0.3423919 0.2608385), wk = 0.0041152 k( 87) = ( 0.4868421 0.3333816 0.2539743), wk = 0.0041152 k( 88) = ( 0.4736842 0.3243713 0.2471101), wk = 0.0041152 k( 89) = ( 0.4605263 0.3153610 0.2402460), wk = 0.0041152 k( 90) = ( 0.4473684 0.3063506 0.2333818), wk = 0.0041152 k( 91) = ( 0.4342105 0.2973403 0.2265176), wk = 0.0041152 k( 92) = ( 0.4210526 0.2883300 0.2196535), wk = 0.0041152 k( 93) = ( 0.4078947 0.2793197 0.2127893), wk = 0.0041152 k( 94) = ( 0.3947368 0.2703094 0.2059251), wk = 0.0041152 k( 95) = ( 0.3815789 0.2612991 0.1990610), wk = 0.0041152 k( 96) = ( 0.3684211 0.2522888 0.1921968), wk = 0.0041152 k( 97) = ( 0.3552632 0.2432785 0.1853326), wk = 0.0041152 k( 98) = ( 0.3421053 0.2342681 0.1784684), wk = 0.0041152 k( 99) = ( 0.3289474 0.2252578 0.1716043), wk = 0.0041152 k( 100) = ( 0.3157895 0.2162475 0.1647401), wk = 0.0041152 k( 101) = ( 0.3026316 0.2072372 0.1578759), wk = 0.0041152 k( 102) = ( 0.2894737 0.1982269 0.1510118), wk = 0.0041152 k( 103) = ( 0.2763158 0.1892166 0.1441476), wk = 0.0041152 k( 104) = ( 0.2631579 0.1802063 0.1372834), wk = 0.0041152 k( 105) = ( 0.2500000 0.1711959 0.1304192), wk = 0.0041152 k( 106) = ( 0.2368421 0.1621856 0.1235551), wk = 0.0041152 k( 107) = ( 0.2236842 0.1531753 0.1166909), wk = 0.0041152 k( 108) = ( 0.2105263 0.1441650 0.1098267), wk = 0.0041152 k( 109) = ( 0.1973684 0.1351547 0.1029626), wk = 0.0041152 k( 110) = ( 0.1842105 0.1261444 0.0960984), wk = 0.0041152 k( 111) = ( 0.1710526 0.1171341 0.0892342), wk = 0.0041152 k( 112) = ( 0.1578947 0.1081238 0.0823701), wk = 0.0041152 k( 113) = ( 0.1447368 0.0991134 0.0755059), wk = 0.0041152 k( 114) = ( 0.1315790 0.0901031 0.0686417), wk = 0.0041152 k( 115) = ( 0.1184210 0.0810928 0.0617775), wk = 0.0041152 k( 116) = ( 0.1052632 0.0720825 0.0549134), wk = 0.0041152 k( 117) = ( 0.0921053 0.0630722 0.0480492), wk = 0.0041152 k( 118) = ( 0.0789474 0.0540619 0.0411850), wk = 0.0041152 k( 119) = ( 0.0657895 0.0450516 0.0343209), wk = 0.0041152 k( 120) = ( 0.0526316 0.0360413 0.0274567), wk = 0.0041152 k( 121) = ( 0.0394737 0.0270309 0.0205925), wk = 0.0041152 k( 122) = ( 0.0263158 0.0180206 0.0137283), wk = 0.0041152 k( 123) = ( 0.0131579 0.0090103 0.0068642), wk = 0.0041152 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041152 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041152 k( 126) = ( 0.0098772 -0.0038301 -0.0139061), wk = 0.0041152 k( 127) = ( 0.0197545 -0.0076601 -0.0278122), wk = 0.0041152 k( 128) = ( 0.0296317 -0.0114902 -0.0417182), wk = 0.0041152 k( 129) = ( 0.0395090 -0.0153202 -0.0556243), wk = 0.0041152 k( 130) = ( 0.0493862 -0.0191503 -0.0695304), wk = 0.0041152 k( 131) = ( 0.0592635 -0.0229803 -0.0834365), wk = 0.0041152 k( 132) = ( 0.0691407 -0.0268104 -0.0973426), wk = 0.0041152 k( 133) = ( 0.0790179 -0.0306404 -0.1112486), wk = 0.0041152 k( 134) = ( 0.0888952 -0.0344705 -0.1251547), wk = 0.0041152 k( 135) = ( 0.0987724 -0.0383005 -0.1390608), wk = 0.0041152 k( 136) = ( 0.1086497 -0.0421306 -0.1529669), wk = 0.0041152 k( 137) = ( 0.1185269 -0.0459606 -0.1668730), wk = 0.0041152 k( 138) = ( 0.1284041 -0.0497907 -0.1807790), wk = 0.0041152 k( 139) = ( 0.1382814 -0.0536208 -0.1946851), wk = 0.0041152 k( 140) = ( 0.1481586 -0.0574508 -0.2085912), wk = 0.0041152 k( 141) = ( 0.1580359 -0.0612809 -0.2224973), wk = 0.0041152 k( 142) = ( 0.1679131 -0.0651109 -0.2364034), wk = 0.0041152 k( 143) = ( 0.1777903 -0.0689410 -0.2503095), wk = 0.0041152 k( 144) = ( 0.1876676 -0.0727710 -0.2642155), wk = 0.0041152 k( 145) = ( 0.1975448 -0.0766011 -0.2781216), wk = 0.0041152 k( 146) = ( 0.2074221 -0.0804311 -0.2920277), wk = 0.0041152 k( 147) = ( 0.2172993 -0.0842612 -0.3059338), wk = 0.0041152 k( 148) = ( 0.2271765 -0.0880912 -0.3198398), wk = 0.0041152 k( 149) = ( 0.2370538 -0.0919213 -0.3337459), wk = 0.0041152 k( 150) = ( 0.2469310 -0.0957514 -0.3476520), wk = 0.0041152 k( 151) = ( 0.2568083 -0.0995814 -0.3615581), wk = 0.0041152 k( 152) = ( 0.2666855 -0.1034115 -0.3754642), wk = 0.0041152 k( 153) = ( 0.2765628 -0.1072415 -0.3893703), wk = 0.0041152 k( 154) = ( 0.2864400 -0.1110716 -0.4032763), wk = 0.0041152 k( 155) = ( 0.2963172 -0.1149016 -0.4171824), wk = 0.0041152 k( 156) = ( 0.3061945 -0.1187317 -0.4310885), wk = 0.0041152 k( 157) = ( 0.3160717 -0.1225617 -0.4449946), wk = 0.0041152 k( 158) = ( 0.3259490 -0.1263918 -0.4589007), wk = 0.0041152 k( 159) = ( 0.3358262 -0.1302218 -0.4728067), wk = 0.0041152 k( 160) = ( 0.3457034 -0.1340519 -0.4867128), wk = 0.0041152 k( 161) = ( 0.3555807 -0.1378819 -0.5006189), wk = 0.0041152 k( 162) = ( 0.3654579 -0.1417120 -0.5145250), wk = 0.0041152 k( 163) = ( 0.3753352 -0.1455421 -0.5284311), wk = 0.0041152 k( 164) = ( 0.3852124 -0.1493721 -0.5423371), wk = 0.0041152 k( 165) = ( 0.3950896 -0.1532022 -0.5562432), wk = 0.0041152 k( 166) = ( 0.6049104 0.1891897 -0.2954047), wk = 0.0041152 k( 167) = ( 0.5953730 0.2031172 -0.2954047), wk = 0.0041152 k( 168) = ( 0.5858357 0.2170447 -0.2954047), wk = 0.0041152 k( 169) = ( 0.5762984 0.2309721 -0.2954047), wk = 0.0041152 k( 170) = ( 0.5667611 0.2448996 -0.2954047), wk = 0.0041152 k( 171) = ( 0.5572238 0.2588271 -0.2954047), wk = 0.0041152 k( 172) = ( 0.5476865 0.2727545 -0.2954047), wk = 0.0041152 k( 173) = ( 0.5381492 0.2866820 -0.2954047), wk = 0.0041152 k( 174) = ( 0.5286119 0.3006095 -0.2954047), wk = 0.0041152 k( 175) = ( 0.5190746 0.3145370 -0.2954047), wk = 0.0041152 k( 176) = ( 0.5095373 0.3284644 -0.2954047), wk = 0.0041152 k( 177) = ( 0.5000000 0.3423919 -0.2954047), wk = 0.0041152 k( 178) = ( 0.5000000 0.3423919 -0.2954047), wk = 0.0041152 k( 179) = ( 0.5061712 0.3466178 -0.2800613), wk = 0.0041152 k( 180) = ( 0.5123424 0.3508438 -0.2647179), wk = 0.0041152 k( 181) = ( 0.5185136 0.3550697 -0.2493744), wk = 0.0041152 k( 182) = ( 0.5246848 0.3592956 -0.2340310), wk = 0.0041152 k( 183) = ( 0.5308560 0.3635216 -0.2186875), wk = 0.0041152 k( 184) = ( 0.5370272 0.3677475 -0.2033441), wk = 0.0041152 k( 185) = ( 0.5431984 0.3719734 -0.1880007), wk = 0.0041152 k( 186) = ( 0.5493696 0.3761994 -0.1726572), wk = 0.0041152 k( 187) = ( 0.5555408 0.3804253 -0.1573138), wk = 0.0041152 k( 188) = ( 0.5617120 0.3846513 -0.1419703), wk = 0.0041152 k( 189) = ( 0.5678832 0.3888772 -0.1266269), wk = 0.0041152 k( 190) = ( 0.5740544 0.3931031 -0.1112834), wk = 0.0041152 k( 191) = ( 0.5802256 0.3973291 -0.0959400), wk = 0.0041152 k( 192) = ( 0.5863968 0.4015550 -0.0805966), wk = 0.0041152 k( 193) = ( 0.5925680 0.4057809 -0.0652531), wk = 0.0041152 k( 194) = ( 0.5987392 0.4100069 -0.0499097), wk = 0.0041152 k( 195) = ( 0.6049104 0.4142328 -0.0345663), wk = 0.0041152 k( 196) = ( 0.6049104 0.4142328 -0.0345663), wk = 0.0041152 k( 197) = ( 0.5993888 0.4104517 -0.0190186), wk = 0.0041152 k( 198) = ( 0.5938672 0.4066706 -0.0034710), wk = 0.0041152 k( 199) = ( 0.5883456 0.4028895 0.0120766), wk = 0.0041152 k( 200) = ( 0.5828240 0.3991084 0.0276242), wk = 0.0041152 k( 201) = ( 0.5773024 0.3953273 0.0431718), wk = 0.0041152 k( 202) = ( 0.5717808 0.3915462 0.0587195), wk = 0.0041152 k( 203) = ( 0.5662592 0.3877651 0.0742671), wk = 0.0041152 k( 204) = ( 0.5607376 0.3839840 0.0898147), wk = 0.0041152 k( 205) = ( 0.5552160 0.3802029 0.1053623), wk = 0.0041152 k( 206) = ( 0.5496944 0.3764218 0.1209099), wk = 0.0041152 k( 207) = ( 0.5441728 0.3726407 0.1364576), wk = 0.0041152 k( 208) = ( 0.5386512 0.3688596 0.1520052), wk = 0.0041152 k( 209) = ( 0.5331296 0.3650785 0.1675528), wk = 0.0041152 k( 210) = ( 0.5276080 0.3612974 0.1831004), wk = 0.0041152 k( 211) = ( 0.5220864 0.3575163 0.1986480), wk = 0.0041152 k( 212) = ( 0.5165648 0.3537352 0.2141956), wk = 0.0041152 k( 213) = ( 0.5110432 0.3499541 0.2297433), wk = 0.0041152 k( 214) = ( 0.5055216 0.3461730 0.2452909), wk = 0.0041152 k( 215) = ( 0.5000000 0.3423919 0.2608385), wk = 0.0041152 k( 216) = ( 0.5000000 -0.1938828 -0.1477024), wk = 0.0041152 k( 217) = ( 0.5077711 -0.1812016 -0.1380417), wk = 0.0041152 k( 218) = ( 0.5155423 -0.1685204 -0.1283810), wk = 0.0041152 k( 219) = ( 0.5233134 -0.1558392 -0.1187203), wk = 0.0041152 k( 220) = ( 0.5310845 -0.1431581 -0.1090596), wk = 0.0041152 k( 221) = ( 0.5388557 -0.1304769 -0.0993989), wk = 0.0041152 k( 222) = ( 0.5466268 -0.1177957 -0.0897383), wk = 0.0041152 k( 223) = ( 0.5543980 -0.1051145 -0.0800776), wk = 0.0041152 k( 224) = ( 0.5621691 -0.0924333 -0.0704169), wk = 0.0041152 k( 225) = ( 0.5699402 -0.0797522 -0.0607562), wk = 0.0041152 k( 226) = ( 0.5777114 -0.0670710 -0.0510955), wk = 0.0041152 k( 227) = ( 0.5854825 -0.0543898 -0.0414348), wk = 0.0041152 k( 228) = ( 0.5932536 -0.0417086 -0.0317741), wk = 0.0041152 k( 229) = ( 0.6010248 -0.0290274 -0.0221135), wk = 0.0041152 k( 230) = ( 0.6087959 -0.0163462 -0.0124528), wk = 0.0041152 k( 231) = ( 0.6165671 -0.0036651 -0.0027921), wk = 0.0041152 k( 232) = ( 0.6243382 0.0090161 0.0068686), wk = 0.0041152 k( 233) = ( 0.6321093 0.0216973 0.0165293), wk = 0.0041152 k( 234) = ( 0.6398805 0.0343785 0.0261900), wk = 0.0041152 k( 235) = ( 0.6476516 0.0470596 0.0358506), wk = 0.0041152 k( 236) = ( 0.6554228 0.0597408 0.0455113), wk = 0.0041152 k( 237) = ( 0.6631939 0.0724220 0.0551720), wk = 0.0041152 k( 238) = ( 0.6709650 0.0851032 0.0648327), wk = 0.0041152 k( 239) = ( 0.6787362 0.0977844 0.0744934), wk = 0.0041152 k( 240) = ( 0.6865073 0.1104656 0.0841541), wk = 0.0041152 k( 241) = ( 0.6942784 0.1231467 0.0938147), wk = 0.0041152 k( 242) = ( 0.7020496 0.1358279 0.1034754), wk = 0.0041152 k( 243) = ( 0.7098207 0.1485091 0.1131361), wk = 0.0041152 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041152 k( 2) = ( 0.0156250 0.0000000 -0.0000000), wk = 0.0041152 k( 3) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0041152 k( 4) = ( 0.0468750 0.0000000 0.0000000), wk = 0.0041152 k( 5) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0041152 k( 6) = ( 0.0781250 0.0000000 0.0000000), wk = 0.0041152 k( 7) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0041152 k( 8) = ( 0.1093750 -0.0000000 0.0000000), wk = 0.0041152 k( 9) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0041152 k( 10) = ( 0.1406250 0.0000000 0.0000000), wk = 0.0041152 k( 11) = ( 0.1562500 0.0000000 0.0000000), wk = 0.0041152 k( 12) = ( 0.1718750 0.0000000 -0.0000000), wk = 0.0041152 k( 13) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0041152 k( 14) = ( 0.2031250 0.0000000 0.0000000), wk = 0.0041152 k( 15) = ( 0.2187500 -0.0000000 0.0000000), wk = 0.0041152 k( 16) = ( 0.2343750 0.0000000 0.0000000), wk = 0.0041152 k( 17) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0041152 k( 18) = ( 0.2656250 -0.0000000 0.0000000), wk = 0.0041152 k( 19) = ( 0.2812500 0.0000000 0.0000000), wk = 0.0041152 k( 20) = ( 0.2968750 -0.0000000 -0.0000000), wk = 0.0041152 k( 21) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0041152 k( 22) = ( 0.3281250 0.0000000 0.0000000), wk = 0.0041152 k( 23) = ( 0.3437500 0.0000000 -0.0000000), wk = 0.0041152 k( 24) = ( 0.3593750 0.0000000 0.0000000), wk = 0.0041152 k( 25) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0041152 k( 26) = ( 0.3906250 -0.0000000 -0.0000000), wk = 0.0041152 k( 27) = ( 0.4062500 0.0000000 0.0000000), wk = 0.0041152 k( 28) = ( 0.4218750 -0.0000000 0.0000000), wk = 0.0041152 k( 29) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0041152 k( 30) = ( 0.4531250 -0.0000000 -0.0000000), wk = 0.0041152 k( 31) = ( 0.4687500 0.0000000 0.0000000), wk = 0.0041152 k( 32) = ( 0.4843750 0.0000000 -0.0000000), wk = 0.0041152 k( 33) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0041152 k( 34) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0041152 k( 35) = ( 0.5000000 0.0100062 -0.0100062), wk = 0.0041152 k( 36) = ( 0.5000000 0.0200124 -0.0200124), wk = 0.0041152 k( 37) = ( 0.5000000 0.0300186 -0.0300186), wk = 0.0041152 k( 38) = ( 0.5000000 0.0400247 -0.0400247), wk = 0.0041152 k( 39) = ( 0.5000000 0.0500309 -0.0500309), wk = 0.0041152 k( 40) = ( 0.5000000 0.0600371 -0.0600371), wk = 0.0041152 k( 41) = ( 0.5000000 0.0700433 -0.0700433), wk = 0.0041152 k( 42) = ( 0.5000000 0.0800495 -0.0800495), wk = 0.0041152 k( 43) = ( 0.5000000 0.0900556 -0.0900556), wk = 0.0041152 k( 44) = ( 0.5000000 0.1000618 -0.1000618), wk = 0.0041152 k( 45) = ( 0.5000000 0.1100680 -0.1100680), wk = 0.0041152 k( 46) = ( 0.5000000 0.1200742 -0.1200742), wk = 0.0041152 k( 47) = ( 0.5000000 0.1300804 -0.1300804), wk = 0.0041152 k( 48) = ( 0.5000000 0.1400866 -0.1400866), wk = 0.0041152 k( 49) = ( 0.5000000 0.1500927 -0.1500927), wk = 0.0041152 k( 50) = ( 0.5000000 0.1600989 -0.1600989), wk = 0.0041152 k( 51) = ( 0.5000000 0.1701051 -0.1701051), wk = 0.0041152 k( 52) = ( 0.5000000 0.1801113 -0.1801113), wk = 0.0041152 k( 53) = ( 0.5000000 0.1901175 -0.1901175), wk = 0.0041152 k( 54) = ( 0.5000000 0.2001236 -0.2001236), wk = 0.0041152 k( 55) = ( 0.5000000 0.2101298 -0.2101298), wk = 0.0041152 k( 56) = ( 0.5000000 0.2201360 -0.2201360), wk = 0.0041152 k( 57) = ( 0.5000000 0.2301422 -0.2301422), wk = 0.0041152 k( 58) = ( 0.5000000 0.2401484 -0.2401484), wk = 0.0041152 k( 59) = ( 0.5000000 0.2501545 -0.2501546), wk = 0.0041152 k( 60) = ( 0.5000000 0.2601607 -0.2601607), wk = 0.0041152 k( 61) = ( 0.5000000 0.2701669 -0.2701669), wk = 0.0041152 k( 62) = ( 0.5000000 0.2801731 -0.2801731), wk = 0.0041152 k( 63) = ( 0.5000000 0.2901793 -0.2901793), wk = 0.0041152 k( 64) = ( 0.7098207 0.5000000 0.2901793), wk = 0.0041152 k( 65) = ( 0.6998292 0.5000000 0.3001707), wk = 0.0041152 k( 66) = ( 0.6898378 0.5000000 0.3101622), wk = 0.0041152 k( 67) = ( 0.6798463 0.5000000 0.3201537), wk = 0.0041152 k( 68) = ( 0.6698549 0.5000000 0.3301451), wk = 0.0041152 k( 69) = ( 0.6598634 0.5000000 0.3401366), wk = 0.0041152 k( 70) = ( 0.6498719 0.5000000 0.3501281), wk = 0.0041152 k( 71) = ( 0.6398805 0.5000000 0.3601195), wk = 0.0041152 k( 72) = ( 0.6298890 0.5000000 0.3701110), wk = 0.0041152 k( 73) = ( 0.6198976 0.5000000 0.3801025), wk = 0.0041152 k( 74) = ( 0.6099061 0.5000000 0.3900939), wk = 0.0041152 k( 75) = ( 0.5999146 0.5000000 0.4000854), wk = 0.0041152 k( 76) = ( 0.5899232 0.5000000 0.4100768), wk = 0.0041152 k( 77) = ( 0.5799317 0.5000000 0.4200683), wk = 0.0041152 k( 78) = ( 0.5699402 0.5000000 0.4300598), wk = 0.0041152 k( 79) = ( 0.5599488 0.5000000 0.4400512), wk = 0.0041152 k( 80) = ( 0.5499573 0.5000000 0.4500427), wk = 0.0041152 k( 81) = ( 0.5399658 0.5000000 0.4600342), wk = 0.0041152 k( 82) = ( 0.5299744 0.5000000 0.4700256), wk = 0.0041152 k( 83) = ( 0.5199829 0.5000000 0.4800171), wk = 0.0041152 k( 84) = ( 0.5099915 0.5000000 0.4900085), wk = 0.0041152 k( 85) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041152 k( 86) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041152 k( 87) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0041152 k( 88) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0041152 k( 89) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0041152 k( 90) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0041152 k( 91) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0041152 k( 92) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0041152 k( 93) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0041152 k( 94) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0041152 k( 95) = ( 0.3815789 0.3815790 0.3815790), wk = 0.0041152 k( 96) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0041152 k( 97) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0041152 k( 98) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0041152 k( 99) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0041152 k( 100) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0041152 k( 101) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0041152 k( 102) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0041152 k( 103) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0041152 k( 104) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0041152 k( 105) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0041152 k( 106) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0041152 k( 107) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0041152 k( 108) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0041152 k( 109) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0041152 k( 110) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0041152 k( 111) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0041152 k( 112) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0041152 k( 113) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0041152 k( 114) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0041152 k( 115) = ( 0.1184210 0.1184210 0.1184211), wk = 0.0041152 k( 116) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0041152 k( 117) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0041152 k( 118) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0041152 k( 119) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0041152 k( 120) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0041152 k( 121) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0041152 k( 122) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0041152 k( 123) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0041152 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041152 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041152 k( 126) = ( 0.0098772 -0.0000000 -0.0098772), wk = 0.0041152 k( 127) = ( 0.0197545 -0.0000000 -0.0197545), wk = 0.0041152 k( 128) = ( 0.0296317 -0.0000000 -0.0296317), wk = 0.0041152 k( 129) = ( 0.0395090 -0.0000000 -0.0395090), wk = 0.0041152 k( 130) = ( 0.0493862 0.0000000 -0.0493862), wk = 0.0041152 k( 131) = ( 0.0592635 0.0000000 -0.0592635), wk = 0.0041152 k( 132) = ( 0.0691407 0.0000000 -0.0691407), wk = 0.0041152 k( 133) = ( 0.0790179 -0.0000000 -0.0790179), wk = 0.0041152 k( 134) = ( 0.0888952 0.0000000 -0.0888952), wk = 0.0041152 k( 135) = ( 0.0987724 0.0000000 -0.0987724), wk = 0.0041152 k( 136) = ( 0.1086497 0.0000000 -0.1086497), wk = 0.0041152 k( 137) = ( 0.1185269 -0.0000000 -0.1185269), wk = 0.0041152 k( 138) = ( 0.1284041 -0.0000000 -0.1284041), wk = 0.0041152 k( 139) = ( 0.1382814 -0.0000000 -0.1382814), wk = 0.0041152 k( 140) = ( 0.1481586 -0.0000000 -0.1481586), wk = 0.0041152 k( 141) = ( 0.1580359 -0.0000000 -0.1580359), wk = 0.0041152 k( 142) = ( 0.1679131 0.0000000 -0.1679131), wk = 0.0041152 k( 143) = ( 0.1777903 0.0000000 -0.1777903), wk = 0.0041152 k( 144) = ( 0.1876676 0.0000000 -0.1876676), wk = 0.0041152 k( 145) = ( 0.1975448 0.0000000 -0.1975448), wk = 0.0041152 k( 146) = ( 0.2074221 0.0000000 -0.2074221), wk = 0.0041152 k( 147) = ( 0.2172993 0.0000000 -0.2172993), wk = 0.0041152 k( 148) = ( 0.2271765 0.0000000 -0.2271765), wk = 0.0041152 k( 149) = ( 0.2370538 -0.0000000 -0.2370538), wk = 0.0041152 k( 150) = ( 0.2469310 0.0000000 -0.2469310), wk = 0.0041152 k( 151) = ( 0.2568083 0.0000000 -0.2568083), wk = 0.0041152 k( 152) = ( 0.2666855 -0.0000000 -0.2666855), wk = 0.0041152 k( 153) = ( 0.2765628 -0.0000000 -0.2765628), wk = 0.0041152 k( 154) = ( 0.2864400 -0.0000000 -0.2864400), wk = 0.0041152 k( 155) = ( 0.2963172 0.0000000 -0.2963172), wk = 0.0041152 k( 156) = ( 0.3061945 0.0000000 -0.3061945), wk = 0.0041152 k( 157) = ( 0.3160717 -0.0000000 -0.3160717), wk = 0.0041152 k( 158) = ( 0.3259490 0.0000000 -0.3259490), wk = 0.0041152 k( 159) = ( 0.3358262 0.0000000 -0.3358262), wk = 0.0041152 k( 160) = ( 0.3457034 0.0000000 -0.3457034), wk = 0.0041152 k( 161) = ( 0.3555807 0.0000000 -0.3555807), wk = 0.0041152 k( 162) = ( 0.3654579 0.0000000 -0.3654579), wk = 0.0041152 k( 163) = ( 0.3753352 0.0000000 -0.3753352), wk = 0.0041152 k( 164) = ( 0.3852124 0.0000000 -0.3852124), wk = 0.0041152 k( 165) = ( 0.3950896 0.0000000 -0.3950896), wk = 0.0041152 k( 166) = ( 0.6049104 0.3950896 -0.0000000), wk = 0.0041152 k( 167) = ( 0.5953730 0.4046270 -0.0000000), wk = 0.0041152 k( 168) = ( 0.5858357 0.4141643 0.0000000), wk = 0.0041152 k( 169) = ( 0.5762984 0.4237016 -0.0000000), wk = 0.0041152 k( 170) = ( 0.5667611 0.4332389 -0.0000000), wk = 0.0041152 k( 171) = ( 0.5572238 0.4427762 -0.0000000), wk = 0.0041152 k( 172) = ( 0.5476865 0.4523135 -0.0000000), wk = 0.0041152 k( 173) = ( 0.5381492 0.4618508 0.0000000), wk = 0.0041152 k( 174) = ( 0.5286119 0.4713881 -0.0000000), wk = 0.0041152 k( 175) = ( 0.5190746 0.4809254 0.0000000), wk = 0.0041152 k( 176) = ( 0.5095373 0.4904627 0.0000000), wk = 0.0041152 k( 177) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0041152 k( 178) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0041152 k( 179) = ( 0.5061712 0.5061712 0.0170694), wk = 0.0041152 k( 180) = ( 0.5123424 0.5123424 0.0341387), wk = 0.0041152 k( 181) = ( 0.5185136 0.5185136 0.0512081), wk = 0.0041152 k( 182) = ( 0.5246848 0.5246848 0.0682775), wk = 0.0041152 k( 183) = ( 0.5308560 0.5308560 0.0853468), wk = 0.0041152 k( 184) = ( 0.5370272 0.5370272 0.1024162), wk = 0.0041152 k( 185) = ( 0.5431984 0.5431984 0.1194856), wk = 0.0041152 k( 186) = ( 0.5493696 0.5493696 0.1365550), wk = 0.0041152 k( 187) = ( 0.5555408 0.5555408 0.1536243), wk = 0.0041152 k( 188) = ( 0.5617120 0.5617120 0.1706937), wk = 0.0041152 k( 189) = ( 0.5678832 0.5678832 0.1877631), wk = 0.0041152 k( 190) = ( 0.5740544 0.5740544 0.2048324), wk = 0.0041152 k( 191) = ( 0.5802256 0.5802256 0.2219018), wk = 0.0041152 k( 192) = ( 0.5863968 0.5863968 0.2389712), wk = 0.0041152 k( 193) = ( 0.5925680 0.5925680 0.2560405), wk = 0.0041152 k( 194) = ( 0.5987392 0.5987392 0.2731099), wk = 0.0041152 k( 195) = ( 0.6049104 0.6049104 0.2901793), wk = 0.0041152 k( 196) = ( 0.6049104 0.6049104 0.2901793), wk = 0.0041152 k( 197) = ( 0.5993888 0.5993888 0.3012225), wk = 0.0041152 k( 198) = ( 0.5938672 0.5938672 0.3122657), wk = 0.0041152 k( 199) = ( 0.5883456 0.5883456 0.3233089), wk = 0.0041152 k( 200) = ( 0.5828240 0.5828240 0.3343521), wk = 0.0041152 k( 201) = ( 0.5773024 0.5773024 0.3453953), wk = 0.0041152 k( 202) = ( 0.5717808 0.5717808 0.3564385), wk = 0.0041152 k( 203) = ( 0.5662592 0.5662592 0.3674817), wk = 0.0041152 k( 204) = ( 0.5607376 0.5607376 0.3785249), wk = 0.0041152 k( 205) = ( 0.5552160 0.5552160 0.3895680), wk = 0.0041152 k( 206) = ( 0.5496944 0.5496944 0.4006112), wk = 0.0041152 k( 207) = ( 0.5441728 0.5441728 0.4116544), wk = 0.0041152 k( 208) = ( 0.5386512 0.5386512 0.4226976), wk = 0.0041152 k( 209) = ( 0.5331296 0.5331296 0.4337408), wk = 0.0041152 k( 210) = ( 0.5276080 0.5276080 0.4447840), wk = 0.0041152 k( 211) = ( 0.5220864 0.5220864 0.4558272), wk = 0.0041152 k( 212) = ( 0.5165648 0.5165648 0.4668704), wk = 0.0041152 k( 213) = ( 0.5110432 0.5110432 0.4779136), wk = 0.0041152 k( 214) = ( 0.5055216 0.5055216 0.4889568), wk = 0.0041152 k( 215) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041152 k( 216) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0041152 k( 217) = ( 0.5077711 0.0146330 0.0146330), wk = 0.0041152 k( 218) = ( 0.5155423 0.0292659 0.0292659), wk = 0.0041152 k( 219) = ( 0.5233134 0.0438989 0.0438989), wk = 0.0041152 k( 220) = ( 0.5310845 0.0585318 0.0585318), wk = 0.0041152 k( 221) = ( 0.5388557 0.0731648 0.0731648), wk = 0.0041152 k( 222) = ( 0.5466268 0.0877977 0.0877977), wk = 0.0041152 k( 223) = ( 0.5543980 0.1024307 0.1024307), wk = 0.0041152 k( 224) = ( 0.5621691 0.1170636 0.1170636), wk = 0.0041152 k( 225) = ( 0.5699402 0.1316965 0.1316966), wk = 0.0041152 k( 226) = ( 0.5777114 0.1463295 0.1463295), wk = 0.0041152 k( 227) = ( 0.5854825 0.1609625 0.1609625), wk = 0.0041152 k( 228) = ( 0.5932536 0.1755954 0.1755954), wk = 0.0041152 k( 229) = ( 0.6010248 0.1902284 0.1902284), wk = 0.0041152 k( 230) = ( 0.6087959 0.2048613 0.2048613), wk = 0.0041152 k( 231) = ( 0.6165671 0.2194943 0.2194943), wk = 0.0041152 k( 232) = ( 0.6243382 0.2341272 0.2341272), wk = 0.0041152 k( 233) = ( 0.6321093 0.2487601 0.2487601), wk = 0.0041152 k( 234) = ( 0.6398805 0.2633931 0.2633931), wk = 0.0041152 k( 235) = ( 0.6476516 0.2780260 0.2780260), wk = 0.0041152 k( 236) = ( 0.6554228 0.2926590 0.2926590), wk = 0.0041152 k( 237) = ( 0.6631939 0.3072919 0.3072919), wk = 0.0041152 k( 238) = ( 0.6709650 0.3219249 0.3219249), wk = 0.0041152 k( 239) = ( 0.6787362 0.3365578 0.3365578), wk = 0.0041152 k( 240) = ( 0.6865073 0.3511908 0.3511908), wk = 0.0041152 k( 241) = ( 0.6942784 0.3658237 0.3658237), wk = 0.0041152 k( 242) = ( 0.7020496 0.3804567 0.3804567), wk = 0.0041152 k( 243) = ( 0.7098207 0.3950896 0.3950896), wk = 0.0041152 Dense grid: 98399 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 39189 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 274, 58) NL pseudopotentials 0.56 Mb ( 137, 270) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2733) G-vector shells 0.02 Mb ( 2207) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.97 Mb ( 274, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.48 Mb ( 270, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SiB4.save/charge-density.dat Starting wfc are 120 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.5 secs Computing kpt #: 11 total cpu time spent up to now is 8.1 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.4 secs Computing kpt #: 14 total cpu time spent up to now is 10.1 secs Computing kpt #: 15 total cpu time spent up to now is 10.8 secs Computing kpt #: 16 total cpu time spent up to now is 11.5 secs Computing kpt #: 17 total cpu time spent up to now is 12.3 secs Computing kpt #: 18 total cpu time spent up to now is 13.1 secs Computing kpt #: 19 total cpu time spent up to now is 14.0 secs Computing kpt #: 20 total cpu time spent up to now is 14.8 secs Computing kpt #: 21 total cpu time spent up to now is 15.7 secs Computing kpt #: 22 total cpu time spent up to now is 16.5 secs Computing kpt #: 23 total cpu time spent up to now is 17.3 secs Computing kpt #: 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cpu time spent up to now is 113.6 secs Computing kpt #: 164 total cpu time spent up to now is 114.3 secs Computing kpt #: 165 total cpu time spent up to now is 115.0 secs Computing kpt #: 166 total cpu time spent up to now is 115.7 secs Computing kpt #: 167 total cpu time spent up to now is 116.4 secs Computing kpt #: 168 total cpu time spent up to now is 117.1 secs Computing kpt #: 169 total cpu time spent up to now is 117.8 secs Computing kpt #: 170 total cpu time spent up to now is 118.5 secs Computing kpt #: 171 total cpu time spent up to now is 119.2 secs Computing kpt #: 172 total cpu time spent up to now is 119.9 secs Computing kpt #: 173 total cpu time spent up to now is 120.6 secs Computing kpt #: 174 total cpu time spent up to now is 121.4 secs Computing kpt #: 175 total cpu time spent up to now is 122.1 secs Computing kpt #: 176 total cpu time spent up to now is 122.8 secs Computing kpt #: 177 total cpu time spent up to now is 123.6 secs Computing kpt #: 178 total cpu time spent up to now is 124.4 secs Computing kpt #: 179 total cpu time spent up to now is 125.1 secs Computing kpt #: 180 total cpu time spent up to now is 125.8 secs Computing kpt #: 181 total cpu time spent up to now is 126.5 secs Computing kpt #: 182 total cpu time spent up to now is 127.2 secs Computing kpt #: 183 total cpu time spent up to now is 127.9 secs Computing kpt #: 184 total cpu time spent up to now is 128.6 secs Computing kpt #: 185 total cpu time spent up to now is 129.3 secs Computing kpt #: 186 total cpu time spent up to now is 130.0 secs Computing kpt #: 187 total cpu time spent up to now is 130.7 secs Computing kpt #: 188 total cpu time spent up to now is 131.4 secs Computing kpt #: 189 total cpu time spent up to now is 132.1 secs Computing kpt #: 190 total cpu time spent up to now is 132.7 secs Computing kpt #: 191 total cpu time spent up to now is 133.4 secs Computing kpt #: 192 total cpu time spent up to now is 134.1 secs Computing kpt #: 193 total cpu time spent up to now is 134.8 secs Computing kpt #: 194 total cpu time spent up to now is 135.5 secs Computing kpt #: 195 total cpu time spent up to now is 136.2 secs Computing kpt #: 196 total cpu time spent up to now is 136.9 secs Computing kpt #: 197 total cpu time spent up to now is 137.6 secs Computing kpt #: 198 total cpu time spent up to now is 138.3 secs Computing kpt #: 199 total cpu time spent up to now is 138.9 secs Computing kpt #: 200 total cpu time spent up to now is 139.6 secs Computing kpt #: 201 total cpu time spent up to now is 140.3 secs Computing kpt #: 202 total cpu time spent up to now is 140.9 secs Computing kpt #: 203 total cpu time spent up to now is 141.6 secs Computing kpt #: 204 total cpu time spent up to now is 142.3 secs Computing kpt #: 205 total cpu time spent up to now is 142.9 secs Computing kpt #: 206 total cpu time spent up to now is 143.6 secs Computing kpt #: 207 total cpu time spent up to now is 144.2 secs Computing kpt #: 208 total cpu time spent up to now is 144.9 secs Computing kpt #: 209 total cpu time spent up to now is 145.5 secs Computing kpt #: 210 total cpu time spent up to now is 146.2 secs Computing kpt #: 211 total cpu time spent up to now is 146.9 secs Computing kpt #: 212 total cpu time spent up to now is 147.6 secs Computing kpt #: 213 total cpu time spent up to now is 148.2 secs Computing kpt #: 214 total cpu time spent up to now is 148.9 secs Computing kpt #: 215 total cpu time spent up to now is 149.5 secs Computing kpt #: 216 total cpu time spent up to now is 150.1 secs Computing kpt #: 217 total cpu time spent up to now is 150.8 secs Computing kpt #: 218 total cpu time spent up to now is 151.5 secs Computing kpt #: 219 total cpu time spent up to now is 152.2 secs Computing kpt #: 220 total cpu time spent up to now is 152.9 secs Computing kpt #: 221 total cpu time spent up to now is 153.6 secs Computing kpt #: 222 total cpu time spent up to now is 154.3 secs Computing kpt #: 223 total cpu time spent up to now is 155.1 secs Computing kpt #: 224 total cpu time spent up to now is 155.8 secs Computing kpt #: 225 total cpu time spent up to now is 156.6 secs Computing kpt #: 226 total cpu time spent up to now is 157.4 secs Computing kpt #: 227 total cpu time spent up to now is 158.3 secs Computing kpt #: 228 total cpu time spent up to now is 159.1 secs Computing kpt #: 229 total cpu time spent up to now is 159.9 secs Computing kpt #: 230 total cpu time spent up to now is 160.7 secs Computing kpt #: 231 total cpu time spent up to now is 161.6 secs Computing kpt #: 232 total cpu time spent up to now is 162.4 secs Computing kpt #: 233 total cpu time spent up to now is 163.2 secs Computing kpt #: 234 total cpu time spent up to now is 164.1 secs Computing kpt #: 235 total cpu time spent up to now is 164.8 secs Computing kpt #: 236 total cpu time spent up to now is 165.4 secs Computing kpt #: 237 total cpu time spent up to now is 166.1 secs Computing kpt #: 238 total cpu time spent up to now is 166.7 secs Computing kpt #: 239 total cpu time spent up to now is 167.4 secs Computing kpt #: 240 total cpu time spent up to now is 168.1 secs Computing kpt #: 241 total cpu time spent up to now is 168.7 secs Computing kpt #: 242 total cpu time spent up to now is 169.4 secs Computing kpt #: 243 total cpu time spent up to now is 170.1 secs ethr = 2.08E-08, avg # of iterations = 17.0 total cpu time spent up to now is 170.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4895 PWs) bands (ev): -6.7730 -6.7730 -3.9978 -3.9978 -2.8432 -2.8432 -2.3396 -2.3396 -2.3367 -2.3367 -0.6829 -0.6829 -0.2500 -0.2500 -0.2446 -0.2446 0.8064 0.8064 0.8096 0.8096 1.0333 1.0333 1.7587 1.7587 1.7751 1.7751 2.1402 2.1402 3.0376 3.0376 4.6676 4.6676 4.6734 4.6734 5.1504 5.1504 5.9422 5.9422 6.1258 6.1258 6.1380 6.1380 6.9646 6.9646 6.9651 6.9651 7.5464 7.5464 9.6082 9.6082 9.6088 9.6088 9.9204 9.9204 9.9397 9.9397 10.6541 10.6541 k = 0.0156-0.0061-0.0046 ( 4903 PWs) bands (ev): -6.7720 -6.7720 -4.0010 -4.0010 -2.8441 -2.8441 -2.3393 -2.3393 -2.3360 -2.3360 -0.6864 -0.6864 -0.2474 -0.2474 -0.2413 -0.2413 0.8018 0.8018 0.8118 0.8118 1.0320 1.0320 1.7565 1.7565 1.7778 1.7778 2.1511 2.1511 3.0409 3.0409 4.6625 4.6625 4.6714 4.6714 5.1454 5.1454 5.9460 5.9460 6.1223 6.1223 6.1349 6.1349 6.9612 6.9612 6.9660 6.9660 7.5471 7.5471 9.6085 9.6085 9.6144 9.6144 9.9160 9.9160 9.9363 9.9363 10.6627 10.6627 k = 0.0312-0.0121-0.0092 ( 4903 PWs) bands (ev): -6.7691 -6.7691 -4.0105 -4.0105 -2.8470 -2.8470 -2.3391 -2.3391 -2.3330 -2.3330 -0.6967 -0.6967 -0.2417 -0.2417 -0.2290 -0.2290 0.7847 0.7847 0.8221 0.8221 1.0281 1.0281 1.7419 1.7419 1.7961 1.7961 2.1814 2.1814 3.0508 3.0508 4.6427 4.6427 4.6702 4.6702 5.1311 5.1311 5.9569 5.9569 6.1098 6.1098 6.1277 6.1277 6.9505 6.9505 6.9694 6.9694 7.5491 7.5491 9.6086 9.6086 9.6321 9.6321 9.8991 9.8991 9.9310 9.9310 10.6875 10.6875 k = 0.0469-0.0182-0.0138 ( 4903 PWs) bands (ev): -6.7642 -6.7642 -4.0263 -4.0263 -2.8517 -2.8517 -2.3396 -2.3396 -2.3272 -2.3272 -0.7132 -0.7132 -0.2336 -0.2336 -0.2077 -0.2077 0.7576 0.7576 0.8386 0.8386 1.0217 1.0217 1.7201 1.7201 1.8288 1.8288 2.2258 2.2258 3.0672 3.0672 4.6102 4.6102 4.6685 4.6685 5.1085 5.1085 5.9734 5.9734 6.0871 6.0871 6.1182 6.1182 6.9328 6.9328 6.9747 6.9747 7.5521 7.5521 9.6085 9.6085 9.6614 9.6614 9.8695 9.8695 9.9267 9.9267 10.7260 10.7260 k = 0.0625-0.0242-0.0185 ( 4905 PWs) bands (ev): -6.7573 -6.7573 -4.0481 -4.0481 -2.8581 -2.8581 -2.3405 -2.3405 -2.3189 -2.3189 -0.7353 -0.7353 -0.2228 -0.2228 -0.1782 -0.1782 0.7226 0.7226 0.8600 0.8600 1.0130 1.0130 1.6981 1.6981 1.8722 1.8722 2.2796 2.2796 3.0899 3.0899 4.5673 4.5673 4.6649 4.6649 5.0798 5.0798 5.9918 5.9918 6.0567 6.0567 6.1056 6.1056 6.9086 6.9086 6.9817 6.9817 7.5553 7.5553 9.6079 9.6079 9.7020 9.7020 9.8320 9.8320 9.9219 9.9219 10.7752 10.7752 k = 0.0781-0.0303-0.0231 ( 4906 PWs) bands (ev): -6.7484 -6.7484 -4.0755 -4.0755 -2.8660 -2.8660 -2.3417 -2.3417 -2.3084 -2.3084 -0.7623 -0.7623 -0.2090 -0.2090 -0.1414 -0.1414 0.6817 0.6817 0.8843 0.8843 1.0029 1.0029 1.6801 1.6801 1.9239 1.9239 2.3393 2.3393 3.1186 3.1186 4.5163 4.5163 4.6574 4.6574 5.0479 5.0479 5.9922 5.9922 6.0375 6.0375 6.0895 6.0895 6.8783 6.8783 6.9899 6.9899 7.5579 7.5579 9.6056 9.6056 9.7534 9.7534 9.7912 9.7912 9.9157 9.9157 10.8324 10.8324 k = 0.0938-0.0364-0.0277 ( 4905 PWs) bands (ev): -6.7376 -6.7376 -4.1084 -4.1084 -2.8752 -2.8752 -2.3431 -2.3431 -2.2958 -2.2958 -0.7931 -0.7931 -0.1925 -0.1925 -0.0982 -0.0982 0.6367 0.6367 0.9075 0.9075 0.9938 0.9938 1.6691 1.6691 1.9822 1.9822 2.4026 2.4026 3.1527 3.1527 4.4597 4.4597 4.6435 4.6435 5.0168 5.0168 5.9496 5.9496 6.0529 6.0529 6.0698 6.0698 6.8424 6.8424 6.9988 6.9988 7.5592 7.5592 9.5988 9.5988 9.7522 9.7522 9.8146 9.8146 9.9082 9.9082 10.8956 10.8956 k = 0.1094-0.0424-0.0323 ( 4903 PWs) bands (ev): -6.7249 -6.7249 -4.1462 -4.1462 -2.8854 -2.8854 -2.3447 -2.3447 -2.2812 -2.2812 -0.8270 -0.8270 -0.1734 -0.1734 -0.0494 -0.0494 0.5891 0.5891 0.9210 0.9210 0.9934 0.9934 1.6673 1.6673 2.0453 2.0453 2.4676 2.4676 3.1920 3.1920 4.3999 4.3999 4.6203 4.6203 4.9906 4.9906 5.8918 5.8918 6.0454 6.0454 6.0749 6.0749 6.8016 6.8016 7.0080 7.0080 7.5583 7.5583 9.5820 9.5820 9.7223 9.7223 9.8749 9.8749 9.9087 9.9087 10.9635 10.9635 k = 0.1250-0.0485-0.0369 ( 4899 PWs) bands (ev): -6.7102 -6.7102 -4.1886 -4.1886 -2.8965 -2.8965 -2.3464 -2.3464 -2.2650 -2.2650 -0.8632 -0.8632 -0.1518 -0.1518 0.0040 0.0040 0.5401 0.5401 0.9162 0.9162 1.0094 1.0094 1.6762 1.6762 2.1119 2.1119 2.5327 2.5327 3.2359 3.2359 4.3392 4.3392 4.5856 4.5856 4.9729 4.9729 5.8255 5.8255 6.0176 6.0176 6.0941 6.0941 6.7567 6.7567 7.0170 7.0170 7.5545 7.5545 9.5505 9.5505 9.7071 9.7071 9.8753 9.8753 9.9751 9.9751 11.0351 11.0351 k = 0.1406-0.0545-0.0415 ( 4894 PWs) bands (ev): -6.6936 -6.6936 -4.2350 -4.2350 -2.9082 -2.9082 -2.3483 -2.3483 -2.2472 -2.2472 -0.9010 -0.9010 -0.1281 -0.1281 0.0606 0.0606 0.4909 0.4909 0.8994 0.8994 1.0355 1.0355 1.6966 1.6966 2.1809 2.1809 2.5962 2.5962 3.2838 3.2838 4.2803 4.2803 4.5391 4.5391 4.9651 4.9651 5.7522 5.7522 5.9860 5.9860 6.1085 6.1085 6.7088 6.7088 7.0256 7.0256 7.5470 7.5470 9.5066 9.5066 9.7053 9.7053 9.8579 9.8579 10.0642 10.0642 11.1098 11.1098 k = 0.1562-0.0606-0.0462 ( 4894 PWs) bands (ev): -6.6752 -6.6752 -4.2852 -4.2852 -2.9201 -2.9201 -2.3502 -2.3502 -2.2282 -2.2282 -0.9398 -0.9398 -0.1027 -0.1027 0.1192 0.1192 0.4424 0.4424 0.8780 0.8780 1.0653 1.0653 1.7285 1.7285 2.2512 2.2512 2.6562 2.6562 3.3351 3.3351 4.2260 4.2260 4.4827 4.4827 4.9666 4.9666 5.6727 5.6727 5.9509 5.9509 6.1157 6.1157 6.6594 6.6594 7.0335 7.0335 7.5353 7.5353 9.4555 9.4555 9.7120 9.7120 9.8351 9.8351 10.1624 10.1624 11.1874 11.1874 k = 0.1719-0.0666-0.0508 ( 4882 PWs) bands (ev): -6.6548 -6.6548 -4.3385 -4.3385 -2.9322 -2.9322 -2.3522 -2.3522 -2.2083 -2.2083 -0.9789 -0.9789 -0.0762 -0.0762 0.1780 0.1780 0.3956 0.3956 0.8553 0.8553 1.0970 1.0970 1.7713 1.7713 2.3220 2.3220 2.7104 2.7104 3.3893 3.3893 4.1792 4.1792 4.4191 4.4191 4.9756 4.9756 5.5879 5.5879 5.9126 5.9126 6.1133 6.1133 6.6105 6.6105 7.0404 7.0404 7.5187 7.5187 9.4008 9.4008 9.7238 9.7238 9.8074 9.8074 10.2680 10.2680 11.2674 11.2674 k = 0.1875-0.0727-0.0554 ( 4887 PWs) bands (ev): -6.6327 -6.6327 -4.3946 -4.3946 -2.9442 -2.9442 -2.3543 -2.3543 -2.1877 -2.1877 -1.0180 -1.0180 -0.0495 -0.0495 0.2350 0.2350 0.3518 0.3518 0.8336 0.8336 1.1310 1.1310 1.8239 1.8239 2.3922 2.3922 2.7561 2.7561 3.4459 3.4459 4.1430 4.1430 4.3513 4.3513 4.9905 4.9905 5.4985 5.4985 5.8716 5.8716 6.0989 6.0989 6.5643 6.5643 7.0463 7.0463 7.4970 7.4970 9.3442 9.3442 9.7392 9.7392 9.7747 9.7747 10.3800 10.3800 11.3497 11.3497 k = 0.2031-0.0788-0.0600 ( 4889 PWs) bands (ev): -6.6087 -6.6087 -4.4531 -4.4531 -2.9560 -2.9560 -2.3563 -2.3563 -2.1666 -2.1666 -1.0566 -1.0566 -0.0242 -0.0242 0.2878 0.2878 0.3128 0.3128 0.8149 0.8149 1.1684 1.1684 1.8850 1.8850 2.4610 2.4610 2.7905 2.7905 3.5050 3.5050 4.1204 4.1204 4.2817 4.2817 5.0095 5.0095 5.4051 5.4051 5.8282 5.8282 6.0704 6.0704 6.5229 6.5229 7.0511 7.0511 7.4696 7.4696 9.2867 9.2867 9.7367 9.7367 9.7571 9.7571 10.4976 10.4976 11.4339 11.4339 k = 0.2188-0.0848-0.0646 ( 4900 PWs) bands (ev): -6.5829 -6.5829 -4.5135 -4.5135 -2.9674 -2.9674 -2.3583 -2.3583 -2.1455 -2.1455 -1.0944 -1.0944 -0.0031 -0.0031 0.2813 0.2813 0.3335 0.3335 0.8015 0.8015 1.2105 1.2105 1.9531 1.9531 2.5272 2.5272 2.8111 2.8111 3.5666 3.5666 4.1136 4.1136 4.2126 4.2126 5.0314 5.0314 5.3085 5.3085 5.7833 5.7833 6.0270 6.0270 6.4872 6.4872 7.0547 7.0547 7.4364 7.4364 9.2289 9.2289 9.6939 9.6939 9.7767 9.7767 10.6197 10.6197 11.5194 11.5194 k = 0.2344-0.0909-0.0692 ( 4900 PWs) bands (ev): -6.5554 -6.5554 -4.5755 -4.5755 -2.9783 -2.9783 -2.3602 -2.3602 -2.1244 -2.1244 -1.1309 -1.1309 0.0097 0.0097 0.2616 0.2616 0.3693 0.3693 0.7957 0.7957 1.2588 1.2588 2.0267 2.0267 2.5896 2.5896 2.8164 2.8164 3.6315 3.6315 4.1230 4.1230 4.1463 4.1463 5.0550 5.0550 5.2096 5.2096 5.7376 5.7376 5.9696 5.9696 6.4567 6.4567 7.0570 7.0570 7.3974 7.3974 9.1714 9.1714 9.6464 9.6464 9.7978 9.7978 10.7455 10.7455 11.6051 11.6051 k = 0.2500-0.0969-0.0739 ( 4907 PWs) bands (ev): -6.5262 -6.5262 -4.6386 -4.6386 -2.9887 -2.9887 -2.3620 -2.3620 -2.1037 -2.1037 -1.1659 -1.1659 0.0101 0.0101 0.2577 0.2577 0.3929 0.3929 0.7991 0.7991 1.3142 1.3142 2.1044 2.1044 2.6468 2.6468 2.8068 2.8068 3.7003 3.7003 4.0848 4.0848 4.1474 4.1474 5.0786 5.0786 5.1096 5.1096 5.6923 5.6923 5.9000 5.9000 6.4296 6.4296 7.0581 7.0581 7.3524 7.3524 9.1145 9.1145 9.5945 9.5945 9.8199 9.8199 10.8735 10.8735 11.6889 11.6889 k = 0.2656-0.1030-0.0785 ( 4904 PWs) bands (ev): -6.4954 -6.4954 -4.7026 -4.7026 -2.9984 -2.9984 -2.3637 -2.3637 -2.0837 -2.0837 -1.1991 -1.1991 -0.0023 -0.0023 0.2700 0.2700 0.4042 0.4042 0.8118 0.8118 1.3775 1.3775 2.1844 2.1844 2.6970 2.6970 2.7844 2.7844 3.7732 3.7732 4.0305 4.0305 4.1837 4.1837 5.0100 5.0100 5.1007 5.1007 5.6489 5.6489 5.8210 5.8210 6.4037 6.4037 7.0578 7.0578 7.3018 7.3018 9.0586 9.0586 9.5389 9.5389 9.8428 9.8428 11.0025 11.0025 11.7555 11.7555 k = 0.2812-0.1091-0.0831 ( 4902 PWs) bands (ev): -6.4631 -6.4631 -4.7671 -4.7671 -3.0075 -3.0075 -2.3653 -2.3653 -2.0646 -2.0646 -1.2304 -1.2304 -0.0240 -0.0240 0.2947 0.2947 0.4047 0.4047 0.8323 0.8323 1.4487 1.4487 2.2643 2.2643 2.7377 2.7377 2.7542 2.7542 3.8498 3.8498 3.9856 3.9856 4.2269 4.2269 4.9139 4.9139 5.1186 5.1186 5.6098 5.6098 5.7349 5.7349 6.3771 6.3771 7.0563 7.0563 7.2457 7.2457 9.0042 9.0042 9.4803 9.4803 9.8663 9.8663 11.1305 11.1305 11.7004 11.7004 k = 0.2969-0.1151-0.0877 ( 4900 PWs) bands (ev): -6.4292 -6.4292 -4.8317 -4.8317 -3.0159 -3.0159 -2.3668 -2.3668 -2.0465 -2.0465 -1.2594 -1.2594 -0.0504 -0.0504 0.3273 0.3273 0.3974 0.3974 0.8582 0.8582 1.5273 1.5273 2.3393 2.3393 2.7203 2.7203 2.7700 2.7700 3.9290 3.9290 3.9525 3.9525 4.2701 4.2701 4.8266 4.8266 5.1293 5.1293 5.5779 5.5779 5.6437 5.6437 6.3483 6.3483 7.0536 7.0536 7.1846 7.1846 8.9515 8.9515 9.4195 9.4195 9.8903 9.8903 11.2547 11.2547 11.6094 11.6094 k = 0.3125-0.1212-0.0923 ( 4886 PWs) bands (ev): -6.3941 -6.3941 -4.8962 -4.8962 -3.0235 -3.0235 -2.3681 -2.3681 -2.0297 -2.0297 -1.2862 -1.2862 -0.0787 -0.0787 0.3644 0.3644 0.3851 0.3851 0.8875 0.8875 1.6126 1.6126 2.3993 2.3993 2.6985 2.6985 2.7889 2.7889 3.9329 3.9329 4.0085 4.0085 4.3023 4.3023 4.7584 4.7584 5.1290 5.1290 5.5488 5.5488 5.5571 5.5571 6.3162 6.3162 7.0495 7.0495 7.1191 7.1191 8.9009 8.9009 9.3575 9.3575 9.9148 9.9148 11.3708 11.3708 11.5190 11.5190 k = 0.3281-0.1272-0.0969 ( 4886 PWs) bands (ev): -6.3577 -6.3577 -4.9601 -4.9601 -3.0305 -3.0305 -2.3692 -2.3692 -2.0144 -2.0144 -1.3105 -1.3105 -0.1070 -0.1070 0.3698 0.3698 0.4042 0.4042 0.9188 0.9188 1.7033 1.7033 2.4262 2.4262 2.7073 2.7073 2.7956 2.7956 3.9279 3.9279 4.0824 4.0824 4.3105 4.3105 4.7255 4.7255 5.1149 5.1149 5.4529 5.4529 5.5488 5.5488 6.2800 6.2800 7.0435 7.0435 7.0505 7.0505 8.8529 8.8529 9.2953 9.2953 9.9395 9.9395 11.4314 11.4314 11.4719 11.4719 k = 0.3438-0.1333-0.1015 ( 4882 PWs) bands (ev): -6.3203 -6.3203 -5.0232 -5.0232 -3.0367 -3.0367 -2.3703 -2.3703 -2.0006 -2.0006 -1.3323 -1.3323 -0.1342 -0.1342 0.3534 0.3534 0.4449 0.4449 0.9512 0.9512 1.7977 1.7977 2.4133 2.4133 2.7553 2.7553 2.7905 2.7905 3.9373 3.9373 4.1304 4.1304 4.3035 4.3035 4.7366 4.7366 5.0870 5.0870 5.3568 5.3568 5.5539 5.5539 6.2392 6.2392 6.9773 6.9773 7.0380 7.0380 8.8078 8.8078 9.2339 9.2339 9.9646 9.9646 11.3477 11.3477 11.5494 11.5494 k = 0.3594-0.1394-0.1062 ( 4882 PWs) bands (ev): -6.2821 -6.2821 -5.0851 -5.0851 -3.0423 -3.0423 -2.3712 -2.3712 -1.9885 -1.9885 -1.3515 -1.3515 -0.1598 -0.1598 0.3367 0.3367 0.4857 0.4857 0.9843 0.9843 1.8933 1.8933 2.3785 2.3785 2.7752 2.7752 2.8272 2.8272 3.9600 3.9600 4.1097 4.1097 4.3317 4.3317 4.7815 4.7815 5.0471 5.0471 5.2631 5.2631 5.5695 5.5695 6.1936 6.1936 6.9032 6.9032 7.0305 7.0305 8.7659 8.7659 9.1744 9.1744 9.9899 9.9899 11.2683 11.2683 11.5983 11.5983 k = 0.3750-0.1454-0.1108 ( 4890 PWs) bands (ev): -6.2435 -6.2435 -5.1453 -5.1453 -3.0472 -3.0472 -2.3720 -2.3720 -1.9780 -1.9780 -1.3682 -1.3682 -0.1833 -0.1833 0.3206 0.3206 0.5255 0.5255 1.0178 1.0178 1.9849 1.9849 2.3409 2.3409 2.7523 2.7523 2.9082 2.9082 3.9941 3.9941 4.0352 4.0352 4.3922 4.3922 4.8443 4.8443 4.9984 4.9984 5.1751 5.1751 5.5923 5.5923 6.1430 6.1430 6.8282 6.8282 7.0221 7.0221 8.7276 8.7276 9.1178 9.1178 10.0152 10.0152 11.1937 11.1937 11.6226 11.6226 k = 0.3906-0.1515-0.1154 ( 4896 PWs) bands (ev): -6.2048 -6.2048 -5.2032 -5.2032 -3.0515 -3.0515 -2.3727 -2.3727 -1.9692 -1.9692 -1.3824 -1.3824 -0.2045 -0.2045 0.3056 0.3056 0.5636 0.5636 1.0511 1.0511 2.0589 2.0589 2.3206 2.3206 2.7245 2.7245 2.9904 2.9904 3.9421 3.9421 4.0375 4.0375 4.4548 4.4548 4.9137 4.9137 4.9436 4.9436 5.0993 5.0993 5.6190 5.6190 6.0877 6.0877 6.7537 6.7537 7.0132 7.0132 8.6932 8.6932 9.0651 9.0651 10.0402 10.0402 11.1246 11.1246 11.6313 11.6313 k = 0.4062-0.1575-0.1200 ( 4893 PWs) bands (ev): -6.1667 -6.1667 -5.2582 -5.2582 -3.0551 -3.0551 -2.3732 -2.3732 -1.9619 -1.9619 -1.3942 -1.3942 -0.2232 -0.2232 0.2921 0.2921 0.5991 0.5991 1.0838 1.0838 2.0891 2.0891 2.3470 2.3470 2.6944 2.6944 3.0679 3.0679 3.8452 3.8452 4.0878 4.0878 4.5038 4.5038 4.8842 4.8842 4.9718 4.9718 5.0565 5.0565 5.6469 5.6469 6.0280 6.0280 6.6814 6.6814 7.0040 7.0040 8.6629 8.6629 9.0173 9.0173 10.0647 10.0647 11.0616 11.0616 11.6319 11.6319 k = 0.4219-0.1636-0.1246 ( 4895 PWs) bands (ev): -6.1300 -6.1300 -5.3093 -5.3093 -3.0581 -3.0581 -2.3737 -2.3737 -1.9561 -1.9561 -1.4039 -1.4039 -0.2392 -0.2392 0.2802 0.2802 0.6311 0.6311 1.1152 1.1152 2.0747 2.0747 2.4225 2.4225 2.6647 2.6647 3.1337 3.1337 3.7535 3.7535 4.1434 4.1434 4.5269 4.5269 4.8223 4.8223 4.9760 4.9760 5.0951 5.0951 5.6741 5.6741 5.9649 5.9649 6.6131 6.6131 6.9949 6.9949 8.6369 8.6369 8.9752 8.9752 10.0879 10.0879 11.0054 11.0054 11.6288 11.6288 k = 0.4375-0.1696-0.1292 ( 4897 PWs) bands (ev): -6.0959 -6.0959 -5.3553 -5.3553 -3.0605 -3.0605 -2.3740 -2.3740 -1.9516 -1.9516 -1.4114 -1.4114 -0.2524 -0.2524 0.2703 0.2703 0.6588 0.6588 1.1441 1.1441 2.0435 2.0435 2.5209 2.5209 2.6374 2.6374 3.1767 3.1767 3.6775 3.6775 4.2024 4.2024 4.5187 4.5187 4.7589 4.7589 4.9784 4.9784 5.1658 5.1658 5.6987 5.6987 5.8995 5.8995 6.5512 6.5512 6.9864 6.9864 8.6154 8.6154 8.9397 8.9397 10.1092 10.1092 10.9569 10.9569 11.6245 11.6245 k = 0.4531-0.1757-0.1339 ( 4892 PWs) bands (ev): -6.0658 -6.0658 -5.3947 -5.3947 -3.0624 -3.0624 -2.3743 -2.3743 -1.9483 -1.9483 -1.4171 -1.4171 -0.2627 -0.2627 0.2625 0.2625 0.6814 0.6814 1.1692 1.1692 2.0111 2.0111 2.6129 2.6129 2.6286 2.6286 3.1814 3.1814 3.6308 3.6308 4.2633 4.2633 4.4880 4.4880 4.6951 4.6951 4.9988 4.9988 5.2372 5.2372 5.7195 5.7195 5.8343 5.8343 6.4983 6.4983 6.9790 6.9790 8.5986 8.5986 8.9114 8.9114 10.1275 10.1275 10.9174 10.9174 11.6203 11.6203 k = 0.4688-0.1818-0.1385 ( 4891 PWs) bands (ev): -6.0418 -6.0418 -5.4254 -5.4254 -3.0637 -3.0637 -2.3745 -2.3745 -1.9461 -1.9461 -1.4210 -1.4210 -0.2701 -0.2701 0.2568 0.2568 0.6981 0.6981 1.1888 1.1888 1.9845 1.9845 2.5962 2.5962 2.7357 2.7357 3.1411 3.1411 3.6173 3.6173 4.3235 4.3235 4.4512 4.4512 4.6330 4.6330 5.0250 5.0250 5.3019 5.3019 5.7352 5.7352 5.7738 5.7738 6.4574 6.4574 6.9733 6.9733 8.5865 8.5865 8.8907 8.8907 10.1418 10.1418 10.8878 10.8878 11.6170 11.6170 k = 0.4844-0.1878-0.1431 ( 4888 PWs) bands (ev): -6.0261 -6.0261 -5.4450 -5.4450 -3.0645 -3.0645 -2.3746 -2.3746 -1.9448 -1.9448 -1.4233 -1.4233 -0.2746 -0.2746 0.2534 0.2534 0.7084 0.7084 1.2015 1.2015 1.9671 1.9671 2.5853 2.5853 2.8390 2.8390 3.0701 3.0701 3.6217 3.6217 4.3773 4.3773 4.4226 4.4226 4.5782 4.5782 5.0455 5.0455 5.3512 5.3512 5.7265 5.7265 5.7451 5.7451 6.4314 6.4314 6.9697 6.9697 8.5793 8.5793 8.8782 8.8782 10.1510 10.1510 10.8695 10.8695 11.6149 11.6149 k = 0.5000-0.1939-0.1477 ( 4888 PWs) bands (ev): -6.0206 -6.0206 -5.4519 -5.4519 -3.0648 -3.0648 -2.3746 -2.3746 -1.9443 -1.9443 -1.4241 -1.4241 -0.2761 -0.2761 0.2523 0.2523 0.7119 0.7119 1.2059 1.2059 1.9611 1.9611 2.5815 2.5815 2.9036 2.9036 3.0148 3.0148 3.6256 3.6256 4.4039 4.4039 4.4119 4.4119 4.5513 4.5513 5.0531 5.0531 5.3708 5.3708 5.7076 5.7076 5.7484 5.7484 6.4224 6.4224 6.9684 6.9684 8.5768 8.5768 8.8740 8.8740 10.1541 10.1541 10.8633 10.8633 11.6141 11.6141 k = 0.5000-0.1939-0.1477 ( 4888 PWs) bands (ev): -6.0206 -6.0206 -5.4519 -5.4519 -3.0648 -3.0648 -2.3746 -2.3746 -1.9443 -1.9443 -1.4241 -1.4241 -0.2761 -0.2761 0.2523 0.2523 0.7119 0.7119 1.2059 1.2059 1.9611 1.9611 2.5815 2.5815 2.9036 2.9036 3.0148 3.0148 3.6256 3.6256 4.4039 4.4039 4.4119 4.4119 4.5513 4.5513 5.0531 5.0531 5.3708 5.3708 5.7076 5.7076 5.7484 5.7484 6.4224 6.4224 6.9684 6.9684 8.5768 8.5768 8.8740 8.8740 10.1541 10.1541 10.8633 10.8633 11.6141 11.6141 k = 0.5000-0.1832-0.1618 ( 4888 PWs) bands (ev): -6.0200 -6.0200 -5.4510 -5.4510 -3.0753 -3.0753 -2.3640 -2.3640 -1.9491 -1.9491 -1.4258 -1.4258 -0.2683 -0.2683 0.2542 0.2542 0.7090 0.7090 1.2024 1.2024 1.9674 1.9674 2.5849 2.5849 2.9033 2.9033 3.0137 3.0137 3.6257 3.6257 4.3989 4.3989 4.4112 4.4112 4.5456 4.5456 5.0543 5.0543 5.3753 5.3753 5.7086 5.7086 5.7396 5.7396 6.4292 6.4292 6.9671 6.9671 8.5776 8.5776 8.8730 8.8730 10.1575 10.1575 10.8674 10.8674 11.6083 11.6083 k = 0.5000-0.1724-0.1759 ( 4894 PWs) bands (ev): -6.0179 -6.0179 -5.4484 -5.4484 -3.1051 -3.1051 -2.3339 -2.3339 -1.9633 -1.9633 -1.4309 -1.4309 -0.2452 -0.2452 0.2600 0.2600 0.7006 0.7006 1.1921 1.1921 1.9862 1.9862 2.5942 2.5942 2.9028 2.9028 3.0106 3.0106 3.6259 3.6259 4.3844 4.3844 4.4089 4.4089 4.5292 4.5292 5.0576 5.0576 5.3875 5.3875 5.7114 5.7114 5.7158 5.7158 6.4483 6.4483 6.9634 6.9634 8.5798 8.5798 8.8703 8.8703 10.1673 10.1673 10.8787 10.8787 11.5916 11.5916 k = 0.5000-0.1617-0.1900 ( 4908 PWs) bands (ev): -6.0146 -6.0146 -5.4441 -5.4441 -3.1498 -3.1498 -2.2888 -2.2888 -1.9864 -1.9864 -1.4389 -1.4389 -0.2080 -0.2080 0.2696 0.2696 0.6875 0.6875 1.1757 1.1757 2.0166 2.0166 2.6080 2.6080 2.9029 2.9029 3.0052 3.0052 3.6264 3.6264 4.3624 4.3624 4.4038 4.4038 4.5042 4.5042 5.0626 5.0626 5.4028 5.4028 5.6816 5.6816 5.7165 5.7165 6.4773 6.4773 6.9572 6.9572 8.5831 8.5831 8.8662 8.8662 10.1834 10.1834 10.8952 10.8952 11.5662 11.5662 k = 0.5000-0.1510-0.2041 ( 4904 PWs) bands (ev): -6.0098 -6.0098 -5.4381 -5.4381 -3.2048 -3.2048 -2.2333 -2.2333 -2.0173 -2.0173 -1.4491 -1.4491 -0.1582 -0.1582 0.2832 0.2832 0.6709 0.6709 1.1540 1.1540 2.0576 2.0576 2.6233 2.6233 2.9050 2.9050 2.9974 2.9974 3.6273 3.6273 4.3351 4.3351 4.3929 4.3929 4.4755 4.4755 5.0686 5.0686 5.4116 5.4116 5.6491 5.6491 5.7222 5.7222 6.5134 6.5134 6.9487 6.9487 8.5872 8.5872 8.8614 8.8614 10.2049 10.2049 10.9132 10.9132 11.5357 11.5357 k = 0.5000-0.1402-0.2181 ( 4902 PWs) bands (ev): -6.0038 -6.0038 -5.4305 -5.4305 -3.2665 -3.2665 -2.1713 -2.1713 -2.0552 -2.0552 -1.4612 -1.4612 -0.0978 -0.0978 0.3006 0.3006 0.6522 0.6522 1.1281 1.1281 2.1080 2.1080 2.6357 2.6357 2.9118 2.9118 2.9867 2.9867 3.6287 3.6287 4.3052 4.3052 4.3696 4.3696 4.4513 4.4513 5.0750 5.0750 5.3994 5.3994 5.6330 5.6330 5.7285 5.7285 6.5545 6.5545 6.9382 6.9382 8.5916 8.5916 8.8566 8.8566 10.2310 10.2310 10.9270 10.9270 11.5051 11.5051 k = 0.5000-0.1295-0.2322 ( 4908 PWs) bands (ev): -5.9965 -5.9965 -5.4213 -5.4213 -3.3323 -3.3323 -2.1059 -2.1059 -2.0983 -2.0983 -1.4748 -1.4748 -0.0287 -0.0287 0.3221 0.3221 0.6330 0.6330 1.0991 1.0991 2.1665 2.1665 2.6404 2.6404 2.9262 2.9262 2.9728 2.9728 3.6312 3.6312 4.2748 4.2748 4.3306 4.3306 4.4367 4.4367 5.0814 5.0814 5.3588 5.3588 5.6410 5.6410 5.7346 5.7346 6.5991 6.5991 6.9258 6.9258 8.5959 8.5959 8.8528 8.8528 10.2603 10.2603 10.9299 10.9299 11.4802 11.4802 k = 0.5000-0.1188-0.2463 ( 4906 PWs) bands (ev): -5.9879 -5.9879 -5.4105 -5.4105 -3.4002 -3.4002 -2.1466 -2.1466 -2.0380 -2.0380 -1.4896 -1.4896 0.0469 0.0469 0.3475 0.3475 0.6150 0.6150 1.0683 1.0683 2.2318 2.2318 2.6333 2.6333 2.9491 2.9491 2.9562 2.9562 3.6351 3.6351 4.2460 4.2460 4.2809 4.2809 4.4284 4.4284 5.0874 5.0874 5.2975 5.2975 5.6652 5.6652 5.7403 5.7403 6.6468 6.6468 6.9115 6.9115 8.5998 8.5998 8.8506 8.8506 10.2911 10.2911 10.9157 10.9157 11.4655 11.4655 k = 0.5000-0.1080-0.2604 ( 4902 PWs) bands (ev): -5.9781 -5.9781 -5.3982 -5.3982 -3.4690 -3.4690 -2.1977 -2.1977 -1.9704 -1.9704 -1.5056 -1.5056 0.1264 0.1264 0.3770 0.3770 0.6008 0.6008 1.0369 1.0369 2.3026 2.3026 2.6129 2.6129 2.9327 2.9327 2.9837 2.9837 3.6411 3.6411 4.2195 4.2195 4.2270 4.2270 4.4225 4.4225 5.0929 5.0929 5.2256 5.2256 5.6953 5.6953 5.7453 5.7453 6.6971 6.6971 6.8953 6.8953 8.6031 8.6031 8.8509 8.8509 10.3215 10.3215 10.8818 10.8818 11.4617 11.4617 k = 0.5000-0.0973-0.2745 ( 4896 PWs) bands (ev): -5.9671 -5.9671 -5.3845 -5.3845 -3.5379 -3.5379 -2.2510 -2.2510 -1.9038 -1.9038 -1.5229 -1.5229 0.2062 0.2062 0.4103 0.4103 0.5936 0.5936 1.0058 1.0058 2.3778 2.3778 2.5797 2.5797 2.9058 2.9058 3.0234 3.0234 3.6501 3.6501 4.1692 4.1692 4.1992 4.1992 4.4173 4.4173 5.0976 5.0976 5.1490 5.1490 5.7254 5.7254 5.7495 5.7495 6.7502 6.7502 6.8772 6.8772 8.6056 8.6056 8.8544 8.8544 10.3494 10.3494 10.8299 10.8299 11.4648 11.4648 k = 0.5000-0.0866-0.2886 ( 4898 PWs) bands (ev): -5.9550 -5.9550 -5.3696 -5.3696 -3.6061 -3.6061 -2.3056 -2.3056 -1.8391 -1.8391 -1.5414 -1.5414 0.2802 0.2802 0.4473 0.4473 0.5994 0.5994 0.9763 0.9763 2.4556 2.4556 2.5348 2.5348 2.8738 2.8738 3.0670 3.0670 3.6629 3.6629 4.1134 4.1134 4.1821 4.1821 4.4121 4.4121 5.0712 5.0712 5.1016 5.1016 5.7510 5.7510 5.7542 5.7542 6.8058 6.8058 6.8571 6.8571 8.6077 8.6077 8.8613 8.8613 10.3729 10.3729 10.7644 10.7644 11.4685 11.4685 k = 0.5000-0.0758-0.3027 ( 4890 PWs) bands (ev): -5.9419 -5.9419 -5.3536 -5.3536 -3.6730 -3.6730 -2.3607 -2.3607 -1.7772 -1.7772 -1.5613 -1.5613 0.3392 0.3392 0.4877 0.4877 0.6271 0.6271 0.9495 0.9495 2.4791 2.4791 2.5339 2.5339 2.8377 2.8377 3.1114 3.1114 3.6804 3.6804 4.0600 4.0600 4.1699 4.1699 4.4066 4.4066 4.9946 4.9946 5.1047 5.1047 5.7563 5.7563 5.7736 5.7736 6.8344 6.8344 6.8642 6.8642 8.6096 8.6096 8.8722 8.8722 10.3902 10.3902 10.6897 10.6897 11.4673 11.4673 k = 0.5000-0.0651-0.3168 ( 4884 PWs) bands (ev): -5.9277 -5.9277 -5.3366 -5.3366 -3.7381 -3.7381 -2.4156 -2.4156 -1.7188 -1.7188 -1.5826 -1.5826 0.3765 0.3765 0.5308 0.5308 0.6833 0.6833 0.9270 0.9270 2.4144 2.4144 2.6043 2.6043 2.8039 2.8039 3.1543 3.1543 3.7034 3.7034 4.0105 4.0105 4.1625 4.1625 4.4005 4.4005 4.9212 4.9212 5.1068 5.1068 5.7599 5.7599 5.7882 5.7882 6.8096 6.8096 6.9241 6.9241 8.6119 8.6119 8.8871 8.8871 10.4005 10.4005 10.6094 10.6094 11.4575 11.4575 k = 0.5000-0.0544-0.3308 ( 4884 PWs) bands (ev): -5.9126 -5.9126 -5.3188 -5.3188 -3.8010 -3.8010 -2.4699 -2.4699 -1.6645 -1.6645 -1.6052 -1.6052 0.3957 0.3957 0.5751 0.5751 0.7641 0.7641 0.9107 0.9107 2.3413 2.3413 2.6385 2.6385 2.7998 2.7998 3.1935 3.1935 3.7323 3.7323 3.9662 3.9662 4.1598 4.1598 4.3940 4.3940 4.8524 4.8524 5.1080 5.1080 5.7640 5.7640 5.7955 5.7955 6.7822 6.7822 6.9853 6.9853 8.6151 8.6151 8.9060 8.9060 10.4036 10.4036 10.5263 10.5263 11.4380 11.4380 k = 0.5000-0.0436-0.3449 ( 4892 PWs) bands (ev): -5.8967 -5.8967 -5.3006 -5.3006 -3.8611 -3.8611 -2.5229 -2.5229 -1.6293 -1.6293 -1.6147 -1.6147 0.4055 0.4055 0.6183 0.6183 0.8606 0.8606 0.9034 0.9034 2.2608 2.2608 2.6081 2.6081 2.8529 2.8529 3.2276 3.2276 3.7669 3.7669 3.9277 3.9277 4.1617 4.1617 4.3869 4.3869 4.7900 4.7900 5.1082 5.1082 5.7690 5.7690 5.7954 5.7954 6.7522 6.7522 7.0468 7.0468 8.6200 8.6200 8.9288 8.9288 10.4001 10.4001 10.4425 10.4425 11.4089 11.4089 k = 0.5000-0.0329-0.3590 ( 4886 PWs) bands (ev): -5.8800 -5.8800 -5.2822 -5.2822 -3.9181 -3.9181 -2.5744 -2.5744 -1.6546 -1.6546 -1.5701 -1.5701 0.4122 0.4122 0.6564 0.6564 0.9092 0.9092 0.9665 0.9665 2.1740 2.1740 2.5440 2.5440 2.9319 2.9319 3.2554 3.2554 3.8063 3.8063 3.8957 3.8957 4.1684 4.1684 4.3795 4.3795 4.7351 4.7351 5.1075 5.1075 5.7752 5.7752 5.7877 5.7877 6.7196 6.7196 7.1072 7.1072 8.6276 8.6276 8.9550 8.9550 10.3591 10.3591 10.3915 10.3915 11.3713 11.3713 k = 0.5000-0.0222-0.3731 ( 4874 PWs) bands (ev): -5.8627 -5.8627 -5.2639 -5.2639 -3.9715 -3.9715 -2.6238 -2.6238 -1.6812 -1.6812 -1.5307 -1.5307 0.4189 0.4189 0.6855 0.6855 0.9324 0.9324 1.0777 1.0777 2.0817 2.0817 2.4649 2.4649 3.0176 3.0176 3.2764 3.2764 3.8484 3.8484 3.8707 3.8707 4.1805 4.1805 4.3720 4.3720 4.6891 4.6891 5.1058 5.1058 5.7724 5.7724 5.7832 5.7832 6.6848 6.6848 7.1652 7.1652 8.6387 8.6387 8.9842 8.9842 10.2779 10.2779 10.3786 10.3786 11.3266 11.3266 k = 0.5000-0.0114-0.3872 ( 4874 PWs) bands (ev): -5.8448 -5.8448 -5.2463 -5.2463 -4.0206 -4.0206 -2.6710 -2.6710 -1.7090 -1.7090 -1.4969 -1.4969 0.4274 0.4274 0.7044 0.7044 0.9737 0.9737 1.1925 1.1925 1.9852 1.9852 2.3762 2.3762 3.1047 3.1047 3.2904 3.2904 3.8502 3.8502 3.8932 3.8932 4.1993 4.1993 4.3647 4.3647 4.6529 4.6529 5.1031 5.1031 5.7503 5.7503 5.7923 5.7923 6.6481 6.6481 7.2193 7.2193 8.6541 8.6541 9.0158 9.0158 10.1996 10.1996 10.3633 10.3633 11.2762 11.2762 k = 0.5000-0.0007-0.4013 ( 4878 PWs) bands (ev): -5.8264 -5.8264 -5.2297 -5.2297 -4.0650 -4.0650 -2.7156 -2.7156 -1.7378 -1.7378 -1.4689 -1.4689 0.4384 0.4384 0.7161 0.7161 1.0294 1.0294 1.3094 1.3094 1.8857 1.8857 2.2801 2.2801 3.1909 3.1909 3.2974 3.2974 3.8372 3.8372 3.9348 3.9348 4.2264 4.2264 4.3583 4.3583 4.6270 4.6270 5.0995 5.0995 5.7213 5.7213 5.8030 5.8030 6.6100 6.6100 7.2681 7.2681 8.6745 8.6745 9.0492 9.0492 10.1249 10.1249 10.3469 10.3469 11.2214 11.2214 k = 0.5000 0.0100-0.4154 ( 4882 PWs) bands (ev): -5.8077 -5.8077 -5.2149 -5.2149 -4.1039 -4.1039 -2.7573 -2.7573 -1.7675 -1.7675 -1.4465 -1.4465 0.4523 0.4523 0.7248 0.7248 1.0942 1.0942 1.4272 1.4272 1.7850 1.7850 2.1786 2.1786 3.2744 3.2744 3.2979 3.2979 3.8299 3.8299 3.9730 3.9730 4.2630 4.2630 4.3535 4.3535 4.6113 4.6113 5.0949 5.0949 5.6860 5.6860 5.8148 5.8148 6.5713 6.5713 7.3104 7.3104 8.7006 8.7006 9.0835 9.0835 10.0545 10.0545 10.3308 10.3308 11.1633 11.1633 k = 0.5000 0.0208-0.4295 ( 4888 PWs) bands (ev): -5.7888 -5.7888 -5.2023 -5.2023 -4.1367 -4.1367 -2.7960 -2.7960 -1.7979 -1.7979 -1.4297 -1.4297 0.4692 0.4692 0.7328 0.7328 1.1627 1.1627 1.5442 1.5442 1.6861 1.6861 2.0737 2.0737 3.2919 3.2919 3.3537 3.3537 3.8280 3.8280 4.0070 4.0070 4.3093 4.3093 4.3511 4.3511 4.6053 4.6053 5.0893 5.0893 5.6447 5.6447 5.8275 5.8275 6.5330 6.5330 7.3452 7.3452 8.7323 8.7323 9.1181 9.1181 9.9890 9.9890 10.3158 10.3158 11.1028 11.1028 k = 0.5000 0.0315-0.4435 ( 4886 PWs) bands (ev): -5.7698 -5.7698 -5.1925 -5.1925 -4.1628 -4.1628 -2.8314 -2.8314 -1.8289 -1.8289 -1.4182 -1.4182 0.4890 0.4890 0.7413 0.7413 1.2269 1.2269 1.5959 1.5959 1.6567 1.6567 1.9701 1.9701 3.2807 3.2807 3.4268 3.4268 3.8314 3.8314 4.0380 4.0380 4.3522 4.3522 4.3640 4.3640 4.6082 4.6082 5.0826 5.0826 5.5980 5.5980 5.8404 5.8404 6.4962 6.4962 7.3719 7.3719 8.7693 8.7693 9.1521 9.1521 9.9288 9.9288 10.3029 10.3029 11.0405 11.0405 k = 0.5000 0.0422-0.4576 ( 4890 PWs) bands (ev): -5.7509 -5.7509 -5.1863 -5.1863 -4.1815 -4.1815 -2.8633 -2.8633 -1.8603 -1.8603 -1.4119 -1.4119 0.5116 0.5116 0.7501 0.7501 1.2665 1.2665 1.5350 1.5350 1.7371 1.7371 1.8950 1.8950 3.2651 3.2651 3.4921 3.4921 3.8397 3.8397 4.0677 4.0677 4.3583 4.3583 4.4250 4.4250 4.6189 4.6189 5.0747 5.0747 5.5462 5.5462 5.8528 5.8528 6.4624 6.4624 7.3904 7.3904 8.8107 8.8107 9.1847 9.1847 9.8743 9.8743 10.2928 10.2928 10.9772 10.9772 k = 0.5000 0.0530-0.4717 ( 4894 PWs) bands (ev): -5.7320 -5.7320 -5.1839 -5.1839 -4.1923 -4.1923 -2.8915 -2.8915 -1.8919 -1.8919 -1.4104 -1.4104 0.5366 0.5366 0.7574 0.7574 1.2482 1.2482 1.5378 1.5378 1.6919 1.6919 1.9428 1.9428 3.2466 3.2466 3.5483 3.5483 3.8522 3.8522 4.0977 4.0977 4.3707 4.3707 4.4902 4.4902 4.6364 4.6364 5.0656 5.0656 5.4900 5.4900 5.8638 5.8638 6.4331 6.4331 7.4006 7.4006 8.8554 8.8554 9.2151 9.2151 9.8258 9.8258 10.2860 10.2860 10.9134 10.9134 k = 0.5000 0.0637-0.4858 ( 4904 PWs) bands (ev): -5.7135 -5.7135 -5.1857 -5.1857 -4.1951 -4.1951 -2.9160 -2.9160 -1.9236 -1.9236 -1.4133 -1.4133 0.5635 0.5635 0.7590 0.7590 1.1862 1.1862 1.5862 1.5862 1.5950 1.5950 2.0476 2.0476 3.2265 3.2265 3.5948 3.5948 3.8675 3.8675 4.1291 4.1291 4.3904 4.3904 4.5579 4.5579 4.6599 4.6599 5.0552 5.0552 5.4299 5.4299 5.8725 5.8725 6.4100 6.4100 7.4029 7.4029 8.9015 8.9015 9.2424 9.2424 9.7836 9.7836 10.2829 10.2829 10.8495 10.8495 k = 0.5000 0.0744-0.4999 ( 4896 PWs) bands (ev): -5.6954 -5.6954 -5.1918 -5.1918 -4.1896 -4.1896 -2.9364 -2.9364 -1.9552 -1.9552 -1.4203 -1.4203 0.5911 0.5911 0.7468 0.7468 1.1210 1.1210 1.4752 1.4752 1.6697 1.6697 2.1584 2.1584 3.2064 3.2064 3.6323 3.6323 3.8840 3.8840 4.1624 4.1624 4.4177 4.4177 4.6262 4.6262 4.6889 4.6889 5.0438 5.0438 5.3665 5.3665 5.8783 5.8783 6.3944 6.3944 7.3981 7.3981 8.9471 8.9471 9.2661 9.2661 9.7478 9.7478 10.2839 10.2839 10.7860 10.7860 k = 0.5000 0.0852-0.5140 ( 4898 PWs) bands (ev): -5.6778 -5.6778 -5.2018 -5.2018 -4.1760 -4.1760 -2.9528 -2.9528 -1.9865 -1.9865 -1.4310 -1.4310 0.6180 0.6180 0.7096 0.7096 1.0768 1.0768 1.3637 1.3637 1.7513 1.7513 2.2681 2.2681 3.1880 3.1880 3.6623 3.6623 3.9001 3.9001 4.1976 4.1976 4.4518 4.4518 4.6922 4.6922 4.7247 4.7247 5.0319 5.0319 5.3007 5.3007 5.8809 5.8809 6.3875 6.3875 7.3866 7.3866 8.9903 8.9903 9.2853 9.2853 9.7186 9.7186 10.2890 10.2890 10.7233 10.7233 k = 0.5000 0.0959-0.5281 ( 4902 PWs) bands (ev): -5.6609 -5.6609 -5.2154 -5.2154 -4.1549 -4.1549 -2.9649 -2.9649 -2.0174 -2.0174 -1.4450 -1.4450 0.6406 0.6406 0.6434 0.6434 1.0625 1.0625 1.2578 1.2578 1.8331 1.8331 2.3742 2.3742 3.1728 3.1728 3.6863 3.6863 3.9155 3.9155 4.2345 4.2345 4.4902 4.4902 4.7460 4.7460 4.7758 4.7758 5.0206 5.0206 5.2334 5.2334 5.8807 5.8807 6.3896 6.3896 7.3691 7.3691 9.0291 9.0291 9.2995 9.2995 9.6962 9.6962 10.2980 10.2980 10.6617 10.6617 k = 0.5000 0.1066-0.5422 ( 4902 PWs) bands (ev): -5.6448 -5.6448 -5.2322 -5.2322 -4.1266 -4.1266 -2.9728 -2.9728 -2.0477 -2.0477 -1.4621 -1.4621 0.5545 0.5545 0.6538 0.6538 1.0724 1.0724 1.1641 1.1641 1.9119 1.9119 2.4751 2.4751 3.1626 3.1626 3.7050 3.7050 3.9311 3.9311 4.2726 4.2726 4.5294 4.5294 4.7887 4.7887 4.8393 4.8393 5.0116 5.0116 5.1661 5.1661 5.8787 5.8787 6.4001 6.4001 7.3463 7.3463 9.0619 9.0619 9.3083 9.3083 9.6804 9.6804 10.3106 10.3106 10.6016 10.6016 k = 0.5000 0.1173-0.5562 ( 4908 PWs) bands (ev): -5.6294 -5.6294 -5.2514 -5.2514 -4.0918 -4.0918 -2.9763 -2.9763 -2.0774 -2.0774 -1.4820 -1.4820 0.4535 0.4535 0.6466 0.6466 1.0928 1.0928 1.0985 1.0985 1.9852 1.9852 2.5693 2.5693 3.1590 3.1590 3.7184 3.7184 3.9491 3.9491 4.3109 4.3109 4.5647 4.5647 4.8309 4.8309 4.9024 4.9024 5.0077 5.0077 5.1019 5.1019 5.8763 5.8763 6.4181 6.4181 7.3188 7.3188 9.0875 9.0875 9.3115 9.3115 9.6713 9.6713 10.3255 10.3255 10.5434 10.5434 k = 0.7098 0.2610-0.0346 ( 4908 PWs) bands (ev): -5.6294 -5.6294 -5.2514 -5.2514 -4.0918 -4.0918 -2.9763 -2.9763 -2.0774 -2.0774 -1.4820 -1.4820 0.4535 0.4535 0.6466 0.6466 1.0928 1.0928 1.0985 1.0985 1.9852 1.9852 2.5693 2.5693 3.1590 3.1590 3.7184 3.7184 3.9491 3.9491 4.3109 4.3109 4.5647 4.5647 4.8309 4.8309 4.9024 4.9024 5.0078 5.0078 5.1019 5.1019 5.8763 5.8763 6.4181 6.4181 7.3188 7.3188 9.0875 9.0875 9.3115 9.3115 9.6713 9.6713 10.3255 10.3255 10.5434 10.5434 k = 0.6998 0.2649-0.0205 ( 4908 PWs) bands (ev): -5.6151 -5.6151 -5.2725 -5.2725 -4.0512 -4.0512 -2.9755 -2.9755 -2.1062 -2.1062 -1.5043 -1.5043 0.3465 0.3465 0.6082 0.6082 1.0571 1.0571 1.1330 1.1330 2.0510 2.0510 2.6555 2.6555 3.1635 3.1635 3.7254 3.7254 3.9724 3.9724 4.3481 4.3481 4.5916 4.5916 4.8730 4.8730 4.9545 4.9545 5.0120 5.0120 5.0519 5.0519 5.8749 5.8749 6.4423 6.4423 7.2869 7.2869 9.1053 9.1053 9.3089 9.3089 9.6687 9.6687 10.3415 10.3415 10.4874 10.4874 k = 0.6898 0.2688-0.0064 ( 4900 PWs) bands (ev): -5.6017 -5.6017 -5.2949 -5.2949 -4.0053 -4.0053 -2.9703 -2.9703 -2.1341 -2.1341 -1.5291 -1.5291 0.2370 0.2370 0.5379 0.5379 1.0562 1.0562 1.1746 1.1746 2.1075 2.1075 2.7325 2.7325 3.1771 3.1771 3.7253 3.7253 4.0032 4.0032 4.3817 4.3817 4.6067 4.6067 4.9040 4.9040 4.9638 4.9638 5.0268 5.0268 5.0609 5.0609 5.8759 5.8759 6.4714 6.4714 7.2512 7.2512 9.1152 9.1152 9.3008 9.3008 9.6724 9.6724 10.3568 10.3568 10.4339 10.4339 k = 0.6798 0.2727 0.0076 ( 4898 PWs) bands (ev): -5.5893 -5.5893 -5.3180 -5.3180 -3.9546 -3.9546 -2.9609 -2.9609 -2.1609 -2.1609 -1.5561 -1.5561 0.1269 0.1269 0.4460 0.4460 1.0804 1.0804 1.2211 1.2211 2.1537 2.1537 2.7995 2.7995 3.2001 3.2001 3.7173 3.7173 4.0428 4.0428 4.4085 4.4085 4.6098 4.6098 4.8856 4.8856 4.9886 4.9886 5.0521 5.0521 5.1124 5.1124 5.8801 5.8801 6.5042 6.5042 7.2120 7.2120 9.1176 9.1176 9.2873 9.2873 9.6821 9.6821 10.3695 10.3695 10.3832 10.3832 k = 0.6699 0.2765 0.0217 ( 4910 PWs) bands (ev): -5.5780 -5.5780 -5.3415 -5.3415 -3.8996 -3.8996 -2.9473 -2.9473 -2.1865 -2.1865 -1.5854 -1.5854 0.0176 0.0176 0.3425 0.3425 1.1200 1.1200 1.2713 1.2713 2.1893 2.1893 2.8559 2.8559 3.2321 3.2321 3.7017 3.7017 4.0909 4.0909 4.4232 4.4232 4.6036 4.6036 4.8538 4.8538 5.0360 5.0360 5.0853 5.0853 5.1689 5.1689 5.8882 5.8882 6.5397 6.5397 7.1697 7.1697 9.1132 9.1132 9.2688 9.2688 9.6976 9.6976 10.3353 10.3353 10.3779 10.3779 k = 0.6599 0.2804 0.0358 ( 4910 PWs) bands (ev): -5.5678 -5.5678 -5.3649 -5.3649 -3.8407 -3.8407 -2.9296 -2.9296 -2.2109 -2.2109 -1.6170 -1.6170 -0.0898 -0.0898 0.2337 0.2337 1.1692 1.1692 1.3246 1.3246 2.2147 2.2147 2.9018 2.9018 3.2714 3.2714 3.6789 3.6789 4.1459 4.1459 4.4208 4.4208 4.5925 4.5925 4.8372 4.8372 5.0885 5.0885 5.1231 5.1231 5.2245 5.2245 5.9006 5.9006 6.5769 6.5769 7.1244 7.1244 9.1030 9.1030 9.2460 9.2460 9.7186 9.7186 10.2907 10.2907 10.3807 10.3807 k = 0.6499 0.2843 0.0498 ( 4912 PWs) bands (ev): -5.5586 -5.5586 -5.3880 -5.3880 -3.7784 -3.7784 -2.9081 -2.9081 -2.2339 -2.2339 -1.6511 -1.6511 -0.1945 -0.1945 0.1226 0.1226 1.2247 1.2247 1.3805 1.3805 2.2312 2.2312 2.9375 2.9375 3.3155 3.3155 3.6495 3.6495 4.2049 4.2049 4.4002 4.4002 4.5814 4.5814 4.8412 4.8412 5.1435 5.1435 5.1621 5.1621 5.2782 5.2782 5.9172 5.9172 6.6151 6.6151 7.0766 7.0766 9.0882 9.0882 9.2193 9.2193 9.7448 9.7448 10.2495 10.2495 10.3768 10.3768 k = 0.6399 0.2882 0.0639 ( 4920 PWs) bands (ev): -5.5504 -5.5504 -5.4104 -5.4104 -3.7128 -3.7128 -2.8830 -2.8830 -2.2553 -2.2553 -1.6878 -1.6878 -0.2956 -0.2956 0.0114 0.0114 1.2849 1.2849 1.4383 1.4383 2.2404 2.2404 2.9636 2.9636 3.3609 3.3609 3.6140 3.6140 4.2632 4.2632 4.3662 4.3662 4.5762 4.5762 4.8629 4.8629 5.1978 5.1978 5.2026 5.2026 5.3296 5.3296 5.9379 5.9379 6.6534 6.6534 7.0264 7.0264 9.0697 9.0697 9.1895 9.1895 9.7758 9.7758 10.2119 10.2119 10.3661 10.3661 k = 0.6299 0.2920 0.0780 ( 4912 PWs) bands (ev): -5.5433 -5.5433 -5.4319 -5.4319 -3.6444 -3.6444 -2.8547 -2.8547 -2.2751 -2.2751 -1.7275 -1.7275 -0.3925 -0.3925 -0.0988 -0.0988 1.3488 1.3488 1.4978 1.4978 2.2438 2.2438 2.9808 2.9808 3.4039 3.4039 3.5734 3.5734 4.3135 4.3135 4.3265 4.3265 4.5841 4.5841 4.8969 4.8969 5.2347 5.2347 5.2590 5.2590 5.3789 5.3789 5.9621 5.9621 6.6912 6.6912 6.9740 6.9740 9.0487 9.0487 9.1573 9.1573 9.8112 9.8112 10.1782 10.1782 10.3486 10.3486 k = 0.6199 0.2959 0.0920 ( 4914 PWs) bands (ev): -5.5370 -5.5370 -5.4524 -5.4524 -3.5732 -3.5732 -2.8235 -2.8235 -2.2931 -2.2931 -1.7704 -1.7704 -0.4844 -0.4844 -0.2071 -0.2071 1.4157 1.4157 1.5586 1.5586 2.2430 2.2430 2.9896 2.9896 3.4402 3.4402 3.5289 3.5289 4.2880 4.2880 4.3481 4.3481 4.6123 4.6123 4.9382 4.9382 5.2667 5.2667 5.3167 5.3167 5.4269 5.4269 5.9893 5.9893 6.7279 6.7279 6.9197 6.9197 9.0261 9.0261 9.1235 9.1235 9.8503 9.8503 10.1487 10.1487 10.3249 10.3249 k = 0.6099 0.2998 0.1061 ( 4912 PWs) bands (ev): -5.5316 -5.5316 -5.4717 -5.4717 -3.4996 -3.4996 -2.7901 -2.7901 -2.3092 -2.3092 -1.8168 -1.8168 -0.5705 -0.5705 -0.3127 -0.3127 1.4851 1.4851 1.6201 1.6201 2.2393 2.2393 2.9903 2.9903 3.4646 3.4646 3.4831 3.4831 4.2565 4.2565 4.3649 4.3649 4.6617 4.6617 4.9835 4.9835 5.2946 5.2946 5.3724 5.3724 5.4751 5.4751 6.0187 6.0187 6.7628 6.7628 6.8638 6.8638 9.0028 9.0028 9.0888 9.0888 9.8920 9.8920 10.1244 10.1244 10.2958 10.2958 k = 0.5999 0.3036 0.1202 ( 4914 PWs) bands (ev): -5.5270 -5.5270 -5.4896 -5.4896 -3.4238 -3.4238 -2.7551 -2.7551 -2.3230 -2.3230 -1.8673 -1.8673 -0.6502 -0.6502 -0.4148 -0.4148 1.5567 1.5567 1.6819 1.6819 2.2337 2.2337 2.9824 2.9824 3.4331 3.4331 3.4787 3.4787 4.2360 4.2360 4.3697 4.3697 4.7254 4.7254 5.0308 5.0308 5.3184 5.3184 5.4231 5.4231 5.5261 5.5261 6.0493 6.0493 6.7953 6.7953 6.8065 6.8065 8.9794 8.9794 9.0542 9.0542 9.9341 9.9341 10.1069 10.1069 10.2623 10.2623 k = 0.5899 0.3075 0.1342 ( 4922 PWs) bands (ev): -5.5232 -5.5232 -5.5060 -5.5060 -3.3460 -3.3460 -2.7193 -2.7193 -2.3343 -2.3343 -1.9218 -1.9218 -0.7228 -0.7228 -0.5128 -0.5128 1.6301 1.6301 1.7433 1.7433 2.2272 2.2272 2.9655 2.9655 3.3876 3.3876 3.4745 3.4745 4.2281 4.2281 4.3685 4.3685 4.7958 4.7958 5.0786 5.0786 5.3381 5.3381 5.4660 5.4660 5.5821 5.5821 6.0802 6.0802 6.7480 6.7480 6.8252 6.8252 8.9566 8.9566 9.0204 9.0204 9.9713 9.9713 10.1012 10.1012 10.2256 10.2256 k = 0.5799 0.3114 0.1483 ( 4930 PWs) bands (ev): -5.5210 -5.5210 -5.5199 -5.5199 -3.2664 -3.2664 -2.6837 -2.6837 -2.3428 -2.3428 -1.9808 -1.9808 -0.7879 -0.7879 -0.6058 -0.6058 1.7049 1.7049 1.8037 1.8037 2.2205 2.2205 2.9387 2.9387 3.3460 3.3460 3.4560 3.4560 4.2321 4.2321 4.3650 4.3650 4.8678 4.8678 5.1257 5.1257 5.3538 5.3538 5.5003 5.5003 5.6433 5.6433 6.1106 6.1106 6.6886 6.6886 6.8519 6.8519 8.9349 8.9349 8.9880 8.9880 9.9940 9.9940 10.1162 10.1162 10.1871 10.1871 k = 0.5699 0.3153 0.1624 ( 4930 PWs) bands (ev): -5.5343 -5.5343 -5.5174 -5.5174 -3.1852 -3.1852 -2.6498 -2.6498 -2.3479 -2.3479 -2.0441 -2.0441 -0.8452 -0.8452 -0.6929 -0.6929 1.7807 1.7807 1.8620 1.8620 2.2142 2.2142 2.9016 2.9016 3.3104 3.3104 3.4261 3.4261 4.2453 4.2453 4.3610 4.3610 4.9383 4.9383 5.1713 5.1713 5.3657 5.3657 5.5272 5.5272 5.7082 5.7082 6.1395 6.1395 6.6285 6.6285 6.8753 6.8753 8.9147 8.9147 8.9580 8.9580 9.9995 9.9995 10.1481 10.1481 10.1538 10.1538 k = 0.5599 0.3191 0.1764 ( 4936 PWs) bands (ev): -5.5460 -5.5460 -5.5152 -5.5152 -3.1027 -3.1027 -2.6189 -2.6189 -2.3493 -2.3493 -2.1117 -2.1117 -0.8946 -0.8946 -0.7729 -0.7729 1.8570 1.8570 1.9171 1.9171 2.2088 2.2088 2.8548 2.8548 3.2818 3.2818 3.3888 3.3888 4.2639 4.2639 4.3572 4.3572 5.0051 5.0051 5.2143 5.2143 5.3737 5.3737 5.5477 5.5477 5.7751 5.7751 6.1662 6.1662 6.5679 6.5679 6.8952 6.8952 8.8964 8.8964 8.9308 8.9308 9.9969 9.9969 10.1102 10.1102 10.2036 10.2036 k = 0.5500 0.3230 0.1905 ( 4932 PWs) bands (ev): -5.5559 -5.5559 -5.5136 -5.5136 -3.0191 -3.0191 -2.5924 -2.5924 -2.3467 -2.3467 -2.1831 -2.1831 -0.9359 -0.9359 -0.8447 -0.8447 1.9332 1.9332 1.9675 1.9675 2.2049 2.2049 2.8001 2.8001 3.2598 3.2598 3.3484 3.3484 4.2846 4.2846 4.3538 4.3538 5.0668 5.0668 5.2539 5.2539 5.3779 5.3779 5.5628 5.5628 5.8426 5.8426 6.1899 6.1899 6.5071 6.5071 6.9116 6.9116 8.8802 8.8802 8.9071 8.9071 9.9925 9.9925 10.0747 10.0747 10.2580 10.2580 k = 0.5400 0.3269 0.2046 ( 4926 PWs) bands (ev): -5.5641 -5.5641 -5.5123 -5.5123 -2.9349 -2.9349 -2.5714 -2.5714 -2.3406 -2.3406 -2.2579 -2.2579 -0.9694 -0.9694 -0.9067 -0.9067 2.0079 2.0079 2.0114 2.0114 2.2030 2.2030 2.7403 2.7403 3.2436 3.2436 3.3088 3.3088 4.3046 4.3046 4.3512 4.3512 5.1219 5.1219 5.2890 5.2890 5.3786 5.3786 5.5733 5.5733 5.9097 5.9097 6.2102 6.2102 6.4463 6.4463 6.9246 6.9246 8.8661 8.8661 8.8875 8.8875 9.9883 9.9883 10.0432 10.0432 10.3123 10.3123 k = 0.5300 0.3308 0.2186 ( 4922 PWs) bands (ev): -5.5705 -5.5705 -5.5113 -5.5113 -2.8505 -2.8505 -2.5563 -2.5563 -2.3353 -2.3353 -2.3323 -2.3323 -0.9954 -0.9954 -0.9572 -0.9572 2.0464 2.0464 2.0793 2.0793 2.2036 2.2036 2.6788 2.6788 3.2318 3.2318 3.2736 3.2736 4.3220 4.3220 4.3491 4.3491 5.1693 5.1693 5.3182 5.3182 5.3759 5.3759 5.5798 5.5798 5.9754 5.9754 6.2265 6.2265 6.3861 6.3861 6.9344 6.9344 8.8545 8.8545 8.8725 8.8725 9.9850 9.9850 10.0170 10.0170 10.3629 10.3629 k = 0.5200 0.3346 0.2327 ( 4920 PWs) bands (ev): -5.5750 -5.5750 -5.5107 -5.5107 -2.7669 -2.7669 -2.5463 -2.5463 -2.4141 -2.4141 -2.3238 -2.3238 -1.0143 -1.0143 -0.9942 -0.9942 2.0713 2.0713 2.1432 2.1432 2.2062 2.2062 2.6210 2.6210 3.2233 3.2233 3.2464 3.2464 4.3352 4.3352 4.3478 4.3478 5.2072 5.2072 5.3398 5.3398 5.3714 5.3714 5.5834 5.5834 6.0381 6.0381 6.2383 6.2383 6.3275 6.3275 6.9412 6.9412 8.8455 8.8455 8.8620 8.8620 9.9828 9.9828 9.9974 9.9974 10.4051 10.4051 k = 0.5100 0.3385 0.2468 ( 4908 PWs) bands (ev): -5.5778 -5.5778 -5.5103 -5.5103 -2.6874 -2.6874 -2.5409 -2.5409 -2.4908 -2.4908 -2.3176 -2.3176 -1.0272 -1.0272 -1.0155 -1.0155 2.0855 2.0855 2.1916 2.1916 2.2093 2.2093 2.5760 2.5760 3.2164 3.2164 3.2308 3.2308 4.3432 4.3432 4.3473 4.3473 5.2331 5.2331 5.3508 5.3508 5.3685 5.3685 5.5850 5.5850 6.0933 6.0933 6.2456 6.2456 6.2749 6.2749 6.9452 6.9452 8.8398 8.8398 8.8559 8.8559 9.9814 9.9814 9.9852 9.9852 10.4337 10.4337 k = 0.5000 0.3424 0.2608 ( 4900 PWs) bands (ev): -5.5787 -5.5787 -5.5102 -5.5102 -2.6381 -2.6381 -2.5397 -2.5397 -2.5385 -2.5385 -2.3153 -2.3153 -1.0325 -1.0325 -1.0217 -1.0217 2.0901 2.0901 2.2102 2.2102 2.2113 2.2113 2.5580 2.5580 3.2130 3.2130 3.2266 3.2266 4.3452 4.3452 4.3479 4.3479 5.2426 5.2426 5.3523 5.3523 5.3690 5.3690 5.5854 5.5854 6.1211 6.1211 6.2479 6.2479 6.2481 6.2481 6.9465 6.9465 8.8378 8.8378 8.8539 8.8539 9.9807 9.9807 9.9814 9.9814 10.4439 10.4439 k = 0.5000 0.3424 0.2608 ( 4900 PWs) bands (ev): -5.5787 -5.5787 -5.5102 -5.5102 -2.6381 -2.6381 -2.5397 -2.5397 -2.5385 -2.5385 -2.3153 -2.3153 -1.0325 -1.0325 -1.0217 -1.0217 2.0901 2.0901 2.2102 2.2102 2.2113 2.2113 2.5580 2.5580 3.2130 3.2130 3.2266 3.2266 4.3452 4.3452 4.3479 4.3479 5.2426 5.2426 5.3523 5.3523 5.3690 5.3690 5.5854 5.5854 6.1211 6.1211 6.2479 6.2479 6.2481 6.2481 6.9465 6.9465 8.8378 8.8378 8.8539 8.8539 9.9807 9.9807 9.9814 9.9814 10.4439 10.4439 k = 0.4868 0.3334 0.2540 ( 4906 PWs) bands (ev): -5.6095 -5.6095 -5.4790 -5.4790 -2.6389 -2.6389 -2.5396 -2.5396 -2.5383 -2.5383 -2.3123 -2.3123 -1.0311 -1.0311 -1.0203 -1.0203 2.0682 2.0682 2.2011 2.2011 2.2023 2.2023 2.5818 2.5818 3.2182 3.2182 3.2319 3.2319 4.3475 4.3475 4.3501 4.3501 5.2310 5.2310 5.3544 5.3544 5.3711 5.3711 5.5845 5.5845 6.1266 6.1266 6.2429 6.2429 6.2432 6.2432 6.9436 6.9436 8.8418 8.8418 8.8578 8.8578 9.9799 9.9799 9.9805 9.9805 10.4470 10.4470 k = 0.4737 0.3244 0.2471 ( 4918 PWs) bands (ev): -5.6598 -5.6598 -5.4275 -5.4275 -2.6412 -2.6412 -2.5390 -2.5390 -2.5378 -2.5378 -2.3035 -2.3035 -1.0268 -1.0268 -1.0160 -1.0160 2.0124 2.0124 2.1749 2.1749 2.1762 2.1762 2.6433 2.6433 3.2330 3.2330 3.2466 3.2466 4.3546 4.3546 4.3571 4.3571 5.1975 5.1975 5.3607 5.3607 5.3773 5.3773 5.5818 5.5818 6.1419 6.1419 6.2283 6.2283 6.2286 6.2286 6.9351 6.9351 8.8533 8.8533 8.8694 8.8694 9.9774 9.9774 9.9781 9.9781 10.4562 10.4562 k = 0.4605 0.3154 0.2402 ( 4925 PWs) bands (ev): -5.7124 -5.7124 -5.3730 -5.3730 -2.6446 -2.6446 -2.5381 -2.5381 -2.5369 -2.5369 -2.2892 -2.2892 -1.0197 -1.0197 -1.0089 -1.0089 1.9387 1.9387 2.1338 2.1338 2.1352 2.1352 2.7265 2.7265 3.2543 3.2543 3.2680 3.2680 4.3671 4.3671 4.3695 4.3695 5.1451 5.1451 5.3709 5.3709 5.3874 5.3874 5.5774 5.5774 6.1630 6.1630 6.2045 6.2045 6.2048 6.2048 6.9221 6.9221 8.8721 8.8721 8.8881 8.8881 9.9734 9.9734 9.9740 9.9740 10.4716 10.4716 k = 0.4474 0.3064 0.2334 ( 4922 PWs) bands (ev): -5.7651 -5.7651 -5.3176 -5.3176 -2.6489 -2.6489 -2.5369 -2.5369 -2.5356 -2.5356 -2.2697 -2.2697 -1.0098 -1.0098 -0.9990 -0.9990 1.8573 1.8573 2.0806 2.0806 2.0823 2.0823 2.8213 2.8213 3.2785 3.2785 3.2923 3.2923 4.3861 4.3861 4.3884 4.3884 5.0776 5.0776 5.3849 5.3849 5.4011 5.4011 5.5713 5.5713 6.1717 6.1717 6.1726 6.1726 6.1854 6.1854 6.9063 6.9063 8.8974 8.8974 8.9133 8.9133 9.9678 9.9678 9.9685 9.9685 10.4930 10.4930 k = 0.4342 0.2973 0.2265 ( 4937 PWs) bands (ev): -5.8175 -5.8175 -5.2618 -5.2618 -2.6536 -2.6536 -2.5352 -2.5352 -2.5339 -2.5339 -2.2456 -2.2456 -0.9971 -0.9971 -0.9863 -0.9863 1.7730 1.7730 2.0184 2.0184 2.0202 2.0202 2.9224 2.9224 3.3017 3.3017 3.3156 3.3156 4.4129 4.4129 4.4149 4.4149 4.9983 4.9983 5.4022 5.4022 5.4182 5.4182 5.5636 5.5636 6.1321 6.1321 6.1330 6.1330 6.2029 6.2029 6.8902 6.8902 8.9283 8.9283 8.9441 8.9441 9.9608 9.9608 9.9616 9.9616 10.5204 10.5204 k = 0.4211 0.2883 0.2197 ( 4937 PWs) bands (ev): -5.8691 -5.8691 -5.2060 -5.2060 -2.6584 -2.6584 -2.5332 -2.5332 -2.5318 -2.5318 -2.2173 -2.2173 -0.9817 -0.9817 -0.9710 -0.9710 1.6885 1.6885 1.9495 1.9495 1.9515 1.9515 3.0274 3.0274 3.3206 3.3206 3.3346 3.3346 4.4483 4.4483 4.4502 4.4502 4.9102 4.9102 5.4225 5.4225 5.4382 5.4382 5.5543 5.5543 6.0859 6.0859 6.0870 6.0870 6.2111 6.2111 6.8767 6.8767 8.9638 8.9638 8.9794 8.9794 9.9525 9.9525 9.9534 9.9534 10.5538 10.5538 k = 0.4079 0.2793 0.2128 ( 4937 PWs) bands (ev): -5.9200 -5.9200 -5.1503 -5.1503 -2.6630 -2.6630 -2.5308 -2.5308 -2.5294 -2.5294 -2.1852 -2.1852 -0.9636 -0.9636 -0.9530 -0.9530 1.6052 1.6052 1.8760 1.8760 1.8781 1.8781 3.1344 3.1344 3.3327 3.3327 3.3468 3.3468 4.4931 4.4931 4.4950 4.4950 4.8153 4.8153 5.4452 5.4452 5.4605 5.4605 5.5436 5.5436 6.0347 6.0347 6.0360 6.0360 6.2057 6.2057 6.8689 6.8689 9.0027 9.0027 9.0182 9.0182 9.9432 9.9432 9.9442 9.9442 10.5929 10.5929 k = 0.3947 0.2703 0.2059 ( 4925 PWs) bands (ev): -5.9699 -5.9699 -5.0948 -5.0948 -2.6673 -2.6673 -2.5279 -2.5279 -2.5264 -2.5264 -2.1495 -2.1495 -0.9430 -0.9430 -0.9324 -0.9324 1.5241 1.5241 1.7994 1.7994 1.8016 1.8016 3.2422 3.2422 3.3367 3.3367 3.3507 3.3507 4.5476 4.5476 4.5494 4.5494 4.7154 4.7154 5.4696 5.4696 5.4845 5.4845 5.5315 5.5315 5.9798 5.9798 5.9814 5.9814 6.1840 6.1840 6.8689 6.8689 9.0441 9.0441 9.0595 9.0595 9.9330 9.9330 9.9342 9.9342 10.6377 10.6377 k = 0.3816 0.2613 0.1991 ( 4925 PWs) bands (ev): -6.0188 -6.0188 -5.0398 -5.0398 -2.6711 -2.6711 -2.5246 -2.5246 -2.5231 -2.5231 -2.1106 -2.1106 -0.9199 -0.9199 -0.9093 -0.9093 1.4457 1.4457 1.7210 1.7210 1.7233 1.7233 3.3285 3.3285 3.3455 3.3455 3.3531 3.3531 4.6107 4.6107 4.6124 4.6124 4.6130 4.6130 5.4947 5.4947 5.5090 5.5090 5.5182 5.5182 5.9231 5.9231 5.9251 5.9251 6.1457 6.1457 6.8770 6.8770 9.0869 9.0869 9.1022 9.1022 9.9222 9.9222 9.9236 9.9236 10.6880 10.6880 k = 0.3684 0.2523 0.1922 ( 4907 PWs) bands (ev): -6.0666 -6.0666 -4.9852 -4.9852 -2.6745 -2.6745 -2.5208 -2.5208 -2.5192 -2.5192 -2.0685 -2.0685 -0.8944 -0.8944 -0.8839 -0.8839 1.3705 1.3705 1.6417 1.6417 1.6441 1.6441 3.3162 3.3162 3.3313 3.3313 3.4580 3.4580 4.5060 4.5060 4.6830 4.6830 4.6849 4.6849 5.5039 5.5039 5.5190 5.5190 5.5325 5.5325 5.8668 5.8668 5.8695 5.8695 6.0920 6.0920 6.8923 6.8923 9.1303 9.1303 9.1453 9.1453 9.9111 9.9111 9.9128 9.9128 10.7436 10.7436 k = 0.3553 0.2433 0.1853 ( 4907 PWs) bands (ev): -6.1132 -6.1132 -4.9312 -4.9312 -2.6774 -2.6774 -2.5166 -2.5166 -2.5150 -2.5150 -2.0237 -2.0237 -0.8666 -0.8666 -0.8562 -0.8562 1.2990 1.2990 1.5622 1.5622 1.5647 1.5647 3.2937 3.2937 3.3087 3.3087 3.5621 3.5621 4.3993 4.3993 4.7617 4.7617 4.7637 4.7637 5.4886 5.4886 5.5393 5.5393 5.5515 5.5515 5.8149 5.8149 5.8187 5.8187 6.0256 6.0256 6.9128 6.9128 9.1734 9.1734 9.1881 9.1881 9.9000 9.9000 9.9020 9.9020 10.8045 10.8045 k = 0.3421 0.2343 0.1785 ( 4913 PWs) bands (ev): -6.1586 -6.1586 -4.8778 -4.8778 -2.6799 -2.6799 -2.5119 -2.5119 -2.5102 -2.5102 -1.9761 -1.9761 -0.8367 -0.8367 -0.8264 -0.8264 1.2315 1.2315 1.4833 1.4833 1.4858 1.4858 3.2634 3.2634 3.2784 3.2784 3.6613 3.6613 4.2938 4.2938 4.8458 4.8458 4.8481 4.8481 5.4725 5.4725 5.5494 5.5494 5.5593 5.5593 5.7744 5.7744 5.7801 5.7801 5.9494 5.9494 6.9367 6.9367 9.2153 9.2153 9.2298 9.2298 9.8893 9.8893 9.8916 9.8916 10.8705 10.8705 k = 0.3289 0.2253 0.1716 ( 4910 PWs) bands (ev): -6.2027 -6.2027 -4.8252 -4.8252 -2.6821 -2.6821 -2.5067 -2.5067 -2.5049 -2.5049 -1.9260 -1.9260 -0.8048 -0.8048 -0.7946 -0.7946 1.1682 1.1682 1.4054 1.4054 1.4079 1.4079 3.2263 3.2263 3.2412 3.2412 3.7507 3.7507 4.1939 4.1939 4.9336 4.9336 4.9362 4.9362 5.4558 5.4558 5.5401 5.5401 5.5470 5.5470 5.7554 5.7554 5.7638 5.7638 5.8665 5.8665 6.9624 6.9624 9.2556 9.2556 9.2698 9.2698 9.8792 9.8792 9.8820 9.8820 10.9413 10.9413 k = 0.3158 0.2162 0.1647 ( 4910 PWs) bands (ev): -6.2454 -6.2454 -4.7734 -4.7734 -2.6842 -2.6842 -2.5010 -2.5010 -2.4992 -2.4992 -1.8736 -1.8736 -0.7711 -0.7711 -0.7610 -0.7610 1.1096 1.1096 1.3290 1.3290 1.3316 1.3316 3.1831 3.1831 3.1980 3.1980 3.8160 3.8160 4.1130 4.1130 5.0230 5.0230 5.0260 5.0260 5.4385 5.4385 5.5093 5.5093 5.5140 5.5140 5.7612 5.7612 5.7716 5.7716 5.7797 5.7797 6.9889 6.9889 9.2936 9.2936 9.3073 9.3073 9.8702 9.8702 9.8735 9.8735 11.0168 11.0168 k = 0.3026 0.2072 0.1579 ( 4898 PWs) bands (ev): -6.2868 -6.2868 -4.7225 -4.7225 -2.6862 -2.6862 -2.4949 -2.4949 -2.4930 -2.4930 -1.8189 -1.8189 -0.7358 -0.7358 -0.7258 -0.7258 1.0558 1.0558 1.2546 1.2546 1.2572 1.2572 3.1345 3.1345 3.1493 3.1493 3.8209 3.8209 4.0858 4.0858 5.1110 5.1110 5.1145 5.1145 5.4208 5.4208 5.4673 5.4673 5.4707 5.4707 5.6917 5.6917 5.7845 5.7845 5.7953 5.7953 7.0155 7.0155 9.3288 9.3288 9.3420 9.3420 9.8626 9.8626 9.8665 9.8665 11.0968 11.0968 k = 0.2895 0.1982 0.1510 ( 4886 PWs) bands (ev): -6.3267 -6.3267 -4.6726 -4.6726 -2.6884 -2.6884 -2.4883 -2.4883 -2.4863 -2.4863 -1.7622 -1.7622 -0.6990 -0.6990 -0.6891 -0.6891 1.0071 1.0071 1.1825 1.1825 1.1851 1.1851 3.0811 3.0811 3.0960 3.0960 3.7555 3.7555 4.1204 4.1204 5.1901 5.1901 5.1943 5.1943 5.4029 5.4029 5.4280 5.4280 5.4308 5.4308 5.6065 5.6065 5.8173 5.8173 5.8281 5.8281 7.0417 7.0417 9.3609 9.3609 9.3735 9.3735 9.8567 9.8567 9.8614 9.8614 11.1018 11.1018 k = 0.2763 0.1892 0.1441 ( 4892 PWs) bands (ev): -6.3650 -6.3650 -4.6237 -4.6237 -2.6909 -2.6909 -2.4813 -2.4813 -2.4792 -2.4792 -1.7037 -1.7037 -0.6611 -0.6611 -0.6513 -0.6513 0.9636 0.9636 1.1131 1.1131 1.1157 1.1157 3.0237 3.0237 3.0385 3.0385 3.6604 3.6604 4.1733 4.1733 5.2381 5.2381 5.2429 5.2429 5.3849 5.3849 5.4168 5.4168 5.4196 5.4196 5.5276 5.5276 5.8564 5.8564 5.8667 5.8667 7.0674 7.0674 9.3895 9.3895 9.4014 9.4014 9.8529 9.8529 9.8584 9.8584 11.0990 11.0990 k = 0.2632 0.1802 0.1373 ( 4910 PWs) bands (ev): -6.4019 -6.4019 -4.5759 -4.5759 -2.6939 -2.6939 -2.4738 -2.4738 -2.4717 -2.4717 -1.6435 -1.6435 -0.6223 -0.6223 -0.6126 -0.6126 0.9257 0.9257 1.0468 1.0468 1.0494 1.0494 2.9625 2.9625 2.9773 2.9773 3.5562 3.5562 4.2198 4.2198 5.2295 5.2295 5.2340 5.2340 5.3669 5.3669 5.4593 5.4593 5.4604 5.4604 5.4636 5.4636 5.9005 5.9005 5.9100 5.9100 7.0926 7.0926 9.4146 9.4146 9.4256 9.4256 9.8512 9.8512 9.8577 9.8577 11.0938 11.0938 k = 0.2500 0.1712 0.1304 ( 4922 PWs) bands (ev): -6.4371 -6.4371 -4.5292 -4.5292 -2.6974 -2.6974 -2.4660 -2.4660 -2.4638 -2.4638 -1.5820 -1.5820 -0.5830 -0.5830 -0.5734 -0.5734 0.8933 0.8933 0.9841 0.9841 0.9868 0.9868 2.8982 2.8982 2.9129 2.9129 3.4495 3.4495 4.2492 4.2492 5.1901 5.1901 5.1943 5.1943 5.3490 5.3490 5.4087 5.4087 5.5305 5.5305 5.5357 5.5357 5.9496 5.9496 5.9580 5.9580 7.1173 7.1173 9.4361 9.4361 9.4462 9.4462 9.8518 9.8518 9.8593 9.8593 11.0859 11.0859 k = 0.2368 0.1622 0.1236 ( 4919 PWs) bands (ev): -6.4708 -6.4708 -4.4838 -4.4838 -2.7016 -2.7016 -2.4578 -2.4578 -2.4556 -2.4556 -1.5193 -1.5193 -0.5435 -0.5435 -0.5341 -0.5341 0.8667 0.8667 0.9254 0.9254 0.9281 0.9281 2.8311 2.8311 2.8458 2.8458 3.3425 3.3425 4.2555 4.2555 5.1428 5.1428 5.1470 5.1470 5.3314 5.3314 5.3782 5.3782 5.6052 5.6052 5.6118 5.6118 6.0041 6.0041 6.0112 6.0112 7.1418 7.1418 9.4543 9.4543 9.4635 9.4635 9.8545 9.8545 9.8632 9.8632 11.0748 11.0748 k = 0.2237 0.1532 0.1167 ( 4916 PWs) bands (ev): -6.5028 -6.5028 -4.4396 -4.4396 -2.7067 -2.7067 -2.4494 -2.4494 -2.4470 -2.4470 -1.4558 -1.4558 -0.5042 -0.5042 -0.4950 -0.4950 0.8459 0.8459 0.8712 0.8712 0.8739 0.8739 2.7617 2.7617 2.7763 2.7763 3.2364 3.2364 4.2358 4.2358 5.0944 5.0944 5.0985 5.0985 5.3142 5.3142 5.3707 5.3707 5.6761 5.6761 5.6840 5.6840 6.0644 6.0644 6.0701 6.0701 7.1662 7.1662 9.4695 9.4695 9.4778 9.4778 9.8591 9.8591 9.8688 9.8688 11.0605 11.0605 k = 0.2105 0.1442 0.1098 ( 4913 PWs) bands (ev): -6.5331 -6.5331 -4.3967 -4.3967 -2.7127 -2.7127 -2.4406 -2.4406 -2.4383 -2.4383 -1.3917 -1.3917 -0.4659 -0.4659 -0.4568 -0.4568 0.8217 0.8217 0.8248 0.8248 0.8314 0.8314 2.6902 2.6902 2.7049 2.7049 3.1321 3.1321 4.1916 4.1916 5.0469 5.0469 5.0512 5.0512 5.2974 5.2974 5.3845 5.3845 5.7404 5.7404 5.7495 5.7495 6.1305 6.1305 6.1348 6.1348 7.1908 7.1908 9.4823 9.4823 9.4896 9.4896 9.8651 9.8651 9.8760 9.8760 11.0429 11.0429 k = 0.1974 0.1352 0.1030 ( 4916 PWs) bands (ev): -6.5617 -6.5617 -4.3553 -4.3553 -2.7197 -2.7197 -2.4318 -2.4318 -2.4293 -2.4293 -1.3274 -1.3274 -0.4289 -0.4289 -0.4201 -0.4201 0.7784 0.7784 0.7814 0.7814 0.8220 0.8220 2.6173 2.6173 2.6319 2.6319 3.0301 3.0301 4.1270 4.1270 5.0015 5.0015 5.0059 5.0059 5.2811 5.2811 5.4156 5.4156 5.7971 5.7971 5.8074 5.8074 6.2017 6.2017 6.2048 6.2048 7.2157 7.2157 9.4932 9.4932 9.4996 9.4996 9.8722 9.8722 9.8840 9.8840 11.0219 11.0219 k = 0.1842 0.1261 0.0961 ( 4898 PWs) bands (ev): -6.5886 -6.5886 -4.3154 -4.3154 -2.7275 -2.7275 -2.4228 -2.4228 -2.4203 -2.4203 -1.2633 -1.2633 -0.3940 -0.3940 -0.3854 -0.3854 0.7412 0.7412 0.7442 0.7442 0.8185 0.8185 2.5432 2.5432 2.5578 2.5578 2.9309 2.9309 4.0472 4.0472 4.9586 4.9586 4.9631 4.9631 5.2655 5.2655 5.4587 5.4587 5.8468 5.8468 5.8578 5.8578 6.2765 6.2765 6.2787 6.2787 7.2413 7.2413 9.5027 9.5027 9.5084 9.5084 9.8798 9.8798 9.8925 9.8925 10.9978 10.9978 k = 0.1711 0.1171 0.0892 ( 4895 PWs) bands (ev): -6.6137 -6.6137 -4.2770 -4.2770 -2.7363 -2.7363 -2.4138 -2.4138 -2.4112 -2.4112 -1.1997 -1.1997 -0.3619 -0.3619 -0.3535 -0.3535 0.7108 0.7108 0.7139 0.7139 0.8204 0.8204 2.4684 2.4684 2.4830 2.4830 2.8350 2.8350 3.9572 3.9572 4.9184 4.9184 4.9231 4.9231 5.2507 5.2507 5.5090 5.5090 5.8902 5.8902 5.9018 5.9018 6.3531 6.3531 6.3546 6.3546 7.2676 7.2676 9.5114 9.5114 9.5165 9.5165 9.8874 9.8874 9.9010 9.9010 10.9708 10.9708 k = 0.1579 0.1081 0.0824 ( 4886 PWs) bands (ev): -6.6370 -6.6370 -4.2404 -4.2404 -2.7459 -2.7459 -2.4049 -2.4049 -2.4022 -2.4022 -1.1373 -1.1373 -0.3332 -0.3332 -0.3252 -0.3252 0.6879 0.6879 0.6911 0.6911 0.8274 0.8274 2.3933 2.3933 2.4079 2.4079 2.7431 2.7431 3.8610 3.8610 4.8811 4.8811 4.8859 4.8859 5.2366 5.2366 5.5627 5.5627 5.9283 5.9283 5.9402 5.9402 6.4298 6.4298 6.4307 6.4307 7.2946 7.2946 9.5198 9.5198 9.5242 9.5242 9.8948 9.8948 9.9091 9.9091 10.9414 10.9414 k = 0.1447 0.0991 0.0755 ( 4886 PWs) bands (ev): -6.6586 -6.6586 -4.2056 -4.2056 -2.7562 -2.7562 -2.3961 -2.3961 -2.3934 -2.3934 -1.0764 -1.0764 -0.3086 -0.3086 -0.3008 -0.3008 0.6729 0.6729 0.6762 0.6762 0.8391 0.8391 2.3185 2.3185 2.3331 2.3331 2.6554 2.6554 3.7618 3.7618 4.8468 4.8468 4.8517 4.8517 5.2235 5.2235 5.6169 5.6169 5.9618 5.9618 5.9740 5.9740 6.5049 6.5049 6.5054 6.5054 7.3223 7.3223 9.5281 9.5281 9.5321 9.5321 9.9015 9.9015 9.9165 9.9165 10.9100 10.9100 k = 0.1316 0.0901 0.0686 ( 4883 PWs) bands (ev): -6.6783 -6.6783 -4.1727 -4.1727 -2.7669 -2.7669 -2.3876 -2.3876 -2.3849 -2.3849 -1.0177 -1.0177 -0.2884 -0.2884 -0.2809 -0.2809 0.6659 0.6659 0.6694 0.6694 0.8549 0.8549 2.2445 2.2445 2.2592 2.2592 2.5728 2.5728 3.6621 3.6621 4.8155 4.8155 4.8205 4.8205 5.2112 5.2112 5.6696 5.6696 5.9915 5.9915 6.0038 6.0038 6.5771 6.5771 6.5774 6.5774 7.3506 7.3506 9.5367 9.5367 9.5402 9.5402 9.9073 9.9073 9.9230 9.9230 10.8775 10.8775 k = 0.1184 0.0811 0.0618 ( 4895 PWs) bands (ev): -6.6962 -6.6962 -4.1421 -4.1421 -2.7779 -2.7779 -2.3795 -2.3795 -2.3768 -2.3768 -0.9616 -0.9616 -0.2727 -0.2727 -0.2656 -0.2656 0.6667 0.6667 0.6704 0.6704 0.8742 0.8742 2.1718 2.1718 2.1867 2.1867 2.4956 2.4956 3.5640 3.5640 4.7872 4.7872 4.7924 4.7924 5.2000 5.2000 5.7194 5.7194 6.0178 6.0178 6.0301 6.0301 6.6454 6.6454 6.6455 6.6455 7.3791 7.3791 9.5457 9.5457 9.5487 9.5487 9.9121 9.9121 9.9284 9.9284 10.8443 10.8443 k = 0.1053 0.0721 0.0549 ( 4898 PWs) bands (ev): -6.7123 -6.7123 -4.1138 -4.1138 -2.7890 -2.7890 -2.3719 -2.3719 -2.3691 -2.3691 -0.9088 -0.9088 -0.2614 -0.2614 -0.2546 -0.2546 0.6748 0.6748 0.6786 0.6786 0.8961 0.8961 2.1014 2.1014 2.1163 2.1163 2.4245 2.4245 3.4694 3.4694 4.7619 4.7619 4.7672 4.7672 5.1898 5.1898 5.7652 5.7652 6.0408 6.0408 6.0532 6.0532 6.7086 6.7086 6.7087 6.7087 7.4074 7.4074 9.5549 9.5549 9.5575 9.5575 9.9159 9.9159 9.9327 9.9327 10.8114 10.8114 k = 0.0921 0.0631 0.0480 ( 4910 PWs) bands (ev): -6.7265 -6.7265 -4.0881 -4.0881 -2.7998 -2.7998 -2.3649 -2.3649 -2.3620 -2.3620 -0.8600 -0.8600 -0.2539 -0.2539 -0.2475 -0.2475 0.6891 0.6891 0.6929 0.6929 0.9197 0.9197 2.0340 2.0340 2.0491 2.0491 2.3602 2.3602 3.3799 3.3799 4.7397 4.7397 4.7451 4.7451 5.1807 5.1807 5.8063 5.8063 6.0610 6.0610 6.0733 6.0733 6.7661 6.7661 6.7663 6.7663 7.4350 7.4350 9.5644 9.5644 9.5666 9.5666 9.9186 9.9186 9.9359 9.9359 10.7796 10.7796 k = 0.0789 0.0541 0.0412 ( 4916 PWs) bands (ev): -6.7388 -6.7388 -4.0651 -4.0651 -2.8100 -2.8100 -2.3585 -2.3585 -2.3557 -2.3557 -0.8159 -0.8159 -0.2497 -0.2497 -0.2435 -0.2435 0.7081 0.7081 0.7119 0.7119 0.9438 0.9438 1.9706 1.9706 1.9859 1.9859 2.3032 2.3032 3.2973 3.2973 4.7205 4.7205 4.7260 4.7260 5.1728 5.1728 5.8422 5.8422 6.0783 6.0783 6.0906 6.0906 6.8171 6.8171 6.8174 6.8174 7.4610 7.4610 9.5738 9.5738 9.5756 9.5756 9.9203 9.9203 9.9380 9.9380 10.7497 10.7497 k = 0.0658 0.0451 0.0343 ( 4922 PWs) bands (ev): -6.7492 -6.7492 -4.0451 -4.0451 -2.8193 -2.8193 -2.3530 -2.3530 -2.3501 -2.3501 -0.7770 -0.7770 -0.2478 -0.2478 -0.2419 -0.2419 0.7299 0.7299 0.7337 0.7337 0.9673 0.9673 1.9125 1.9125 1.9280 1.9280 2.2541 2.2541 3.2232 3.2232 4.7043 4.7043 4.7099 4.7099 5.1660 5.1660 5.8728 5.8728 6.0928 6.0928 6.1052 6.1052 6.8613 6.8613 6.8616 6.8616 7.4849 7.4849 9.5828 9.5828 9.5843 9.5843 9.9212 9.9212 9.9393 9.9393 10.7226 10.7226 k = 0.0526 0.0360 0.0275 ( 4922 PWs) bands (ev): -6.7578 -6.7578 -4.0284 -4.0284 -2.8275 -2.8275 -2.3483 -2.3483 -2.3454 -2.3454 -0.7441 -0.7441 -0.2476 -0.2476 -0.2419 -0.2419 0.7526 0.7526 0.7562 0.7562 0.9889 0.9889 1.8612 1.8612 1.8769 1.8769 2.2134 2.2134 3.1594 3.1594 4.6911 4.6911 4.6967 4.6967 5.1604 5.1604 5.8978 5.8978 6.1047 6.1047 6.1170 6.1170 6.8980 6.8980 6.8984 6.8984 7.5058 7.5058 9.5911 9.5911 9.5923 9.5923 9.9214 9.9214 9.9399 9.9399 10.6991 10.6991 k = 0.0395 0.0270 0.0206 ( 4892 PWs) bands (ev): -6.7644 -6.7644 -4.0152 -4.0152 -2.8341 -2.8341 -2.3446 -2.3446 -2.3416 -2.3416 -0.7178 -0.7178 -0.2482 -0.2482 -0.2426 -0.2426 0.7737 0.7737 0.7772 0.7772 1.0073 1.0073 1.8184 1.8184 1.8344 1.8344 2.1815 2.1815 3.1075 3.1075 4.6808 4.6808 4.6865 4.6865 5.1560 5.1560 5.9172 5.9172 6.1139 6.1139 6.1262 6.1262 6.9269 6.9269 6.9274 6.9274 7.5230 7.5230 9.5981 9.5981 9.5991 9.5991 9.9212 9.9212 9.9400 9.9400 10.6799 10.6799 k = 0.0263 0.0180 0.0137 ( 4904 PWs) bands (ev): -6.7692 -6.7692 -4.0056 -4.0056 -2.8391 -2.8391 -2.3418 -2.3418 -2.3389 -2.3389 -0.6986 -0.6986 -0.2490 -0.2490 -0.2436 -0.2436 0.7910 0.7910 0.7944 0.7944 1.0214 1.0214 1.7859 1.7859 1.8021 1.8021 2.1586 2.1586 3.0691 3.0691 4.6735 4.6735 4.6792 4.6792 5.1529 5.1529 5.9311 5.9311 6.1205 6.1205 6.1328 6.1328 6.9478 6.9478 6.9483 6.9483 7.5358 7.5358 9.6036 9.6036 9.6043 9.6043 9.9209 9.9209 9.9399 9.9399 10.6657 10.6657 k = 0.0132 0.0090 0.0069 ( 4910 PWs) bands (ev): -6.7721 -6.7721 -3.9997 -3.9997 -2.8421 -2.8421 -2.3402 -2.3402 -2.3372 -2.3372 -0.6869 -0.6869 -0.2497 -0.2497 -0.2443 -0.2443 0.8024 0.8024 0.8056 0.8056 1.0302 1.0302 1.7656 1.7656 1.7820 1.7820 2.1448 2.1448 3.0455 3.0455 4.6691 4.6691 4.6748 4.6748 5.1510 5.1510 5.9394 5.9394 6.1244 6.1244 6.1367 6.1367 6.9604 6.9604 6.9609 6.9609 7.5437 7.5437 9.6070 9.6070 9.6076 9.6076 9.9205 9.9205 9.9397 9.9397 10.6570 10.6570 k = 0.0000 0.0000 0.0000 ( 4895 PWs) bands (ev): -6.7730 -6.7730 -3.9978 -3.9978 -2.8432 -2.8432 -2.3396 -2.3396 -2.3367 -2.3367 -0.6829 -0.6829 -0.2500 -0.2500 -0.2446 -0.2446 0.8064 0.8064 0.8096 0.8096 1.0333 1.0333 1.7587 1.7587 1.7751 1.7751 2.1402 2.1402 3.0376 3.0376 4.6676 4.6676 4.6734 4.6734 5.1504 5.1504 5.9422 5.9422 6.1258 6.1258 6.1380 6.1380 6.9646 6.9646 6.9651 6.9651 7.5464 7.5464 9.6082 9.6082 9.6088 9.6088 9.9204 9.9204 9.9397 9.9397 10.6541 10.6541 k = 0.0000 0.0000 0.0000 ( 4895 PWs) bands (ev): -6.7730 -6.7730 -3.9978 -3.9978 -2.8432 -2.8432 -2.3396 -2.3396 -2.3367 -2.3367 -0.6829 -0.6829 -0.2500 -0.2500 -0.2446 -0.2446 0.8064 0.8064 0.8096 0.8096 1.0333 1.0333 1.7587 1.7587 1.7751 1.7751 2.1402 2.1402 3.0376 3.0376 4.6676 4.6676 4.6734 4.6734 5.1504 5.1504 5.9422 5.9422 6.1258 6.1258 6.1380 6.1380 6.9646 6.9646 6.9651 6.9651 7.5464 7.5464 9.6082 9.6082 9.6088 9.6088 9.9204 9.9204 9.9397 9.9397 10.6541 10.6541 k = 0.0099-0.0038-0.0139 ( 4903 PWs) bands (ev): -6.7720 -6.7720 -4.0012 -4.0012 -2.8445 -2.8445 -2.3397 -2.3397 -2.3351 -2.3351 -0.6864 -0.6864 -0.2466 -0.2466 -0.2410 -0.2410 0.8048 0.8048 0.8097 0.8097 1.0323 1.0323 1.7566 1.7566 1.7752 1.7752 2.1524 2.1524 3.0400 3.0400 4.6612 4.6612 4.6708 4.6708 5.1443 5.1443 5.9473 5.9473 6.1215 6.1215 6.1348 6.1348 6.9626 6.9626 6.9658 6.9658 7.5477 7.5477 9.6095 9.6095 9.6150 9.6150 9.9148 9.9148 9.9360 9.9360 10.6638 10.6638 k = 0.0198-0.0077-0.0278 ( 4903 PWs) bands (ev): -6.7690 -6.7690 -4.0115 -4.0115 -2.8487 -2.8487 -2.3421 -2.3421 -2.3282 -2.3282 -0.6965 -0.6965 -0.2373 -0.2373 -0.2291 -0.2291 0.7973 0.7973 0.8128 0.8128 1.0299 1.0299 1.7453 1.7453 1.7832 1.7832 2.1864 2.1864 3.0475 3.0475 4.6372 4.6372 4.6680 4.6680 5.1268 5.1268 5.9619 5.9619 6.1051 6.1051 6.1291 6.1291 6.9558 6.9558 6.9683 6.9683 7.5517 7.5517 9.6129 9.6129 9.6342 9.6342 9.8926 9.8926 9.9319 9.9319 10.6917 10.6917 k = 0.0296-0.0115-0.0417 ( 4897 PWs) bands (ev): -6.7640 -6.7640 -4.0284 -4.0284 -2.8558 -2.8558 -2.3462 -2.3462 -2.3163 -2.3163 -0.7130 -0.7130 -0.2231 -0.2231 -0.2087 -0.2087 0.7833 0.7833 0.8185 0.8185 1.0272 1.0272 1.7282 1.7282 1.8004 1.8004 2.2364 2.2364 3.0600 3.0600 4.5977 4.5977 4.6646 4.6646 5.0992 5.0992 5.9845 5.9845 6.0750 6.0750 6.1222 6.1222 6.9448 6.9448 6.9722 6.9722 7.5578 7.5578 9.6185 9.6185 9.6653 9.6653 9.8554 9.8554 9.9297 9.9297 10.7340 10.7340 k = 0.0395-0.0153-0.0556 ( 4899 PWs) bands (ev): -6.7570 -6.7570 -4.0513 -4.0513 -2.8663 -2.8663 -2.3511 -2.3511 -2.3004 -2.3004 -0.7352 -0.7352 -0.2039 -0.2039 -0.1806 -0.1806 0.7623 0.7623 0.8266 0.8266 1.0259 1.0259 1.7114 1.7114 1.8250 1.8250 2.2968 2.2968 3.0773 3.0773 4.5451 4.5451 4.6600 4.6600 5.0633 5.0633 6.0125 6.0125 6.0331 6.0331 6.1129 6.1129 6.9298 6.9298 6.9768 6.9768 7.5653 7.5653 9.6268 9.6268 9.7043 9.7043 9.8121 9.8121 9.9276 9.9276 10.7870 10.7870 k = 0.0494-0.0192-0.0695 ( 4901 PWs) bands (ev): -6.7480 -6.7480 -4.0798 -4.0798 -2.8804 -2.8804 -2.3558 -2.3558 -2.2808 -2.2808 -0.7626 -0.7626 -0.1796 -0.1796 -0.1457 -0.1457 0.7342 0.7342 0.8372 0.8372 1.0272 1.0272 1.6978 1.6978 1.8561 1.8561 2.3635 2.3635 3.0995 3.0995 4.4819 4.4819 4.6545 4.6545 5.0210 5.0210 5.9797 5.9797 6.0433 6.0433 6.1016 6.1016 6.9111 6.9111 6.9815 6.9815 7.5733 7.5733 9.6379 9.6379 9.7192 9.7192 9.7982 9.7982 9.9248 9.9248 10.8473 10.8473 k = 0.0593-0.0230-0.0834 ( 4903 PWs) bands (ev): -6.7370 -6.7370 -4.1132 -4.1132 -2.8985 -2.8985 -2.3595 -2.3595 -2.2584 -2.2584 -0.7945 -0.7945 -0.1503 -0.1503 -0.1050 -0.1050 0.6992 0.6992 0.8500 0.8500 1.0320 1.0320 1.6886 1.6886 1.8931 1.8931 2.4334 2.4334 3.1265 3.1265 4.4110 4.4110 4.6482 4.6482 4.9738 4.9738 5.9168 5.9168 6.0626 6.0626 6.0990 6.0990 6.8890 6.8890 6.9857 6.9857 7.5809 7.5809 9.6518 9.6518 9.6736 9.6736 9.8518 9.8518 9.9209 9.9209 10.9124 10.9124 k = 0.0691-0.0268-0.0973 ( 4907 PWs) bands (ev): -6.7241 -6.7241 -4.1509 -4.1509 -2.9208 -2.9208 -2.3613 -2.3613 -2.2339 -2.2339 -0.8304 -0.8304 -0.1163 -0.1163 -0.0590 -0.0590 0.6587 0.6587 0.8653 0.8653 1.0405 1.0405 1.6842 1.6842 1.9356 1.9356 2.5037 2.5037 3.1581 3.1581 4.3356 4.3356 4.6413 4.6413 4.9231 4.9231 5.8449 5.8449 6.0489 6.0489 6.1250 6.1250 6.8638 6.8638 6.9888 6.9888 7.5874 7.5874 9.6132 9.6132 9.6692 9.6692 9.9156 9.9156 9.9274 9.9274 10.9805 10.9805 k = 0.0790-0.0306-0.1112 ( 4909 PWs) bands (ev): -6.7091 -6.7091 -4.1923 -4.1923 -2.9475 -2.9475 -2.3606 -2.3606 -2.2078 -2.2078 -0.8698 -0.8698 -0.0778 -0.0778 -0.0087 -0.0087 0.6141 0.6141 0.8829 0.8829 1.0525 1.0525 1.6846 1.6846 1.9829 1.9829 2.5717 2.5717 3.1941 3.1941 4.2590 4.2590 4.6340 4.6340 4.8700 4.8700 5.7649 5.7649 6.0219 6.0219 6.1580 6.1580 6.8357 6.8357 6.9902 6.9902 7.5919 7.5919 9.5497 9.5497 9.6890 9.6890 9.9093 9.9093 10.0139 10.0139 11.0505 11.0505 k = 0.0889-0.0345-0.1252 ( 4909 PWs) bands (ev): -6.6923 -6.6923 -4.2366 -4.2366 -2.9784 -2.9784 -2.3570 -2.3570 -2.1809 -2.1809 -0.9119 -0.9119 -0.0355 -0.0355 0.0454 0.0454 0.5671 0.5671 0.9029 0.9029 1.0680 1.0680 1.6893 1.6893 2.0347 2.0347 2.6344 2.6344 3.2343 3.2343 4.1852 4.1852 4.6268 4.6268 4.8154 4.8154 5.6777 5.6777 5.9882 5.9882 6.1903 6.1903 6.8049 6.8049 6.9898 6.9898 7.5939 7.5939 9.4850 9.4850 9.7107 9.7107 9.9023 9.9023 10.1087 10.1087 11.1214 11.1214 k = 0.0988-0.0383-0.1391 ( 4911 PWs) bands (ev): -6.6735 -6.6735 -4.2835 -4.2835 -3.0132 -3.0132 -2.3501 -2.3501 -2.1537 -2.1537 -0.9565 -0.9565 0.0101 0.0101 0.1026 0.1026 0.5192 0.5192 0.9251 0.9251 1.0865 1.0865 1.6981 1.6981 2.0905 2.0905 2.6883 2.6883 3.2784 3.2784 4.1185 4.1185 4.6199 4.6199 4.7599 4.7599 5.5843 5.5843 5.9485 5.9485 6.2199 6.2199 6.7718 6.7718 6.9873 6.9873 7.5928 7.5928 9.4199 9.4199 9.7324 9.7324 9.8967 9.8967 10.2100 10.2100 11.1926 11.1926 k = 0.1086-0.0421-0.1530 ( 4897 PWs) bands (ev): -6.6528 -6.6528 -4.3322 -4.3322 -3.0516 -3.0516 -2.3399 -2.3399 -2.1270 -2.1270 -1.0029 -1.0029 0.0579 0.0579 0.1623 0.1623 0.4725 0.4725 0.9496 0.9496 1.1078 1.1078 1.7106 1.7106 2.1498 2.1498 2.7295 2.7295 3.3260 3.3260 4.0637 4.0637 4.6136 4.6136 4.7043 4.7043 5.4854 5.4854 5.9030 5.9030 6.2458 6.2458 6.7366 6.7366 6.9830 6.9830 7.5882 7.5882 9.3551 9.3551 9.7500 9.7500 9.8962 9.8962 10.3162 10.3162 11.2634 11.2634 k = 0.1185-0.0460-0.1669 ( 4901 PWs) bands (ev): -6.6303 -6.6303 -4.3823 -4.3823 -3.0930 -3.0930 -2.3264 -2.3264 -2.1012 -2.1012 -1.0508 -1.0508 0.1058 0.1058 0.2239 0.2239 0.4293 0.4293 0.9761 0.9761 1.1315 1.1315 1.7263 1.7263 2.2124 2.2124 2.7541 2.7541 3.3766 3.3766 4.0253 4.0253 4.6085 4.6085 4.6493 4.6493 5.3821 5.3821 5.8519 5.8519 6.2671 6.2671 6.6994 6.6994 6.9768 6.9768 7.5798 7.5798 9.2907 9.2907 9.7574 9.7574 9.9069 9.9069 10.4254 10.4254 11.3332 11.3332 k = 0.1284-0.0498-0.1808 ( 4895 PWs) bands (ev): -6.6059 -6.6059 -4.4335 -4.4335 -3.1370 -3.1370 -2.3098 -2.3098 -2.0768 -2.0768 -1.0996 -1.0996 0.1496 0.1496 0.2870 0.2870 0.3944 0.3944 1.0046 1.0046 1.1574 1.1574 1.7451 1.7451 2.2780 2.2780 2.7591 2.7591 3.4296 3.4296 4.0069 4.0069 4.5954 4.5954 4.6048 4.6048 5.2751 5.2751 5.7955 5.7955 6.2831 6.2831 6.6606 6.6606 6.9690 6.9690 7.5673 7.5673 9.2270 9.2270 9.7513 9.7513 9.9320 9.9320 10.5362 10.5362 11.4012 11.4012 k = 0.1383-0.0536-0.1947 ( 4901 PWs) bands (ev): -6.5797 -6.5797 -4.4854 -4.4854 -3.1830 -3.1830 -2.2903 -2.2903 -2.0543 -2.0543 -1.1490 -1.1490 0.1803 0.1803 0.3511 0.3511 0.3771 0.3771 1.0350 1.0350 1.1851 1.1851 1.7665 1.7665 2.3463 2.3463 2.7441 2.7441 3.4842 3.4842 4.0097 4.0097 4.5439 4.5439 4.6025 4.6025 5.1656 5.1656 5.7338 5.7338 6.2932 6.2932 6.6203 6.6203 6.9598 6.9598 7.5505 7.5505 9.1642 9.1642 9.7343 9.7343 9.9688 9.9688 10.6469 10.6469 11.4663 11.4663 k = 0.1482-0.0575-0.2086 ( 4895 PWs) bands (ev): -6.5517 -6.5517 -4.5375 -4.5375 -3.2306 -3.2306 -2.2681 -2.2681 -2.0340 -2.0340 -1.1987 -1.1987 0.1861 0.1861 0.3889 0.3889 0.4160 0.4160 1.0670 1.0670 1.2138 1.2138 1.7904 1.7904 2.4172 2.4172 2.7111 2.7111 3.5397 3.5397 4.0314 4.0314 4.4959 4.4959 4.6015 4.6015 5.0551 5.0551 5.6673 5.6673 6.2971 6.2971 6.5789 6.5789 6.9493 6.9493 7.5295 7.5295 9.1026 9.1026 9.7100 9.7100 10.0137 10.0137 10.7558 10.7558 11.5273 11.5273 k = 0.1580-0.0613-0.2225 ( 4901 PWs) bands (ev): -6.5220 -6.5220 -4.5896 -4.5896 -3.2793 -3.2793 -2.2435 -2.2435 -2.0166 -2.0166 -1.2482 -1.2482 0.1700 0.1700 0.4271 0.4271 0.4812 0.4812 1.1004 1.1004 1.2428 1.2428 1.8164 1.8164 2.4904 2.4904 2.6646 2.6646 3.5950 3.5950 4.0667 4.0667 4.4541 4.4541 4.6001 4.6001 4.9467 4.9467 5.5963 5.5963 6.2945 6.2945 6.5364 6.5364 6.9376 6.9376 7.5042 7.5042 9.0423 9.0423 9.6809 9.6809 10.0642 10.0642 10.8615 10.8615 11.5824 11.5824 k = 0.1679-0.0651-0.2364 ( 4895 PWs) bands (ev): -6.4906 -6.4906 -4.6415 -4.6415 -3.3287 -3.3287 -2.2167 -2.2167 -2.0022 -2.0022 -1.2971 -1.2971 0.1448 0.1448 0.4786 0.4786 0.5466 0.5466 1.1350 1.1350 1.2709 1.2709 1.8444 1.8444 2.5657 2.5657 2.6104 2.6104 3.6492 3.6492 4.1066 4.1066 4.4236 4.4236 4.5926 4.5926 4.8476 4.8476 5.5213 5.5213 6.2855 6.2855 6.4933 6.4933 6.9245 6.9245 7.4748 7.4748 8.9836 8.9836 9.6485 9.6485 10.1189 10.1189 10.9624 10.9624 11.6294 11.6294 k = 0.1778-0.0689-0.2503 ( 4897 PWs) bands (ev): -6.4576 -6.4576 -4.6928 -4.6928 -3.3785 -3.3785 -2.1880 -2.1880 -1.9912 -1.9912 -1.3451 -1.3451 0.1180 0.1180 0.5354 0.5354 0.6120 0.6120 1.1706 1.1706 1.2966 1.2966 1.8739 1.8739 2.5542 2.5542 2.6432 2.6432 3.7011 3.7011 4.1372 4.1372 4.4143 4.4143 4.5619 4.5619 4.7761 4.7761 5.4429 5.4429 6.2703 6.2703 6.4495 6.4495 6.9097 6.9097 7.4416 7.4416 8.9269 8.9269 9.6138 9.6138 10.1769 10.1769 11.0568 11.0568 11.5216 11.5216 k = 0.1877-0.0728-0.2642 ( 4901 PWs) bands (ev): -6.4230 -6.4230 -4.7433 -4.7433 -3.4284 -3.4284 -2.1578 -2.1578 -1.9841 -1.9841 -1.3916 -1.3916 0.0933 0.0933 0.5935 0.5935 0.6773 0.6773 1.2068 1.2068 1.3176 1.3176 1.9048 1.9048 2.5026 2.5026 2.7220 2.7220 3.7494 3.7494 4.1451 4.1451 4.4362 4.4362 4.4906 4.4906 4.7512 4.7512 5.3620 5.3620 6.2491 6.2491 6.4055 6.4055 6.8928 6.8928 7.4050 7.4050 8.8726 8.8726 9.5775 9.5775 10.2373 10.2373 11.1428 11.1428 11.4033 11.4033 k = 0.1975-0.0766-0.2781 ( 4905 PWs) bands (ev): -6.3870 -6.3870 -4.7929 -4.7929 -3.4782 -3.4782 -2.1266 -2.1266 -1.9810 -1.9810 -1.4362 -1.4362 0.0721 0.0721 0.6508 0.6508 0.7426 0.7426 1.2434 1.2434 1.3316 1.3316 1.9369 1.9369 2.4609 2.4609 2.8021 2.8021 3.7927 3.7927 4.1303 4.1303 4.3920 4.3920 4.4861 4.4861 4.7610 4.7610 5.2799 5.2799 6.2226 6.2226 6.3613 6.3613 6.8734 6.8734 7.3654 7.3654 8.8212 8.8212 9.5403 9.5403 10.2996 10.2996 11.2177 11.2177 11.2856 11.2856 k = 0.2074-0.0804-0.2920 ( 4903 PWs) bands (ev): -6.3496 -6.3496 -4.8412 -4.8412 -3.5276 -3.5276 -2.0951 -2.0951 -1.9821 -1.9821 -1.4779 -1.4779 0.0554 0.0554 0.7052 0.7052 0.8077 0.8077 1.2799 1.2799 1.3363 1.3363 1.9704 1.9704 2.4341 2.4341 2.8828 2.8828 3.8291 3.8291 4.1027 4.1027 4.2856 4.2856 4.5498 4.5498 4.7884 4.7884 5.1989 5.1989 6.1913 6.1913 6.3171 6.3171 6.8510 6.8510 7.3235 7.3235 8.7732 8.7732 9.5027 9.5027 10.3629 10.3629 11.1690 11.1690 11.2782 11.2782 k = 0.2173-0.0843-0.3059 ( 4905 PWs) bands (ev): -6.3109 -6.3109 -4.8882 -4.8882 -3.5764 -3.5764 -2.0643 -2.0643 -1.9877 -1.9877 -1.5159 -1.5159 0.0435 0.0435 0.7548 0.7548 0.8727 0.8727 1.3154 1.3154 1.3316 1.3316 2.0059 2.0059 2.4252 2.4252 2.9632 2.9632 3.8544 3.8544 4.0699 4.0699 4.1832 4.1832 4.6138 4.6138 4.8262 4.8262 5.1240 5.1240 6.1558 6.1558 6.2733 6.2733 6.8251 6.8251 7.2801 7.2801 8.7290 8.7290 9.4652 9.4652 10.4265 10.4265 11.0542 11.0542 11.3205 11.3205 k = 0.2272-0.0881-0.3198 ( 4907 PWs) bands (ev): -6.2712 -6.2712 -4.9335 -4.9335 -3.6244 -3.6244 -2.0354 -2.0354 -1.9978 -1.9978 -1.5487 -1.5487 0.0367 0.0367 0.7969 0.7969 0.9377 0.9377 1.3154 1.3154 1.3530 1.3530 2.0442 2.0442 2.4353 2.4353 3.0417 3.0417 3.8575 3.8575 4.0359 4.0359 4.1002 4.1002 4.6628 4.6628 4.8707 4.8707 5.0656 5.0656 6.1170 6.1170 6.2298 6.2298 6.7954 6.7954 7.2361 7.2361 8.6893 8.6893 9.4281 9.4281 10.4888 10.4888 10.9425 10.9425 11.3418 11.3418 k = 0.2371-0.0919-0.3337 ( 4907 PWs) bands (ev): -6.2305 -6.2305 -4.9770 -4.9770 -3.6716 -3.6716 -2.0127 -2.0127 -2.0103 -2.0103 -1.5741 -1.5741 0.0350 0.0350 0.8275 0.8275 1.0027 1.0027 1.2972 1.2972 1.3877 1.3877 2.0860 2.0860 2.4630 2.4630 3.1156 3.1156 3.8203 3.8203 4.0025 4.0025 4.0588 4.0588 4.6755 4.6755 4.9196 4.9196 5.0419 5.0419 6.0756 6.0756 6.1872 6.1872 6.7619 6.7619 7.1927 7.1927 8.6545 8.6545 9.3919 9.3919 10.5467 10.5467 10.8370 10.8370 11.3426 11.3426 k = 0.2469-0.0958-0.3477 ( 4909 PWs) bands (ev): -6.1890 -6.1890 -5.0184 -5.0184 -3.7177 -3.7177 -2.0317 -2.0317 -1.9921 -1.9921 -1.5898 -1.5898 0.0381 0.0381 0.8417 0.8417 1.0677 1.0677 1.2823 1.2823 1.4215 1.4215 2.1315 2.1315 2.5058 2.5058 3.1796 3.1796 3.7510 3.7510 3.9707 3.9707 4.0574 4.0574 4.6406 4.6406 4.9704 4.9704 5.0623 5.0623 6.0326 6.0326 6.1455 6.1455 6.7247 6.7247 7.1510 7.1510 8.6251 8.6251 9.3567 9.3567 10.5859 10.5859 10.7516 10.7516 11.3264 11.3264 k = 0.2568-0.0996-0.3616 ( 4909 PWs) bands (ev): -6.1471 -6.1471 -5.0575 -5.0575 -3.7626 -3.7626 -2.0552 -2.0552 -1.9828 -1.9828 -1.5931 -1.5931 0.0457 0.0457 0.8352 0.8352 1.1329 1.1329 1.2783 1.2783 1.4539 1.4539 2.1804 2.1804 2.5609 2.5609 3.2224 3.2224 3.6829 3.6829 3.9413 3.9413 4.0748 4.0748 4.5725 4.5725 5.0206 5.0206 5.1106 5.1106 5.9893 5.9893 6.1054 6.1054 6.6841 6.6841 7.1127 7.1127 8.6015 8.6015 9.3229 9.3229 10.5572 10.5572 10.7356 10.7356 11.2980 11.2980 k = 0.2667-0.1034-0.3755 ( 4909 PWs) bands (ev): -6.1049 -6.1049 -5.0940 -5.0940 -3.8063 -3.8063 -2.0830 -2.0830 -1.9837 -1.9837 -1.5828 -1.5828 0.0571 0.0571 0.8081 0.8081 1.1983 1.1983 1.2887 1.2887 1.4848 1.4848 2.2323 2.2323 2.6255 2.6255 3.2256 3.2256 3.6460 3.6460 3.9144 3.9144 4.1003 4.1003 4.4886 4.4886 5.0677 5.0677 5.1675 5.1675 5.9471 5.9471 6.0672 6.0672 6.6409 6.6409 7.0791 7.0791 8.5840 8.5840 9.2907 9.2907 10.4724 10.4724 10.7767 10.7767 11.2611 11.2611 k = 0.2766-0.1072-0.3894 ( 4903 PWs) bands (ev): -6.0630 -6.0630 -5.1274 -5.1274 -3.8487 -3.8487 -2.1148 -2.1148 -1.9942 -1.9942 -1.5595 -1.5595 0.0713 0.0713 0.7655 0.7655 1.2639 1.2639 1.3116 1.3116 1.5137 1.5137 2.2865 2.2865 2.6969 2.6969 3.1790 3.1790 3.6538 3.6538 3.8899 3.8899 4.1311 4.1311 4.3986 4.3986 5.1087 5.1087 5.2211 5.2211 5.9079 5.9079 6.0316 6.0316 6.5963 6.5963 7.0521 7.0521 8.5728 8.5728 9.2601 9.2601 10.3775 10.3775 10.8288 10.8288 11.2188 11.2188 k = 0.2864-0.1111-0.4033 ( 4899 PWs) bands (ev): -6.0217 -6.0217 -5.1573 -5.1573 -3.8897 -3.8897 -2.1503 -2.1503 -2.0121 -2.0121 -1.5255 -1.5255 0.0865 0.0865 0.7148 0.7148 1.3296 1.3296 1.3430 1.3430 1.5404 1.5404 2.3426 2.3426 2.7727 2.7727 3.0970 3.0970 3.6929 3.6929 3.8672 3.8672 4.1667 4.1667 4.3082 4.3082 5.1412 5.1412 5.2641 5.2641 5.8737 5.8737 5.9993 5.9993 6.5518 6.5518 7.0332 7.0332 8.5681 8.5681 9.2314 9.2314 10.2831 10.2831 10.8811 10.8811 11.1730 11.1730 k = 0.2963-0.1149-0.4172 ( 4901 PWs) bands (ev): -5.9817 -5.9817 -5.1833 -5.1833 -3.9291 -3.9291 -2.1893 -2.1893 -2.0348 -2.0348 -1.4832 -1.4832 0.1006 0.1006 0.6632 0.6632 1.3794 1.3794 1.3956 1.3956 1.5647 1.5647 2.4003 2.4003 2.8502 2.8502 2.9977 2.9977 3.7452 3.7452 3.8440 3.8440 4.2074 4.2074 4.2228 4.2228 5.1625 5.1625 5.2908 5.2908 5.8461 5.8461 5.9708 5.9708 6.5099 6.5099 7.0239 7.0239 8.5700 8.5700 9.2047 9.2047 10.1916 10.1916 10.9308 10.9308 11.1247 11.1247 k = 0.3062-0.1187-0.4311 ( 4897 PWs) bands (ev): -5.9436 -5.9436 -5.2046 -5.2046 -3.9670 -3.9670 -2.2314 -2.2314 -2.0604 -2.0604 -1.4347 -1.4347 0.1098 0.1098 0.6174 0.6174 1.4184 1.4184 1.4616 1.4616 1.5863 1.5863 2.4595 2.4595 2.8910 2.8910 2.9273 2.9273 3.7996 3.7996 3.8169 3.8169 4.1493 4.1493 4.2539 4.2539 5.1709 5.1709 5.2980 5.2980 5.8248 5.8248 5.9465 5.9465 6.4735 6.4735 7.0255 7.0255 8.5786 8.5786 9.1802 9.1802 10.1044 10.1044 10.9766 10.9766 11.0750 11.0750 k = 0.3161-0.1226-0.4450 ( 4900 PWs) bands (ev): -5.9083 -5.9083 -5.2205 -5.2205 -4.0033 -4.0033 -2.2764 -2.2764 -2.0874 -2.0874 -1.3815 -1.3815 0.1099 0.1099 0.5842 0.5842 1.4586 1.4586 1.5273 1.5273 1.6049 1.6049 2.5200 2.5200 2.7830 2.7830 2.9999 2.9999 3.7754 3.7754 3.8547 3.8547 4.0974 4.0974 4.3059 4.3059 5.1656 5.1656 5.2856 5.2856 5.8063 5.8063 5.9262 5.9262 6.4458 6.4458 7.0387 7.0387 8.5939 8.5939 9.1579 9.1579 10.0222 10.0222 11.0173 11.0173 11.0243 11.0243 k = 0.3259-0.1264-0.4589 ( 4896 PWs) bands (ev): -5.8768 -5.8768 -5.2302 -5.2302 -4.0379 -4.0379 -2.3240 -2.3240 -2.1149 -2.1149 -1.3245 -1.3245 0.0967 0.0967 0.5688 0.5688 1.4988 1.4988 1.5918 1.5918 1.6207 1.6207 2.5816 2.5816 2.6759 2.6759 3.0656 3.0656 3.7195 3.7195 3.9043 3.9043 4.0744 4.0744 4.3629 4.3629 5.1469 5.1469 5.2565 5.2565 5.7850 5.7850 5.9095 5.9095 6.4299 6.4299 7.0634 7.0634 8.6157 8.6157 9.1381 9.1381 9.9454 9.9454 10.9725 10.9725 11.0529 11.0529 k = 0.3358-0.1302-0.4728 ( 4894 PWs) bands (ev): -5.8498 -5.8498 -5.2329 -5.2329 -4.0708 -4.0708 -2.3737 -2.3737 -2.1422 -2.1422 -1.2644 -1.2644 0.0693 0.0693 0.5733 0.5733 1.5384 1.5384 1.6271 1.6271 1.6604 1.6604 2.5721 2.5721 2.6446 2.6446 3.1197 3.1197 3.6519 3.6519 3.9497 3.9497 4.0792 4.0792 4.4237 4.4237 5.1161 5.1161 5.2147 5.2147 5.7556 5.7556 5.8955 5.8955 6.4270 6.4270 7.0991 7.0991 8.6441 8.6441 9.1208 9.1208 9.8746 9.8746 10.9201 10.9201 11.0824 11.0824 k = 0.3457-0.1341-0.4867 ( 4894 PWs) bands (ev): -5.8281 -5.8281 -5.2283 -5.2283 -4.1020 -4.1020 -2.4252 -2.4252 -2.1689 -2.1689 -1.2019 -1.2019 0.0302 0.0302 0.5957 0.5957 1.5770 1.5770 1.6327 1.6327 1.7229 1.7229 2.4745 2.4745 2.7081 2.7081 3.1560 3.1560 3.5843 3.5843 3.9911 3.9911 4.1061 4.1061 4.4867 4.4867 5.0750 5.0750 5.1641 5.1641 5.7159 5.7159 5.8835 5.8835 6.4362 6.4362 7.1444 7.1444 8.6787 8.6787 9.1064 9.1064 9.8102 9.8102 10.8669 10.8669 11.1057 11.1057 k = 0.3556-0.1379-0.5006 ( 4896 PWs) bands (ev): -5.8119 -5.8119 -5.2160 -5.2160 -4.1314 -4.1314 -2.4782 -2.4782 -2.1946 -2.1946 -1.1374 -1.1374 -0.0163 -0.0163 0.6322 0.6322 1.6139 1.6139 1.6304 1.6304 1.7836 1.7836 2.3861 2.3861 2.7724 2.7724 3.1650 3.1650 3.5308 3.5308 4.0290 4.0290 4.1495 4.1495 4.5502 4.5502 5.0258 5.0258 5.1077 5.1077 5.6665 5.6665 5.8728 5.8728 6.4547 6.4547 7.1977 7.1977 8.7194 8.7194 9.0950 9.0950 9.7524 9.7524 10.8127 10.8127 11.1227 11.1227 k = 0.3655-0.1417-0.5145 ( 4892 PWs) bands (ev): -5.8013 -5.8013 -5.1965 -5.1965 -4.1589 -4.1589 -2.5322 -2.5322 -2.2192 -2.2192 -1.0712 -1.0712 -0.0665 -0.0665 0.6792 0.6792 1.6183 1.6183 1.6496 1.6496 1.8399 1.8399 2.3113 2.3113 2.8367 2.8367 3.1383 3.1383 3.5041 3.5041 4.0638 4.0638 4.2045 4.2045 4.6124 4.6124 4.9708 4.9708 5.0481 5.0481 5.6095 5.6095 5.8632 5.8632 6.4791 6.4791 7.2570 7.2570 8.7658 8.7658 9.0869 9.0869 9.7014 9.7014 10.7573 10.7573 11.1334 11.1334 k = 0.3753-0.1455-0.5284 ( 4886 PWs) bands (ev): -5.7955 -5.7955 -5.1707 -5.1707 -4.1847 -4.1847 -2.5868 -2.5868 -2.2424 -2.2424 -1.0037 -1.0037 -0.1175 -0.1175 0.7341 0.7341 1.5952 1.5952 1.6828 1.6828 1.8880 1.8880 2.2562 2.2562 2.8989 2.8989 3.0813 3.0813 3.5038 3.5038 4.0958 4.0958 4.2665 4.2665 4.6716 4.6716 4.9123 4.9123 4.9872 4.9872 5.5475 5.5475 5.8545 5.8545 6.5063 6.5063 7.3203 7.3203 8.8173 8.8173 9.0825 9.0825 9.6574 9.6574 10.7003 10.7003 11.1382 11.1382 k = 0.3852-0.1494-0.5423 ( 4880 PWs) bands (ev): -5.7938 -5.7938 -5.1396 -5.1396 -4.2085 -4.2085 -2.6415 -2.6415 -2.2641 -2.2641 -0.9352 -0.9352 -0.1675 -0.1675 0.7952 0.7952 1.5589 1.5589 1.7139 1.7139 1.9228 1.9228 2.2278 2.2278 2.9393 2.9393 3.0257 3.0257 3.5200 3.5200 4.1250 4.1250 4.3303 4.3303 4.7246 4.7246 4.8542 4.8542 4.9274 4.9274 5.4832 5.4832 5.8468 5.8468 6.5341 6.5341 7.3856 7.3856 8.8736 8.8736 9.0820 9.0820 9.6201 9.6201 10.6415 10.6415 11.1376 11.1376 k = 0.3951-0.1532-0.5562 ( 4886 PWs) bands (ev): -5.7951 -5.7951 -5.1048 -5.1048 -4.2305 -4.2305 -2.6958 -2.6958 -2.2842 -2.2842 -0.8662 -0.8662 -0.2153 -0.2153 0.8613 0.8613 1.5094 1.5094 1.7425 1.7425 1.9409 1.9409 2.2298 2.2298 2.8837 2.8837 3.0559 3.0559 3.5445 3.5445 4.1513 4.1513 4.3898 4.3898 4.7520 4.7520 4.8170 4.8170 4.8718 4.8718 5.4193 5.4193 5.8402 5.8402 6.5608 6.5608 7.4510 7.4510 8.9338 8.9338 9.0857 9.0857 9.5893 9.5893 10.5803 10.5803 11.1321 11.1321 k = 0.6049 0.1892-0.2954 ( 4886 PWs) bands (ev): -5.7951 -5.7951 -5.1048 -5.1048 -4.2305 -4.2305 -2.6958 -2.6958 -2.2843 -2.2843 -0.8662 -0.8662 -0.2153 -0.2153 0.8613 0.8613 1.5094 1.5094 1.7425 1.7425 1.9409 1.9409 2.2297 2.2297 2.8837 2.8837 3.0559 3.0559 3.5445 3.5445 4.1513 4.1513 4.3898 4.3898 4.7520 4.7520 4.8170 4.8170 4.8718 4.8718 5.4193 5.4193 5.8401 5.8401 6.5608 6.5608 7.4510 7.4510 8.9338 8.9338 9.0857 9.0857 9.5893 9.5893 10.5803 10.5803 11.1321 11.1321 k = 0.5954 0.2031-0.2954 ( 4882 PWs) bands (ev): -5.7985 -5.7985 -5.0688 -5.0688 -4.2499 -4.2499 -2.7472 -2.7472 -2.3022 -2.3022 -0.7996 -0.7996 -0.2585 -0.2585 0.9290 0.9290 1.4508 1.4508 1.7676 1.7676 1.9459 1.9459 2.2554 2.2554 2.7943 2.7943 3.1159 3.1159 3.5726 3.5726 4.1732 4.1732 4.4354 4.4354 4.7146 4.7146 4.8266 4.8266 4.8417 4.8417 5.3608 5.3608 5.8348 5.8348 6.5845 6.5845 7.5127 7.5127 8.9951 8.9951 9.0936 9.0936 9.5652 9.5652 10.5190 10.5190 11.1231 11.1231 k = 0.5858 0.2170-0.2954 ( 4890 PWs) bands (ev): -5.8031 -5.8031 -5.0317 -5.0317 -4.2674 -4.2674 -2.7972 -2.7972 -2.3185 -2.3185 -0.7334 -0.7334 -0.2984 -0.2984 0.9999 0.9999 1.3849 1.3849 1.7902 1.7902 1.9450 1.9450 2.2949 2.2949 2.6990 2.6990 3.1793 3.1793 3.6033 3.6033 4.1909 4.1909 4.4599 4.4599 4.6626 4.6626 4.7957 4.7957 4.8790 4.8790 5.3087 5.3087 5.8305 5.8305 6.6056 6.6056 7.5715 7.5715 9.0584 9.0584 9.1060 9.1060 9.5458 9.5458 10.4553 10.4553 11.1113 11.1113 k = 0.5763 0.2310-0.2954 ( 4880 PWs) bands (ev): -5.8084 -5.8084 -4.9945 -4.9945 -4.2832 -4.2832 -2.8449 -2.8449 -2.3332 -2.3332 -0.6684 -0.6684 -0.3347 -0.3347 1.0737 1.0737 1.3150 1.3150 1.8101 1.8101 1.9427 1.9427 2.3407 2.3407 2.6020 2.6020 3.2433 3.2433 3.6357 3.6357 4.2032 4.2032 4.4570 4.4570 4.6136 4.6136 4.7811 4.7811 4.9137 4.9137 5.2670 5.2670 5.8271 5.8271 6.6239 6.6239 7.6264 7.6264 9.1158 9.1158 9.1301 9.1301 9.5304 9.5304 10.3897 10.3897 11.0977 11.0977 k = 0.5668 0.2449-0.2954 ( 4888 PWs) bands (ev): -5.8139 -5.8139 -4.9585 -4.9585 -4.2972 -4.2972 -2.8898 -2.8898 -2.3463 -2.3463 -0.6054 -0.6054 -0.3670 -0.3670 1.1498 1.1498 1.2442 1.2442 1.8271 1.8271 1.9406 1.9406 2.3881 2.3881 2.5051 2.5051 3.3066 3.3066 3.6693 3.6693 4.2087 4.2087 4.4297 4.4297 4.5716 4.5716 4.7755 4.7755 4.9440 4.9440 5.2398 5.2398 5.8247 5.8247 6.6392 6.6392 7.6763 7.6763 9.1402 9.1402 9.1920 9.1920 9.5178 9.5178 10.3225 10.3225 11.0835 11.0835 k = 0.5572 0.2588-0.2954 ( 4890 PWs) bands (ev): -5.8192 -5.8192 -4.9246 -4.9246 -4.3093 -4.3093 -2.9310 -2.9310 -2.3576 -2.3576 -0.5455 -0.5455 -0.3952 -0.3952 1.1752 1.1752 1.2279 1.2279 1.8410 1.8410 1.9392 1.9392 2.4094 2.4094 2.4343 2.4343 3.3685 3.3685 3.7031 3.7031 4.2064 4.2064 4.3876 4.3876 4.5390 4.5390 4.7673 4.7673 4.9695 4.9695 5.2296 5.2296 5.8230 5.8230 6.6517 6.6517 7.7204 7.7204 9.1640 9.1640 9.2576 9.2576 9.5069 9.5069 10.2547 10.2547 11.0697 11.0697 k = 0.5477 0.2728-0.2954 ( 4896 PWs) bands (ev): -5.8241 -5.8241 -4.8938 -4.8938 -4.3195 -4.3195 -2.9678 -2.9678 -2.3673 -2.3673 -0.4898 -0.4898 -0.4193 -0.4193 1.1106 1.1106 1.3072 1.3072 1.8513 1.8513 1.9383 1.9383 2.3162 2.3162 2.4772 2.4772 3.4278 3.4278 3.7362 3.7362 4.1966 4.1966 4.3390 4.3390 4.5164 4.5164 4.7507 4.7507 4.9904 4.9904 5.2346 5.2346 5.8219 5.8219 6.6615 6.6615 7.7583 7.7583 9.1901 9.1901 9.3221 9.3221 9.4966 9.4966 10.1877 10.1877 11.0572 11.0572 k = 0.5381 0.2867-0.2954 ( 4896 PWs) bands (ev): -5.8284 -5.8284 -4.8670 -4.8670 -4.3279 -4.3279 -2.9993 -2.9993 -2.3752 -2.3752 -0.4403 -0.4403 -0.4388 -0.4388 1.0527 1.0527 1.3870 1.3870 1.8571 1.8571 1.9379 1.9379 2.2274 2.2274 2.5150 2.5150 3.4832 3.4832 3.7672 3.7672 4.1817 4.1817 4.2896 4.2896 4.5029 4.5029 4.7274 4.7274 5.0069 5.0069 5.2494 5.2494 5.8212 5.8212 6.6689 6.6689 7.7896 7.7896 9.2174 9.2174 9.3840 9.3840 9.4860 9.4860 10.1232 10.1232 11.0468 11.0468 k = 0.5286 0.3006-0.2954 ( 4900 PWs) bands (ev): -5.8319 -5.8319 -4.8451 -4.8451 -4.3345 -4.3345 -3.0248 -3.0248 -2.3814 -2.3814 -0.4544 -0.4544 -0.3983 -0.3983 1.0040 1.0040 1.4660 1.4660 1.8565 1.8565 1.9378 1.9378 2.1464 2.1464 2.5464 2.5464 3.5324 3.5324 3.7944 3.7944 4.1650 4.1650 4.2437 4.2437 4.4960 4.4960 4.7022 4.7022 5.0194 5.0194 5.2676 5.2676 5.8208 5.8208 6.6742 6.6742 7.8140 7.8140 9.2441 9.2441 9.4408 9.4408 9.4750 9.4750 10.0638 10.0638 11.0388 11.0388 k = 0.5191 0.3145-0.2954 ( 4902 PWs) bands (ev): -5.8344 -5.8344 -4.8289 -4.8289 -4.3392 -4.3392 -3.0436 -3.0436 -2.3858 -2.3858 -0.4654 -0.4654 -0.3663 -0.3663 0.9669 0.9669 1.5409 1.5409 1.8463 1.8463 1.9379 1.9379 2.0796 2.0796 2.5699 2.5699 3.5723 3.5723 3.8159 3.8159 4.1503 4.1503 4.2056 4.2056 4.4929 4.4929 4.6801 4.6801 5.0280 5.0280 5.2839 5.2839 5.8206 5.8206 6.6778 6.6778 7.8314 7.8314 9.2678 9.2678 9.4634 9.4634 9.4896 9.4896 10.0135 10.0135 11.0334 11.0334 k = 0.5095 0.3285-0.2954 ( 4906 PWs) bands (ev): -5.8360 -5.8360 -4.8189 -4.8189 -4.3420 -4.3420 -3.0552 -3.0552 -2.3884 -2.3884 -0.4721 -0.4721 -0.3461 -0.3461 0.9436 0.9436 1.6039 1.6039 1.8256 1.8256 1.9381 1.9381 2.0360 2.0360 2.5844 2.5844 3.5989 3.5989 3.8298 3.8298 4.1403 4.1403 4.1798 4.1798 4.4919 4.4919 4.6651 4.6651 5.0331 5.0331 5.2950 5.2950 5.8205 5.8205 6.6798 6.6798 7.8419 7.8419 9.2849 9.2849 9.4548 9.4548 9.5234 9.5234 9.9782 9.9782 11.0303 11.0303 k = 0.5000 0.3424-0.2954 ( 4910 PWs) bands (ev): -5.8365 -5.8365 -4.8155 -4.8155 -4.3429 -4.3429 -3.0590 -3.0590 -2.3893 -2.3893 -0.4743 -0.4743 -0.3393 -0.3393 0.9356 0.9356 1.6323 1.6323 1.8113 1.8113 1.9382 1.9382 2.0214 2.0214 2.5894 2.5894 3.6084 3.6084 3.8347 3.8347 4.1367 4.1367 4.1706 4.1706 4.4916 4.4916 4.6598 4.6598 5.0348 5.0348 5.2989 5.2989 5.8205 5.8205 6.6804 6.6804 7.8454 7.8454 9.2913 9.2913 9.4512 9.4512 9.5359 9.5359 9.9653 9.9653 11.0293 11.0293 k = 0.5000 0.3424-0.2954 ( 4910 PWs) bands (ev): -5.8365 -5.8365 -4.8155 -4.8155 -4.3429 -4.3429 -3.0590 -3.0590 -2.3893 -2.3893 -0.4743 -0.4743 -0.3393 -0.3393 0.9356 0.9356 1.6323 1.6323 1.8113 1.8113 1.9382 1.9382 2.0214 2.0214 2.5894 2.5894 3.6084 3.6084 3.8347 3.8347 4.1367 4.1367 4.1706 4.1706 4.4916 4.4916 4.6598 4.6598 5.0348 5.0348 5.2989 5.2989 5.8205 5.8205 6.6804 6.6804 7.8454 7.8454 9.2913 9.2913 9.4512 9.4512 9.5359 9.5359 9.9653 9.9653 11.0293 11.0293 k = 0.5062 0.3466-0.2801 ( 4906 PWs) bands (ev): -5.8357 -5.8357 -4.8182 -4.8182 -4.3406 -4.3406 -3.0582 -3.0582 -2.3912 -2.3912 -0.4690 -0.4690 -0.3433 -0.3433 0.9256 0.9256 1.6344 1.6344 1.8216 1.8216 1.8946 1.8946 2.0655 2.0655 2.5861 2.5861 3.6005 3.6005 3.8316 3.8316 4.1503 4.1503 4.1724 4.1724 4.4935 4.4935 4.6616 4.6616 5.0344 5.0344 5.3005 5.3005 5.8174 5.8174 6.6776 6.6776 7.8444 7.8444 9.2895 9.2895 9.4485 9.4485 9.5390 9.5390 9.9677 9.9677 11.0287 11.0287 k = 0.5123 0.3508-0.2647 ( 4902 PWs) bands (ev): -5.8331 -5.8331 -4.8261 -4.8261 -4.3337 -4.3337 -3.0558 -3.0558 -2.3967 -2.3967 -0.4537 -0.4537 -0.3546 -0.3546 0.8968 0.8968 1.6405 1.6405 1.8228 1.8228 1.8543 1.8543 2.1354 2.1354 2.5764 2.5764 3.5777 3.5777 3.8253 3.8253 4.1776 4.1776 4.1871 4.1871 4.4993 4.4993 4.6672 4.6672 5.0333 5.0333 5.3054 5.3054 5.8079 5.8079 6.6694 6.6694 7.8413 7.8413 9.2844 9.2844 9.4411 9.4411 9.5472 9.5472 9.9748 9.9748 11.0269 11.0269 k = 0.5185 0.3551-0.2494 ( 4898 PWs) bands (ev): -5.8288 -5.8288 -4.8390 -4.8390 -4.3227 -4.3227 -3.0517 -3.0517 -2.4056 -2.4056 -0.4326 -0.4326 -0.3692 -0.3692 0.8527 0.8527 1.6495 1.6495 1.7525 1.7525 1.8993 1.8993 2.2089 2.2089 2.5605 2.5605 3.5429 3.5429 3.8206 3.8206 4.1860 4.1860 4.2392 4.2392 4.5089 4.5089 4.6764 4.6764 5.0314 5.0314 5.3136 5.3136 5.7921 5.7921 6.6562 6.6562 7.8358 7.8358 9.2764 9.2764 9.4312 9.4312 9.5586 9.5586 9.9860 9.9860 11.0236 11.0236 k = 0.5247 0.3593-0.2340 ( 4894 PWs) bands (ev): -5.8228 -5.8228 -4.8562 -4.8562 -4.3079 -4.3079 -3.0459 -3.0459 -2.4172 -2.4172 -0.4285 -0.4285 -0.3641 -0.3641 0.7971 0.7971 1.6528 1.6528 1.6886 1.6886 1.9579 1.9579 2.2837 2.2837 2.5387 2.5387 3.5004 3.5004 3.8198 3.8198 4.1974 4.1974 4.2999 4.2999 4.5229 4.5229 4.6892 4.6892 5.0288 5.0288 5.3251 5.3251 5.7697 5.7697 6.6388 6.6388 7.8277 7.8277 9.2661 9.2661 9.4200 9.4200 9.5719 9.5719 10.0003 10.0003 11.0182 11.0182 k = 0.5309 0.3635-0.2187 ( 4900 PWs) bands (ev): -5.8151 -5.8151 -4.8774 -4.8774 -4.2899 -4.2899 -3.0386 -3.0386 -2.4311 -2.4311 -0.4561 -0.4561 -0.3247 -0.3247 0.7335 0.7335 1.5984 1.5984 1.6837 1.6837 2.0255 2.0255 2.3592 2.3592 2.5115 2.5115 3.4540 3.4540 3.8229 3.8229 4.2115 4.2115 4.3640 4.3640 4.5421 4.5421 4.7052 4.7052 5.0254 5.0254 5.3400 5.3400 5.7405 5.7405 6.6182 6.6182 7.8167 7.8167 9.2542 9.2542 9.4085 9.4085 9.5860 9.5860 10.0166 10.0166 11.0103 11.0103 k = 0.5370 0.3677-0.2033 ( 4896 PWs) bands (ev): -5.8057 -5.8057 -4.9020 -4.9020 -4.2692 -4.2692 -3.0297 -3.0297 -2.4464 -2.4464 -0.4964 -0.4964 -0.2699 -0.2699 0.6645 0.6645 1.5263 1.5263 1.6970 1.6970 2.0993 2.0993 2.4356 2.4356 2.4794 2.4794 3.4068 3.4068 3.8296 3.8296 4.2280 4.2280 4.4264 4.4264 4.5690 4.5690 4.7243 4.7243 5.0212 5.0212 5.3582 5.3582 5.7044 5.7044 6.5956 6.5956 7.8021 7.8021 9.2413 9.2413 9.3970 9.3970 9.6007 9.6007 10.0340 10.0340 10.9992 10.9992 k = 0.5432 0.3720-0.1880 ( 4896 PWs) bands (ev): -5.7947 -5.7947 -4.9295 -4.9295 -4.2460 -4.2460 -3.0192 -3.0192 -2.4624 -2.4624 -0.5436 -0.5436 -0.2056 -0.2056 0.5919 0.5919 1.4533 1.4533 1.7105 1.7105 2.1773 2.1773 2.4429 2.4429 2.5127 2.5127 3.3610 3.3610 3.8395 3.8395 4.2464 4.2464 4.4805 4.4805 4.6079 4.6079 4.7462 4.7462 5.0162 5.0162 5.3798 5.3798 5.6612 5.6612 6.5722 6.5722 7.7837 7.7837 9.2281 9.2281 9.3857 9.3857 9.6156 9.6156 10.0514 10.0514 10.9843 10.9843 k = 0.5494 0.3762-0.1727 ( 4895 PWs) bands (ev): -5.7821 -5.7821 -4.9596 -4.9596 -4.2208 -4.2208 -3.0072 -3.0072 -2.4785 -2.4785 -0.5959 -0.5959 -0.1337 -0.1337 0.5173 0.5173 1.3805 1.3805 1.7222 1.7222 2.2581 2.2581 2.4026 2.4026 2.5905 2.5905 3.3181 3.3181 3.8523 3.8523 4.2665 4.2665 4.5218 4.5218 4.6619 4.6619 4.7706 4.7706 5.0105 5.0105 5.4049 5.4049 5.6110 5.6110 6.5492 6.5492 7.7608 7.7608 9.2151 9.2151 9.3746 9.3746 9.6305 9.6305 10.0679 10.0679 10.9653 10.9653 k = 0.5555 0.3804-0.1573 ( 4902 PWs) bands (ev): -5.7680 -5.7680 -4.9920 -4.9920 -4.1938 -4.1938 -2.9936 -2.9936 -2.4940 -2.4940 -0.6522 -0.6522 -0.0554 -0.0554 0.4415 0.4415 1.3084 1.3084 1.7305 1.7305 2.3407 2.3407 2.3592 2.3592 2.6691 2.6691 3.2791 3.2791 3.8681 3.8681 4.2881 4.2881 4.5523 4.5523 4.7275 4.7275 4.7971 4.7971 5.0039 5.0039 5.4332 5.4332 5.5541 5.5541 6.5277 6.5277 7.7331 7.7331 9.2029 9.2029 9.3636 9.3636 9.6455 9.6455 10.0827 10.0827 10.9419 10.9419 k = 0.5617 0.3847-0.1420 ( 4898 PWs) bands (ev): -5.7523 -5.7523 -5.0264 -5.0264 -4.1652 -4.1652 -2.9785 -2.9785 -2.5084 -2.5084 -0.7119 -0.7119 0.0283 0.0283 0.3652 0.3652 1.2375 1.2375 1.7346 1.7346 2.3128 2.3128 2.4241 2.4241 2.7483 2.7483 3.2448 3.2448 3.8870 3.8870 4.3110 4.3110 4.5762 4.5762 4.7988 4.7988 4.8253 4.8253 4.9966 4.9966 5.4649 5.4649 5.4909 5.4909 6.5087 6.5087 7.7003 7.7003 9.1917 9.1917 9.3521 9.3521 9.6605 9.6605 10.0953 10.0953 10.9143 10.9143 k = 0.5679 0.3889-0.1266 ( 4902 PWs) bands (ev): -5.7353 -5.7353 -5.0624 -5.0624 -4.1350 -4.1350 -2.9621 -2.9621 -2.5211 -2.5211 -0.7740 -0.7740 0.1161 0.1161 0.2891 0.2891 1.1683 1.1683 1.7336 1.7336 2.2642 2.2642 2.5078 2.5078 2.8279 2.8279 3.2156 3.2156 3.9089 3.9089 4.3351 4.3351 4.5955 4.5955 4.8548 4.8548 4.8722 4.8722 4.9886 4.9886 5.4223 5.4223 5.4999 5.4999 6.4928 6.4928 7.6622 7.6622 9.1820 9.1820 9.3398 9.3398 9.6757 9.6757 10.1052 10.1052 10.8832 10.8832 k = 0.5741 0.3931-0.1113 ( 4906 PWs) bands (ev): -5.7170 -5.7170 -5.0998 -5.0998 -4.1035 -4.1035 -2.9442 -2.9442 -2.5318 -2.5318 -0.8382 -0.8382 0.2063 0.2063 0.2139 0.2139 1.1018 1.1018 1.7271 1.7271 2.2138 2.2138 2.5911 2.5911 2.9076 2.9076 3.1917 3.1917 3.9342 3.9342 4.3602 4.3602 4.6105 4.6105 4.8854 4.8854 4.9453 4.9453 4.9802 4.9802 5.3504 5.3504 5.5379 5.5379 6.4806 6.4806 7.6185 7.6185 9.1741 9.1741 9.3258 9.3258 9.6913 9.6913 10.1120 10.1120 10.8494 10.8494 k = 0.5802 0.3973-0.0959 ( 4906 PWs) bands (ev): -5.6976 -5.6976 -5.1383 -5.1383 -4.0707 -4.0707 -2.9250 -2.9250 -2.5401 -2.5401 -0.9038 -0.9038 0.1388 0.1388 0.2980 0.2980 1.0394 1.0394 1.7150 1.7150 2.1618 2.1618 2.6736 2.6736 2.9867 2.9867 3.1731 3.1731 3.9630 3.9630 4.3864 4.3864 4.6204 4.6204 4.9163 4.9163 4.9708 4.9708 5.0162 5.0162 5.2781 5.2781 5.5786 5.5786 6.4721 6.4721 7.5692 7.5692 9.1680 9.1680 9.3096 9.3096 9.7077 9.7077 10.1155 10.1155 10.8143 10.8143 k = 0.5864 0.4016-0.0806 ( 4911 PWs) bands (ev): -5.6774 -5.6774 -5.1775 -5.1775 -4.0367 -4.0367 -2.9045 -2.9045 -2.5457 -2.5457 -0.9704 -0.9704 0.0653 0.0653 0.3864 0.3864 0.9842 0.9842 1.6974 1.6974 2.1087 2.1087 2.7549 2.7549 3.0648 3.0648 3.1594 3.1594 3.9955 3.9955 4.4136 4.4136 4.6232 4.6232 4.9444 4.9444 4.9649 4.9649 5.0758 5.0758 5.2154 5.2154 5.6217 5.6217 6.4675 6.4675 7.5147 7.5147 9.1641 9.1641 9.2902 9.2902 9.7251 9.7251 10.1156 10.1156 10.7791 10.7791 k = 0.5926 0.4058-0.0653 ( 4917 PWs) bands (ev): -5.6567 -5.6567 -5.2167 -5.2167 -4.0014 -4.0014 -2.8828 -2.8828 -2.5485 -2.5485 -1.0377 -1.0377 -0.0067 -0.0067 0.4653 0.4653 0.9426 0.9426 1.6747 1.6747 2.0548 2.0548 2.8345 2.8345 3.1393 3.1393 3.1521 3.1521 4.0319 4.0319 4.4418 4.4418 4.6166 4.6166 4.9462 4.9462 4.9851 4.9851 5.0836 5.0836 5.2062 5.2062 5.6667 5.6667 6.4666 6.4666 7.4550 7.4550 9.1622 9.1622 9.2669 9.2669 9.7441 9.7441 10.1122 10.1122 10.7454 10.7454 k = 0.5987 0.4100-0.0499 ( 4913 PWs) bands (ev): -5.6363 -5.6363 -5.2552 -5.2552 -3.9650 -3.9650 -2.8599 -2.8599 -2.5483 -2.5483 -1.1053 -1.1053 -0.0770 -0.0770 0.5220 0.5220 0.9266 0.9266 1.6475 1.6475 2.0002 2.0002 2.9120 2.9120 3.1443 3.1443 3.2155 3.2155 4.0723 4.0723 4.4710 4.4710 4.5975 4.5975 4.9366 4.9366 5.0168 5.0168 5.0360 5.0360 5.2578 5.2578 5.7131 5.7131 6.4690 6.4690 7.3908 7.3908 9.1625 9.1625 9.2393 9.2393 9.7650 9.7650 10.1055 10.1055 10.7143 10.7143 k = 0.6049 0.4142-0.0346 ( 4912 PWs) bands (ev): -5.6173 -5.6173 -5.2918 -5.2918 -3.9274 -3.9274 -2.8361 -2.8361 -2.5450 -2.5450 -1.1729 -1.1729 -0.1455 -0.1455 0.5420 0.5420 0.9505 0.9505 1.6165 1.6165 1.9454 1.9454 2.9870 2.9870 3.1426 3.1426 3.2850 3.2850 4.1167 4.1167 4.5011 4.5011 4.5633 4.5633 4.9260 4.9260 4.9865 4.9865 5.0496 5.0496 5.3200 5.3200 5.7603 5.7603 6.4742 6.4742 7.3225 7.3225 9.1644 9.1644 9.2077 9.2077 9.7883 9.7883 10.0957 10.0957 10.6868 10.6868 k = 0.6049 0.4142-0.0346 ( 4912 PWs) bands (ev): -5.6173 -5.6173 -5.2918 -5.2918 -3.9274 -3.9274 -2.8361 -2.8361 -2.5450 -2.5450 -1.1729 -1.1729 -0.1455 -0.1455 0.5420 0.5420 0.9505 0.9505 1.6165 1.6165 1.9454 1.9454 2.9870 2.9870 3.1426 3.1426 3.2850 3.2850 4.1167 4.1167 4.5011 4.5011 4.5633 4.5633 4.9260 4.9260 4.9865 4.9865 5.0496 5.0496 5.3200 5.3200 5.7603 5.7603 6.4742 6.4742 7.3225 7.3225 9.1644 9.1644 9.2077 9.2077 9.7883 9.7883 10.0957 10.0957 10.6868 10.6868 k = 0.5994 0.4105-0.0190 ( 4911 PWs) bands (ev): -5.6009 -5.6009 -5.3191 -5.3191 -3.8839 -3.8839 -2.8197 -2.8197 -2.5454 -2.5454 -1.2383 -1.2383 -0.2182 -0.2182 0.4662 0.4662 0.9634 0.9634 1.6412 1.6412 1.9609 1.9609 3.0479 3.0479 3.2067 3.2067 3.3200 3.3200 4.1664 4.1664 4.4845 4.4845 4.5477 4.5477 4.9261 4.9261 4.9732 4.9732 5.0929 5.0929 5.3409 5.3409 5.7940 5.7940 6.5042 6.5042 7.2698 7.2698 9.1701 9.1701 9.1873 9.1873 9.7950 9.7950 10.0831 10.0831 10.6469 10.6469 k = 0.5939 0.4067-0.0035 ( 4919 PWs) bands (ev): -5.5864 -5.5864 -5.3454 -5.3454 -3.8357 -3.8357 -2.8024 -2.8024 -2.5434 -2.5434 -1.3054 -1.3054 -0.2898 -0.2898 0.3640 0.3640 1.0066 1.0066 1.6671 1.6671 1.9770 1.9770 3.1025 3.1025 3.2666 3.2666 3.3399 3.3399 4.2195 4.2195 4.4658 4.4658 4.5210 4.5210 4.9293 4.9293 4.9816 4.9816 5.1409 5.1409 5.3610 5.3610 5.8280 5.8280 6.5377 6.5377 7.2154 7.2154 9.1491 9.1491 9.1845 9.1845 9.8061 9.8061 10.0716 10.0716 10.6060 10.6060 k = 0.5883 0.4029 0.0121 ( 4925 PWs) bands (ev): -5.5737 -5.5737 -5.3706 -5.3706 -3.7832 -3.7832 -2.7842 -2.7842 -2.5389 -2.5389 -1.3741 -1.3741 -0.3598 -0.3598 0.2508 0.2508 1.0650 1.0650 1.6944 1.6944 1.9936 1.9936 3.1501 3.1501 3.3101 3.3101 3.3560 3.3560 4.2780 4.2780 4.4470 4.4470 4.4831 4.4831 4.9365 4.9365 5.0101 5.0101 5.1909 5.1909 5.3809 5.3809 5.8620 5.8620 6.5734 6.5734 7.1595 7.1595 9.1228 9.1228 9.1786 9.1786 9.8216 9.8216 10.0612 10.0612 10.5641 10.5641 k = 0.5828 0.3991 0.0276 ( 4925 PWs) bands (ev): -5.5627 -5.5627 -5.3946 -5.3946 -3.7266 -3.7266 -2.7651 -2.7651 -2.5321 -2.5321 -1.4439 -1.4439 -0.4281 -0.4281 0.1339 0.1339 1.1315 1.1315 1.7228 1.7228 2.0108 2.0108 3.1900 3.1900 3.3094 3.3094 3.3966 3.3966 4.3390 4.3390 4.4296 4.4296 4.4410 4.4410 4.9482 4.9482 5.0535 5.0535 5.2410 5.2410 5.4010 5.4010 5.8960 5.8960 6.6102 6.6102 7.1027 7.1027 9.0961 9.0961 9.1658 9.1658 9.8415 9.8415 10.0516 10.0516 10.5209 10.5209 k = 0.5773 0.3953 0.0432 ( 4924 PWs) bands (ev): -5.5533 -5.5533 -5.4173 -5.4173 -3.6662 -3.6662 -2.7455 -2.7455 -2.5229 -2.5229 -1.5147 -1.5147 -0.4944 -0.4944 0.0166 0.0166 1.2029 1.2029 1.7523 1.7523 2.0284 2.0284 3.2218 3.2218 3.2848 3.2848 3.4425 3.4425 4.3628 4.3628 4.4142 4.4142 4.4390 4.4390 4.9647 4.9647 5.1054 5.1054 5.2898 5.2898 5.4224 5.4224 5.9300 5.9300 6.6470 6.6470 7.0454 7.0454 9.0695 9.0695 9.1469 9.1469 9.8660 9.8660 10.0429 10.0429 10.4765 10.4765 k = 0.5718 0.3915 0.0587 ( 4926 PWs) bands (ev): -5.5452 -5.5452 -5.4387 -5.4387 -3.6023 -3.6023 -2.7254 -2.7254 -2.5116 -2.5116 -1.5864 -1.5864 -0.5583 -0.5583 -0.0991 -0.0991 1.2776 1.2776 1.7827 1.7827 2.0462 2.0462 3.2418 3.2418 3.2524 3.2524 3.4814 3.4814 4.3248 4.3248 4.4011 4.4011 4.5047 4.5047 4.9862 4.9862 5.1604 5.1604 5.3362 5.3362 5.4465 5.4465 5.9637 5.9637 6.6827 6.6827 6.9882 6.9882 9.0435 9.0435 9.1233 9.1233 9.8950 9.8950 10.0348 10.0348 10.4309 10.4309 k = 0.5663 0.3878 0.0743 ( 4924 PWs) bands (ev): -5.5384 -5.5384 -5.4587 -5.4587 -3.5351 -3.5351 -2.7050 -2.7050 -2.4982 -2.4982 -1.6588 -1.6588 -0.6196 -0.6196 -0.2122 -0.2122 1.3547 1.3547 1.8140 1.8140 2.0643 2.0643 3.2029 3.2029 3.2634 3.2634 3.5092 3.5092 4.2850 4.2850 4.3902 4.3902 4.5813 4.5813 5.0123 5.0123 5.2139 5.2139 5.3796 5.3796 5.4751 5.4751 5.9970 5.9970 6.7153 6.7153 6.9324 6.9324 9.0181 9.0181 9.0962 9.0962 9.9283 9.9283 10.0273 10.0273 10.3843 10.3843 k = 0.5607 0.3840 0.0898 ( 4920 PWs) bands (ev): -5.5328 -5.5328 -5.4772 -5.4772 -3.4651 -3.4651 -2.6845 -2.6845 -2.4830 -2.4830 -1.7319 -1.7319 -0.6780 -0.6780 -0.3216 -0.3216 1.4336 1.4336 1.8458 1.8458 2.0824 2.0824 3.1530 3.1530 3.2730 3.2730 3.5228 3.5228 4.2543 4.2543 4.3813 4.3813 4.6597 4.6597 5.0427 5.0427 5.2616 5.2616 5.4193 5.4193 5.5105 5.5105 6.0297 6.0297 6.7409 6.7409 6.8814 6.8814 8.9936 8.9936 9.0669 9.0669 9.9658 9.9658 10.0203 10.0203 10.3373 10.3373 k = 0.5552 0.3802 0.1054 ( 4919 PWs) bands (ev): -5.5283 -5.5283 -5.4940 -5.4940 -3.3925 -3.3925 -2.6643 -2.6643 -2.4661 -2.4661 -1.8055 -1.8055 -0.7331 -0.7331 -0.4267 -0.4267 1.5138 1.5138 1.8780 1.8780 2.1003 2.1003 3.0988 3.0988 3.2768 3.2768 3.5206 3.5206 4.2363 4.2363 4.3740 4.3740 4.7378 4.7378 5.0766 5.0766 5.3005 5.3005 5.4550 5.4550 5.5544 5.5544 6.0616 6.0616 6.7464 6.7464 6.8481 6.8481 8.9703 8.9703 9.0365 9.0365 10.0072 10.0072 10.0139 10.0139 10.2903 10.2903 k = 0.5497 0.3764 0.1209 ( 4920 PWs) bands (ev): -5.5254 -5.5254 -5.5086 -5.5086 -3.3176 -3.3176 -2.6445 -2.6445 -2.4479 -2.4479 -1.8798 -1.8798 -0.7847 -0.7847 -0.5265 -0.5265 1.5948 1.5948 1.9103 1.9103 2.1177 2.1177 3.0415 3.0415 3.2758 3.2758 3.5029 3.5029 4.2313 4.2313 4.3681 4.3681 4.8140 4.8140 5.1133 5.1133 5.3298 5.3298 5.4862 5.4862 5.6066 5.6066 6.0922 6.0922 6.7156 6.7156 6.8480 6.8480 8.9483 8.9483 9.0062 9.0062 10.0080 10.0080 10.0517 10.0517 10.2446 10.2446 k = 0.5442 0.3726 0.1365 ( 4919 PWs) bands (ev): -5.5281 -5.5281 -5.5167 -5.5167 -3.2407 -3.2407 -2.6254 -2.6254 -2.4289 -2.4289 -1.9547 -1.9547 -0.8323 -0.8323 -0.6203 -0.6203 1.6763 1.6763 1.9423 1.9423 2.1346 2.1346 2.9819 2.9819 3.2712 3.2712 3.4724 3.4724 4.2375 4.2375 4.3632 4.3632 4.8871 4.8871 5.1514 5.1514 5.3506 5.3506 5.5129 5.5129 5.6652 5.6652 6.1213 6.1213 6.6654 6.6654 6.8644 6.8644 8.9277 8.9277 8.9768 8.9768 10.0027 10.0027 10.0968 10.0968 10.2030 10.2030 k = 0.5387 0.3689 0.1520 ( 4924 PWs) bands (ev): -5.5384 -5.5384 -5.5163 -5.5163 -3.1623 -3.1623 -2.6074 -2.6074 -2.4094 -2.4094 -2.0301 -2.0301 -0.8757 -0.8757 -0.7070 -0.7070 1.7575 1.7575 1.9736 1.9736 2.1504 2.1504 2.9207 2.9207 3.2640 3.2640 3.4333 3.4333 4.2514 4.2514 4.3591 4.3591 4.9562 4.9562 5.1900 5.1900 5.3646 5.3646 5.5349 5.5349 5.7276 5.7276 6.1484 6.1484 6.6096 6.6096 6.8831 6.8831 8.9089 8.9089 8.9493 8.9493 9.9979 9.9979 10.1244 10.1244 10.1837 10.1837 k = 0.5331 0.3651 0.1676 ( 4932 PWs) bands (ev): -5.5488 -5.5488 -5.5147 -5.5147 -3.0826 -3.0826 -2.5908 -2.5908 -2.3901 -2.3901 -2.1061 -2.1061 -0.9143 -0.9143 -0.7858 -0.7858 1.8378 1.8378 2.0040 2.0040 2.1651 2.1651 2.8583 2.8583 3.2554 3.2554 3.3898 3.3898 4.2697 4.2697 4.3557 4.3557 5.0203 5.0203 5.2276 5.2276 5.3733 5.3733 5.5524 5.5524 5.7920 5.7920 6.1730 6.1730 6.5520 6.5520 6.9002 6.9002 8.8919 8.8919 8.9243 8.9243 9.9937 9.9937 10.1019 10.1019 10.2195 10.2195 k = 0.5276 0.3613 0.1831 ( 4932 PWs) bands (ev): -5.5578 -5.5578 -5.5132 -5.5132 -3.0020 -3.0020 -2.5760 -2.5760 -2.3721 -2.3721 -2.1823 -2.1823 -0.9479 -0.9479 -0.8554 -0.8554 1.9156 1.9156 2.0332 2.0332 2.1782 2.1782 2.7952 2.7952 3.2462 3.2462 3.3460 3.3460 4.2893 4.2893 4.3529 4.3529 5.0787 5.0787 5.2631 5.2631 5.3776 5.3776 5.5655 5.5655 5.8568 5.8568 6.1949 6.1949 6.4940 6.4940 6.9148 6.9148 8.8769 8.8769 8.9026 8.9026 9.9900 9.9900 10.0691 10.0691 10.2703 10.2703 k = 0.5221 0.3575 0.1986 ( 4927 PWs) bands (ev): -5.5653 -5.5653 -5.5121 -5.5121 -2.9209 -2.9209 -2.5632 -2.5632 -2.3569 -2.3569 -2.2579 -2.2579 -0.9761 -0.9761 -0.9147 -0.9147 1.9875 1.9875 2.0627 2.0627 2.1894 2.1894 2.7325 2.7325 3.2374 3.2374 3.3052 3.3052 4.3080 4.3080 4.3506 4.3506 5.1304 5.1304 5.2949 5.2949 5.3780 5.3780 5.5747 5.5747 5.9210 5.9210 6.2134 6.2134 6.4359 6.4359 6.9266 6.9266 8.8639 8.8639 8.8846 8.8846 9.9869 9.9869 10.0391 10.0391 10.3215 10.3215 k = 0.5166 0.3537 0.2142 ( 4920 PWs) bands (ev): -5.5711 -5.5711 -5.5112 -5.5112 -2.8399 -2.8399 -2.5529 -2.5529 -2.3585 -2.3585 -2.3196 -2.3196 -0.9987 -0.9987 -0.9622 -0.9622 2.0430 2.0430 2.1000 2.1000 2.1985 2.1985 2.6717 2.6717 3.2294 3.2294 3.2705 3.2705 4.3240 4.3240 4.3489 4.3489 5.1747 5.1747 5.3216 5.3216 5.3753 5.3753 5.5804 5.5804 5.9836 5.9836 6.2283 6.2283 6.3784 6.3784 6.9355 6.9355 8.8531 8.8531 8.8709 8.8709 9.9844 9.9844 10.0144 10.0144 10.3689 10.3689 k = 0.5110 0.3500 0.2297 ( 4918 PWs) bands (ev): -5.5753 -5.5753 -5.5106 -5.5106 -2.7599 -2.7599 -2.5454 -2.5454 -2.4215 -2.4215 -2.3228 -2.3228 -1.0157 -1.0157 -0.9966 -0.9966 2.0723 2.0723 2.1499 2.1499 2.2052 2.2052 2.6166 2.6166 3.2224 3.2224 3.2448 3.2448 4.3362 4.3362 4.3477 4.3477 5.2100 5.2100 5.3412 5.3412 5.3710 5.3710 5.5836 5.5836 6.0432 6.0432 6.2392 6.2392 6.3226 6.3226 6.9417 6.9417 8.8449 8.8449 8.8613 8.8613 9.9825 9.9825 9.9961 9.9961 10.4082 10.4082 k = 0.5055 0.3462 0.2453 ( 4910 PWs) bands (ev): -5.5778 -5.5778 -5.5103 -5.5103 -2.6842 -2.6842 -2.5407 -2.5407 -2.4939 -2.4939 -2.3174 -2.3174 -1.0276 -1.0276 -1.0161 -1.0161 2.0859 2.0859 2.1933 2.1933 2.2094 2.2094 2.5746 2.5746 3.2161 3.2161 3.2305 3.2305 4.3434 4.3434 4.3473 4.3473 5.2339 5.2339 5.3510 5.3510 5.3685 5.3685 5.5850 5.5850 6.0953 6.0953 6.2458 6.2458 6.2730 6.2730 6.9453 6.9453 8.8396 8.8396 8.8557 8.8557 9.9814 9.9814 9.9849 9.9849 10.4345 10.4345 k = 0.5000 0.3424 0.2608 ( 4900 PWs) bands (ev): -5.5787 -5.5787 -5.5102 -5.5102 -2.6381 -2.6381 -2.5397 -2.5397 -2.5385 -2.5385 -2.3153 -2.3153 -1.0325 -1.0325 -1.0217 -1.0217 2.0901 2.0901 2.2102 2.2102 2.2113 2.2113 2.5580 2.5580 3.2130 3.2130 3.2266 3.2266 4.3452 4.3452 4.3479 4.3479 5.2426 5.2426 5.3523 5.3523 5.3690 5.3690 5.5854 5.5854 6.1211 6.1211 6.2479 6.2479 6.2481 6.2481 6.9465 6.9465 8.8378 8.8378 8.8539 8.8539 9.9807 9.9807 9.9814 9.9814 10.4439 10.4439 k = 0.5000-0.1939-0.1477 ( 4888 PWs) bands (ev): -6.0206 -6.0206 -5.4519 -5.4519 -3.0648 -3.0648 -2.3746 -2.3746 -1.9443 -1.9443 -1.4241 -1.4241 -0.2761 -0.2761 0.2523 0.2523 0.7119 0.7119 1.2059 1.2059 1.9611 1.9611 2.5815 2.5815 2.9036 2.9036 3.0148 3.0148 3.6256 3.6256 4.4039 4.4039 4.4119 4.4119 4.5513 4.5513 5.0531 5.0531 5.3708 5.3708 5.7076 5.7076 5.7484 5.7484 6.4224 6.4224 6.9684 6.9684 8.5768 8.5768 8.8740 8.8740 10.1541 10.1541 10.8633 10.8633 11.6141 11.6141 k = 0.5078-0.1812-0.1380 ( 4892 PWs) bands (ev): -6.0198 -6.0198 -5.4513 -5.4513 -3.0689 -3.0689 -2.3761 -2.3761 -1.9402 -1.9402 -1.4305 -1.4305 -0.2741 -0.2741 0.2597 0.2597 0.7120 0.7120 1.2022 1.2022 1.9681 1.9681 2.5836 2.5836 2.8956 2.8956 3.0097 3.0097 3.6285 3.6285 4.4020 4.4020 4.4121 4.4121 4.5540 4.5540 5.0565 5.0565 5.3736 5.3736 5.7093 5.7093 5.7482 5.7482 6.4243 6.4243 6.9646 6.9646 8.5751 8.5751 8.8735 8.8735 10.1524 10.1524 10.8649 10.8649 11.6027 11.6027 k = 0.5155-0.1685-0.1284 ( 4883 PWs) bands (ev): -6.0174 -6.0174 -5.4496 -5.4496 -3.0809 -3.0809 -2.3807 -2.3807 -1.9280 -1.9280 -1.4492 -1.4492 -0.2681 -0.2681 0.2817 0.2817 0.7126 0.7126 1.1917 1.1917 1.9887 1.9887 2.5898 2.5898 2.8721 2.8721 2.9947 2.9947 3.6367 3.6367 4.3970 4.3970 4.4126 4.4126 4.5615 4.5615 5.0668 5.0668 5.3819 5.3819 5.7144 5.7144 5.7478 5.7478 6.4300 6.4300 6.9532 6.9532 8.5700 8.5700 8.8722 8.8722 10.1474 10.1474 10.8694 10.8694 11.5698 11.5698 k = 0.5233-0.1558-0.1187 ( 4887 PWs) bands (ev): -6.0134 -6.0134 -5.4468 -5.4468 -3.1003 -3.1003 -2.3881 -2.3881 -1.9084 -1.9084 -1.4793 -1.4793 -0.2584 -0.2584 0.3169 0.3169 0.7137 0.7137 1.1756 1.1756 2.0216 2.0216 2.5999 2.5999 2.8349 2.8349 2.9704 2.9704 3.6489 3.6489 4.3898 4.3898 4.4133 4.4133 4.5731 4.5731 5.0834 5.0834 5.3954 5.3954 5.7224 5.7224 5.7472 5.7472 6.4395 6.4395 6.9341 6.9341 8.5619 8.5619 8.8703 8.8703 10.1396 10.1396 10.8767 10.8767 11.5186 11.5186 k = 0.5311-0.1432-0.1091 ( 4893 PWs) bands (ev): -6.0078 -6.0078 -5.4428 -5.4428 -3.1263 -3.1263 -2.3982 -2.3982 -1.8822 -1.8822 -1.5189 -1.5189 -0.2454 -0.2454 0.3636 0.3636 0.7158 0.7158 1.1557 1.1557 2.0650 2.0650 2.6137 2.6137 2.7859 2.7859 2.9381 2.9381 3.6633 3.6633 4.3814 4.3814 4.4141 4.4141 4.5875 4.5875 5.1059 5.1059 5.4137 5.4137 5.7323 5.7323 5.7462 5.7462 6.4530 6.4530 6.9073 6.9073 8.5515 8.5515 8.8682 8.8682 10.1297 10.1297 10.8864 10.8864 11.4533 11.4533 k = 0.5389-0.1305-0.0994 ( 4894 PWs) bands (ev): -6.0005 -6.0005 -5.4379 -5.4379 -3.1580 -3.1580 -2.4109 -2.4109 -1.8506 -1.8506 -1.5664 -1.5664 -0.2295 -0.2295 0.4198 0.4198 0.7194 0.7194 1.1337 1.1337 2.1171 2.1171 2.6310 2.6310 2.7273 2.7273 2.8991 2.8991 3.6783 3.6783 4.3728 4.3728 4.4152 4.4152 4.6039 4.6039 5.1333 5.1333 5.4361 5.4361 5.7431 5.7431 5.7452 5.7452 6.4707 6.4707 6.8728 6.8728 8.5397 8.5397 8.8664 8.8664 10.1185 10.1185 10.8981 10.8981 11.3778 11.3778 k = 0.5466-0.1178-0.0897 ( 4897 PWs) bands (ev): -5.9918 -5.9918 -5.4319 -5.4319 -3.1943 -3.1943 -2.4259 -2.4259 -1.8146 -1.8146 -1.6197 -1.6197 -0.2116 -0.2116 0.4833 0.4833 0.7250 0.7250 1.1111 1.1111 2.1762 2.1762 2.6502 2.6502 2.6621 2.6621 2.8551 2.8551 3.6925 3.6925 4.3648 4.3648 4.4166 4.4166 4.6218 4.6218 5.1646 5.1646 5.4620 5.4620 5.7430 5.7430 5.7548 5.7548 6.4927 6.4927 6.8308 6.8308 8.5275 8.5275 8.8654 8.8654 10.1070 10.1070 10.9116 10.9116 11.2952 11.2952 k = 0.5544-0.1051-0.0801 ( 4899 PWs) bands (ev): -5.9814 -5.9814 -5.4250 -5.4250 -3.2345 -3.2345 -2.4430 -2.4430 -1.7758 -1.7758 -1.6767 -1.6767 -0.1923 -0.1923 0.5520 0.5520 0.7334 0.7334 1.0893 1.0893 2.2405 2.2405 2.5882 2.5882 2.6750 2.6750 2.8079 2.8079 3.7050 3.7050 4.3577 4.3577 4.4186 4.4186 4.6406 4.6406 5.1984 5.1984 5.4902 5.4902 5.7409 5.7409 5.7653 5.7653 6.5192 6.5192 6.7813 6.7813 8.5163 8.5163 8.8659 8.8659 10.0957 10.0957 10.9265 10.9265 11.2081 11.2081 k = 0.5622-0.0924-0.0704 ( 4899 PWs) bands (ev): -5.9696 -5.9696 -5.4172 -5.4172 -3.2776 -3.2776 -2.4617 -2.4617 -1.7498 -1.7498 -1.7212 -1.7212 -0.1726 -0.1726 0.6239 0.6239 0.7453 0.7453 1.0694 1.0694 2.3081 2.3081 2.5112 2.5112 2.7003 2.7003 2.7603 2.7603 3.7150 3.7150 4.3522 4.3522 4.4216 4.4216 4.6600 4.6600 5.2331 5.2331 5.5195 5.5195 5.7381 5.7381 5.7749 5.7749 6.5500 6.5500 6.7246 6.7246 8.5074 8.5074 8.8683 8.8683 10.0854 10.0854 10.9425 10.9425 11.1183 11.1183 k = 0.5699-0.0798-0.0608 ( 4903 PWs) bands (ev): -5.9563 -5.9563 -5.4087 -5.4087 -3.3230 -3.3230 -2.4819 -2.4819 -1.8034 -1.8034 -1.6861 -1.6861 -0.1532 -0.1532 0.6968 0.6968 0.7616 0.7616 1.0523 1.0523 2.3740 2.3740 2.4328 2.4328 2.7153 2.7153 2.7280 2.7280 3.7223 3.7223 4.3485 4.3485 4.4261 4.4261 4.6797 4.6797 5.2672 5.2672 5.5478 5.5478 5.7345 5.7345 5.7841 5.7841 6.5849 6.5849 6.6612 6.6612 8.5020 8.5020 8.8730 8.8730 10.0764 10.0764 10.9593 10.9593 11.0271 11.0271 k = 0.5777-0.0671-0.0511 ( 4894 PWs) bands (ev): -5.9415 -5.9415 -5.3995 -5.3995 -3.3700 -3.3700 -2.5032 -2.5032 -1.8656 -1.8656 -1.6422 -1.6422 -0.1351 -0.1351 0.7687 0.7687 0.7831 0.7831 1.0388 1.0388 2.3434 2.3434 2.4420 2.4420 2.6822 2.6822 2.7561 2.7561 3.7265 3.7265 4.3470 4.3470 4.4323 4.4323 4.6995 4.6995 5.2988 5.2988 5.5726 5.5726 5.7299 5.7299 5.7949 5.7949 6.5914 6.5914 6.6237 6.6237 8.5015 8.5015 8.8802 8.8802 10.0692 10.0692 10.9355 10.9355 10.9766 10.9766 k = 0.5855-0.0544-0.0414 ( 4890 PWs) bands (ev): -5.9254 -5.9254 -5.3899 -5.3899 -3.4180 -3.4180 -2.5254 -2.5254 -1.9280 -1.9280 -1.5977 -1.5977 -0.1190 -0.1190 0.8102 0.8102 0.8373 0.8373 1.0300 1.0300 2.2588 2.2588 2.4810 2.4810 2.6771 2.6771 2.7853 2.7853 3.7279 3.7279 4.3480 4.3480 4.4407 4.4407 4.7193 4.7193 5.3255 5.3255 5.5909 5.5909 5.7241 5.7241 5.8103 5.8103 6.5165 6.5165 6.6654 6.6654 8.5071 8.5071 8.8903 8.8903 10.0638 10.0638 10.8444 10.8444 10.9942 10.9942 k = 0.5933-0.0417-0.0318 ( 4892 PWs) bands (ev): -5.9079 -5.9079 -5.3799 -5.3799 -3.4665 -3.4665 -2.5482 -2.5482 -1.9894 -1.9894 -1.5536 -1.5536 -0.1055 -0.1055 0.8438 0.8438 0.8991 0.8991 1.0270 1.0270 2.1720 2.1720 2.4844 2.4844 2.7163 2.7163 2.8146 2.8146 3.7266 3.7266 4.3518 4.3518 4.4513 4.4513 4.7388 4.7388 5.3445 5.3445 5.6009 5.6009 5.7165 5.7165 5.8330 5.8330 6.4371 6.4371 6.7096 6.7096 8.5194 8.5194 8.9031 8.9031 10.0604 10.0604 10.7542 10.7542 11.0117 11.0117 k = 0.6010-0.0290-0.0221 ( 4896 PWs) bands (ev): -5.8892 -5.8892 -5.3698 -5.3698 -3.5151 -3.5151 -2.5713 -2.5713 -2.0492 -2.0492 -1.5105 -1.5105 -0.0949 -0.0949 0.8839 0.8839 0.9496 0.9496 1.0326 1.0326 2.0843 2.0843 2.4679 2.4679 2.7850 2.7850 2.8436 2.8436 3.7231 3.7231 4.3586 4.3586 4.4643 4.4643 4.7579 4.7579 5.3525 5.3525 5.6041 5.6041 5.7063 5.7063 5.8639 5.8639 6.3546 6.3546 6.7556 6.7556 8.5391 8.5391 8.9187 8.9187 10.0589 10.0589 10.6656 10.6656 11.0288 11.0288 k = 0.6088-0.0163-0.0125 ( 4894 PWs) bands (ev): -5.8693 -5.8693 -5.3596 -5.3596 -3.5632 -3.5632 -2.5946 -2.5946 -2.1068 -2.1068 -1.4689 -1.4689 -0.0874 -0.0874 0.9307 0.9307 0.9828 0.9828 1.0507 1.0507 1.9964 1.9964 2.4508 2.4508 2.8641 2.8641 2.8731 2.8731 3.7180 3.7180 4.3686 4.3686 4.4796 4.4796 4.7764 4.7764 5.3460 5.3460 5.6043 5.6043 5.6926 5.6926 5.9016 5.9016 6.2708 6.2708 6.8026 6.8026 8.5665 8.5665 8.9368 8.9368 10.0593 10.0593 10.5788 10.5788 11.0451 11.0451 k = 0.6166-0.0037-0.0028 ( 4889 PWs) bands (ev): -5.8482 -5.8482 -5.3498 -5.3498 -3.6104 -3.6104 -2.6178 -2.6178 -2.1619 -2.1619 -1.4293 -1.4293 -0.0830 -0.0830 0.9840 0.9840 1.0009 1.0009 1.0768 1.0768 1.9086 1.9086 2.4419 2.4419 2.8976 2.8976 2.9514 2.9514 3.7122 3.7122 4.3821 4.3821 4.4969 4.4969 4.7942 4.7942 5.3237 5.3237 5.6043 5.6043 5.6737 5.6737 5.9441 5.9441 6.1879 6.1879 6.8500 6.8500 8.6012 8.6012 8.9572 8.9572 10.0612 10.0612 10.4942 10.4942 11.0601 11.0601 k = 0.6243 0.0090 0.0069 ( 4887 PWs) bands (ev): -5.8263 -5.8263 -5.3404 -5.3404 -3.6562 -3.6562 -2.6407 -2.6407 -2.2141 -2.2141 -1.3921 -1.3921 -0.0814 -0.0814 1.0123 1.0123 1.0435 1.0435 1.1010 1.1010 1.8214 1.8214 2.4452 2.4452 2.9223 2.9223 3.0375 3.0375 3.7070 3.7070 4.3989 4.3989 4.5160 4.5160 4.8111 4.8111 5.2867 5.2867 5.6048 5.6048 5.6472 5.6472 5.9899 5.9899 6.1092 6.1092 6.8972 6.8972 8.6429 8.6429 8.9795 8.9795 10.0645 10.0645 10.4122 10.4122 11.0735 11.0735 k = 0.6321 0.0217 0.0165 ( 4894 PWs) bands (ev): -5.8034 -5.8034 -5.3317 -5.3317 -3.7002 -3.7002 -2.6632 -2.6632 -2.2631 -2.2631 -1.3575 -1.3575 -0.0822 -0.0822 1.0178 1.0178 1.1086 1.1086 1.1216 1.1216 1.7349 1.7349 2.4625 2.4625 2.9445 2.9445 3.1217 3.1217 3.7042 3.7042 4.4192 4.4192 4.5364 4.5364 4.8270 4.8270 5.2380 5.2380 5.6041 5.6041 5.6105 5.6105 6.0375 6.0375 6.0383 6.0383 6.9439 6.9439 8.6906 8.6906 9.0033 9.0033 10.0689 10.0689 10.3330 10.3330 11.0852 11.0852 k = 0.6399 0.0344 0.0262 ( 4894 PWs) bands (ev): -5.7800 -5.7800 -5.3241 -5.3241 -3.7417 -3.7417 -2.6851 -2.6851 -2.3086 -2.3086 -1.3257 -1.3257 -0.0851 -0.0851 1.0132 1.0132 1.1430 1.1430 1.1790 1.1790 1.6496 1.6496 2.4942 2.4942 2.9640 2.9640 3.2005 3.2005 3.7068 3.7068 4.4427 4.4427 4.5572 4.5572 4.8415 4.8415 5.1812 5.1812 5.5606 5.5606 5.6006 5.6006 5.9782 5.9782 6.0867 6.0867 6.9898 6.9898 8.7433 8.7433 9.0281 9.0281 10.0739 10.0739 10.2571 10.2571 11.0949 11.0949 k = 0.6477 0.0471 0.0359 ( 4888 PWs) bands (ev): -5.7561 -5.7561 -5.3177 -5.3177 -3.7803 -3.7803 -2.7062 -2.7062 -2.3506 -2.3506 -1.2970 -1.2970 -0.0897 -0.0897 0.9946 0.9946 1.1707 1.1707 1.2539 1.2539 1.5656 1.5656 2.5390 2.5390 2.9804 2.9804 3.2691 3.2691 3.7190 3.7190 4.4689 4.4689 4.5773 4.5773 4.8547 4.8547 5.1201 5.1201 5.4976 5.4976 5.5926 5.5926 5.9308 5.9308 6.1363 6.1363 7.0345 7.0345 8.7994 8.7994 9.0534 9.0534 10.0792 10.0792 10.1847 10.1847 11.0896 11.0896 k = 0.6554 0.0597 0.0455 ( 4897 PWs) bands (ev): -5.7321 -5.7321 -5.3126 -5.3126 -3.8154 -3.8154 -2.7264 -2.7264 -2.3887 -2.3887 -1.2713 -1.2713 -0.0956 -0.0956 0.9621 0.9621 1.2060 1.2060 1.3329 1.3329 1.4832 1.4832 2.5953 2.5953 2.9936 2.9936 3.3220 3.3220 3.7458 3.7458 4.4971 4.4971 4.5948 4.5948 4.8663 4.8663 5.0589 5.0589 5.4238 5.4238 5.5790 5.5790 5.8948 5.8948 6.1858 6.1858 7.0778 7.0778 8.8575 8.8575 9.0786 9.0786 10.0844 10.0844 10.1163 10.1163 11.0116 11.0116 k = 0.6632 0.0724 0.0552 ( 4901 PWs) bands (ev): -5.7083 -5.7083 -5.3090 -5.3090 -3.8465 -3.8465 -2.7457 -2.7457 -2.4231 -2.4231 -1.2487 -1.2487 -0.1023 -0.1023 0.9183 0.9183 1.2483 1.2483 1.4026 1.4026 1.4153 1.4153 2.6609 2.6609 3.0034 3.0034 3.3552 3.3552 3.7901 3.7901 4.5260 4.5260 4.6065 4.6065 4.8760 4.8760 5.0028 5.0028 5.3437 5.3437 5.5594 5.5594 5.8673 5.8673 6.2346 6.2346 7.1197 7.1197 8.9157 8.9157 9.1030 9.1030 10.0524 10.0524 10.0892 10.0892 10.9408 10.9408 k = 0.6710 0.0851 0.0648 ( 4912 PWs) bands (ev): -5.6854 -5.6854 -5.3068 -5.3068 -3.8732 -3.8732 -2.7639 -2.7639 -2.4535 -2.4535 -1.2291 -1.2291 -0.1096 -0.1096 0.8658 0.8658 1.2913 1.2913 1.3294 1.3294 1.5005 1.5005 2.7336 2.7336 3.0097 3.0097 3.3694 3.3694 3.8502 3.8502 4.5535 4.5535 4.6080 4.6080 4.8838 4.8838 4.9587 4.9587 5.2628 5.2628 5.5334 5.5334 5.8455 5.8455 6.2821 6.2821 7.1597 7.1597 8.9722 8.9722 9.1262 9.1262 9.9935 9.9935 10.0931 10.0931 10.8777 10.8777 k = 0.6787 0.0978 0.0745 ( 4912 PWs) bands (ev): -5.6640 -5.6640 -5.3055 -5.3055 -3.8949 -3.8949 -2.7809 -2.7809 -2.4799 -2.4799 -1.2125 -1.2125 -0.1172 -0.1172 0.8071 0.8071 1.2415 1.2415 1.3564 1.3564 1.5879 1.5879 2.8115 2.8115 3.0124 3.0124 3.3688 3.3688 3.9199 3.9199 4.5759 4.5759 4.5959 4.5959 4.8898 4.8898 4.9330 4.9330 5.1870 5.1870 5.5013 5.5013 5.8270 5.8270 6.3276 6.3276 7.1977 7.1977 9.0250 9.0250 9.1474 9.1474 9.9401 9.9401 10.0959 10.0959 10.8226 10.8226 k = 0.6865 0.1105 0.0842 ( 4912 PWs) bands (ev): -5.6451 -5.6451 -5.3046 -5.3046 -3.9114 -3.9114 -2.7967 -2.7967 -2.5022 -2.5022 -1.1987 -1.1987 -0.1247 -0.1247 0.7440 0.7440 1.1665 1.1665 1.4153 1.4153 1.6769 1.6769 2.8929 2.8929 3.0114 3.0114 3.3576 3.3576 3.9913 3.9913 4.5724 4.5724 4.5874 4.5874 4.8951 4.8951 4.9275 4.9275 5.1229 5.1229 5.4631 5.4631 5.8102 5.8102 6.3704 6.3704 7.2334 7.2334 9.0722 9.0722 9.1663 9.1663 9.8926 9.8926 10.0976 10.0976 10.7758 10.7758 k = 0.6943 0.1231 0.0938 ( 4911 PWs) bands (ev): -5.6301 -5.6301 -5.3029 -5.3029 -3.9224 -3.9224 -2.8112 -2.8112 -2.5205 -2.5205 -1.1876 -1.1876 -0.1321 -0.1321 0.6781 0.6781 1.0927 1.0927 1.4791 1.4791 1.7667 1.7667 2.9762 2.9762 3.0070 3.0070 3.3388 3.3388 4.0551 4.0551 4.5489 4.5489 4.5805 4.5805 4.9022 4.9022 4.9384 4.9384 5.0769 5.0769 5.4196 5.4196 5.7940 5.7940 6.4097 6.4097 7.2664 7.2664 9.1120 9.1120 9.1827 9.1827 9.8514 9.8514 10.0980 10.0980 10.7376 10.7376 k = 0.7020 0.1358 0.1035 ( 4905 PWs) bands (ev): -5.6203 -5.6203 -5.2992 -5.2992 -3.9277 -3.9277 -2.8244 -2.8244 -2.5348 -2.5348 -1.1790 -1.1790 -0.1391 -0.1391 0.6104 0.6104 1.0206 1.0206 1.5464 1.5464 1.8565 1.8565 2.9987 2.9987 3.0601 3.0601 3.3143 3.3143 4.0999 4.0999 4.5414 4.5414 4.5507 4.5507 4.9132 4.9132 4.9596 4.9596 5.0524 5.0524 5.3715 5.3715 5.7776 5.7776 6.4446 6.4446 7.2962 7.2962 9.1430 9.1430 9.1964 9.1964 9.8167 9.8167 10.0973 10.0973 10.7080 10.7080 k = 0.7098 0.1485 0.1131 ( 4912 PWs) bands (ev): -5.6173 -5.6173 -5.2918 -5.2918 -3.9274 -3.9274 -2.8361 -2.8361 -2.5450 -2.5450 -1.1729 -1.1729 -0.1455 -0.1455 0.5420 0.5420 0.9505 0.9505 1.6165 1.6165 1.9454 1.9454 2.9870 2.9870 3.1426 3.1426 3.2850 3.2850 4.1167 4.1167 4.5012 4.5012 4.5633 4.5633 4.9260 4.9260 4.9864 4.9864 5.0496 5.0496 5.3200 5.3200 5.7603 5.7603 6.4742 6.4742 7.3225 7.3225 9.1644 9.1644 9.2077 9.2077 9.7883 9.7883 10.0957 10.0957 10.6868 10.6868 Writing output data file SiB4.save init_run : 0.27s CPU 0.41s WALL ( 1 calls) electrons : 166.42s CPU 168.55s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 166.42s CPU 168.54s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.09s WALL ( 243 calls) cegterg : 143.79s CPU 145.29s WALL ( 272 calls) Called by sum_band: Called by *egterg: h_psi : 92.29s CPU 93.51s WALL ( 4650 calls) s_psi : 7.78s CPU 7.79s WALL ( 4650 calls) g_psi : 0.16s CPU 0.22s WALL ( 4135 calls) cdiaghg : 46.91s CPU 47.47s WALL ( 4378 calls) cegterg:over : 6.01s CPU 6.02s WALL ( 4135 calls) cegterg:upda : 5.19s CPU 5.21s WALL ( 4135 calls) cegterg:last : 2.64s CPU 2.58s WALL ( 765 calls) cdiaghg:chol : 2.72s CPU 2.72s WALL ( 4378 calls) cdiaghg:inve : 1.94s CPU 1.98s WALL ( 4378 calls) cdiaghg:para : 3.29s CPU 3.21s WALL ( 8756 calls) Called by h_psi: h_psi:vloc : 74.33s CPU 75.30s WALL ( 4650 calls) h_psi:vnl : 17.72s CPU 17.98s WALL ( 4650 calls) add_vuspsi : 9.11s CPU 9.21s WALL ( 4650 calls) General routines calbec : 8.60s CPU 8.75s WALL ( 4650 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 69.32s CPU 70.26s WALL ( 675328 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.25s WALL ( 486 calls) Parallel routines fft_scatter : 22.66s CPU 22.95s WALL ( 675351 calls) PWSCF : 3m 0.75s CPU 3m12.67s WALL This run was terminated on: 13:51:53 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=