Program PWSCF v.5.1.1 starts on 18Jun2016 at 8:14:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cu3SbSe4.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 49 13 1617 1053 158 Max 65 50 14 1620 1078 162 Sum 3109 2363 661 77689 51339 7705 bravais-lattice index = 14 lattice parameter (alat) = 13.0695 a.u. unit-cell volume = 1219.6819 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.069541 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.665021 celldm(5)= -0.665021 celldm(6)= 0.330041 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.330041 0.943966 0.000000 ) a(3) = ( -0.665021 -0.471983 0.578774 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.349633 0.863895 ) b(2) = ( 0.000000 1.059360 0.863895 ) b(3) = ( 0.000000 0.000000 1.727790 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 2 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Se 6.00 78.96000 Se( 1.00) Sb 5.00 121.76000 Sb( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -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_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0215974), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0431948), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0647921), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0863895), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.1079869), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.1295843), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.1511817), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1727790), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1943764), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.2159738), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.2375712), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.2591685), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.2807659), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.3023633), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.3239607), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.3455581), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.3671554), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.3887528), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.4103502), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.4319476), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.4535450), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.4751423), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.4967397), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.5183371), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.5399345), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.5615318), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.5831292), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.6047266), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.6263240), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.6479214), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.6695187), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.6911161), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.7127135), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.7343109), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.7559083), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.7775056), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.7991030), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.8207004), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.8422978), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.8638951), wk = 0.0036765 k( 42) = ( 0.0000000 0.0000000 0.8638951), wk = 0.0036765 k( 43) = ( -0.0125928 0.0177432 0.8638951), wk = 0.0036765 k( 44) = ( -0.0251856 0.0354864 0.8638951), wk = 0.0036765 k( 45) = ( -0.0377784 0.0532295 0.8638951), wk = 0.0036765 k( 46) = ( -0.0503712 0.0709727 0.8638951), wk = 0.0036765 k( 47) = ( -0.0629641 0.0887159 0.8638951), wk = 0.0036765 k( 48) = ( -0.0755569 0.1064591 0.8638951), wk = 0.0036765 k( 49) = ( -0.0881497 0.1242022 0.8638951), wk = 0.0036765 k( 50) = ( -0.1007425 0.1419454 0.8638951), wk = 0.0036765 k( 51) = ( -0.1133353 0.1596886 0.8638951), wk = 0.0036765 k( 52) = ( -0.1259281 0.1774318 0.8638951), wk = 0.0036765 k( 53) = ( -0.1259281 0.1774318 0.8638951), wk = 0.0036765 k( 54) = ( -0.1348346 0.1899809 0.8485066), wk = 0.0036765 k( 55) = ( -0.1437411 0.2025301 0.8331181), wk = 0.0036765 k( 56) = ( -0.1526475 0.2150792 0.8177296), wk = 0.0036765 k( 57) = ( -0.1615540 0.2276284 0.8023411), wk = 0.0036765 k( 58) = ( -0.1704605 0.2401775 0.7869526), wk = 0.0036765 k( 59) = ( -0.1793670 0.2527267 0.7715640), wk = 0.0036765 k( 60) = ( -0.1882735 0.2652758 0.7561755), wk = 0.0036765 k( 61) = ( -0.1971799 0.2778250 0.7407870), wk = 0.0036765 k( 62) = ( -0.2060864 0.2903741 0.7253985), wk = 0.0036765 k( 63) = ( -0.2149929 0.3029233 0.7100100), wk = 0.0036765 k( 64) = ( -0.2238993 0.3154724 0.6946215), wk = 0.0036765 k( 65) = ( -0.2328058 0.3280216 0.6792329), wk = 0.0036765 k( 66) = ( -0.2417123 0.3405707 0.6638444), wk = 0.0036765 k( 67) = ( -0.2506188 0.3531199 0.6484559), wk = 0.0036765 k( 68) = ( -0.2595252 0.3656690 0.6330674), wk = 0.0036765 k( 69) = ( -0.2684317 0.3782182 0.6176789), wk = 0.0036765 k( 70) = ( -0.2773382 0.3907674 0.6022903), wk = 0.0036765 k( 71) = ( -0.2862446 0.4033165 0.5869018), wk = 0.0036765 k( 72) = ( -0.2951511 0.4158657 0.5715133), wk = 0.0036765 k( 73) = ( -0.3040576 0.4284148 0.5561248), wk = 0.0036765 k( 74) = ( -0.3129641 0.4409640 0.5407363), wk = 0.0036765 k( 75) = ( -0.3129641 0.4409640 0.5407363), wk = 0.0036765 k( 76) = ( -0.3040222 0.4283650 0.5252867), wk = 0.0036765 k( 77) = ( -0.2950804 0.4157660 0.5098371), wk = 0.0036765 k( 78) = ( -0.2861386 0.4031671 0.4943875), wk = 0.0036765 k( 79) = ( -0.2771967 0.3905681 0.4789379), wk = 0.0036765 k( 80) = ( -0.2682549 0.3779691 0.4634882), wk = 0.0036765 k( 81) = ( -0.2593131 0.3653701 0.4480386), wk = 0.0036765 k( 82) = ( -0.2503712 0.3527712 0.4325890), wk = 0.0036765 k( 83) = ( -0.2414294 0.3401722 0.4171394), wk = 0.0036765 k( 84) = ( -0.2324876 0.3275732 0.4016898), wk = 0.0036765 k( 85) = ( -0.2235458 0.3149743 0.3862402), wk = 0.0036765 k( 86) = ( -0.2146039 0.3023753 0.3707906), wk = 0.0036765 k( 87) = ( -0.2056621 0.2897763 0.3553410), wk = 0.0036765 k( 88) = ( -0.1967203 0.2771773 0.3398914), wk = 0.0036765 k( 89) = ( -0.1877784 0.2645784 0.3244418), wk = 0.0036765 k( 90) = ( -0.1788366 0.2519794 0.3089922), wk = 0.0036765 k( 91) = ( -0.1698948 0.2393804 0.2935426), wk = 0.0036765 k( 92) = ( -0.1609530 0.2267815 0.2780929), wk = 0.0036765 k( 93) = ( -0.1520111 0.2141825 0.2626433), wk = 0.0036765 k( 94) = ( -0.1430693 0.2015835 0.2471937), wk = 0.0036765 k( 95) = ( -0.1341275 0.1889846 0.2317441), wk = 0.0036765 k( 96) = ( -0.1251856 0.1763856 0.2162945), wk = 0.0036765 k( 97) = ( -0.1162438 0.1637866 0.2008449), wk = 0.0036765 k( 98) = ( -0.1073020 0.1511876 0.1853953), wk = 0.0036765 k( 99) = ( -0.0983601 0.1385887 0.1699457), wk = 0.0036765 k( 100) = ( -0.0894183 0.1259897 0.1544961), wk = 0.0036765 k( 101) = ( -0.0804765 0.1133907 0.1390465), wk = 0.0036765 k( 102) = ( -0.0715346 0.1007918 0.1235969), wk = 0.0036765 k( 103) = ( -0.0625928 0.0881928 0.1081472), wk = 0.0036765 k( 104) = ( -0.0536510 0.0755938 0.0926976), wk = 0.0036765 k( 105) = ( -0.0447092 0.0629948 0.0772480), wk = 0.0036765 k( 106) = ( -0.0357673 0.0503959 0.0617984), wk = 0.0036765 k( 107) = ( -0.0268255 0.0377969 0.0463488), wk = 0.0036765 k( 108) = ( -0.0178837 0.0251979 0.0308992), wk = 0.0036765 k( 109) = ( -0.0089418 0.0125990 0.0154496), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 112) = ( 0.0178571 0.0126737 0.0000000), wk = 0.0036765 k( 113) = ( 0.0357143 0.0253474 0.0000000), wk = 0.0036765 k( 114) = ( 0.0535714 0.0380211 0.0000000), wk = 0.0036765 k( 115) = ( 0.0714286 0.0506948 0.0000000), wk = 0.0036765 k( 116) = ( 0.0892857 0.0633685 0.0000000), wk = 0.0036765 k( 117) = ( 0.1071429 0.0760422 0.0000000), wk = 0.0036765 k( 118) = ( 0.1250000 0.0887159 0.0000000), wk = 0.0036765 k( 119) = ( 0.1428571 0.1013896 0.0000000), wk = 0.0036765 k( 120) = ( 0.1607143 0.1140633 0.0000000), wk = 0.0036765 k( 121) = ( 0.1785714 0.1267370 0.0000000), wk = 0.0036765 k( 122) = ( 0.1964286 0.1394107 0.0000000), wk = 0.0036765 k( 123) = ( 0.2142857 0.1520844 0.0000000), wk = 0.0036765 k( 124) = ( 0.2321429 0.1647581 0.0000000), wk = 0.0036765 k( 125) = ( 0.2500000 0.1774318 0.0000000), wk = 0.0036765 k( 126) = ( 0.2678571 0.1901055 0.0000000), wk = 0.0036765 k( 127) = ( 0.2857143 0.2027792 0.0000000), wk = 0.0036765 k( 128) = ( 0.3035714 0.2154529 0.0000000), wk = 0.0036765 k( 129) = ( 0.3214286 0.2281266 0.0000000), wk = 0.0036765 k( 130) = ( 0.3392857 0.2408003 0.0000000), wk = 0.0036765 k( 131) = ( 0.3571429 0.2534740 0.0000000), wk = 0.0036765 k( 132) = ( 0.3750000 0.2661477 0.0000000), wk = 0.0036765 k( 133) = ( 0.3928571 0.2788214 0.0000000), wk = 0.0036765 k( 134) = ( 0.4107143 0.2914951 0.0000000), wk = 0.0036765 k( 135) = ( 0.4285714 0.3041688 0.0000000), wk = 0.0036765 k( 136) = ( 0.4464286 0.3168424 0.0000000), wk = 0.0036765 k( 137) = ( 0.4642857 0.3295161 0.0000000), wk = 0.0036765 k( 138) = ( 0.4821429 0.3421898 0.0000000), wk = 0.0036765 k( 139) = ( 0.5000000 0.3548635 0.0000000), wk = 0.0036765 k( 140) = ( 0.5000000 0.3548635 0.0000000), wk = 0.0036765 k( 141) = ( 0.4910935 0.3674127 0.0153885), wk = 0.0036765 k( 142) = ( 0.4821871 0.3799619 0.0307770), wk = 0.0036765 k( 143) = ( 0.4732806 0.3925110 0.0461656), wk = 0.0036765 k( 144) = ( 0.4643741 0.4050601 0.0615541), wk = 0.0036765 k( 145) = ( 0.4554676 0.4176093 0.0769426), wk = 0.0036765 k( 146) = ( 0.4465612 0.4301585 0.0923311), wk = 0.0036765 k( 147) = ( 0.4376547 0.4427076 0.1077196), wk = 0.0036765 k( 148) = ( 0.4287482 0.4552568 0.1231081), wk = 0.0036765 k( 149) = ( 0.4198417 0.4678059 0.1384967), wk = 0.0036765 k( 150) = ( 0.4109353 0.4803551 0.1538852), wk = 0.0036765 k( 151) = ( 0.4020288 0.4929042 0.1692737), wk = 0.0036765 k( 152) = ( 0.3931223 0.5054534 0.1846622), wk = 0.0036765 k( 153) = ( 0.3842159 0.5180025 0.2000507), wk = 0.0036765 k( 154) = ( 0.3753094 0.5305517 0.2154392), wk = 0.0036765 k( 155) = ( 0.3664029 0.5431008 0.2308278), wk = 0.0036765 k( 156) = ( 0.3574964 0.5556500 0.2462163), wk = 0.0036765 k( 157) = ( 0.3485900 0.5681991 0.2616048), wk = 0.0036765 k( 158) = ( 0.3396835 0.5807483 0.2769933), wk = 0.0036765 k( 159) = ( 0.3307770 0.5932974 0.2923818), wk = 0.0036765 k( 160) = ( 0.3218705 0.6058466 0.3077704), wk = 0.0036765 k( 161) = ( 0.3129641 0.6183957 0.3231589), wk = 0.0036765 k( 162) = ( 0.3129641 0.6183957 0.3231589), wk = 0.0036765 k( 163) = ( 0.2934038 0.6128510 0.3299582), wk = 0.0036765 k( 164) = ( 0.2738436 0.6073062 0.3367575), wk = 0.0036765 k( 165) = ( 0.2542833 0.6017615 0.3435568), wk = 0.0036765 k( 166) = ( 0.2347230 0.5962168 0.3503560), wk = 0.0036765 k( 167) = ( 0.2151628 0.5906720 0.3571553), wk = 0.0036765 k( 168) = ( 0.1956025 0.5851273 0.3639546), wk = 0.0036765 k( 169) = ( 0.1760423 0.5795825 0.3707539), wk = 0.0036765 k( 170) = ( 0.1564820 0.5740378 0.3775532), wk = 0.0036765 k( 171) = ( 0.1369218 0.5684930 0.3843525), wk = 0.0036765 k( 172) = ( 0.1173615 0.5629483 0.3911518), wk = 0.0036765 k( 173) = ( 0.0978013 0.5574036 0.3979511), wk = 0.0036765 k( 174) = ( 0.0782410 0.5518588 0.4047504), wk = 0.0036765 k( 175) = ( 0.0586808 0.5463141 0.4115497), wk = 0.0036765 k( 176) = ( 0.0391205 0.5407693 0.4183490), wk = 0.0036765 k( 177) = ( 0.0195603 0.5352246 0.4251483), wk = 0.0036765 k( 178) = ( 0.0000000 0.5296798 0.4319476), wk = 0.0036765 k( 179) = ( 0.0000000 0.5296798 0.4319476), wk = 0.0036765 k( 180) = ( 0.0089286 0.5170996 0.4473743), wk = 0.0036765 k( 181) = ( 0.0178571 0.5045193 0.4628010), wk = 0.0036765 k( 182) = ( 0.0267857 0.4919390 0.4782277), wk = 0.0036765 k( 183) = ( 0.0357143 0.4793587 0.4936544), wk = 0.0036765 k( 184) = ( 0.0446429 0.4667784 0.5090811), wk = 0.0036765 k( 185) = ( 0.0535714 0.4541981 0.5245078), wk = 0.0036765 k( 186) = ( 0.0625000 0.4416178 0.5399345), wk = 0.0036765 k( 187) = ( 0.0714286 0.4290375 0.5553612), wk = 0.0036765 k( 188) = ( 0.0803571 0.4164573 0.5707879), wk = 0.0036765 k( 189) = ( 0.0892857 0.4038770 0.5862146), wk = 0.0036765 k( 190) = ( 0.0982143 0.3912967 0.6016413), wk = 0.0036765 k( 191) = ( 0.1071429 0.3787164 0.6170680), wk = 0.0036765 k( 192) = ( 0.1160714 0.3661361 0.6324947), wk = 0.0036765 k( 193) = ( 0.1250000 0.3535558 0.6479214), wk = 0.0036765 k( 194) = ( 0.1339286 0.3409755 0.6633481), wk = 0.0036765 k( 195) = ( 0.1428571 0.3283952 0.6787748), wk = 0.0036765 k( 196) = ( 0.1517857 0.3158150 0.6942014), wk = 0.0036765 k( 197) = ( 0.1607143 0.3032346 0.7096282), wk = 0.0036765 k( 198) = ( 0.1696429 0.2906544 0.7250549), wk = 0.0036765 k( 199) = ( 0.1785714 0.2780741 0.7404816), wk = 0.0036765 k( 200) = ( 0.1875000 0.2654938 0.7559083), wk = 0.0036765 k( 201) = ( 0.1964286 0.2529135 0.7713349), wk = 0.0036765 k( 202) = ( 0.2053571 0.2403332 0.7867616), wk = 0.0036765 k( 203) = ( 0.2142857 0.2277529 0.8021883), wk = 0.0036765 k( 204) = ( 0.2232143 0.2151726 0.8176151), wk = 0.0036765 k( 205) = ( 0.2321429 0.2025923 0.8330418), wk = 0.0036765 k( 206) = ( 0.2410714 0.1900121 0.8484684), wk = 0.0036765 k( 207) = ( 0.2500000 0.1774318 0.8638951), wk = 0.0036765 k( 208) = ( 0.2500000 0.1774318 0.8638951), wk = 0.0036765 k( 209) = ( 0.2638889 0.1872891 0.8518075), wk = 0.0036765 k( 210) = ( 0.2777778 0.1971464 0.8397199), wk = 0.0036765 k( 211) = ( 0.2916667 0.2070037 0.8276322), wk = 0.0036765 k( 212) = ( 0.3055556 0.2168611 0.8155446), wk = 0.0036765 k( 213) = ( 0.3194444 0.2267184 0.8034570), wk = 0.0036765 k( 214) = ( 0.3333333 0.2365757 0.7913693), wk = 0.0036765 k( 215) = ( 0.3472222 0.2464330 0.7792817), wk = 0.0036765 k( 216) = ( 0.3611111 0.2562903 0.7671941), wk = 0.0036765 k( 217) = ( 0.3750000 0.2661477 0.7551064), wk = 0.0036765 k( 218) = ( 0.3888889 0.2760050 0.7430188), wk = 0.0036765 k( 219) = ( 0.4027778 0.2858623 0.7309312), wk = 0.0036765 k( 220) = ( 0.4166667 0.2957196 0.7188435), wk = 0.0036765 k( 221) = ( 0.4305556 0.3055769 0.7067559), wk = 0.0036765 k( 222) = ( 0.4444444 0.3154343 0.6946683), wk = 0.0036765 k( 223) = ( 0.4583333 0.3252916 0.6825806), wk = 0.0036765 k( 224) = ( 0.4722222 0.3351489 0.6704930), wk = 0.0036765 k( 225) = ( 0.4861111 0.3450062 0.6584054), wk = 0.0036765 k( 226) = ( 0.5000000 0.3548635 0.6463177), wk = 0.0036765 k( 227) = ( 0.5000000 0.3548635 0.6463177), wk = 0.0036765 k( 228) = ( 0.5000000 0.3548635 0.6247738), wk = 0.0036765 k( 229) = ( 0.5000000 0.3548635 0.6032299), wk = 0.0036765 k( 230) = ( 0.5000000 0.3548635 0.5816860), wk = 0.0036765 k( 231) = ( 0.5000000 0.3548635 0.5601420), wk = 0.0036765 k( 232) = ( 0.5000000 0.3548635 0.5385981), wk = 0.0036765 k( 233) = ( 0.5000000 0.3548635 0.5170542), wk = 0.0036765 k( 234) = ( 0.5000000 0.3548635 0.4955103), wk = 0.0036765 k( 235) = ( 0.5000000 0.3548635 0.4739663), wk = 0.0036765 k( 236) = ( 0.5000000 0.3548635 0.4524224), wk = 0.0036765 k( 237) = ( 0.5000000 0.3548635 0.4308785), wk = 0.0036765 k( 238) = ( 0.5000000 0.3548635 0.4093346), wk = 0.0036765 k( 239) = ( 0.5000000 0.3548635 0.3877906), wk = 0.0036765 k( 240) = ( 0.5000000 0.3548635 0.3662467), wk = 0.0036765 k( 241) = ( 0.5000000 0.3548635 0.3447028), wk = 0.0036765 k( 242) = ( 0.5000000 0.3548635 0.3231589), wk = 0.0036765 k( 243) = ( 0.5000000 0.3548635 0.3016149), wk = 0.0036765 k( 244) = ( 0.5000000 0.3548635 0.2800710), wk = 0.0036765 k( 245) = ( 0.5000000 0.3548635 0.2585271), wk = 0.0036765 k( 246) = ( 0.5000000 0.3548635 0.2369832), wk = 0.0036765 k( 247) = ( 0.5000000 0.3548635 0.2154392), wk = 0.0036765 k( 248) = ( 0.5000000 0.3548635 0.1938953), wk = 0.0036765 k( 249) = ( 0.5000000 0.3548635 0.1723514), wk = 0.0036765 k( 250) = ( 0.5000000 0.3548635 0.1508075), wk = 0.0036765 k( 251) = ( 0.5000000 0.3548635 0.1292635), wk = 0.0036765 k( 252) = ( 0.5000000 0.3548635 0.1077196), wk = 0.0036765 k( 253) = ( 0.5000000 0.3548635 0.0861757), wk = 0.0036765 k( 254) = ( 0.5000000 0.3548635 0.0646318), wk = 0.0036765 k( 255) = ( 0.5000000 0.3548635 0.0430878), wk = 0.0036765 k( 256) = ( 0.5000000 0.3548635 0.0215439), wk = 0.0036765 k( 257) = ( 0.5000000 0.3548635 0.0000000), wk = 0.0036765 k( 258) = ( 0.0000000 0.0000000 0.8638951), wk = 0.0036765 k( 259) = ( 0.0178571 0.0126737 0.8638951), wk = 0.0036765 k( 260) = ( 0.0357143 0.0253474 0.8638951), wk = 0.0036765 k( 261) = ( 0.0535714 0.0380211 0.8638951), wk = 0.0036765 k( 262) = ( 0.0714286 0.0506948 0.8638951), wk = 0.0036765 k( 263) = ( 0.0892857 0.0633685 0.8638951), wk = 0.0036765 k( 264) = ( 0.1071429 0.0760422 0.8638951), wk = 0.0036765 k( 265) = ( 0.1250000 0.0887159 0.8638951), wk = 0.0036765 k( 266) = ( 0.1428571 0.1013896 0.8638951), wk = 0.0036765 k( 267) = ( 0.1607143 0.1140633 0.8638951), wk = 0.0036765 k( 268) = ( 0.1785714 0.1267370 0.8638951), wk = 0.0036765 k( 269) = ( 0.1964286 0.1394107 0.8638951), wk = 0.0036765 k( 270) = ( 0.2142857 0.1520844 0.8638951), wk = 0.0036765 k( 271) = ( 0.2321429 0.1647581 0.8638951), wk = 0.0036765 k( 272) = ( 0.2500000 0.1774318 0.8638951), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0036765 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036765 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0036765 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0036765 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0036765 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036765 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0036765 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0036765 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0036765 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0036765 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036765 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0036765 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0036765 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0036765 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036765 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0036765 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0036765 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0036765 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036765 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036765 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0036765 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0036765 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0036765 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0036765 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036765 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0036765 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036765 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0036765 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0036765 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036765 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0036765 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0036765 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0036765 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0036765 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 43) = ( -0.0125928 0.0125928 0.5000000), wk = 0.0036765 k( 44) = ( -0.0251856 0.0251856 0.5000000), wk = 0.0036765 k( 45) = ( -0.0377784 0.0377784 0.5000000), wk = 0.0036765 k( 46) = ( -0.0503712 0.0503713 0.5000000), wk = 0.0036765 k( 47) = ( -0.0629641 0.0629641 0.5000000), wk = 0.0036765 k( 48) = ( -0.0755569 0.0755569 0.5000000), wk = 0.0036765 k( 49) = ( -0.0881497 0.0881497 0.5000000), wk = 0.0036765 k( 50) = ( -0.1007425 0.1007425 0.5000000), wk = 0.0036765 k( 51) = ( -0.1133353 0.1133353 0.5000000), wk = 0.0036765 k( 52) = ( -0.1259281 0.1259281 0.5000000), wk = 0.0036765 k( 53) = ( -0.1259281 0.1259281 0.5000000), wk = 0.0036765 k( 54) = ( -0.1348346 0.1348346 0.4910935), wk = 0.0036765 k( 55) = ( -0.1437411 0.1437411 0.4821871), wk = 0.0036765 k( 56) = ( -0.1526475 0.1526476 0.4732806), wk = 0.0036765 k( 57) = ( -0.1615540 0.1615540 0.4643741), wk = 0.0036765 k( 58) = ( -0.1704605 0.1704605 0.4554676), wk = 0.0036765 k( 59) = ( -0.1793670 0.1793670 0.4465612), wk = 0.0036765 k( 60) = ( -0.1882735 0.1882735 0.4376547), wk = 0.0036765 k( 61) = ( -0.1971799 0.1971799 0.4287482), wk = 0.0036765 k( 62) = ( -0.2060864 0.2060864 0.4198417), wk = 0.0036765 k( 63) = ( -0.2149929 0.2149929 0.4109353), wk = 0.0036765 k( 64) = ( -0.2238993 0.2238993 0.4020288), wk = 0.0036765 k( 65) = ( -0.2328058 0.2328058 0.3931223), wk = 0.0036765 k( 66) = ( -0.2417123 0.2417123 0.3842159), wk = 0.0036765 k( 67) = ( -0.2506188 0.2506188 0.3753094), wk = 0.0036765 k( 68) = ( -0.2595252 0.2595252 0.3664029), wk = 0.0036765 k( 69) = ( -0.2684317 0.2684317 0.3574964), wk = 0.0036765 k( 70) = ( -0.2773382 0.2773382 0.3485900), wk = 0.0036765 k( 71) = ( -0.2862446 0.2862447 0.3396835), wk = 0.0036765 k( 72) = ( -0.2951511 0.2951511 0.3307770), wk = 0.0036765 k( 73) = ( -0.3040576 0.3040576 0.3218705), wk = 0.0036765 k( 74) = ( -0.3129641 0.3129641 0.3129641), wk = 0.0036765 k( 75) = ( -0.3129641 0.3129641 0.3129641), wk = 0.0036765 k( 76) = ( -0.3040222 0.3040222 0.3040222), wk = 0.0036765 k( 77) = ( -0.2950804 0.2950804 0.2950804), wk = 0.0036765 k( 78) = ( -0.2861386 0.2861386 0.2861386), wk = 0.0036765 k( 79) = ( -0.2771967 0.2771967 0.2771967), wk = 0.0036765 k( 80) = ( -0.2682549 0.2682549 0.2682549), wk = 0.0036765 k( 81) = ( -0.2593131 0.2593131 0.2593131), wk = 0.0036765 k( 82) = ( -0.2503712 0.2503713 0.2503713), wk = 0.0036765 k( 83) = ( -0.2414294 0.2414294 0.2414294), wk = 0.0036765 k( 84) = ( -0.2324876 0.2324876 0.2324876), wk = 0.0036765 k( 85) = ( -0.2235458 0.2235458 0.2235458), wk = 0.0036765 k( 86) = ( -0.2146039 0.2146039 0.2146039), wk = 0.0036765 k( 87) = ( -0.2056621 0.2056621 0.2056621), wk = 0.0036765 k( 88) = ( -0.1967203 0.1967203 0.1967203), wk = 0.0036765 k( 89) = ( -0.1877784 0.1877784 0.1877784), wk = 0.0036765 k( 90) = ( -0.1788366 0.1788366 0.1788366), wk = 0.0036765 k( 91) = ( -0.1698948 0.1698948 0.1698948), wk = 0.0036765 k( 92) = ( -0.1609530 0.1609530 0.1609529), wk = 0.0036765 k( 93) = ( -0.1520111 0.1520111 0.1520111), wk = 0.0036765 k( 94) = ( -0.1430693 0.1430693 0.1430693), wk = 0.0036765 k( 95) = ( -0.1341275 0.1341275 0.1341275), wk = 0.0036765 k( 96) = ( -0.1251856 0.1251856 0.1251856), wk = 0.0036765 k( 97) = ( -0.1162438 0.1162438 0.1162438), wk = 0.0036765 k( 98) = ( -0.1073020 0.1073020 0.1073020), wk = 0.0036765 k( 99) = ( -0.0983601 0.0983601 0.0983601), wk = 0.0036765 k( 100) = ( -0.0894183 0.0894183 0.0894183), wk = 0.0036765 k( 101) = ( -0.0804765 0.0804765 0.0804765), wk = 0.0036765 k( 102) = ( -0.0715346 0.0715346 0.0715346), wk = 0.0036765 k( 103) = ( -0.0625928 0.0625928 0.0625928), wk = 0.0036765 k( 104) = ( -0.0536510 0.0536510 0.0536510), wk = 0.0036765 k( 105) = ( -0.0447092 0.0447092 0.0447092), wk = 0.0036765 k( 106) = ( -0.0357673 0.0357673 0.0357673), wk = 0.0036765 k( 107) = ( -0.0268255 0.0268255 0.0268255), wk = 0.0036765 k( 108) = ( -0.0178837 0.0178837 0.0178837), wk = 0.0036765 k( 109) = ( -0.0089418 0.0089418 0.0089418), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 112) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0036765 k( 113) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0036765 k( 114) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0036765 k( 115) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0036765 k( 116) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0036765 k( 117) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0036765 k( 118) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0036765 k( 119) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0036765 k( 120) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0036765 k( 121) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0036765 k( 122) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0036765 k( 123) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0036765 k( 124) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0036765 k( 125) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036765 k( 126) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0036765 k( 127) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0036765 k( 128) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0036765 k( 129) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0036765 k( 130) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0036765 k( 131) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0036765 k( 132) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0036765 k( 133) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0036765 k( 134) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0036765 k( 135) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0036765 k( 136) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0036765 k( 137) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0036765 k( 138) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0036765 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 140) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 141) = ( 0.4910935 0.5089065 -0.4910935), wk = 0.0036765 k( 142) = ( 0.4821871 0.5178130 -0.4821871), wk = 0.0036765 k( 143) = ( 0.4732806 0.5267194 -0.4732806), wk = 0.0036765 k( 144) = ( 0.4643741 0.5356259 -0.4643741), wk = 0.0036765 k( 145) = ( 0.4554676 0.5445324 -0.4554676), wk = 0.0036765 k( 146) = ( 0.4465612 0.5534388 -0.4465612), wk = 0.0036765 k( 147) = ( 0.4376547 0.5623453 -0.4376547), wk = 0.0036765 k( 148) = ( 0.4287482 0.5712518 -0.4287482), wk = 0.0036765 k( 149) = ( 0.4198417 0.5801583 -0.4198417), wk = 0.0036765 k( 150) = ( 0.4109353 0.5890647 -0.4109353), wk = 0.0036765 k( 151) = ( 0.4020288 0.5979712 -0.4020288), wk = 0.0036765 k( 152) = ( 0.3931223 0.6068777 -0.3931223), wk = 0.0036765 k( 153) = ( 0.3842159 0.6157842 -0.3842159), wk = 0.0036765 k( 154) = ( 0.3753094 0.6246906 -0.3753094), wk = 0.0036765 k( 155) = ( 0.3664029 0.6335971 -0.3664029), wk = 0.0036765 k( 156) = ( 0.3574964 0.6425036 -0.3574964), wk = 0.0036765 k( 157) = ( 0.3485900 0.6514100 -0.3485900), wk = 0.0036765 k( 158) = ( 0.3396835 0.6603165 -0.3396835), wk = 0.0036765 k( 159) = ( 0.3307770 0.6692230 -0.3307770), wk = 0.0036765 k( 160) = ( 0.3218705 0.6781295 -0.3218705), wk = 0.0036765 k( 161) = ( 0.3129641 0.6870359 -0.3129641), wk = 0.0036765 k( 162) = ( 0.3129641 0.6870359 -0.3129641), wk = 0.0036765 k( 163) = ( 0.2934038 0.6753462 -0.2934038), wk = 0.0036765 k( 164) = ( 0.2738436 0.6636564 -0.2738436), wk = 0.0036765 k( 165) = ( 0.2542833 0.6519667 -0.2542833), wk = 0.0036765 k( 166) = ( 0.2347230 0.6402769 -0.2347231), wk = 0.0036765 k( 167) = ( 0.2151628 0.6285872 -0.2151628), wk = 0.0036765 k( 168) = ( 0.1956025 0.6168975 -0.1956025), wk = 0.0036765 k( 169) = ( 0.1760423 0.6052077 -0.1760423), wk = 0.0036765 k( 170) = ( 0.1564820 0.5935180 -0.1564820), wk = 0.0036765 k( 171) = ( 0.1369218 0.5818282 -0.1369218), wk = 0.0036765 k( 172) = ( 0.1173615 0.5701385 -0.1173615), wk = 0.0036765 k( 173) = ( 0.0978013 0.5584487 -0.0978013), wk = 0.0036765 k( 174) = ( 0.0782410 0.5467590 -0.0782410), wk = 0.0036765 k( 175) = ( 0.0586808 0.5350692 -0.0586808), wk = 0.0036765 k( 176) = ( 0.0391205 0.5233795 -0.0391205), wk = 0.0036765 k( 177) = ( 0.0195603 0.5116898 -0.0195603), wk = 0.0036765 k( 178) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 179) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 180) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036765 k( 181) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036765 k( 182) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036765 k( 183) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036765 k( 184) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036765 k( 185) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036765 k( 186) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036765 k( 187) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036765 k( 188) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036765 k( 189) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036765 k( 190) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036765 k( 191) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036765 k( 192) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036765 k( 193) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036765 k( 194) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036765 k( 195) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036765 k( 196) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036765 k( 197) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036765 k( 198) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036765 k( 199) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036765 k( 200) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036765 k( 201) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036765 k( 202) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036765 k( 203) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036765 k( 204) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036765 k( 205) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036765 k( 206) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036765 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 k( 209) = ( 0.2638889 0.2638889 0.2291151), wk = 0.0036765 k( 210) = ( 0.2777778 0.2777778 0.2082302), wk = 0.0036765 k( 211) = ( 0.2916667 0.2916667 0.1873453), wk = 0.0036765 k( 212) = ( 0.3055556 0.3055556 0.1664604), wk = 0.0036765 k( 213) = ( 0.3194444 0.3194444 0.1455755), wk = 0.0036765 k( 214) = ( 0.3333333 0.3333333 0.1246906), wk = 0.0036765 k( 215) = ( 0.3472222 0.3472222 0.1038057), wk = 0.0036765 k( 216) = ( 0.3611111 0.3611111 0.0829208), wk = 0.0036765 k( 217) = ( 0.3750000 0.3750000 0.0620359), wk = 0.0036765 k( 218) = ( 0.3888889 0.3888889 0.0411510), wk = 0.0036765 k( 219) = ( 0.4027778 0.4027778 0.0202661), wk = 0.0036765 k( 220) = ( 0.4166667 0.4166667 -0.0006188), wk = 0.0036765 k( 221) = ( 0.4305556 0.4305556 -0.0215037), wk = 0.0036765 k( 222) = ( 0.4444444 0.4444444 -0.0423885), wk = 0.0036765 k( 223) = ( 0.4583333 0.4583333 -0.0632735), wk = 0.0036765 k( 224) = ( 0.4722222 0.4722222 -0.0841583), wk = 0.0036765 k( 225) = ( 0.4861111 0.4861111 -0.1050432), wk = 0.0036765 k( 226) = ( 0.5000000 0.5000000 -0.1259281), wk = 0.0036765 k( 227) = ( 0.5000000 0.5000000 -0.1259281), wk = 0.0036765 k( 228) = ( 0.5000000 0.5000000 -0.1383972), wk = 0.0036765 k( 229) = ( 0.5000000 0.5000000 -0.1508663), wk = 0.0036765 k( 230) = ( 0.5000000 0.5000000 -0.1633353), wk = 0.0036765 k( 231) = ( 0.5000000 0.5000000 -0.1758044), wk = 0.0036765 k( 232) = ( 0.5000000 0.5000000 -0.1882735), wk = 0.0036765 k( 233) = ( 0.5000000 0.5000000 -0.2007425), wk = 0.0036765 k( 234) = ( 0.5000000 0.5000000 -0.2132116), wk = 0.0036765 k( 235) = ( 0.5000000 0.5000000 -0.2256806), wk = 0.0036765 k( 236) = ( 0.5000000 0.5000000 -0.2381497), wk = 0.0036765 k( 237) = ( 0.5000000 0.5000000 -0.2506188), wk = 0.0036765 k( 238) = ( 0.5000000 0.5000000 -0.2630878), wk = 0.0036765 k( 239) = ( 0.5000000 0.5000000 -0.2755569), wk = 0.0036765 k( 240) = ( 0.5000000 0.5000000 -0.2880259), wk = 0.0036765 k( 241) = ( 0.5000000 0.5000000 -0.3004950), wk = 0.0036765 k( 242) = ( 0.5000000 0.5000000 -0.3129641), wk = 0.0036765 k( 243) = ( 0.5000000 0.5000000 -0.3254331), wk = 0.0036765 k( 244) = ( 0.5000000 0.5000000 -0.3379022), wk = 0.0036765 k( 245) = ( 0.5000000 0.5000000 -0.3503713), wk = 0.0036765 k( 246) = ( 0.5000000 0.5000000 -0.3628403), wk = 0.0036765 k( 247) = ( 0.5000000 0.5000000 -0.3753094), wk = 0.0036765 k( 248) = ( 0.5000000 0.5000000 -0.3877784), wk = 0.0036765 k( 249) = ( 0.5000000 0.5000000 -0.4002475), wk = 0.0036765 k( 250) = ( 0.5000000 0.5000000 -0.4127166), wk = 0.0036765 k( 251) = ( 0.5000000 0.5000000 -0.4251856), wk = 0.0036765 k( 252) = ( 0.5000000 0.5000000 -0.4376547), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 -0.4501238), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 -0.4625928), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 -0.4750619), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 -0.4875309), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036765 k( 258) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 259) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0036765 k( 260) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0036765 k( 261) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0036765 k( 262) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0036765 k( 263) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0036765 k( 264) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0036765 k( 265) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036765 k( 266) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0036765 k( 267) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0036765 k( 268) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0036765 k( 269) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0036765 k( 270) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0036765 k( 271) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0036765 k( 272) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036765 Dense grid: 77689 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 51339 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 288, 74) NL pseudopotentials 0.36 Mb ( 144, 164) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1620) G-vector shells 0.01 Mb ( 771) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.30 Mb ( 288, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.37 Mb ( 164, 2, 74) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Cu3SbSe4.save/charge-density.dat Starting wfc are 94 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.7 secs Computing kpt #: 2 total cpu time spent up to now is 51.9 secs Computing kpt #: 3 total cpu time spent up to now is 57.4 secs Computing kpt #: 4 total cpu time spent up to now is 62.7 secs Computing kpt #: 5 total cpu time spent up to now is 68.0 secs Computing kpt #: 6 total cpu time spent up to now is 73.2 secs Computing kpt #: 7 total cpu time spent up to now is 78.4 secs Computing kpt #: 8 total cpu time spent up to now is 84.0 secs Computing kpt #: 9 total cpu time spent up to now is 88.9 secs Computing kpt #: 10 total cpu time spent up to now is 93.8 secs Computing kpt #: 11 total cpu time spent up to now is 98.5 secs Computing kpt #: 12 total cpu time spent up to now is 103.3 secs Computing kpt #: 13 total cpu time spent up to now is 108.1 secs Computing kpt #: 14 total cpu time spent up to now is 112.8 secs Computing kpt #: 15 total cpu time spent up to now is 117.9 secs Computing kpt #: 16 total cpu time spent up to now is 122.8 secs Computing kpt #: 17 total cpu time spent up to now is 127.5 secs Computing kpt #: 18 total cpu time spent up to now is 132.0 secs Computing kpt #: 19 total cpu time spent up to now is 136.8 secs Computing kpt #: 20 total cpu time spent up to now is 141.9 secs Computing kpt #: 21 total cpu time spent up to now is 147.1 secs Computing kpt #: 22 total cpu time spent up to now is 152.5 secs Computing kpt #: 23 total cpu time spent up to now is 157.8 secs Computing kpt #: 24 total cpu time spent up to now is 163.3 secs Computing kpt #: 25 total cpu time spent up to now is 168.8 secs Computing kpt #: 26 total cpu time spent up to now is 174.2 secs Computing kpt #: 27 total cpu time spent up to now is 179.2 secs Computing kpt #: 28 total cpu time spent up to now is 184.2 secs Computing kpt #: 29 total cpu time spent up to now is 189.0 secs Computing kpt #: 30 total cpu time spent up to now is 193.6 secs Computing kpt #: 31 total cpu time spent up to now is 198.3 secs Computing kpt #: 32 total cpu time spent up to now is 202.8 secs Computing kpt #: 33 total cpu time spent up to now is 207.4 secs Computing kpt #: 34 total cpu time spent up to now is 211.9 secs Computing kpt #: 35 total cpu time spent up to now is 216.4 secs Computing kpt #: 36 total cpu time spent up to now is 220.9 secs Computing kpt #: 37 total cpu time spent up to now is 225.5 secs Computing kpt #: 38 total cpu time spent up to now is 230.2 secs Computing kpt #: 39 total cpu time spent up to now is 234.9 secs Computing kpt #: 40 total cpu time spent up to now is 239.7 secs Computing kpt #: 41 total cpu time spent up to now is 244.2 secs Computing kpt #: 42 total cpu time spent up to now is 248.7 secs Computing kpt #: 43 total cpu time spent up to now is 253.4 secs Computing kpt #: 44 total cpu time spent up to now is 258.1 secs Computing kpt #: 45 total cpu time spent up to now is 262.9 secs Computing kpt #: 46 total cpu time spent up to now is 267.8 secs Computing kpt #: 47 total cpu time spent up to now is 273.0 secs Computing kpt #: 48 total cpu time spent up to now is 278.7 secs Computing kpt #: 49 total cpu time spent up to now is 284.3 secs Computing kpt #: 50 total cpu time spent up to now is 289.4 secs Computing kpt #: 51 total cpu time spent up to now is 295.9 secs Computing kpt #: 52 total cpu time spent up to now is 301.8 secs Computing kpt #: 53 total cpu time spent up to now is 306.8 secs Computing kpt #: 54 total cpu time spent up to now is 311.7 secs Computing kpt #: 55 total cpu time spent up to now is 316.5 secs Computing kpt #: 56 total cpu time spent up to now is 321.1 secs Computing kpt #: 57 total cpu time spent up to now is 325.9 secs Computing kpt #: 58 total cpu time spent up to now is 330.7 secs Computing kpt #: 59 total cpu time spent up to now is 335.3 secs Computing kpt #: 60 total cpu time spent up to now is 339.8 secs Computing kpt #: 61 total cpu time spent up to now is 344.4 secs Computing kpt #: 62 total cpu time spent up to now is 349.0 secs Computing kpt #: 63 total cpu time spent up to now is 353.7 secs Computing kpt #: 64 total cpu time spent up to now is 358.3 secs Computing kpt #: 65 total cpu time spent up to now is 363.0 secs Computing kpt #: 66 total cpu time spent up to now is 367.6 secs Computing kpt #: 67 total cpu time spent up to now is 372.3 secs Computing kpt #: 68 total cpu time spent up to now is 376.9 secs Computing kpt #: 69 total cpu time spent up to now is 381.6 secs Computing kpt #: 70 total cpu time spent up to now is 386.2 secs Computing kpt #: 71 total cpu time spent up to now is 391.0 secs Computing kpt #: 72 total cpu time spent up to now is 395.7 secs Computing kpt #: 73 total cpu time spent up to now is 400.4 secs Computing kpt #: 74 total cpu time spent up to now is 405.1 secs Computing kpt #: 75 total cpu time spent up to now is 409.8 secs Computing kpt #: 76 total cpu time spent up to now is 414.4 secs Computing kpt #: 77 total cpu time spent up to now is 419.1 secs Computing kpt #: 78 total cpu time spent up to now is 423.9 secs Computing kpt #: 79 total cpu time spent up to now is 428.6 secs Computing kpt #: 80 total cpu time spent up to now is 433.8 secs Computing kpt #: 81 total cpu time spent up to now is 439.1 secs Computing kpt #: 82 total cpu time spent up to now is 444.5 secs Computing kpt #: 83 total cpu time spent up to now is 451.7 secs Computing kpt #: 84 total cpu time spent up to now is 459.3 secs Computing kpt #: 85 total cpu time spent up to now is 465.9 secs Computing kpt #: 86 total cpu time spent up to now is 471.6 secs Computing kpt #: 87 total cpu time spent up to now is 476.8 secs Computing kpt #: 88 total cpu time spent up to now is 481.9 secs Computing kpt #: 89 total cpu time spent up to now is 487.1 secs Computing kpt #: 90 total cpu time spent up to now is 492.1 secs Computing kpt #: 91 total cpu time spent up to now is 496.8 secs Computing kpt #: 92 total cpu time spent up to now is 501.6 secs Computing kpt #: 93 total cpu time spent up to now is 506.3 secs Computing kpt #: 94 total cpu time spent up to now is 511.1 secs Computing kpt #: 95 total cpu time spent up to now is 515.8 secs Computing kpt #: 96 total cpu time spent up to now is 520.5 secs Computing kpt #: 97 total cpu time spent up to now is 525.1 secs Computing kpt #: 98 total cpu time spent up to now is 529.7 secs Computing kpt #: 99 total cpu time spent up to now is 534.4 secs Computing kpt #: 100 total cpu time spent up to now is 539.1 secs Computing kpt #: 101 total cpu time spent up to now is 543.9 secs Computing kpt #: 102 total cpu time spent up to now is 549.1 secs Computing kpt #: 103 total cpu time spent up to now is 554.7 secs Computing kpt #: 104 total cpu time spent up to now is 559.9 secs Computing kpt #: 105 total cpu time spent up to now is 565.2 secs Computing kpt #: 106 total cpu time spent up to now is 570.4 secs Computing kpt #: 107 total cpu time spent up to now is 575.6 secs Computing kpt #: 108 total cpu time spent up to now is 581.0 secs Computing kpt #: 109 total cpu time spent up to now is 586.4 secs Computing kpt #: 110 total cpu time spent up to now is 591.4 secs Computing kpt #: 111 total cpu time spent up to now is 597.3 secs Computing kpt #: 112 total cpu time spent up to now is 602.4 secs Computing kpt #: 113 total cpu time spent up to now is 607.7 secs Computing kpt #: 114 total cpu time spent up to now is 613.0 secs Computing kpt #: 115 total cpu time spent up to now is 618.2 secs Computing kpt #: 116 total cpu time spent up to now is 623.2 secs Computing kpt #: 117 total cpu time spent up to now is 628.2 secs Computing kpt #: 118 total cpu time spent up to now is 633.1 secs Computing kpt #: 119 total cpu time spent up to now is 638.0 secs Computing kpt #: 120 total cpu time spent up to now is 643.1 secs Computing kpt #: 121 total cpu time spent up to now is 648.2 secs Computing kpt #: 122 total cpu time spent up to now is 653.0 secs Computing kpt #: 123 total cpu time spent up to now is 657.9 secs Computing kpt #: 124 total cpu time spent up to now is 662.8 secs Computing kpt #: 125 total cpu time spent up to now is 667.7 secs Computing kpt #: 126 total cpu time spent up to now is 672.8 secs Computing kpt #: 127 total cpu time spent up to now is 677.6 secs Computing kpt #: 128 total cpu time spent up to now is 682.4 secs Computing kpt #: 129 total cpu time spent up to now is 687.3 secs Computing kpt #: 130 total cpu time spent up to now is 692.1 secs Computing kpt #: 131 total cpu time spent up to now is 697.4 secs Computing kpt #: 132 total cpu time spent up to now is 702.4 secs Computing kpt #: 133 total cpu time spent up to now is 707.2 secs Computing kpt #: 134 total cpu time spent up to now is 712.4 secs Computing kpt #: 135 total cpu time spent up to now is 717.2 secs Computing kpt #: 136 total cpu time spent up to now is 722.4 secs Computing kpt #: 137 total cpu time spent up to now is 727.3 secs Computing kpt #: 138 total cpu time spent up to now is 732.3 secs Computing kpt #: 139 total cpu time spent up to now is 737.1 secs Computing kpt #: 140 total cpu time spent up to now is 741.9 secs Computing kpt #: 141 total cpu time spent up to now is 747.0 secs Computing kpt #: 142 total cpu time spent up to now is 752.0 secs Computing kpt #: 143 total cpu time spent up to now is 757.1 secs Computing kpt #: 144 total cpu time spent up to now is 762.0 secs Computing kpt #: 145 total cpu time spent up to now is 766.9 secs Computing kpt #: 146 total cpu time spent up to now is 771.9 secs Computing kpt #: 147 total cpu time spent up to now is 777.1 secs Computing kpt #: 148 total cpu time spent up to now is 782.1 secs Computing kpt #: 149 total cpu time spent up to now is 787.4 secs Computing kpt #: 150 total cpu time spent up to now is 792.6 secs Computing kpt #: 151 total cpu time spent up to now is 797.7 secs Computing kpt #: 152 total cpu time spent up to now is 803.0 secs Computing kpt #: 153 total cpu time spent up to now is 808.1 secs Computing kpt #: 154 total cpu time spent up to now is 813.2 secs Computing kpt #: 155 total cpu time spent up to now is 818.8 secs Computing kpt #: 156 total cpu time spent up to now is 824.0 secs Computing kpt #: 157 total cpu time spent up to now is 828.8 secs Computing kpt #: 158 total cpu time spent up to now is 833.6 secs Computing kpt #: 159 total cpu time spent up to now is 838.4 secs Computing kpt #: 160 total cpu time spent up to now is 843.2 secs Computing kpt #: 161 total cpu time spent up to now is 848.0 secs Computing kpt #: 162 total cpu time spent up to now is 852.9 secs Computing kpt #: 163 total cpu time spent up to now is 857.6 secs Computing kpt #: 164 total cpu time spent up to now is 862.4 secs Computing kpt #: 165 total cpu time spent up to now is 867.4 secs Computing kpt #: 166 total cpu time spent up to now is 872.4 secs Computing kpt #: 167 total cpu time spent up to now is 877.3 secs Computing kpt #: 168 total cpu time spent up to now is 882.1 secs Computing kpt #: 169 total cpu time spent up to now is 887.1 secs Computing kpt #: 170 total cpu time spent up to now is 892.3 secs Computing kpt #: 171 total cpu time spent up to now is 899.6 secs Computing kpt #: 172 total cpu time spent up to now is 904.8 secs Computing kpt #: 173 total cpu time spent up to now is 909.8 secs Computing kpt #: 174 total cpu time spent up to now is 914.8 secs Computing kpt #: 175 total cpu time spent up to now is 919.9 secs Computing kpt #: 176 total cpu time spent up to now is 924.9 secs Computing kpt #: 177 total cpu time spent up to now is 929.8 secs Computing kpt #: 178 total cpu time spent up to now is 934.9 secs Computing kpt #: 179 total cpu time spent up to now is 939.8 secs Computing kpt #: 180 total cpu time spent up to now is 944.8 secs Computing kpt #: 181 total cpu time spent up to now is 949.8 secs Computing kpt #: 182 total cpu time spent up to now is 954.8 secs Computing kpt #: 183 total cpu time spent up to now is 959.7 secs Computing kpt #: 184 total cpu time spent up to now is 964.8 secs Computing kpt #: 185 total cpu time spent up to now is 969.8 secs Computing kpt #: 186 total cpu time spent up to now is 974.9 secs Computing kpt #: 187 total cpu time spent up to now is 979.9 secs Computing kpt #: 188 total cpu time spent up to now is 984.8 secs Computing kpt #: 189 total cpu time spent up to now is 989.8 secs Computing kpt #: 190 total cpu time spent up to now is 994.8 secs Computing kpt #: 191 total cpu time spent up to now is 999.8 secs Computing kpt #: 192 total cpu time spent up to now is 1004.6 secs Computing kpt #: 193 total cpu time spent up to now is 1009.5 secs Computing kpt #: 194 total cpu time spent up to now is 1014.2 secs Computing kpt #: 195 total cpu time spent up to now is 1018.9 secs Computing kpt #: 196 total cpu time spent up to now is 1023.6 secs Computing kpt #: 197 total cpu time spent up to now is 1028.3 secs Computing kpt #: 198 total cpu time spent up to now is 1032.8 secs Computing kpt #: 199 total cpu time spent up to now is 1037.4 secs Computing kpt #: 200 total cpu time spent up to now is 1041.9 secs Computing kpt #: 201 total cpu time spent up to now is 1046.5 secs Computing kpt #: 202 total cpu time spent up to now is 1051.1 secs Computing kpt #: 203 total cpu time spent up to now is 1055.6 secs Computing kpt #: 204 total cpu time spent up to now is 1060.1 secs Computing kpt #: 205 total cpu time spent up to now is 1064.6 secs Computing kpt #: 206 total cpu time spent up to now is 1069.4 secs Computing kpt #: 207 total cpu time spent up to now is 1073.8 secs Computing kpt #: 208 total cpu time spent up to now is 1078.3 secs Computing kpt #: 209 total cpu time spent up to now is 1082.8 secs Computing kpt #: 210 total cpu time spent up to now is 1087.7 secs Computing kpt #: 211 total cpu time spent up to now is 1092.2 secs Computing kpt #: 212 total cpu time spent up to now is 1096.8 secs Computing kpt #: 213 total cpu time spent up to now is 1101.4 secs Computing kpt #: 214 total cpu time spent up to now is 1106.1 secs Computing kpt #: 215 total cpu time spent up to now is 1110.8 secs Computing kpt #: 216 total cpu time spent up to now is 1115.6 secs Computing kpt #: 217 total cpu time spent up to now is 1120.4 secs Computing kpt #: 218 total cpu time spent up to now is 1125.4 secs Computing kpt #: 219 total cpu time spent up to now is 1130.8 secs Computing kpt #: 220 total cpu time spent up to now is 1136.0 secs Computing kpt #: 221 total cpu time spent up to now is 1141.3 secs Computing kpt #: 222 total cpu time spent up to now is 1146.4 secs Computing kpt #: 223 total cpu time spent up to now is 1151.4 secs Computing kpt #: 224 total cpu time spent up to now is 1156.5 secs Computing kpt #: 225 total cpu time spent up to now is 1161.4 secs Computing kpt #: 226 total cpu time spent up to now is 1166.2 secs Computing kpt #: 227 total cpu time spent up to now is 1171.1 secs Computing kpt #: 228 total cpu time spent up to now is 1176.1 secs Computing kpt #: 229 total cpu time spent up to now is 1180.9 secs Computing kpt #: 230 total cpu time spent up to now is 1185.7 secs Computing kpt #: 231 total cpu time spent up to now is 1190.4 secs Computing kpt #: 232 total cpu time spent up to now is 1196.2 secs Computing kpt #: 233 total cpu time spent up to now is 1200.9 secs Computing kpt #: 234 total cpu time spent up to now is 1205.6 secs Computing kpt #: 235 total cpu time spent up to now is 1210.2 secs Computing kpt #: 236 total cpu time spent up to now is 1214.9 secs Computing kpt #: 237 total cpu time spent up to now is 1219.7 secs Computing kpt #: 238 total cpu time spent up to now is 1224.5 secs Computing kpt #: 239 total cpu time spent up to now is 1229.2 secs Computing kpt #: 240 total cpu time spent up to now is 1234.2 secs Computing kpt #: 241 total cpu time spent up to now is 1239.5 secs Computing kpt #: 242 total cpu time spent up to now is 1244.7 secs Computing kpt #: 243 total cpu time spent up to now is 1250.0 secs Computing kpt #: 244 total cpu time spent up to now is 1255.2 secs Computing kpt #: 245 total cpu time spent up to now is 1260.3 secs Computing kpt #: 246 total cpu time spent up to now is 1265.5 secs Computing kpt #: 247 total cpu time spent up to now is 1270.5 secs Computing kpt #: 248 total cpu time spent up to now is 1275.8 secs Computing kpt #: 249 total cpu time spent up to now is 1280.8 secs Computing kpt #: 250 total cpu time spent up to now is 1285.9 secs Computing kpt #: 251 total cpu time spent up to now is 1290.8 secs Computing kpt #: 252 total cpu time spent up to now is 1295.8 secs Computing kpt #: 253 total cpu time spent up to now is 1300.7 secs Computing kpt #: 254 total cpu time spent up to now is 1305.7 secs Computing kpt #: 255 total cpu time spent up to now is 1310.7 secs Computing kpt #: 256 total cpu time spent up to now is 1315.7 secs Computing kpt #: 257 total cpu time spent up to now is 1320.6 secs Computing kpt #: 258 total cpu time spent up to now is 1325.0 secs Computing kpt #: 259 total cpu time spent up to now is 1329.7 secs Computing kpt #: 260 total cpu time spent up to now is 1334.3 secs Computing kpt #: 261 total cpu time spent up to now is 1339.0 secs Computing kpt #: 262 total cpu time spent up to now is 1343.7 secs Computing kpt #: 263 total cpu time spent up to now is 1348.4 secs Computing kpt #: 264 total cpu time spent up to now is 1353.0 secs Computing kpt #: 265 total cpu time spent up to now is 1357.6 secs Computing kpt #: 266 total cpu time spent up to now is 1362.2 secs Computing kpt #: 267 total cpu time spent up to now is 1366.8 secs Computing kpt #: 268 total cpu time spent up to now is 1371.3 secs Computing kpt #: 269 total cpu time spent up to now is 1375.8 secs Computing kpt #: 270 total cpu time spent up to now is 1380.4 secs Computing kpt #: 271 total cpu time spent up to now is 1385.0 secs Computing kpt #: 272 total cpu time spent up to now is 1389.8 secs ethr = 1.61E-11, avg # of iterations = 29.7 total cpu time spent up to now is 1389.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6443 PWs) bands (ev): -8.2020 -8.2020 -6.6911 -6.6911 -6.6752 -6.6752 -6.6679 -6.6679 -3.0649 -3.0649 1.0921 1.0921 1.3478 1.3478 1.6633 1.6633 1.7282 1.7282 1.8831 1.8831 2.3483 2.3483 2.8764 2.8764 2.9314 2.9314 2.9510 2.9510 3.0559 3.0559 3.1313 3.1313 4.0852 4.0852 4.1867 4.1867 4.3242 4.3242 4.3595 4.3595 4.4324 4.4324 4.4603 4.4603 4.5120 4.5120 4.5841 4.5841 4.7819 4.7819 4.8377 4.8377 4.9578 4.9578 5.1216 5.1216 6.2530 6.2530 6.6582 6.6582 6.8141 6.8141 6.8239 6.8239 7.8738 7.8738 9.0843 9.0843 9.3278 9.3278 9.3491 9.3491 10.9285 10.9285 k = 0.0000 0.0000 0.0216 ( 6443 PWs) bands (ev): -8.2013 -8.2013 -6.6917 -6.6912 -6.6757 -6.6754 -6.6686 -6.6684 -3.0642 -3.0642 1.0891 1.0949 1.3444 1.3504 1.6431 1.6647 1.7302 1.7375 1.8804 1.8935 2.3471 2.3530 2.8748 2.8770 2.9303 2.9315 2.9503 2.9508 3.0532 3.0567 3.1295 3.1312 4.0771 4.0933 4.1844 4.1900 4.3154 4.3327 4.3580 4.3622 4.4326 4.4330 4.4588 4.4608 4.5121 4.5122 4.5757 4.5952 4.7778 4.7870 4.8327 4.8419 4.9523 4.9617 5.1195 5.1283 6.2437 6.2452 6.6597 6.6598 6.8151 6.8173 6.8226 6.8235 7.8737 7.8830 9.0837 9.0839 9.3218 9.3334 9.3473 9.3593 10.9253 10.9290 k = 0.0000 0.0000 0.0432 ( 6459 PWs) bands (ev): -8.1992 -8.1992 -6.6929 -6.6923 -6.6767 -6.6762 -6.6703 -6.6700 -3.0622 -3.0621 1.0858 1.0976 1.3407 1.3516 1.6148 1.6466 1.7339 1.7587 1.8847 1.9105 2.3497 2.3613 2.8724 2.8765 2.9279 2.9308 2.9487 2.9501 3.0487 3.0558 3.1259 3.1291 4.0694 4.1011 4.1830 4.1942 4.3073 4.3393 4.3570 4.3669 4.4334 4.4346 4.4565 4.4604 4.5126 4.5127 4.5703 4.6085 4.7743 4.7928 4.8269 4.8450 4.9459 4.9636 5.1221 5.1388 6.2187 6.2213 6.6621 6.6637 6.8111 6.8158 6.8297 6.8297 7.8830 7.9011 9.0825 9.0826 9.3174 9.3322 9.3605 9.3757 10.9187 10.9262 k = 0.0000 0.0000 0.0648 ( 6463 PWs) bands (ev): -8.1956 -8.1956 -6.6950 -6.6946 -6.6780 -6.6777 -6.6729 -6.6722 -3.0588 -3.0586 1.0819 1.1000 1.3378 1.3514 1.5837 1.6183 1.7366 1.7837 1.8944 1.9321 2.3559 2.3727 2.8689 2.8744 2.9239 2.9296 2.9461 2.9496 3.0423 3.0534 3.1211 3.1252 4.0625 4.1084 4.1825 4.1996 4.3002 4.3430 4.3562 4.3737 4.4348 4.4379 4.4536 4.4596 4.5128 4.5131 4.5687 4.6239 4.7713 4.7992 4.8208 4.8472 4.9391 4.9638 5.1296 5.1529 6.1813 6.1846 6.6612 6.6665 6.8012 6.8068 6.8457 6.8469 7.9015 7.9280 9.0801 9.0811 9.3137 9.3290 9.3836 9.3986 10.9101 10.9207 k = 0.0000 0.0000 0.0864 ( 6457 PWs) bands (ev): -8.1907 -8.1907 -6.6987 -6.6984 -6.6800 -6.6798 -6.6757 -6.6747 -3.0542 -3.0539 1.0770 1.1017 1.3368 1.3499 1.5517 1.5844 1.7383 1.8090 1.9078 1.9565 2.3655 2.3868 2.8639 2.8700 2.9182 2.9280 2.9428 2.9495 3.0345 3.0494 3.1156 3.1200 4.0568 4.1153 4.1827 4.2059 4.2945 4.3445 4.3555 4.3808 4.4367 4.4434 4.4505 4.4586 4.5121 4.5134 4.5713 4.6413 4.7687 4.8061 4.8147 4.8485 4.9326 4.9627 5.1418 5.1699 6.1347 6.1383 6.6542 6.6649 6.7888 6.7945 6.8671 6.8708 7.9293 7.9633 9.0769 9.0795 9.3100 9.3256 9.4138 9.4280 10.9008 10.9137 k = 0.0000 0.0000 0.1080 ( 6457 PWs) bands (ev): -8.1844 -8.1844 -6.7048 -6.7034 -6.6835 -6.6825 -6.6780 -6.6766 -3.0483 -3.0480 1.0708 1.1023 1.3386 1.3473 1.5201 1.5471 1.7391 1.8327 1.9239 1.9825 2.3782 2.4034 2.8567 2.8622 2.9115 2.9264 2.9387 2.9498 3.0259 3.0442 3.1097 3.1139 4.0526 4.1216 4.1837 4.2133 4.2901 4.3447 4.3547 4.3861 4.4392 4.4474 4.4514 4.4582 4.5110 4.5131 4.5780 4.6604 4.7660 4.8090 4.8131 4.8493 4.9271 4.9609 5.1582 5.1897 6.0817 6.0853 6.6393 6.6564 6.7754 6.7806 6.8921 6.8987 7.9660 8.0066 9.0730 9.0779 9.3059 9.3219 9.4504 9.4632 10.8920 10.9065 k = 0.0000 0.0000 0.1296 ( 6445 PWs) bands (ev): -8.1767 -8.1767 -6.7128 -6.7103 -6.6881 -6.6865 -6.6796 -6.6774 -3.0414 -3.0411 1.0631 1.1013 1.3428 1.3438 1.4909 1.5074 1.7390 1.8532 1.9428 2.0095 2.3937 2.4219 2.8465 2.8506 2.9045 2.9244 2.9346 2.9507 3.0176 3.0380 3.1039 3.1074 4.0502 4.1277 4.1854 4.2214 4.2869 4.3442 4.3539 4.3890 4.4411 4.4455 4.4569 4.4629 4.5100 4.5123 4.5886 4.6811 4.7627 4.8043 4.8197 4.8497 4.9230 4.9592 5.1784 5.2121 6.0242 6.0277 6.6162 6.6396 6.7623 6.7666 6.9186 6.9285 8.0113 8.0573 9.0688 9.0764 9.3016 9.3180 9.4922 9.5035 10.8851 10.9005 k = 0.0000 0.0000 0.1512 ( 6425 PWs) bands (ev): -8.1677 -8.1676 -6.7225 -6.7191 -6.6934 -6.6914 -6.6808 -6.6777 -3.0335 -3.0333 1.0541 1.0983 1.3344 1.3525 1.4663 1.4676 1.7375 1.8686 1.9650 2.0375 2.4113 2.4418 2.8325 2.8347 2.8980 2.9202 2.9324 2.9519 3.0106 3.0314 3.0983 3.1008 4.0499 4.1336 4.1877 4.2304 4.2850 4.3432 4.3530 4.3898 4.4394 4.4480 4.4577 4.4730 4.5101 4.5110 4.6031 4.7031 4.7588 4.8009 4.8255 4.8504 4.9208 4.9587 5.2020 5.2368 5.9638 5.9671 6.5849 6.6136 6.7498 6.7540 6.9450 6.9583 8.0644 8.1147 9.0644 9.0749 9.2969 9.3136 9.5381 9.5477 10.8814 10.8972 k = 0.0000 0.0000 0.1728 ( 6421 PWs) bands (ev): -8.1573 -8.1573 -6.7338 -6.7296 -6.6992 -6.6970 -6.6817 -6.6777 -3.0248 -3.0246 1.0441 1.0934 1.3187 1.3646 1.4244 1.4539 1.7340 1.8777 1.9907 2.0662 2.4308 2.4630 2.8146 2.8147 2.8923 2.9132 2.9329 2.9535 3.0056 3.0247 3.0928 3.0944 4.0515 4.1394 4.1907 4.2399 4.2839 4.3418 4.3519 4.3893 4.4365 4.4525 4.4585 4.4816 4.5092 4.5121 4.6214 4.7261 4.7543 4.7989 4.8301 4.8514 4.9208 4.9598 5.2287 5.2637 5.9014 5.9045 6.5463 6.5790 6.7380 6.7427 6.9701 6.9868 8.1244 8.1778 9.0601 9.0735 9.2920 9.3089 9.5869 9.5947 10.8819 10.8978 k = 0.0000 0.0000 0.1944 ( 6403 PWs) bands (ev): -8.1457 -8.1457 -6.7464 -6.7415 -6.7055 -6.7032 -6.6825 -6.6777 -3.0155 -3.0154 1.0334 1.0868 1.2942 1.3724 1.3894 1.4514 1.7286 1.8803 2.0197 2.0958 2.4516 2.4848 2.7907 2.7932 2.8872 2.9051 2.9351 2.9552 3.0026 3.0187 3.0874 3.0882 4.0554 4.1454 4.1943 4.2499 4.2838 4.3401 4.3506 4.3880 4.4336 4.4579 4.4595 4.4872 4.5070 4.5164 4.6434 4.7493 4.7497 4.7983 4.8340 4.8530 4.9232 4.9635 5.2581 5.2927 5.8381 5.8410 6.5013 6.5370 6.7265 6.7324 6.9932 7.0133 8.1900 8.2456 9.0561 9.0720 9.2870 9.3038 9.6375 9.6435 10.8876 10.9034 k = 0.0000 0.0000 0.2160 ( 6403 PWs) bands (ev): -8.1329 -8.1328 -6.7601 -6.7546 -6.7124 -6.7100 -6.6833 -6.6778 -3.0057 -3.0057 1.0226 1.0788 1.2630 1.3356 1.4013 1.4577 1.7213 1.8768 2.0513 2.1262 2.4733 2.5071 2.7636 2.7686 2.8827 2.8972 2.9383 2.9572 3.0013 3.0137 3.0822 3.0823 4.0614 4.1516 4.1985 4.2604 4.2844 4.3382 4.3488 4.3865 4.4309 4.4604 4.4638 4.4906 4.5047 4.5218 4.6686 4.7459 4.7714 4.7988 4.8381 4.8553 4.9281 4.9699 5.2901 5.3237 5.7745 5.7772 6.4508 6.4887 6.7151 6.7225 7.0138 7.0373 8.2601 8.3167 9.0527 9.0704 9.2820 9.2984 9.6886 9.6928 10.8992 10.9149 k = 0.0000 0.0000 0.2376 ( 6411 PWs) bands (ev): -8.1188 -8.1188 -6.7747 -6.7687 -6.7197 -6.7173 -6.6843 -6.6779 -2.9957 -2.9956 1.0122 1.0701 1.2278 1.2926 1.4210 1.4687 1.7133 1.8683 2.0849 2.1576 2.4955 2.5293 2.7340 2.7416 2.8785 2.8903 2.9422 2.9592 3.0012 3.0101 3.0767 3.0770 4.0695 4.1580 4.2031 4.2713 4.2855 4.3360 4.3465 4.3849 4.4285 4.4611 4.4701 4.4929 4.5026 4.5269 4.6954 4.7443 4.7899 4.8005 4.8430 4.8606 4.9352 4.9789 5.3243 5.3566 5.7113 5.7137 6.3957 6.4354 6.7033 6.7124 7.0318 7.0586 8.3330 8.3896 9.0501 9.0687 9.2772 9.2928 9.7394 9.7416 10.9172 10.9330 k = 0.0000 0.0000 0.2592 ( 6407 PWs) bands (ev): -8.1037 -8.1036 -6.7901 -6.7837 -6.7275 -6.7251 -6.6853 -6.6783 -2.9856 -2.9854 1.0026 1.0612 1.1904 1.2495 1.4413 1.4804 1.7063 1.8562 2.1199 2.1897 2.5180 2.5509 2.7028 2.7127 2.8745 2.8849 2.9467 2.9613 3.0022 3.0080 3.0712 3.0719 4.0795 4.1646 4.2082 4.2825 4.2870 4.3336 4.3437 4.3836 4.4268 4.4615 4.4762 4.4951 4.5013 4.5310 4.7180 4.7508 4.8023 4.8040 4.8463 4.8746 4.9444 4.9904 5.3606 5.3912 5.6489 5.6511 6.3368 6.3779 6.6911 6.7019 7.0471 7.0771 8.4071 8.4626 9.0488 9.0669 9.2729 9.2868 9.7890 9.7892 10.9417 10.9580 k = 0.0000 0.0000 0.2808 ( 6411 PWs) bands (ev): -8.0874 -8.0873 -6.8062 -6.7993 -6.7357 -6.7332 -6.6866 -6.6790 -2.9756 -2.9752 0.9939 1.0526 1.1520 1.2068 1.4603 1.4886 1.7034 1.8425 2.1561 2.2227 2.5400 2.5705 2.6718 2.6830 2.8705 2.8810 2.9518 2.9635 3.0038 3.0075 3.0660 3.0668 4.0914 4.1715 4.2136 4.2888 4.2938 4.3310 4.3403 4.3827 4.4257 4.4615 4.4808 4.4972 4.5021 4.5339 4.7270 4.7729 4.8091 4.8109 4.8476 4.8977 4.9554 5.0040 5.3986 5.4273 5.5879 5.5898 6.2749 6.3172 6.6783 6.6907 7.0598 7.0928 8.4809 8.5336 9.0494 9.0648 9.2691 9.2806 9.8348 9.8368 10.9721 10.9894 k = 0.0000 0.0000 0.3024 ( 6394 PWs) bands (ev): -8.0701 -8.0700 -6.8227 -6.8155 -6.7442 -6.7418 -6.6882 -6.6799 -2.9658 -2.9652 0.9865 1.0446 1.1131 1.1649 1.4754 1.4892 1.7082 1.8301 2.1929 2.2562 2.5604 2.5829 2.6467 2.6541 2.8665 2.8784 2.9572 2.9658 3.0060 3.0084 3.0611 3.0618 4.1049 4.1787 4.2193 4.2909 4.3048 4.3286 4.3363 4.3823 4.4255 4.4612 4.4826 4.4991 4.5063 4.5358 4.7303 4.7958 4.8133 4.8284 4.8484 4.9261 4.9680 5.0194 5.4376 5.4644 5.5291 5.5306 6.2107 6.2541 6.6649 6.6788 7.0698 7.1057 8.5526 8.6003 9.0529 9.0625 9.2663 9.2743 9.8783 9.8826 11.0076 11.0265 k = 0.0000 0.0000 0.3240 ( 6398 PWs) bands (ev): -8.0519 -8.0517 -6.8394 -6.8319 -6.7531 -6.7506 -6.6902 -6.6813 -2.9563 -2.9556 0.9801 1.0374 1.0742 1.1241 1.4802 1.4838 1.7222 1.8224 2.2300 2.2900 2.5733 2.5740 2.6317 2.6427 2.8623 2.8768 2.9630 2.9682 3.0085 3.0104 3.0564 3.0569 4.1197 4.1859 4.2250 4.2929 4.3139 4.3279 4.3319 4.3822 4.4259 4.4606 4.4821 4.5006 4.5132 4.5368 4.7338 4.8085 4.8165 4.8495 4.8616 4.9574 4.9817 5.0364 5.4621 5.4682 5.4888 5.5067 6.1449 6.1893 6.6507 6.6661 7.0773 7.1159 8.6205 8.6601 9.0598 9.0604 9.2648 9.2681 9.9195 9.9263 11.0467 11.0677 k = 0.0000 0.0000 0.3456 ( 6394 PWs) bands (ev): -8.0328 -8.0326 -6.8563 -6.8485 -6.7621 -6.7596 -6.6925 -6.6831 -2.9473 -2.9464 0.9743 1.0310 1.0357 1.0852 1.4627 1.4828 1.7444 1.8225 2.2668 2.3240 2.5455 2.5666 2.6308 2.6569 2.8578 2.8758 2.9691 2.9706 3.0112 3.0132 3.0520 3.0521 4.1356 4.1931 4.2307 4.2946 4.3162 4.3274 4.3336 4.3827 4.4272 4.4599 4.4807 4.5017 4.5214 4.5372 4.7387 4.8181 4.8198 4.8517 4.9021 4.9898 4.9961 5.0556 5.4126 5.4144 5.5241 5.5453 6.0785 6.1239 6.6357 6.6526 7.0822 7.1234 8.6828 8.7101 9.0567 9.0732 9.2623 9.2653 9.9589 9.9683 11.0872 11.1107 k = 0.0000 0.0000 0.3672 ( 6416 PWs) bands (ev): -8.0129 -8.0127 -6.8732 -6.8652 -6.7714 -6.7689 -6.6953 -6.6854 -2.9389 -2.9378 0.9675 0.9977 1.0253 1.0497 1.4394 1.4716 1.7718 1.8316 2.3025 2.3576 2.5140 2.5437 2.6470 2.6759 2.8527 2.8750 2.9730 2.9752 3.0140 3.0165 3.0477 3.0483 4.1522 4.2003 4.2362 4.2953 4.3136 4.3236 4.3434 4.3835 4.4292 4.4589 4.4790 4.5020 4.5299 4.5371 4.7453 4.8238 4.8280 4.8551 4.9461 5.0109 5.0214 5.0780 5.3589 5.3620 5.5662 5.5858 6.0121 6.0586 6.6200 6.6383 7.0845 7.1281 8.7378 8.7480 9.0529 9.0915 9.2580 9.2683 9.9970 10.0089 11.1271 11.1531 k = 0.0000 0.0000 0.3888 ( 6412 PWs) bands (ev): -7.9924 -7.9920 -6.8899 -6.8816 -6.7807 -6.7783 -6.6987 -6.6883 -2.9312 -2.9299 0.9560 0.9605 1.0198 1.0214 1.4134 1.4516 1.8015 1.8485 2.3352 2.3903 2.4851 2.5197 2.6676 2.6960 2.8470 2.8740 2.9754 2.9813 3.0165 3.0198 3.0439 3.0454 4.1692 4.2074 4.2414 4.2943 4.3097 4.3218 4.3536 4.3849 4.4319 4.4580 4.4773 4.5018 4.5366 4.5383 4.7536 4.8289 4.8392 4.8603 4.9925 5.0257 5.0494 5.1061 5.3070 5.3127 5.6091 5.6271 5.9468 5.9944 6.6036 6.6231 7.0842 7.1301 8.7730 8.7837 9.0484 9.1132 9.2571 9.2746 10.0344 10.0488 11.1642 11.1924 k = 0.0000 0.0000 0.4104 ( 6412 PWs) bands (ev): -7.9712 -7.9708 -6.9062 -6.8977 -6.7902 -6.7877 -6.7026 -6.6918 -2.9243 -2.9228 0.9242 0.9347 1.0048 1.0140 1.3870 1.4257 1.8307 1.8705 2.3598 2.4202 2.4658 2.5007 2.6891 2.7162 2.8404 2.8726 2.9777 2.9872 3.0182 3.0223 3.0414 3.0440 4.1862 4.2143 4.2460 4.2913 4.3052 4.3224 4.3633 4.3868 4.4349 4.4572 4.4757 4.5012 4.5359 4.5461 4.7633 4.8352 4.8519 4.8675 5.0336 5.0469 5.0720 5.1406 5.2578 5.2673 5.6519 5.6686 5.8834 5.9323 6.5865 6.6071 7.0811 7.1293 8.7859 8.8194 9.0429 9.1324 9.2634 9.2847 10.0718 10.0886 11.1970 11.2268 k = 0.0000 0.0000 0.4319 ( 6428 PWs) bands (ev): -7.9496 -7.9491 -6.9221 -6.9134 -6.7996 -6.7972 -6.7072 -6.6959 -2.9182 -2.9165 0.8889 0.9055 0.9976 1.0069 1.3627 1.3972 1.8568 1.8939 2.3670 2.4420 2.4669 2.4945 2.7107 2.7362 2.8329 2.8704 2.9797 2.9928 3.0182 3.0234 3.0409 3.0447 4.2026 4.2208 4.2496 4.2873 4.3002 4.3253 4.3718 4.3890 4.4382 4.4567 4.4742 4.5002 4.5347 4.5528 4.7740 4.8428 4.8660 4.8770 5.0475 5.0897 5.0948 5.1758 5.2162 5.2271 5.6939 5.7099 5.8231 5.8738 6.5688 6.5903 7.0752 7.1254 8.7891 8.8440 9.0361 9.1423 9.2810 9.2988 10.1101 10.1290 11.2249 11.2555 k = 0.0000 0.0000 0.4535 ( 6420 PWs) bands (ev): -7.9276 -7.9271 -6.9372 -6.9283 -6.8090 -6.8066 -6.7124 -6.7008 -2.9129 -2.9110 0.8548 0.8733 0.9939 0.9976 1.3424 1.3691 1.8773 1.9153 2.3591 2.4496 2.4880 2.5092 2.7319 2.7557 2.8245 2.8674 2.9813 2.9979 3.0166 3.0233 3.0428 3.0473 4.2180 4.2269 4.2518 4.2838 4.2948 4.3301 4.3790 4.3914 4.4414 4.4567 4.4731 4.4992 4.5332 4.5583 4.7850 4.8518 4.8817 4.8889 5.0546 5.1035 5.1459 5.1587 5.1957 5.2341 5.7326 5.7494 5.7683 5.8220 6.5506 6.5729 7.0664 7.1185 8.7845 8.8576 9.0278 9.1410 9.3089 9.3165 10.1498 10.1704 11.2480 11.2788 k = 0.0000 0.0000 0.4751 ( 6404 PWs) bands (ev): -7.9053 -7.9048 -6.9516 -6.9425 -6.8183 -6.8159 -6.7184 -6.7065 -2.9085 -2.9064 0.8219 0.8407 0.9851 0.9898 1.3280 1.3444 1.8902 1.9311 2.3501 2.4544 2.5174 2.5347 2.7521 2.7747 2.8154 2.8635 2.9825 3.0022 3.0140 3.0228 3.0463 3.0511 4.2317 4.2327 4.2515 4.2824 4.2891 4.3365 4.3849 4.3938 4.4445 4.4575 4.4721 4.4984 4.5312 4.5621 4.7951 4.8621 4.8987 4.9032 5.0556 5.1083 5.1248 5.1622 5.2104 5.2811 5.7147 5.7465 5.7924 5.7991 6.5319 6.5549 7.0543 7.1082 8.7740 8.8612 9.0177 9.1314 9.3367 9.3422 10.1914 10.2135 11.2668 11.2973 k = 0.0000 0.0000 0.4967 ( 6404 PWs) bands (ev): -7.8830 -7.8825 -6.9650 -6.9557 -6.8274 -6.8251 -6.7252 -6.7130 -2.9049 -2.9027 0.7904 0.8088 0.9687 0.9829 1.3205 1.3254 1.8944 1.9386 2.3473 2.4660 2.5491 2.5623 2.7693 2.7927 2.8076 2.8591 2.9829 3.0043 3.0127 3.0225 3.0508 3.0553 4.2377 4.2419 4.2498 4.2830 4.2840 4.3444 4.3899 4.3953 4.4472 4.4590 4.4713 4.4979 4.5287 4.5640 4.8029 4.8732 4.9169 4.9193 5.0507 5.0772 5.1259 5.1497 5.2661 5.3325 5.6700 5.7132 5.8281 5.8318 6.5129 6.5365 7.0389 7.0944 8.7587 8.8558 9.0055 9.1160 9.3586 9.3768 10.2353 10.2585 11.2819 11.3118 k = 0.0000 0.0000 0.5183 ( 6404 PWs) bands (ev): -7.8608 -7.8602 -6.9773 -6.9679 -6.8363 -6.8340 -6.7327 -6.7203 -2.9021 -2.8998 0.7603 0.7779 0.9486 0.9716 1.3143 1.3203 1.8901 1.9364 2.3533 2.4860 2.5811 2.5893 2.7753 2.8091 2.8091 2.8549 2.9826 3.0025 3.0147 3.0228 3.0557 3.0596 4.2411 4.2422 4.2545 4.2764 4.2879 4.3537 4.3942 4.3958 4.4494 4.4609 4.4704 4.4980 4.5258 4.5639 4.8063 4.8847 4.9347 4.9359 5.0435 5.0458 5.1307 5.1427 5.3257 5.3866 5.6325 5.6775 5.8651 5.8701 6.4937 6.5177 7.0199 7.0767 8.7396 8.8429 8.9910 9.0964 9.3811 9.4105 10.2816 10.3058 11.2861 11.3048 k = 0.0000 0.0000 0.5399 ( 6396 PWs) bands (ev): -7.8388 -7.8382 -6.9883 -6.9787 -6.8450 -6.8427 -6.7411 -6.7285 -2.9000 -2.8977 0.7318 0.7484 0.9254 0.9552 1.3118 1.3269 1.8784 1.9255 2.3672 2.5133 2.6125 2.6150 2.7671 2.8214 2.8233 2.8536 2.9816 2.9990 3.0181 3.0240 3.0608 3.0638 4.2354 4.2456 4.2609 4.2697 4.2931 4.3644 4.3948 4.3987 4.4511 4.4630 4.4695 4.4987 4.5224 4.5618 4.8040 4.8955 4.9423 4.9553 5.0278 5.0392 5.1337 5.1397 5.3873 5.4428 5.6030 5.6479 5.9017 5.9069 6.4747 6.4987 6.9971 7.0550 8.7172 8.8237 8.9738 9.0731 9.4036 9.4422 10.3305 10.3553 11.2429 11.2889 k = 0.0000 0.0000 0.5615 ( 6400 PWs) bands (ev): -7.8173 -7.8166 -6.9979 -6.9882 -6.8533 -6.8511 -6.7503 -6.7375 -2.8987 -2.8963 0.7048 0.7204 0.9000 0.9343 1.3176 1.3396 1.8612 1.9078 2.3861 2.5454 2.6386 2.6430 2.7548 2.8254 2.8407 2.8599 2.9800 2.9951 3.0219 3.0259 3.0659 3.0677 4.2289 4.2475 4.2632 4.2658 4.2990 4.3760 4.3929 4.4029 4.4524 4.4648 4.4681 4.5001 4.5186 4.5578 4.7957 4.9020 4.9358 4.9742 5.0318 5.0390 5.1361 5.1402 5.4501 5.5006 5.5820 5.6257 5.9369 5.9419 6.4559 6.4798 6.9704 7.0289 8.6922 8.7994 8.9538 9.0467 9.4258 9.4715 10.3818 10.4073 11.1917 11.2376 k = 0.0000 0.0000 0.5831 ( 6408 PWs) bands (ev): -7.7963 -7.7956 -7.0059 -6.9960 -6.8613 -6.8591 -6.7604 -6.7475 -2.8980 -2.8955 0.6794 0.6940 0.8736 0.9100 1.3305 1.3573 1.8404 1.8859 2.4068 2.5788 2.6589 2.6723 2.7440 2.8232 2.8582 2.8723 2.9780 2.9911 3.0257 3.0285 3.0708 3.0712 4.2222 4.2454 4.2592 4.2692 4.3051 4.3882 4.3902 4.4071 4.4534 4.4659 4.4661 4.5019 4.5145 4.5523 4.7831 4.8940 4.9313 4.9918 5.0400 5.0487 5.1418 5.1472 5.5128 5.5582 5.5700 5.6119 5.9701 5.9748 6.4376 6.4611 6.9395 6.9983 8.6652 8.7711 8.9311 9.0172 9.4476 9.4984 10.4355 10.4615 11.1392 11.1834 k = 0.0000 0.0000 0.6047 ( 6414 PWs) bands (ev): -7.7761 -7.7754 -7.0123 -7.0023 -6.8688 -6.8667 -6.7713 -6.7583 -2.8978 -2.8954 0.6558 0.6692 0.8470 0.8837 1.3490 1.3788 1.8178 1.8620 2.4262 2.6076 2.6737 2.6998 2.7418 2.8206 2.8749 2.8862 2.9759 2.9874 3.0296 3.0317 3.0744 3.0756 4.2155 4.2383 4.2588 4.2716 4.3112 4.3869 4.4002 4.4114 4.4542 4.4627 4.4670 4.5039 4.5103 4.5458 4.7684 4.8733 4.9346 5.0055 5.0399 5.0652 5.1569 5.1644 5.5542 5.5865 5.5924 5.6283 6.0011 6.0055 6.4203 6.4430 6.9045 6.9629 8.6369 8.7397 8.9057 8.9850 9.4689 9.5229 10.4912 10.5178 11.0863 11.1285 k = 0.0000 0.0000 0.6263 ( 6412 PWs) bands (ev): -7.7569 -7.7562 -7.0169 -7.0067 -6.8759 -6.8738 -6.7831 -6.7701 -2.8980 -2.8957 0.6339 0.6462 0.8210 0.8567 1.3715 1.4031 1.7950 1.8379 2.4418 2.6206 2.6858 2.7245 2.7549 2.8210 2.8905 2.8999 2.9737 2.9838 3.0336 3.0355 3.0771 3.0801 4.2088 4.2287 4.2597 4.2731 4.3175 4.3833 4.4117 4.4156 4.4549 4.4583 4.4676 4.5045 4.5070 4.5389 4.7539 4.8512 4.9370 5.0075 5.0451 5.0760 5.1852 5.1921 5.5568 5.5917 5.6470 5.6846 6.0299 6.0338 6.4042 6.4255 6.8653 6.9228 8.6079 8.7062 8.8778 8.9504 9.4899 9.5453 10.5487 10.5760 11.0340 11.0739 k = 0.0000 0.0000 0.6479 ( 6410 PWs) bands (ev): -7.7388 -7.7381 -7.0196 -7.0092 -6.8826 -6.8805 -6.7956 -6.7826 -2.8986 -2.8963 0.6138 0.6250 0.7962 0.8299 1.3964 1.4291 1.7733 1.8152 2.4516 2.6120 2.7028 2.7446 2.7806 2.8273 2.9048 2.9128 2.9715 2.9806 3.0378 3.0397 3.0794 3.0842 4.2021 4.2179 4.2604 4.2738 4.3239 4.3798 4.4197 4.4220 4.4516 4.4567 4.4681 4.5007 4.5074 4.5324 4.7410 4.8307 4.9353 4.9964 5.0588 5.0838 5.2243 5.2281 5.5600 5.5914 5.7099 5.7431 6.0566 6.0596 6.3897 6.4091 6.8222 6.8781 8.5789 8.6715 8.8480 8.9138 9.5104 9.5657 10.6077 10.6359 10.9832 11.0206 k = 0.0000 0.0000 0.6695 ( 6422 PWs) bands (ev): -7.7220 -7.7213 -7.0204 -7.0098 -6.8887 -6.8867 -6.8088 -6.7959 -2.8995 -2.8973 0.5955 0.6057 0.7730 0.8043 1.4223 1.4553 1.7541 1.7952 2.4548 2.5911 2.7208 2.7587 2.8126 2.8412 2.9176 2.9244 2.9694 2.9777 3.0421 3.0442 3.0812 3.0880 4.1953 4.2063 4.2609 4.2737 4.3305 4.3763 4.4234 4.4296 4.4450 4.4584 4.4687 4.4962 4.5075 4.5268 4.7308 4.8128 4.9294 4.9797 5.0750 5.0919 5.2703 5.2703 5.5655 5.5935 5.7709 5.7998 6.0813 6.0829 6.3772 6.3938 6.7756 6.8290 8.5507 8.6363 8.8168 8.8759 9.5305 9.5842 10.6678 10.6970 10.9349 10.9696 k = 0.0000 0.0000 0.6911 ( 6412 PWs) bands (ev): -7.7066 -7.7060 -7.0192 -7.0084 -6.8943 -6.8923 -6.8227 -6.8099 -2.9005 -2.8985 0.5791 0.5882 0.7518 0.7802 1.4475 1.4803 1.7389 1.7791 2.4515 2.5647 2.7368 2.7681 2.8466 2.8610 2.9290 2.9345 2.9676 2.9754 3.0466 3.0490 3.0825 3.0913 4.1884 4.1945 4.2612 4.2732 4.3373 4.3733 4.4266 4.4298 4.4425 4.4615 4.4695 4.4920 4.5068 4.5225 4.7237 4.7977 4.9200 4.9613 5.0913 5.1016 5.3169 5.3207 5.5725 5.5971 5.8285 5.8529 6.1042 6.1046 6.3670 6.3799 6.7260 6.7762 8.5239 8.6016 8.7849 8.8374 9.5499 9.6008 10.7285 10.7591 10.8898 10.9217 k = 0.0000 0.0000 0.7127 ( 6410 PWs) bands (ev): -7.6929 -7.6923 -7.0160 -7.0049 -6.8993 -6.8973 -6.8371 -6.8245 -2.9016 -2.8998 0.5646 0.5726 0.7329 0.7581 1.4705 1.5020 1.7294 1.7680 2.4424 2.5355 2.7505 2.7750 2.8795 2.8835 2.9391 2.9431 2.9661 2.9738 3.0513 3.0540 3.0834 3.0942 4.1814 4.1829 4.2612 4.2721 4.3441 4.3707 4.4223 4.4290 4.4448 4.4657 4.4704 4.4880 4.5052 4.5193 4.7196 4.7854 4.9085 4.9427 5.1069 5.1124 5.3666 5.3738 5.5803 5.6017 5.8808 5.9005 6.1240 6.1272 6.3592 6.3675 6.6746 6.7204 8.4989 8.5680 8.7535 8.7992 9.5686 9.6155 10.7889 10.8214 10.8489 10.8782 k = 0.0000 0.0000 0.7343 ( 6414 PWs) bands (ev): -7.6808 -7.6803 -7.0109 -6.9996 -6.9038 -6.9016 -6.8520 -6.8397 -2.9028 -2.9011 0.5521 0.5589 0.7165 0.7382 1.4897 1.5186 1.7269 1.7627 2.4293 2.5051 2.7620 2.7807 2.9058 2.9088 2.9482 2.9497 2.9655 2.9734 3.0559 3.0589 3.0839 3.0964 4.1720 4.1742 4.2611 4.2706 4.3511 4.3686 4.4140 4.4305 4.4468 4.4704 4.4707 4.4853 4.5031 4.5170 4.7185 4.7755 4.8962 4.9246 5.1212 5.1235 5.4181 5.4281 5.5882 5.6065 5.9259 5.9408 6.1433 6.1498 6.3538 6.3563 6.6227 6.6629 8.4765 8.5362 8.7236 8.7624 9.5862 9.6282 10.8125 10.8308 10.8572 10.8833 k = 0.0000 0.0000 0.7559 ( 6410 PWs) bands (ev): -7.6705 -7.6701 -7.0039 -6.9923 -6.9078 -6.9054 -6.8671 -6.8552 -2.9038 -2.9024 0.5415 0.5472 0.7026 0.7209 1.5042 1.5289 1.7319 1.7632 2.4137 2.4748 2.7717 2.7856 2.9257 2.9317 2.9543 2.9556 2.9683 2.9751 3.0604 3.0636 3.0841 3.0979 4.1623 4.1671 4.2610 4.2689 4.3576 4.3670 4.4068 4.4308 4.4481 4.4691 4.4748 4.4850 4.5009 4.5153 4.7198 4.7679 4.8841 4.9077 5.1339 5.1343 5.4699 5.4817 5.5960 5.6114 5.9621 5.9724 6.1631 6.1728 6.3462 6.3502 6.5722 6.6054 8.4570 8.5069 8.6963 8.7283 9.6025 9.6388 10.7815 10.8011 10.9115 10.9436 k = 0.0000 0.0000 0.7775 ( 6406 PWs) bands (ev): -7.6620 -7.6617 -6.9952 -6.9833 -6.9114 -6.9084 -6.8821 -6.8710 -2.9047 -2.9036 0.5330 0.5375 0.6915 0.7062 1.5140 1.5334 1.7429 1.7686 2.3979 2.4458 2.7797 2.7898 2.9415 2.9457 2.9566 2.9581 2.9792 2.9800 3.0646 3.0680 3.0841 3.0986 4.1541 4.1602 4.2609 4.2672 4.3631 4.3660 4.4019 4.4299 4.4491 4.4658 4.4785 4.4866 4.4990 4.5139 4.7230 4.7620 4.8732 4.8924 5.1440 5.1447 5.5199 5.5322 5.6033 5.6162 5.9886 5.9953 6.1834 6.1951 6.3371 6.3478 6.5257 6.5504 8.4409 8.4807 8.6727 8.6979 9.6171 9.6470 10.7560 10.7723 10.9680 11.0010 k = 0.0000 0.0000 0.7991 ( 6406 PWs) bands (ev): -7.6554 -7.6552 -6.9850 -6.9727 -6.9152 -6.9108 -6.8963 -6.8868 -2.9055 -2.9046 0.5264 0.5298 0.6832 0.6943 1.5200 1.5340 1.7570 1.7764 2.3838 2.4194 2.7860 2.7931 2.9518 2.9531 2.9574 2.9582 2.9880 2.9928 3.0683 3.0718 3.0844 3.0984 4.1479 4.1538 4.2609 4.2655 4.3655 4.3668 4.4004 4.4275 4.4500 4.4619 4.4814 4.4886 4.4980 4.5123 4.7275 4.7573 4.8642 4.8791 5.1523 5.1533 5.5649 5.5754 5.6106 5.6217 6.0063 6.0104 6.2028 6.2145 6.3295 6.3457 6.4861 6.5012 8.4287 8.4584 8.6539 8.6725 9.6298 9.6526 10.7365 10.7489 11.0207 11.0531 k = 0.0000 0.0000 0.8207 ( 6410 PWs) bands (ev): -7.6507 -7.6505 -6.9734 -6.9609 -6.9215 -6.9125 -6.9071 -6.9025 -2.9060 -2.9054 0.5219 0.5242 0.6778 0.6851 1.5236 1.5325 1.7709 1.7839 2.3736 2.3973 2.7907 2.7952 2.9570 2.9571 2.9579 2.9583 2.9970 3.0033 3.0713 3.0745 3.0854 3.0970 4.1437 4.1484 4.2610 4.2640 4.3655 4.3681 4.4024 4.4237 4.4509 4.4584 4.4837 4.4893 4.4991 4.5103 4.7329 4.7530 4.8580 4.8684 5.1585 5.1595 5.5976 5.6032 5.6214 5.6322 6.0171 6.0195 6.2189 6.2282 6.3250 6.3424 6.4559 6.4622 8.4208 8.4404 8.6406 8.6528 9.6402 9.6557 10.7230 10.7314 11.0673 11.0956 k = 0.0000 0.0000 0.8423 ( 6424 PWs) bands (ev): -7.6478 -7.6478 -6.9608 -6.9482 -6.9326 -6.9179 -6.9132 -6.9117 -2.9062 -2.9059 0.5194 0.5205 0.6752 0.6789 1.5260 1.5303 1.7818 1.7883 2.3690 2.3809 2.7939 2.7961 2.9573 2.9574 2.9599 2.9601 3.0046 3.0087 3.0736 3.0756 3.0879 3.0946 4.1418 4.1444 4.2613 4.2628 4.3659 4.3677 4.4070 4.4187 4.4521 4.4556 4.4855 4.4885 4.5018 4.5079 4.7385 4.7487 4.8551 4.8604 5.1625 5.1631 5.6097 5.6118 5.6401 5.6468 6.0228 6.0240 6.2297 6.2346 6.3253 6.3369 6.4368 6.4380 8.4178 8.4275 8.6336 8.6396 9.6481 9.6560 10.7158 10.7200 11.1039 11.1219 k = 0.0000 0.0000 0.8639 ( 6424 PWs) bands (ev): -7.6469 -7.6469 -6.9480 -6.9480 -6.9322 -6.9322 -6.9132 -6.9132 -2.9062 -2.9062 0.5189 0.5189 0.6756 0.6756 1.5281 1.5281 1.7878 1.7878 2.3713 2.3713 2.7957 2.7957 2.9573 2.9573 2.9608 2.9608 3.0088 3.0088 3.0751 3.0751 3.0913 3.0913 4.1421 4.1421 4.2619 4.2619 4.3668 4.3668 4.4128 4.4128 4.4536 4.4536 4.4872 4.4872 4.5050 4.5050 4.7438 4.7438 4.8559 4.8559 5.1641 5.1641 5.6127 5.6127 5.6510 5.6510 6.0250 6.0250 6.2348 6.2348 6.3302 6.3302 6.4301 6.4301 8.4199 8.4199 8.6332 8.6332 9.6534 9.6534 10.7147 10.7147 11.1245 11.1245 k = 0.0000 0.0000 0.8639 ( 6424 PWs) bands (ev): -7.6469 -7.6469 -6.9480 -6.9480 -6.9322 -6.9322 -6.9132 -6.9132 -2.9062 -2.9062 0.5189 0.5189 0.6756 0.6756 1.5281 1.5281 1.7878 1.7878 2.3713 2.3713 2.7957 2.7957 2.9573 2.9573 2.9608 2.9608 3.0088 3.0088 3.0751 3.0751 3.0913 3.0913 4.1421 4.1421 4.2619 4.2619 4.3668 4.3668 4.4128 4.4128 4.4536 4.4536 4.4872 4.4872 4.5050 4.5050 4.7438 4.7438 4.8559 4.8559 5.1641 5.1641 5.6127 5.6127 5.6510 5.6510 6.0250 6.0250 6.2348 6.2348 6.3302 6.3302 6.4301 6.4301 8.4199 8.4199 8.6332 8.6332 9.6534 9.6534 10.7147 10.7147 11.1245 11.1245 k =-0.0126 0.0177 0.8639 ( 6430 PWs) bands (ev): -7.6469 -7.6469 -6.9479 -6.9476 -6.9323 -6.9321 -6.9138 -6.9136 -2.9055 -2.9054 0.5181 0.5219 0.6766 0.6781 1.5274 1.5288 1.7859 1.7902 2.3705 2.3727 2.7879 2.8014 2.9551 2.9566 2.9601 2.9617 3.0034 3.0128 3.0726 3.0760 3.0916 3.0923 4.1414 4.1431 4.2609 4.2630 4.3639 4.3681 4.4116 4.4137 4.4502 4.4569 4.4854 4.4894 4.5012 4.5087 4.7401 4.7477 4.8542 4.8574 5.1582 5.1663 5.6092 5.6163 5.6502 5.6505 6.0220 6.0235 6.2326 6.2336 6.3172 6.3378 6.4210 6.4455 8.4181 8.4302 8.6313 8.6413 9.6524 9.6535 10.7067 10.7102 11.1303 11.1330 k =-0.0252 0.0355 0.8639 ( 6408 PWs) bands (ev): -7.6470 -7.6469 -6.9475 -6.9469 -6.9323 -6.9320 -6.9154 -6.9150 -2.9033 -2.9031 0.5194 0.5270 0.6812 0.6841 1.5268 1.5296 1.7844 1.7929 2.3703 2.3747 2.7781 2.8051 2.9505 2.9534 2.9597 2.9620 2.9972 3.0144 3.0703 3.0741 3.0933 3.0940 4.1412 4.1445 4.2602 4.2644 4.3600 4.3678 4.4103 4.4140 4.4471 4.4603 4.4842 4.4911 4.4987 4.5121 4.7366 4.7517 4.8524 4.8588 5.1491 5.1651 5.6058 5.6200 5.6483 5.6487 6.0144 6.0175 6.2270 6.2291 6.3006 6.3349 6.4232 6.4652 8.4242 8.4483 8.6359 8.6559 9.6503 9.6526 10.6868 10.6932 11.1498 11.1556 k =-0.0378 0.0532 0.8639 ( 6392 PWs) bands (ev): -7.6471 -7.6471 -6.9472 -6.9459 -6.9322 -6.9318 -6.9181 -6.9171 -2.8996 -2.8993 0.5229 0.5342 0.6892 0.6934 1.5262 1.5304 1.7834 1.7962 2.3707 2.3772 2.7662 2.8065 2.9441 2.9472 2.9591 2.9618 2.9910 3.0133 3.0691 3.0704 3.0937 3.0977 4.1414 4.1460 4.2596 4.2660 4.3550 4.3655 4.4094 4.4137 4.4441 4.4634 4.4834 4.4896 4.5000 4.5150 4.7333 4.7558 4.8505 4.8603 5.1370 5.1604 5.6025 5.6236 5.6451 5.6455 6.0022 6.0071 6.2180 6.2213 6.2809 6.3198 6.4389 6.4894 8.4369 8.4723 8.6478 8.6773 9.6472 9.6504 10.6567 10.6653 11.1819 11.1919 k =-0.0504 0.0710 0.8639 ( 6388 PWs) bands (ev): -7.6474 -7.6473 -6.9475 -6.9447 -6.9317 -6.9316 -6.9213 -6.9197 -2.8945 -2.8941 0.5288 0.5435 0.7008 0.7060 1.5255 1.5311 1.7828 1.7998 2.3717 2.3802 2.7522 2.8054 2.9364 2.9378 2.9583 2.9614 2.9851 3.0093 3.0655 3.0691 3.0932 3.1018 4.1421 4.1478 4.2592 4.2677 4.3491 4.3615 4.4092 4.4131 4.4411 4.4660 4.4828 4.4860 4.5039 4.5172 4.7303 4.7599 4.8484 4.8616 5.1226 5.1527 5.5992 5.6270 5.6405 5.6407 5.9852 5.9924 6.2055 6.2106 6.2582 6.2961 6.4650 6.5186 8.4543 8.4994 8.6684 8.7058 9.6427 9.6465 10.6185 10.6284 11.2233 11.2401 k =-0.0630 0.0887 0.8639 ( 6394 PWs) bands (ev): -7.6478 -7.6477 -6.9493 -6.9438 -6.9328 -6.9301 -6.9237 -6.9221 -2.8881 -2.8877 0.5370 0.5548 0.7158 0.7218 1.5248 1.5316 1.7826 1.8038 2.3733 2.3835 2.7362 2.8012 2.9260 2.9276 2.9573 2.9609 2.9793 3.0031 3.0599 3.0698 3.0921 3.1058 4.1432 4.1497 4.2589 4.2695 4.3426 4.3560 4.4096 4.4122 4.4381 4.4679 4.4821 4.4823 4.5085 4.5188 4.7276 4.7641 4.8461 4.8629 5.1065 5.1424 5.5961 5.6300 5.6344 5.6345 5.9636 5.9736 6.1894 6.1978 6.2336 6.2670 6.4986 6.5530 8.4744 8.5261 8.6990 8.7416 9.6365 9.6407 10.5745 10.5849 11.2634 11.2893 k =-0.0756 0.1065 0.8639 ( 6398 PWs) bands (ev): -7.6483 -7.6483 -6.9530 -6.9436 -6.9364 -6.9274 -6.9240 -6.9231 -2.8807 -2.8802 0.5475 0.5682 0.7341 0.7407 1.5239 1.5319 1.7830 1.8081 2.3754 2.3872 2.7181 2.7933 2.9132 2.9180 2.9560 2.9602 2.9736 2.9955 3.0538 3.0701 3.0910 3.1097 4.1449 4.1516 4.2588 4.2714 4.3358 4.3496 4.4104 4.4113 4.4350 4.4693 4.4784 4.4818 4.5135 4.5198 4.7254 4.7684 4.8435 4.8642 5.0893 5.1302 5.5929 5.6253 5.6266 5.6338 5.9377 5.9509 6.1689 6.1833 6.2087 6.2342 6.5380 6.5924 8.4951 8.5497 8.7398 8.7840 9.6282 9.6323 10.5267 10.5371 11.2807 11.2986 k =-0.0881 0.1242 0.8639 ( 6406 PWs) bands (ev): -7.6492 -7.6491 -6.9588 -6.9469 -6.9390 -6.9253 -6.9235 -6.9201 -2.8722 -2.8717 0.5604 0.5837 0.7555 0.7626 1.5227 1.5318 1.7838 1.8129 2.3780 2.3908 2.6982 2.7806 2.9008 2.9079 2.9542 2.9594 2.9679 2.9872 3.0472 3.0686 3.0906 3.1134 4.1471 4.1535 4.2588 4.2734 4.3290 4.3427 4.4105 4.4117 4.4318 4.4695 4.4755 4.4810 4.5185 4.5203 4.7238 4.7728 4.8407 4.8655 5.0718 5.1164 5.5898 5.6145 5.6167 5.6364 5.9082 5.9250 6.1431 6.1675 6.1856 6.1993 6.5821 6.6361 8.5151 8.5694 8.7890 8.8321 9.6172 9.6210 10.4772 10.4871 11.2767 11.2917 k =-0.1007 0.1419 0.8639 ( 6414 PWs) bands (ev): -7.6504 -7.6503 -6.9662 -6.9542 -6.9389 -6.9256 -6.9188 -6.9158 -2.8630 -2.8625 0.5757 0.6012 0.7801 0.7872 1.5211 1.5312 1.7852 1.8179 2.3811 2.3944 2.6766 2.7625 2.8901 2.8976 2.9520 2.9581 2.9625 2.9788 3.0402 3.0647 3.0916 3.1168 4.1499 4.1554 4.2588 4.2753 4.3223 4.3356 4.4099 4.4130 4.4284 4.4678 4.4743 4.4799 4.5204 4.5233 4.7228 4.7773 4.8375 4.8668 5.0546 5.1017 5.5867 5.6009 5.6043 5.6388 5.8761 5.8969 6.1128 6.1490 6.1648 6.1650 6.6300 6.6835 8.5333 8.5854 8.8435 8.8837 9.6031 9.6061 10.4278 10.4372 11.2609 11.2771 k =-0.1133 0.1597 0.8639 ( 6412 PWs) bands (ev): -7.6520 -7.6519 -6.9751 -6.9633 -6.9380 -6.9253 -6.9132 -6.9105 -2.8533 -2.8528 0.5935 0.6209 0.8075 0.8145 1.5191 1.5300 1.7871 1.8233 2.3846 2.3974 2.6539 2.7389 2.8819 2.8874 2.9490 2.9548 2.9590 2.9711 3.0328 3.0588 3.0936 3.1200 4.1533 4.1570 4.2590 4.2769 4.3163 4.3284 4.4094 4.4145 4.4247 4.4648 4.4742 4.4785 4.5205 4.5279 4.7226 4.7820 4.8341 4.8683 5.0381 5.0863 5.5835 5.5840 5.5886 5.6407 5.8429 5.8676 6.0798 6.1197 6.1403 6.1455 6.6807 6.7339 8.5488 8.5978 8.8998 8.9368 9.5854 9.5874 10.3802 10.3891 11.2367 11.2556 k =-0.1259 0.1774 0.8639 ( 6416 PWs) bands (ev): -7.6540 -7.6539 -6.9851 -6.9734 -6.9365 -6.9242 -6.9070 -6.9044 -2.8432 -2.8428 0.6137 0.6426 0.8376 0.8442 1.5165 1.5280 1.7896 1.8289 2.3884 2.3994 2.6304 2.7104 2.8758 2.8773 2.9448 2.9495 2.9575 2.9647 3.0251 3.0513 3.0961 3.1229 4.1571 4.1583 4.2593 4.2780 4.3113 4.3212 4.4092 4.4157 4.4206 4.4616 4.4745 4.4768 4.5206 4.5323 4.7232 4.7868 4.8305 4.8699 5.0229 5.0706 5.5634 5.5690 5.5801 5.6419 5.8101 5.8385 6.0457 6.0833 6.1223 6.1269 6.7335 6.7862 8.5612 8.6066 8.9551 8.9889 9.5635 9.5643 10.3363 10.3446 11.2059 11.2280 k =-0.1259 0.1774 0.8639 ( 6416 PWs) bands (ev): -7.6540 -7.6539 -6.9851 -6.9734 -6.9365 -6.9242 -6.9070 -6.9044 -2.8432 -2.8428 0.6137 0.6426 0.8376 0.8442 1.5165 1.5280 1.7896 1.8289 2.3884 2.3994 2.6304 2.7104 2.8758 2.8773 2.9448 2.9495 2.9575 2.9647 3.0251 3.0513 3.0961 3.1229 4.1571 4.1583 4.2593 4.2780 4.3113 4.3212 4.4092 4.4157 4.4206 4.4616 4.4745 4.4768 4.5206 4.5323 4.7232 4.7868 4.8305 4.8699 5.0229 5.0706 5.5634 5.5690 5.5801 5.6419 5.8101 5.8385 6.0457 6.0833 6.1223 6.1269 6.7335 6.7862 8.5612 8.6066 8.9551 8.9889 9.5635 9.5643 10.3363 10.3446 11.2059 11.2280 k =-0.1348 0.1900 0.8485 ( 6428 PWs) bands (ev): -7.6560 -7.6559 -6.9926 -6.9810 -6.9389 -6.9268 -6.9003 -6.8934 -2.8359 -2.8355 0.6300 0.6598 0.8609 0.8675 1.5145 1.5265 1.7898 1.8313 2.3896 2.4045 2.6138 2.6876 2.8693 2.8719 2.9409 2.9451 2.9562 2.9607 3.0197 3.0455 3.0975 3.1245 4.1578 4.1621 4.2595 4.2781 4.3086 4.3161 4.4091 4.4152 4.4186 4.4594 4.4744 4.4759 4.5207 4.5352 4.7238 4.7895 4.8288 4.8727 5.0131 5.0595 5.5415 5.5485 5.5772 5.6415 5.7875 5.8184 6.0233 6.0577 6.1096 6.1148 6.7735 6.8258 8.5682 8.6115 8.9924 9.0253 9.5396 9.5487 10.3108 10.3195 11.1782 11.2035 k =-0.1437 0.2025 0.8331 ( 6424 PWs) bands (ev): -7.6588 -7.6586 -7.0002 -6.9886 -6.9448 -6.9334 -6.8880 -6.8787 -2.8286 -2.8280 0.6484 0.6788 0.8864 0.8938 1.5128 1.5256 1.7866 1.8302 2.3892 2.4156 2.5977 2.6624 2.8597 2.8666 2.9352 2.9412 2.9528 2.9574 3.0151 3.0403 3.0984 3.1254 4.1585 4.1678 4.2596 4.2779 4.3067 4.3113 4.4091 4.4122 4.4188 4.4574 4.4741 4.4758 4.5210 4.5380 4.7239 4.7905 4.8295 4.8788 5.0047 5.0486 5.5095 5.5185 5.5728 5.6388 5.7646 5.7979 6.0047 6.0341 6.0967 6.1046 6.8173 6.8687 8.5739 8.6155 9.0269 9.0630 9.5093 9.5301 10.2947 10.3045 11.1454 11.1739 k =-0.1526 0.2151 0.8177 ( 6430 PWs) bands (ev): -7.6623 -7.6620 -7.0077 -6.9961 -6.9515 -6.9408 -6.8735 -6.8631 -2.8212 -2.8204 0.6689 0.6997 0.9140 0.9228 1.5116 1.5253 1.7801 1.8257 2.3880 2.4296 2.5831 2.6352 2.8484 2.8599 2.9270 2.9376 2.9466 2.9559 3.0119 3.0359 3.0985 3.1257 4.1598 4.1744 4.2596 4.2770 4.3055 4.3067 4.4073 4.4102 4.4193 4.4557 4.4735 4.4762 4.5214 4.5406 4.7238 4.7898 4.8325 4.8878 4.9981 5.0383 5.4703 5.4811 5.5659 5.6332 5.7404 5.7761 5.9889 6.0125 6.0853 6.0969 6.8637 6.9142 8.5773 8.6177 9.0567 9.1019 9.4731 9.5090 10.2894 10.3006 11.1100 11.1410 k =-0.1616 0.2276 0.8023 ( 6435 PWs) bands (ev): -7.6662 -7.6659 -7.0152 -7.0036 -6.9584 -6.9484 -6.8581 -6.8470 -2.8138 -2.8128 0.6914 0.7222 0.9435 0.9545 1.5107 1.5257 1.7707 1.8183 2.3847 2.4451 2.5714 2.6060 2.8356 2.8525 2.9166 2.9299 2.9426 2.9557 3.0101 3.0326 3.0981 3.1253 4.1616 4.1818 4.2592 4.2758 4.3022 4.3048 4.4024 4.4111 4.4194 4.4541 4.4731 4.4772 4.5218 4.5433 4.7238 4.7879 4.8374 4.8990 4.9938 5.0291 5.4262 5.4383 5.5561 5.6240 5.7145 5.7524 5.9747 5.9926 6.0770 6.0925 6.9118 6.9614 8.5779 8.6176 9.0803 9.1414 9.4315 9.4872 10.2959 10.3081 11.0736 11.1064 k =-0.1705 0.2402 0.7870 ( 6438 PWs) bands (ev): -7.6705 -7.6702 -7.0224 -7.0108 -6.9652 -6.9558 -6.8423 -6.8308 -2.8064 -2.8052 0.7159 0.7465 0.9751 0.9885 1.5103 1.5269 1.7587 1.8082 2.3774 2.4608 2.5631 2.5756 2.8218 2.8449 2.9041 2.9170 2.9424 2.9565 3.0096 3.0304 3.0970 3.1243 4.1640 4.1898 4.2584 4.2745 4.2980 4.3045 4.3967 4.4127 4.4190 4.4529 4.4731 4.4789 4.5222 4.5462 4.7244 4.7855 4.8437 4.9120 4.9919 5.0214 5.3791 5.3923 5.5427 5.6103 5.6873 5.7269 5.9611 5.9741 6.0724 6.0915 6.9607 7.0096 8.5751 8.6143 9.0960 9.1807 9.3853 9.4675 10.3140 10.3269 11.0373 11.0714 k =-0.1794 0.2527 0.7716 ( 6432 PWs) bands (ev): -7.6751 -7.6748 -7.0294 -7.0178 -6.9718 -6.9630 -6.8265 -6.8146 -2.7992 -2.7976 0.7421 0.7722 1.0084 1.0247 1.5104 1.5286 1.7448 1.7961 2.3647 2.4753 2.5405 2.5624 2.8077 2.8378 2.8897 2.9013 2.9437 2.9582 3.0099 3.0290 3.0955 3.1228 4.1668 4.1980 4.2571 4.2733 4.2939 4.3043 4.3902 4.4147 4.4181 4.4518 4.4737 4.4813 4.5228 4.5495 4.7261 4.7831 4.8509 4.9262 4.9923 5.0157 5.3306 5.3446 5.5255 5.5917 5.6592 5.6998 5.9478 5.9576 6.0714 6.0933 7.0095 7.0579 8.5687 8.6077 9.1023 9.2193 9.3363 9.4529 10.3432 10.3564 11.0019 11.0367 k =-0.1883 0.2653 0.7562 ( 6440 PWs) bands (ev): -7.6799 -7.6795 -7.0361 -7.0246 -6.9781 -6.9699 -6.8109 -6.7987 -2.7921 -2.7903 0.7700 0.7992 1.0433 1.0630 1.5107 1.5310 1.7292 1.7824 2.3461 2.4875 2.5057 2.5639 2.7944 2.8315 2.8739 2.8840 2.9457 2.9607 3.0108 3.0285 3.0935 3.1209 4.1697 4.2062 4.2552 4.2722 4.2901 4.3042 4.3831 4.4161 4.4179 4.4507 4.4753 4.4845 4.5234 4.5533 4.7292 4.7810 4.8584 4.9409 4.9943 5.0130 5.2819 5.2967 5.5042 5.5680 5.6306 5.6715 5.9347 5.9440 6.0731 6.0972 7.0574 7.1055 8.5586 8.5974 9.0981 9.2551 9.2877 9.4459 10.3824 10.3954 10.9681 11.0032 k =-0.1972 0.2778 0.7408 ( 6434 PWs) bands (ev): -7.6848 -7.6844 -7.0425 -7.0310 -6.9842 -6.9766 -6.7956 -6.7831 -2.7853 -2.7832 0.7994 0.8274 1.0795 1.1031 1.5113 1.5339 1.7125 1.7676 2.3222 2.4686 2.4968 2.5682 2.7830 2.8258 2.8577 2.8657 2.9483 2.9639 3.0121 3.0285 3.0911 3.1185 4.1727 4.2140 4.2529 4.2714 4.2866 4.3042 4.3754 4.4146 4.4203 4.4493 4.4781 4.4887 4.5241 4.5578 4.7339 4.7796 4.8660 4.9552 4.9968 5.0148 5.2339 5.2499 5.4791 5.5396 5.6015 5.6425 5.9226 5.9335 6.0768 6.1026 7.1036 7.1517 8.5450 8.5836 9.0844 9.2322 9.2968 9.4473 10.4300 10.4427 10.9364 10.9713 k =-0.2061 0.2904 0.7254 ( 6427 PWs) bands (ev): -7.6896 -7.6892 -7.0485 -7.0371 -6.9898 -6.9828 -6.7809 -6.7681 -2.7787 -2.7764 0.8301 0.8566 1.1168 1.1448 1.5121 1.5374 1.6951 1.7523 2.2938 2.4293 2.5029 2.5729 2.7744 2.8188 2.8435 2.8473 2.9511 2.9678 3.0138 3.0290 3.0884 3.1159 4.1756 4.2210 4.2502 4.2708 4.2837 4.3043 4.3672 4.4127 4.4233 4.4477 4.4816 4.4941 4.5251 4.5632 4.7404 4.7792 4.8732 4.9675 5.0001 5.0210 5.1875 5.2054 5.4507 5.5074 5.5720 5.6128 5.9121 5.9258 6.0818 6.1087 7.1474 7.1957 8.5284 8.5667 9.0634 9.1836 9.3321 9.4559 10.4843 10.4964 10.9072 10.9419 k =-0.2150 0.3029 0.7100 ( 6425 PWs) bands (ev): -7.6943 -7.6939 -7.0542 -7.0428 -6.9951 -6.9887 -6.7668 -6.7538 -2.7725 -2.7699 0.8618 0.8864 1.1549 1.1878 1.5131 1.5413 1.6774 1.7370 2.2614 2.3880 2.5061 2.5757 2.7692 2.8064 2.8266 2.8384 2.9542 2.9722 3.0157 3.0299 3.0854 3.1130 4.1783 4.2263 4.2476 4.2703 4.2818 4.3047 4.3589 4.4106 4.4264 4.4458 4.4857 4.5010 4.5263 4.5696 4.7487 4.7799 4.8797 4.9754 5.0064 5.0301 5.1437 5.1650 5.4196 5.4723 5.5420 5.5829 5.9036 5.9200 6.0874 6.1152 7.1882 7.2368 8.5093 8.5472 9.0382 9.1369 9.3669 9.4700 10.5430 10.5545 10.8816 10.9157 k =-0.2239 0.3155 0.6946 ( 6427 PWs) bands (ev): -7.6989 -7.6985 -7.0594 -7.0481 -7.0000 -6.9942 -6.7535 -6.7403 -2.7666 -2.7638 0.8943 0.9168 1.1931 1.2316 1.5143 1.5456 1.6598 1.7220 2.2259 2.3446 2.5068 2.5757 2.7655 2.7918 2.8074 2.8383 2.9575 2.9769 3.0179 3.0310 3.0822 3.1099 4.1805 4.2289 4.2458 4.2694 4.2813 4.3058 4.3505 4.4084 4.4296 4.4438 4.4898 4.5091 4.5281 4.5771 4.7588 4.7821 4.8845 4.9775 5.0148 5.0404 5.1047 5.1312 5.3866 5.4355 5.5118 5.5528 5.8970 5.9160 6.0934 6.1218 7.2253 7.2744 8.4886 8.5257 9.0113 9.0935 9.4007 9.4875 10.6028 10.6137 10.8612 10.8945 k =-0.2328 0.3280 0.6792 ( 6425 PWs) bands (ev): -7.7033 -7.7028 -7.0643 -7.0530 -7.0045 -6.9992 -6.7410 -6.7277 -2.7612 -2.7581 0.9273 0.9472 1.2309 1.2755 1.5163 1.5502 1.6431 1.7079 2.1876 2.2991 2.5055 2.5730 2.7561 2.7834 2.7896 2.8417 2.9610 2.9817 3.0203 3.0324 3.0789 3.1067 4.1822 4.2280 4.2455 4.2680 4.2821 4.3077 4.3424 4.4060 4.4328 4.4418 4.4940 4.5177 4.5313 4.5858 4.7704 4.7858 4.8862 4.9734 5.0198 5.0477 5.0779 5.1076 5.3528 5.3979 5.4816 5.5226 5.8920 5.9131 6.0994 6.1281 7.2583 7.3079 8.4674 8.5032 8.9847 9.0540 9.4333 9.5072 10.6578 10.6686 10.8500 10.8822 k =-0.2417 0.3406 0.6638 ( 6429 PWs) bands (ev): -7.7073 -7.7068 -7.0686 -7.0575 -7.0085 -7.0038 -6.7296 -6.7161 -2.7562 -2.7529 0.9603 0.9774 1.2671 1.3180 1.5199 1.5551 1.6280 1.6952 2.1470 2.2517 2.5028 2.5684 2.7392 2.7680 2.7888 2.8469 2.9646 2.9865 3.0229 3.0340 3.0755 3.1033 4.1835 4.2247 4.2458 4.2667 4.2835 4.3108 4.3348 4.4036 4.4359 4.4399 4.4980 4.5243 4.5379 4.5957 4.7833 4.7913 4.8827 4.9607 5.0131 5.0477 5.0773 5.0969 5.3189 5.3604 5.4518 5.4926 5.8885 5.9111 6.1053 6.1341 7.2870 7.3370 8.4466 8.4805 8.9595 9.0188 9.4646 9.5278 10.6971 10.7096 10.8566 10.8868 k =-0.2506 0.3531 0.6485 ( 6425 PWs) bands (ev): -7.7110 -7.7105 -7.0726 -7.0614 -7.0121 -7.0080 -6.7193 -6.7056 -2.7517 -2.7482 0.9929 1.0071 1.3003 1.3568 1.5276 1.5600 1.6157 1.6843 2.1046 2.2025 2.4995 2.5627 2.7204 2.7499 2.7951 2.8529 2.9683 2.9910 3.0257 3.0360 3.0721 3.0998 4.1843 4.2203 4.2457 4.2658 4.2849 4.3148 4.3281 4.4010 4.4381 4.4389 4.5019 4.5278 4.5490 4.6069 4.7949 4.8005 4.8719 4.9387 5.0020 5.0523 5.0867 5.0977 5.2858 5.3241 5.4228 5.4629 5.8861 5.9098 6.1108 6.1397 7.3112 7.3616 8.4271 8.4585 8.9367 8.9879 9.4942 9.5485 10.7121 10.7272 10.8878 10.9151 k =-0.2595 0.3657 0.6331 ( 6425 PWs) bands (ev): -7.7143 -7.7137 -7.0760 -7.0649 -7.0152 -7.0116 -6.7102 -6.6964 -2.7478 -2.7441 1.0244 1.0356 1.3283 1.3883 1.5428 1.5646 1.6086 1.6756 2.0606 2.1517 2.4960 2.5569 2.7022 2.7326 2.8026 2.8590 2.9720 2.9950 3.0286 3.0383 3.0687 3.0962 4.1847 4.2155 4.2451 4.2654 4.2859 4.3176 4.3243 4.3983 4.4364 4.4416 4.5055 4.5300 4.5628 4.6192 4.8022 4.8149 4.8551 4.9114 4.9977 5.0608 5.0931 5.1069 5.2547 5.2901 5.3953 5.4339 5.8846 5.9089 6.1160 6.1447 7.3309 7.3816 8.4098 8.4381 8.9165 8.9613 9.5219 9.5684 10.7101 10.7264 10.9340 10.9596 k =-0.2684 0.3782 0.6177 ( 6425 PWs) bands (ev): -7.7171 -7.7166 -7.0789 -7.0679 -7.0178 -7.0148 -6.7024 -6.6885 -2.7444 -2.7406 1.0542 1.0626 1.3487 1.4092 1.5674 1.5689 1.6098 1.6698 2.0157 2.0997 2.4930 2.5513 2.6855 2.7167 2.8099 2.8649 2.9756 2.9984 3.0312 3.0411 3.0655 3.0926 4.1850 4.2106 4.2440 4.2656 4.2867 4.3144 4.3277 4.3955 4.4349 4.4440 4.5090 4.5316 4.5782 4.6325 4.8034 4.8304 4.8393 4.8841 4.9996 5.0704 5.0971 5.1180 5.2267 5.2599 5.3697 5.4059 5.8837 5.9082 6.1206 6.1490 7.3464 7.3973 8.3951 8.4198 8.8994 8.9390 9.5470 9.5869 10.7017 10.7176 10.9819 11.0075 k =-0.2773 0.3908 0.6023 ( 6422 PWs) bands (ev): -7.7195 -7.7189 -7.0814 -7.0703 -7.0200 -7.0174 -6.6959 -6.6819 -2.7416 -2.7376 1.0810 1.0877 1.3600 1.4198 1.5691 1.6026 1.6218 1.6683 1.9705 2.0468 2.4906 2.5463 2.6710 2.7027 2.8163 2.8701 2.9790 3.0011 3.0335 3.0444 3.0626 3.0891 4.1852 4.2059 4.2427 4.2660 4.2872 4.3103 4.3330 4.3927 4.4337 4.4460 4.5121 4.5327 4.5951 4.6466 4.7894 4.8315 4.8451 4.8645 5.0048 5.0780 5.0997 5.1275 5.2041 5.2348 5.3470 5.3794 5.8832 5.9077 6.1245 6.1527 7.3580 7.4091 8.3835 8.4041 8.8853 8.9209 9.5690 9.6032 10.6920 10.7069 11.0242 11.0506 k =-0.2862 0.4033 0.5869 ( 6422 PWs) bands (ev): -7.7213 -7.7208 -7.0833 -7.0722 -7.0216 -7.0195 -6.6908 -6.6767 -2.7394 -2.7353 1.1031 1.1104 1.3634 1.4232 1.5700 1.6260 1.6538 1.6753 1.9259 1.9935 2.4891 2.5421 2.6594 2.6909 2.8216 2.8743 2.9820 3.0031 3.0351 3.0481 3.0600 3.0856 4.1856 4.2017 4.2415 4.2665 4.2876 4.3068 4.3380 4.3900 4.4327 4.4477 4.5148 4.5334 4.6131 4.6612 4.7665 4.8166 4.8555 4.8663 5.0113 5.0806 5.0989 5.1359 5.1901 5.2151 5.3281 5.3554 5.8830 5.9073 6.1276 6.1555 7.3663 7.4175 8.3749 8.3913 8.8743 8.9069 9.5872 9.6165 10.6833 10.6969 11.0577 11.0851 k =-0.2952 0.4159 0.5715 ( 6419 PWs) bands (ev): -7.7227 -7.7221 -7.0846 -7.0736 -7.0228 -7.0210 -6.6871 -6.6730 -2.7378 -2.7337 1.1197 1.1290 1.3622 1.4226 1.5708 1.6346 1.6934 1.6999 1.8839 1.9410 2.4884 2.5387 2.6509 2.6819 2.8255 2.8774 2.9844 3.0044 3.0363 3.0516 3.0580 3.0825 4.1863 4.1981 4.2406 4.2669 4.2879 4.3043 4.3422 4.3876 4.4320 4.4489 4.5169 4.5337 4.6317 4.6754 4.7427 4.7968 4.8655 4.8758 5.0182 5.0778 5.0927 5.1461 5.1844 5.2008 5.3143 5.3352 5.8829 5.9070 6.1299 6.1576 7.3718 7.4230 8.3695 8.3817 8.8665 8.8969 9.6009 9.6265 10.6765 10.6889 11.0813 11.1094 k =-0.3041 0.4284 0.5561 ( 6421 PWs) bands (ev): -7.7235 -7.7229 -7.0855 -7.0745 -7.0235 -7.0219 -6.6849 -6.6707 -2.7368 -2.7327 1.1301 1.1415 1.3596 1.4210 1.5714 1.6372 1.7226 1.7385 1.8507 1.8920 2.4881 2.5366 2.6457 2.6761 2.8278 2.8793 2.9860 3.0052 3.0370 3.0543 3.0567 3.0802 4.1871 4.1954 4.2400 4.2672 4.2881 4.3028 4.3451 4.3859 4.4315 4.4496 4.5183 4.5338 4.6488 4.6873 4.7218 4.7809 4.8746 4.8815 5.0251 5.0694 5.0879 5.1579 5.1799 5.1927 5.3065 5.3207 5.8829 5.9068 6.1313 6.1589 7.3749 7.4261 8.3667 8.3754 8.8618 8.8909 9.6095 9.6326 10.6723 10.6839 11.0951 11.1237 k =-0.3130 0.4410 0.5407 ( 6428 PWs) bands (ev): -7.7238 -7.7232 -7.0858 -7.0748 -7.0237 -7.0222 -6.6841 -6.6699 -2.7365 -2.7324 1.1337 1.1458 1.3585 1.4203 1.5716 1.6377 1.7415 1.7533 1.8434 1.8614 2.4881 2.5358 2.6440 2.6741 2.8286 2.8799 2.9866 3.0054 3.0372 3.0555 3.0561 3.0793 4.1876 4.1943 4.2398 4.2673 4.2881 4.3023 4.3461 4.3853 4.4314 4.4498 4.5188 4.5338 4.6574 4.6925 4.7116 4.7744 4.8795 4.8821 5.0290 5.0636 5.0867 5.1680 5.1719 5.1910 5.3044 5.3151 5.8829 5.9068 6.1318 6.1593 7.3759 7.4271 8.3660 8.3731 8.8602 8.8889 9.6124 9.6347 10.6708 10.6821 11.0996 11.1283 k =-0.3130 0.4410 0.5407 ( 6428 PWs) bands (ev): -7.7238 -7.7232 -7.0858 -7.0748 -7.0237 -7.0222 -6.6841 -6.6699 -2.7365 -2.7324 1.1337 1.1458 1.3585 1.4203 1.5716 1.6377 1.7415 1.7533 1.8434 1.8614 2.4881 2.5358 2.6440 2.6741 2.8286 2.8799 2.9866 3.0054 3.0372 3.0555 3.0561 3.0793 4.1876 4.1943 4.2398 4.2673 4.2881 4.3023 4.3461 4.3853 4.4314 4.4498 4.5188 4.5338 4.6574 4.6925 4.7116 4.7744 4.8795 4.8821 5.0290 5.0636 5.0867 5.1680 5.1719 5.1910 5.3044 5.3151 5.8829 5.9068 6.1318 6.1593 7.3759 7.4271 8.3660 8.3731 8.8602 8.8889 9.6124 9.6347 10.6708 10.6821 11.0996 11.1283 k =-0.3040 0.4284 0.5253 ( 6426 PWs) bands (ev): -7.7243 -7.7238 -7.0713 -7.0593 -7.0367 -7.0344 -6.6838 -6.6693 -2.7351 -2.7310 1.1110 1.1171 1.3488 1.4068 1.5851 1.6630 1.7531 1.7596 1.8318 1.8512 2.4773 2.5161 2.6179 2.6506 2.8345 2.8877 2.9868 3.0086 3.0315 3.0543 3.0554 3.0753 4.1971 4.1987 4.2497 4.2667 4.2855 4.3063 4.3507 4.3892 4.4361 4.4546 4.5116 4.5355 4.6576 4.6898 4.7056 4.7800 4.8667 4.8675 5.0220 5.0394 5.0779 5.1729 5.1818 5.2090 5.3288 5.3384 5.8942 5.9193 6.1326 6.1579 7.3787 7.4285 8.3858 8.3959 8.8818 8.9013 9.6904 9.7087 10.6966 10.7075 11.1586 11.1812 k =-0.2951 0.4158 0.5098 ( 6416 PWs) bands (ev): -7.7273 -7.7268 -7.0586 -7.0470 -7.0436 -7.0413 -6.6835 -6.6687 -2.7351 -2.7311 1.0900 1.0901 1.3388 1.3923 1.5967 1.6821 1.7569 1.7836 1.8266 1.8409 2.4653 2.4950 2.5920 2.6272 2.8401 2.8953 2.9873 3.0116 3.0264 3.0529 3.0548 3.0717 4.2004 4.2042 4.2589 4.2668 4.2826 4.3110 4.3561 4.3928 4.4407 4.4586 4.5030 4.5384 4.6596 4.6886 4.6993 4.7851 4.8537 4.8545 5.0093 5.0144 5.0714 5.1784 5.1999 5.2311 5.3570 5.3657 5.9012 5.9274 6.1294 6.1525 7.3824 7.4301 8.4061 8.4191 8.8994 8.9097 9.7569 9.7713 10.7187 10.7291 11.2288 11.2462 k =-0.2861 0.4032 0.4944 ( 6424 PWs) bands (ev): -7.7327 -7.7322 -7.0561 -7.0539 -7.0354 -7.0274 -6.6832 -6.6682 -2.7365 -2.7327 1.0650 1.0707 1.3287 1.3775 1.6061 1.6941 1.7571 1.8107 1.8325 1.8358 2.4526 2.4730 2.5666 2.6040 2.8451 2.9020 2.9880 3.0140 3.0227 3.0510 3.0539 3.0689 4.2005 4.2089 4.2654 4.2685 4.2796 4.3158 4.3616 4.3960 4.4441 4.4615 4.4935 4.5421 4.6605 4.6911 4.6928 4.7889 4.8422 4.8433 4.9900 4.9913 5.0706 5.1845 5.2223 5.2558 5.3887 5.3965 5.9038 5.9309 6.1225 6.1430 7.3871 7.4322 8.4268 8.4427 8.9137 8.9152 9.8101 9.8208 10.7366 10.7463 11.3093 11.3225 k =-0.2772 0.3906 0.4789 ( 6428 PWs) bands (ev): -7.7406 -7.7402 -7.0583 -7.0577 -7.0210 -7.0112 -6.6829 -6.6678 -2.7393 -2.7356 1.0418 1.0533 1.3186 1.3632 1.6135 1.7021 1.7486 1.8152 1.8511 1.8611 2.4397 2.4507 2.5420 2.5815 2.8493 2.9076 2.9881 3.0153 3.0209 3.0489 3.0520 3.0681 4.1996 4.2118 4.2676 4.2732 4.2770 4.3206 4.3672 4.3992 4.4460 4.4628 4.4841 4.5464 4.6585 4.6860 4.6984 4.7893 4.8335 4.8353 4.9671 4.9706 5.0745 5.1912 5.2468 5.2821 5.4235 5.4307 5.9017 5.9292 6.1122 6.1299 7.3932 7.4351 8.4478 8.4666 8.9190 8.9257 9.8484 9.8556 10.7496 10.7587 11.3984 11.4083 k =-0.2683 0.3780 0.4635 ( 6432 PWs) bands (ev): -7.7511 -7.7508 -7.0585 -7.0583 -7.0053 -6.9948 -6.6827 -6.6674 -2.7435 -2.7401 1.0207 1.0377 1.3086 1.3497 1.6191 1.7088 1.7353 1.8056 1.8873 1.8959 2.4269 2.4286 2.5186 2.5596 2.8528 2.9118 2.9869 3.0153 3.0217 3.0463 3.0486 3.0698 4.1978 4.2127 4.2691 4.2751 4.2776 4.3255 4.3724 4.4026 4.4464 4.4618 4.4761 4.5504 4.6547 4.6789 4.7082 4.7847 4.8257 4.8350 4.9461 4.9493 5.0819 5.1986 5.2721 5.3092 5.4611 5.4680 5.8947 5.9224 6.0989 6.1135 7.4008 7.4389 8.4691 8.4906 8.9219 8.9363 9.8706 9.8746 10.7572 10.7657 11.4940 11.5015 k =-0.2593 0.3654 0.4480 ( 6432 PWs) bands (ev): -7.7639 -7.7637 -7.0560 -7.0556 -6.9892 -6.9784 -6.6825 -6.6672 -2.7492 -2.7459 1.0017 1.0242 1.2991 1.3371 1.6226 1.7119 1.7236 1.7958 1.9267 1.9353 2.4070 2.4145 2.4967 2.5388 2.8556 2.9146 2.9843 3.0139 3.0249 3.0434 3.0440 3.0733 4.1951 4.2118 4.2708 4.2742 4.2810 4.3302 4.3767 4.4063 4.4455 4.4574 4.4716 4.5536 4.6501 4.6713 4.7174 4.7766 4.8201 4.8393 4.9277 4.9286 5.0925 5.2069 5.2974 5.3362 5.5013 5.5079 5.8831 5.9103 6.0835 6.0947 7.4098 7.4439 8.4903 8.5147 8.9250 8.9465 9.8763 9.8774 10.7591 10.7669 11.5937 11.5991 k =-0.2504 0.3528 0.4326 ( 6428 PWs) bands (ev): -7.7790 -7.7788 -7.0506 -7.0500 -6.9729 -6.9619 -6.6824 -6.6670 -2.7562 -2.7532 0.9849 1.0127 1.2899 1.3258 1.6238 1.6984 1.7285 1.7871 1.9680 1.9771 2.3861 2.4026 2.4768 2.5193 2.8578 2.9162 2.9807 3.0113 3.0292 3.0386 3.0409 3.0779 4.1915 4.2089 4.2726 4.2745 4.2836 4.3347 4.3797 4.4107 4.4436 4.4512 4.4699 4.5555 4.6456 4.6631 4.7240 4.7675 4.8164 4.8446 4.9097 4.9131 5.1063 5.2165 5.3214 5.3621 5.5438 5.5504 5.8670 5.8930 6.0670 6.0746 7.4202 7.4500 8.5114 8.5387 8.9290 8.9568 9.8639 9.8655 10.7549 10.7619 11.6942 11.6978 k =-0.2414 0.3402 0.4171 ( 6428 PWs) bands (ev): -7.7960 -7.7958 -7.0426 -7.0418 -6.9566 -6.9454 -6.6823 -6.6669 -2.7645 -2.7617 0.9703 1.0032 1.2813 1.3157 1.6220 1.6802 1.7384 1.7802 2.0106 2.0204 2.3662 2.3911 2.4595 2.5014 2.8596 2.9169 2.9767 3.0077 3.0311 3.0329 3.0412 3.0829 4.1869 4.2044 4.2746 4.2759 4.2856 4.3390 4.3808 4.4156 4.4411 4.4453 4.4694 4.5559 4.6415 4.6545 4.7270 4.7587 4.8128 4.8472 4.8945 4.9035 5.1236 5.2278 5.3430 5.3856 5.5884 5.5951 5.8469 5.8709 6.0507 6.0545 7.4317 7.4569 8.5323 8.5626 8.9342 8.9679 9.8348 9.8393 10.7444 10.7506 11.7909 11.7928 k =-0.2325 0.3276 0.4017 ( 6424 PWs) bands (ev): -7.8145 -7.8144 -7.0321 -7.0312 -6.9403 -6.9290 -6.6822 -6.6669 -2.7740 -2.7715 0.9579 0.9960 1.2734 1.3071 1.6171 1.6611 1.7498 1.7753 2.0539 2.0644 2.3475 2.3799 2.4456 2.4855 2.8611 2.9170 2.9725 3.0033 3.0269 3.0282 3.0461 3.0879 4.1813 4.1986 4.2766 4.2782 4.2872 4.3428 4.3799 4.4213 4.4382 4.4407 4.4699 4.5547 4.6380 4.6455 4.7269 4.7507 4.8069 4.8431 4.8859 4.9000 5.1444 5.2411 5.3607 5.4050 5.6344 5.6418 5.8235 5.8445 6.0362 6.0364 7.4437 7.4644 8.5528 8.5864 8.9410 8.9801 9.7914 9.7991 10.7276 10.7328 11.7733 11.8189 k =-0.2235 0.3150 0.3862 ( 6429 PWs) bands (ev): -7.8344 -7.8343 -7.0196 -7.0186 -6.9240 -6.9127 -6.6822 -6.6670 -2.7847 -2.7824 0.9479 0.9908 1.2662 1.2999 1.6089 1.6415 1.7620 1.7724 2.0975 2.1084 2.3300 2.3689 2.4355 2.4720 2.8623 2.9166 2.9684 2.9979 3.0209 3.0234 3.0523 3.0927 4.1746 4.1918 4.2783 4.2811 4.2884 4.3460 4.3773 4.4275 4.4352 4.4367 4.4716 4.5519 4.6355 4.6361 4.7247 4.7436 4.7978 4.8317 4.8839 4.9014 5.1688 5.2570 5.3731 5.4187 5.6809 5.6902 5.7983 5.8144 6.0223 6.0255 7.4558 7.4719 8.5727 8.6099 8.9494 8.9935 9.7351 9.7468 10.7048 10.7087 11.7000 11.7434 k =-0.2146 0.3024 0.3708 ( 6433 PWs) bands (ev): -7.8553 -7.8552 -7.0052 -7.0042 -6.9079 -6.8965 -6.6822 -6.6672 -2.7964 -2.7944 0.9402 0.9878 1.2599 1.2943 1.5978 1.6216 1.7710 1.7746 2.1409 2.1520 2.3139 2.3580 2.4297 2.4614 2.8633 2.9159 2.9644 2.9917 3.0151 3.0179 3.0584 3.0970 4.1671 4.1844 4.2799 4.2844 4.2893 4.3488 4.3738 4.4303 4.4329 4.4362 4.4745 4.5478 4.6267 4.6340 4.7214 4.7372 4.7863 4.8172 4.8843 4.9055 5.1965 5.2756 5.3786 5.4248 5.7209 5.7399 5.7785 5.7814 6.0147 6.0203 7.4671 7.4788 8.5920 8.6333 8.9591 9.0082 9.6677 9.6848 10.6760 10.6783 11.6201 11.6596 k =-0.2057 0.2898 0.3553 ( 6425 PWs) bands (ev): -7.8769 -7.8768 -6.9894 -6.9884 -6.8919 -6.8806 -6.6822 -6.6675 -2.8090 -2.8072 0.9348 0.9870 1.2546 1.2902 1.5843 1.6017 1.7702 1.7869 2.1835 2.1941 2.2996 2.3475 2.4286 2.4544 2.8642 2.9150 2.9606 2.9846 3.0095 3.0118 3.0641 3.1008 4.1589 4.1768 4.2810 4.2880 4.2898 4.3509 4.3701 4.4275 4.4290 4.4435 4.4783 4.5425 4.6174 4.6336 4.7175 4.7313 4.7735 4.8023 4.8846 4.9100 5.2271 5.2972 5.3761 5.4220 5.7200 5.7458 5.7915 5.7989 6.0153 6.0223 7.4770 7.4845 8.6105 8.6566 8.9696 9.0238 9.5914 9.6156 10.6416 10.6419 11.5359 11.5714 k =-0.1967 0.2772 0.3399 ( 6435 PWs) bands (ev): -7.8989 -7.8988 -6.9724 -6.9714 -6.8762 -6.8650 -6.6822 -6.6678 -2.8224 -2.8209 0.9317 0.9883 1.2502 1.2876 1.5692 1.5818 1.7695 1.7985 2.2243 2.2316 2.2893 2.3378 2.4324 2.4517 2.8650 2.9140 2.9571 2.9766 3.0042 3.0052 3.0692 3.1040 4.1499 4.1690 4.2817 4.2899 4.2915 4.3522 4.3666 4.4242 4.4249 4.4516 4.4826 4.5361 4.6082 4.6342 4.7136 4.7253 4.7605 4.7881 4.8841 4.9134 5.2599 5.3213 5.3653 5.4102 5.6915 5.7091 5.8435 5.8465 6.0252 6.0324 7.4847 7.4881 8.6278 8.6799 8.9801 9.0401 9.5082 9.5423 10.5996 10.6017 11.4495 11.4811 k =-0.1878 0.2646 0.3244 ( 6435 PWs) bands (ev): -7.9211 -7.9211 -6.9545 -6.9534 -6.8607 -6.8497 -6.6823 -6.6682 -2.8365 -2.8353 0.9308 0.9917 1.2469 1.2866 1.5532 1.5624 1.7680 1.8090 2.2509 2.2614 2.2955 2.3300 2.4414 2.4542 2.8658 2.9130 2.9538 2.9679 2.9984 2.9994 3.0736 3.1066 4.1405 4.1614 4.2820 4.2893 4.2950 4.3527 4.3637 4.4207 4.4212 4.4598 4.4869 4.5291 4.5991 4.6357 4.7098 4.7189 4.7480 4.7756 4.8828 4.9150 5.2932 5.3452 5.3480 5.3927 5.6586 5.6716 5.8965 5.8986 6.0443 6.0508 7.4890 7.4892 8.6434 8.7032 8.9892 9.0560 9.4206 9.4682 10.5516 10.5567 11.3634 11.3911 k =-0.1788 0.2520 0.3090 ( 6441 PWs) bands (ev): -7.9433 -7.9433 -6.9359 -6.9348 -6.8456 -6.8348 -6.6824 -6.6687 -2.8512 -2.8502 0.9321 0.9970 1.2447 1.2871 1.5367 1.5435 1.7656 1.8178 2.2453 2.2882 2.3233 2.3298 2.4560 2.4632 2.8666 2.9121 2.9507 2.9587 2.9915 2.9949 3.0773 3.1086 4.1308 4.1541 4.2818 4.2880 4.2982 4.3522 4.3617 4.4166 4.4186 4.4680 4.4908 4.5217 4.5900 4.6374 4.7062 4.7112 4.7367 4.7653 4.8808 4.9146 5.3080 5.3438 5.3461 5.3935 5.6246 5.6340 5.9500 5.9521 6.0717 6.0769 7.4863 7.4898 8.6564 8.7267 8.9952 9.0694 9.3322 9.3975 10.4980 10.5063 11.2799 11.3038 k =-0.1699 0.2394 0.2935 ( 6417 PWs) bands (ev): -7.9653 -7.9652 -6.9169 -6.9158 -6.8308 -6.8204 -6.6825 -6.6693 -2.8663 -2.8655 0.9355 1.0041 1.2435 1.2890 1.5203 1.5255 1.7619 1.8249 2.2332 2.2928 2.3477 2.3528 2.4765 2.4796 2.8675 2.9113 2.9478 2.9494 2.9849 2.9909 3.0802 3.1101 4.1210 4.1472 4.2813 4.2859 4.3011 4.3506 4.3606 4.4131 4.4166 4.4756 4.4940 4.5143 4.5809 4.6385 4.7019 4.7029 4.7279 4.7578 4.8785 4.9122 5.2818 5.3158 5.3761 5.4220 5.5908 5.5975 6.0040 6.0062 6.1060 6.1097 7.4795 7.4858 8.6651 8.7502 8.9953 9.0737 9.2507 9.3356 10.4389 10.4506 11.2011 11.2214 k =-0.1610 0.2268 0.2781 ( 6419 PWs) bands (ev): -7.9869 -7.9868 -6.8976 -6.8966 -6.8165 -6.8064 -6.6827 -6.6699 -2.8816 -2.8810 0.9410 1.0129 1.2435 1.2923 1.5046 1.5087 1.7570 1.8300 2.2193 2.2857 2.3724 2.3782 2.5027 2.5033 2.8684 2.9107 2.9401 2.9451 2.9786 2.9871 3.0825 3.1110 4.1112 4.1408 4.2801 4.2831 4.3033 4.3478 4.3601 4.4101 4.4152 4.4823 4.4964 4.5070 4.5719 4.6378 4.6911 4.6999 4.7225 4.7529 4.8761 4.9082 5.2469 5.2775 5.4123 5.4559 5.5585 5.5640 6.0580 6.0604 6.1458 6.1479 7.4680 7.4766 8.6664 8.7734 8.9877 9.0493 9.1974 9.2885 10.3744 10.3895 11.1289 11.1460 k =-0.1520 0.2142 0.2626 ( 6419 PWs) bands (ev): -8.0079 -8.0079 -6.8783 -6.8773 -6.8026 -6.7929 -6.6828 -6.6705 -2.8971 -2.8967 0.9482 1.0230 1.2445 1.2967 1.4899 1.4933 1.7511 1.8334 2.2042 2.2753 2.3951 2.3991 2.5330 2.5337 2.8694 2.9101 2.9316 2.9425 2.9733 2.9836 3.0841 3.1115 4.1015 4.1350 4.2776 4.2809 4.3047 4.3439 4.3602 4.4080 4.4147 4.4875 4.4978 4.5003 4.5632 4.6340 4.6793 4.6973 4.7217 4.7501 4.8740 4.9026 5.2091 5.2360 5.4417 5.4854 5.5343 5.5401 6.1119 6.1144 6.1898 6.1904 7.4514 7.4618 8.6559 8.7946 8.9739 8.9846 9.1860 9.2596 10.3048 10.3230 11.0648 11.0793 k =-0.1431 0.2016 0.2472 ( 6423 PWs) bands (ev): -8.0283 -8.0283 -6.8591 -6.8582 -6.7893 -6.7800 -6.6829 -6.6712 -2.9126 -2.9124 0.9571 1.0343 1.2466 1.3020 1.4768 1.4797 1.7444 1.8353 2.1879 2.2630 2.4146 2.4165 2.5664 2.5676 2.8706 2.9097 2.9241 2.9402 2.9692 2.9805 3.0852 3.1117 4.0922 4.1299 4.2732 4.2795 4.3048 4.3394 4.3606 4.4068 4.4148 4.4900 4.4946 4.4982 4.5548 4.6272 4.6672 4.6951 4.7254 4.7490 4.8722 4.8959 5.1704 5.1931 5.4454 5.4785 5.5447 5.5499 6.1653 6.1678 6.2362 6.2371 7.4296 7.4412 8.6291 8.8049 8.9115 8.9608 9.1944 9.2471 10.2307 10.2515 11.0096 11.0221 k =-0.1341 0.1890 0.2317 ( 6419 PWs) bands (ev): -8.0479 -8.0479 -6.8403 -6.8394 -6.7764 -6.7677 -6.6830 -6.6719 -2.9280 -2.9279 0.9674 1.0462 1.2497 1.3080 1.4657 1.4684 1.7374 1.8359 2.1703 2.2490 2.4306 2.4308 2.6017 2.6031 2.8720 2.9093 2.9182 2.9385 2.9665 2.9778 3.0859 3.1115 4.0833 4.1255 4.2679 4.2784 4.3028 4.3351 4.3611 4.4066 4.4157 4.4867 4.4932 4.4977 4.5471 4.6180 4.6553 4.6932 4.7329 4.7493 4.8710 4.8882 5.1321 5.1504 5.4233 5.4508 5.5777 5.5894 6.2180 6.2204 6.2843 6.2865 7.4025 7.4147 8.5847 8.7649 8.8837 8.9550 9.2084 9.2458 10.1531 10.1759 10.9636 10.9751 k =-0.1252 0.1764 0.2163 ( 6415 PWs) bands (ev): -8.0666 -8.0666 -6.8219 -6.8212 -6.7642 -6.7560 -6.6831 -6.6727 -2.9431 -2.9431 0.9789 1.0583 1.2540 1.3142 1.4573 1.4597 1.7304 1.8355 2.1511 2.2332 2.4414 2.4435 2.6375 2.6390 2.8740 2.9087 2.9143 2.9379 2.9655 2.9756 3.0862 3.1113 4.0751 4.1218 4.2621 4.2775 4.2979 4.3321 4.3618 4.4074 4.4170 4.4811 4.4922 4.4962 4.5397 4.6074 4.6441 4.6915 4.7429 4.7506 4.8704 4.8797 5.0954 5.1088 5.3935 5.4211 5.6210 5.6338 6.2698 6.2720 6.3340 6.3373 7.3704 7.3827 8.5261 8.6823 8.8982 8.9580 9.2235 9.2509 10.0733 10.0973 10.9267 10.9379 k =-0.1162 0.1638 0.2008 ( 6407 PWs) bands (ev): -8.0844 -8.0844 -6.8042 -6.8035 -6.7526 -6.7450 -6.6831 -6.6734 -2.9579 -2.9577 0.9911 1.0700 1.2592 1.3202 1.4521 1.4543 1.7238 1.8346 2.1305 2.2154 2.4484 2.4524 2.6727 2.6742 2.8768 2.9078 2.9125 2.9386 2.9663 2.9739 3.0865 3.1110 4.0678 4.1190 4.2560 4.2768 4.2900 4.3305 4.3624 4.4090 4.4186 4.4752 4.4903 4.4937 4.5320 4.5963 4.6342 4.6900 4.7529 4.7546 4.8699 4.8705 5.0613 5.0696 5.3623 5.3918 5.6684 5.6806 6.3202 6.3222 6.3846 6.3887 7.3335 7.3455 8.4589 8.5928 8.9210 8.9678 9.2381 9.2592 9.9926 10.0171 10.8984 10.9099 k =-0.1073 0.1512 0.1854 ( 6405 PWs) bands (ev): -8.1011 -8.1011 -6.7872 -6.7867 -6.7416 -6.7347 -6.6831 -6.6742 -2.9721 -2.9719 1.0037 1.0807 1.2655 1.3258 1.4505 1.4525 1.7181 1.8333 2.1082 2.1954 2.4510 2.4574 2.7067 2.7081 2.8809 2.9068 2.9129 2.9402 2.9695 2.9731 3.0868 3.1107 4.0613 4.1170 4.2497 4.2764 4.2798 4.3301 4.3630 4.4112 4.4202 4.4692 4.4883 4.4905 4.5232 4.5852 4.6255 4.6884 4.7560 4.7673 4.8602 4.8697 5.0307 5.0337 5.3316 5.3632 5.7179 5.7292 6.3690 6.3708 6.4353 6.4398 7.2923 7.3036 8.3876 8.5039 8.9453 8.9816 9.2516 9.2687 9.9123 9.9369 10.8781 10.8903 k =-0.0984 0.1386 0.1699 ( 6417 PWs) bands (ev): -8.1167 -8.1167 -6.7712 -6.7708 -6.7313 -6.7252 -6.6830 -6.6749 -2.9857 -2.9854 1.0163 1.0898 1.2728 1.3306 1.4530 1.4548 1.7136 1.8319 2.0844 2.1732 2.4492 2.4582 2.7386 2.7399 2.8861 2.9059 2.9152 2.9422 2.9733 2.9754 3.0872 3.1106 4.0559 4.1157 4.2433 4.2679 4.2763 4.3303 4.3637 4.4140 4.4216 4.4631 4.4861 4.4870 4.5129 4.5746 4.6180 4.6866 4.7600 4.7803 4.8488 4.8686 5.0023 5.0047 5.3017 5.3353 5.7691 5.7794 6.4157 6.4175 6.4856 6.4902 7.2474 7.2577 8.3157 8.4178 8.9692 8.9973 9.2636 9.2782 9.8338 9.8579 10.8649 10.8781 k =-0.0894 0.1260 0.1545 ( 6407 PWs) bands (ev): -8.1311 -8.1311 -6.7563 -6.7560 -6.7216 -6.7164 -6.6828 -6.6756 -2.9985 -2.9982 1.0285 1.0970 1.2808 1.3347 1.4594 1.4616 1.7106 1.8304 2.0591 2.1487 2.4431 2.4551 2.7678 2.7694 2.8922 2.9053 2.9193 2.9439 2.9753 2.9842 3.0881 3.1108 4.0517 4.1151 4.2370 4.2552 4.2767 4.3309 4.3644 4.4173 4.4222 4.4578 4.4814 4.4862 4.5017 4.5645 4.6113 4.6844 4.7648 4.7931 4.8363 4.8659 4.9763 4.9842 5.2731 5.3084 5.8215 5.8308 6.4601 6.4620 6.5347 6.5390 7.1994 7.2085 8.2454 8.3357 8.9918 9.0132 9.2740 9.2872 9.7581 9.7816 10.8581 10.8723 k =-0.0805 0.1134 0.1390 ( 6423 PWs) bands (ev): -8.1443 -8.1443 -6.7426 -6.7424 -6.7126 -6.7083 -6.6825 -6.6763 -3.0105 -3.0101 1.0399 1.1020 1.2893 1.3383 1.4695 1.4731 1.7095 1.8287 2.0326 2.1222 2.4335 2.4483 2.7935 2.7958 2.8986 2.9051 2.9246 2.9452 2.9795 2.9953 3.0896 3.1114 4.0489 4.1150 4.2308 4.2421 4.2775 4.3316 4.3652 4.4207 4.4211 4.4538 4.4760 4.4837 4.4923 4.5551 4.6048 4.6812 4.7702 4.8041 4.8241 4.8608 4.9562 4.9700 5.2460 5.2823 5.8748 5.8832 6.5015 6.5036 6.5821 6.5858 7.1492 7.1568 8.1783 8.2584 9.0124 9.0283 9.2828 9.2954 9.6865 9.7090 10.8567 10.8719 k =-0.0715 0.1008 0.1236 ( 6427 PWs) bands (ev): -8.1562 -8.1562 -6.7304 -6.7301 -6.7043 -6.7011 -6.6820 -6.6769 -3.0214 -3.0211 1.0501 1.1050 1.2979 1.3418 1.4829 1.4892 1.7104 1.8265 2.0052 2.0936 2.4211 2.4385 2.8151 2.8188 2.9049 2.9058 2.9300 2.9461 2.9868 3.0077 3.0920 3.1126 4.0474 4.1153 4.2247 4.2291 4.2790 4.3326 4.3660 4.4177 4.4243 4.4518 4.4704 4.4740 4.4913 4.5465 4.5983 4.6765 4.7763 4.8039 4.8220 4.8533 4.9421 4.9619 5.2205 5.2572 5.9286 5.9362 6.5398 6.5420 6.6270 6.6300 7.0974 7.1036 8.1158 8.1866 9.0305 9.0420 9.2901 9.3027 9.6199 9.6412 10.8599 10.8757 k =-0.0626 0.0882 0.1081 ( 6429 PWs) bands (ev): -8.1668 -8.1668 -6.7197 -6.7193 -6.6967 -6.6946 -6.6813 -6.6773 -3.0313 -3.0309 1.0590 1.1062 1.3063 1.3450 1.4992 1.5095 1.7133 1.8233 1.9777 2.0634 2.4070 2.4264 2.8325 2.8381 2.9072 2.9114 2.9346 2.9467 2.9969 3.0202 3.0955 3.1143 4.0475 4.1156 4.2168 4.2189 4.2812 4.3338 4.3667 4.4117 4.4280 4.4512 4.4634 4.4649 4.4936 4.5387 4.5916 4.6698 4.7828 4.7931 4.8302 4.8442 4.9335 4.9588 5.1970 5.2333 5.9825 5.9894 6.5741 6.5765 6.6688 6.6710 7.0452 7.0500 8.0588 8.1208 9.0459 9.0536 9.2963 9.3091 9.5589 9.5790 10.8667 10.8827 k =-0.0537 0.0756 0.0927 ( 6441 PWs) bands (ev): -8.1761 -8.1761 -6.7107 -6.7103 -6.6898 -6.6888 -6.6802 -6.6776 -3.0400 -3.0397 1.0665 1.1060 1.3143 1.3480 1.5183 1.5336 1.7180 1.8181 1.9510 2.0320 2.3925 2.4129 2.8459 2.8532 2.9098 2.9173 2.9383 2.9471 3.0089 3.0316 3.1002 3.1166 4.0491 4.1155 4.2056 4.2133 4.2843 4.3352 4.3671 4.4031 4.4314 4.4494 4.4568 4.4598 4.4971 4.5318 4.5849 4.6605 4.7836 4.7895 4.8348 4.8377 4.9298 4.9587 5.1757 5.2106 6.0359 6.0421 6.6040 6.6063 6.7068 6.7082 6.9937 6.9971 8.0082 8.0617 9.0583 9.0631 9.3016 9.3147 9.5045 9.5234 10.8762 10.8918 k =-0.0447 0.0630 0.0772 ( 6461 PWs) bands (ev): -8.1839 -8.1839 -6.7035 -6.7033 -6.6839 -6.6837 -6.6785 -6.6776 -3.0475 -3.0472 1.0728 1.1047 1.3217 1.3504 1.5400 1.5605 1.7238 1.8095 1.9268 2.0000 2.3785 2.3987 2.8559 2.8640 2.9139 2.9225 2.9416 2.9475 3.0211 3.0411 3.1062 3.1196 4.0522 4.1144 4.1962 4.2079 4.2883 4.3368 4.3671 4.3924 4.4341 4.4440 4.4559 4.4565 4.5013 4.5257 4.5785 4.6489 4.7771 4.7954 4.8265 4.8429 4.9302 4.9603 5.1569 5.1894 6.0878 6.0934 6.6286 6.6308 6.7404 6.7410 6.9445 6.9468 7.9647 8.0097 9.0679 9.0704 9.3061 9.3197 9.4570 9.4749 10.8871 10.9017 k =-0.0358 0.0504 0.0618 ( 6469 PWs) bands (ev): -8.1904 -8.1904 -6.6983 -6.6980 -6.6802 -6.6789 -6.6770 -6.6761 -3.0537 -3.0535 1.0779 1.1028 1.3284 1.3520 1.5640 1.5892 1.7298 1.7961 1.9068 1.9684 2.3662 2.3848 2.8632 2.8708 2.9189 2.9264 2.9446 2.9479 3.0323 3.0482 3.1130 3.1230 4.0566 4.1118 4.1893 4.2028 4.2934 4.3385 4.3667 4.3809 4.4354 4.4392 4.4540 4.4578 4.5056 4.5205 4.5733 4.6357 4.7738 4.7988 4.8216 4.8456 4.9337 4.9623 5.1414 5.1702 6.1370 6.1418 6.6469 6.6488 6.7687 6.7689 6.9000 6.9013 7.9290 7.9654 9.0749 9.0758 9.3101 9.3242 9.4171 9.4341 10.8986 10.9115 k =-0.0268 0.0378 0.0463 ( 6473 PWs) bands (ev): -8.1955 -8.1955 -6.6950 -6.6943 -6.6778 -6.6772 -6.6737 -6.6730 -3.0586 -3.0584 1.0822 1.1004 1.3345 1.3526 1.5900 1.6182 1.7345 1.7772 1.8925 1.9387 2.3564 2.3720 2.8684 2.8747 2.9238 2.9291 2.9473 2.9485 3.0415 3.0530 3.1197 3.1265 4.0624 4.1072 4.1852 4.1981 4.2996 4.3397 4.3655 4.3698 4.4351 4.4359 4.4546 4.4593 4.5092 4.5165 4.5704 4.6217 4.7732 4.7972 4.8225 4.8461 4.9393 4.9636 5.1296 5.1532 6.1815 6.1854 6.6578 6.6592 6.7913 6.7914 6.8631 6.8636 7.9016 7.9293 9.0796 9.0796 9.3138 9.3282 9.3850 9.4013 10.9094 10.9198 k =-0.0179 0.0252 0.0309 ( 6457 PWs) bands (ev): -8.1991 -8.1991 -6.6929 -6.6922 -6.6764 -6.6762 -6.6706 -6.6703 -3.0621 -3.0620 1.0858 1.0977 1.3398 1.3521 1.6169 1.6451 1.7360 1.7550 1.8836 1.9130 2.3499 2.3612 2.8722 2.8765 2.9277 2.9308 2.9494 2.9495 3.0485 3.0558 3.1254 3.1295 4.0693 4.1009 4.1838 4.1938 4.3069 4.3386 4.3615 4.3638 4.4337 4.4340 4.4566 4.4604 4.5114 4.5138 4.5710 4.6079 4.7748 4.7924 4.8272 4.8447 4.9458 4.9636 5.1221 5.1391 6.2183 6.2212 6.6611 6.6619 6.8073 6.8077 6.8367 6.8370 7.8831 7.9017 9.0822 9.0825 9.3174 9.3319 9.3611 9.3766 10.9186 10.9259 k =-0.0089 0.0126 0.0154 ( 6449 PWs) bands (ev): -8.2013 -8.2013 -6.6917 -6.6912 -6.6756 -6.6754 -6.6686 -6.6685 -3.0642 -3.0641 1.0891 1.0949 1.3442 1.3505 1.6432 1.6642 1.7329 1.7350 1.8802 1.8939 2.3471 2.3531 2.8748 2.8770 2.9302 2.9315 2.9504 2.9507 3.0532 3.0567 3.1294 3.1313 4.0770 4.0934 4.1845 4.1899 4.3152 4.3328 4.3586 4.3616 4.4327 4.4329 4.4588 4.4608 4.5120 4.5123 4.5757 4.5951 4.7778 4.7870 4.8326 4.8419 4.9523 4.9617 5.1194 5.1284 6.2435 6.2450 6.6596 6.6599 6.8146 6.8161 6.8232 6.8248 7.8738 7.8832 9.0837 9.0839 9.3217 9.3334 9.3474 9.3595 10.9253 10.9284 k = 0.0000 0.0000 0.0000 ( 6443 PWs) bands (ev): -8.2020 -8.2020 -6.6911 -6.6911 -6.6752 -6.6752 -6.6679 -6.6679 -3.0649 -3.0649 1.0921 1.0921 1.3478 1.3478 1.6633 1.6633 1.7282 1.7282 1.8831 1.8831 2.3483 2.3483 2.8764 2.8764 2.9314 2.9314 2.9510 2.9510 3.0559 3.0559 3.1313 3.1313 4.0852 4.0852 4.1867 4.1867 4.3242 4.3242 4.3595 4.3595 4.4324 4.4324 4.4603 4.4603 4.5120 4.5120 4.5841 4.5841 4.7819 4.7819 4.8377 4.8377 4.9578 4.9578 5.1216 5.1216 6.2530 6.2530 6.6582 6.6582 6.8141 6.8141 6.8239 6.8239 7.8738 7.8738 9.0843 9.0843 9.3278 9.3278 9.3491 9.3491 10.9285 10.9285 k = 0.0000 0.0000 0.0000 ( 6443 PWs) bands (ev): -8.2020 -8.2020 -6.6911 -6.6911 -6.6752 -6.6752 -6.6679 -6.6679 -3.0649 -3.0649 1.0921 1.0921 1.3478 1.3478 1.6633 1.6633 1.7282 1.7282 1.8831 1.8831 2.3483 2.3483 2.8764 2.8764 2.9314 2.9314 2.9510 2.9510 3.0559 3.0559 3.1313 3.1313 4.0852 4.0852 4.1867 4.1867 4.3242 4.3242 4.3595 4.3595 4.4324 4.4324 4.4603 4.4603 4.5120 4.5120 4.5841 4.5841 4.7819 4.7819 4.8377 4.8377 4.9578 4.9578 5.1216 5.1216 6.2530 6.2530 6.6582 6.6582 6.8141 6.8141 6.8239 6.8239 7.8738 7.8738 9.0843 9.0843 9.3278 9.3278 9.3491 9.3491 10.9285 10.9285 k = 0.0179 0.0127 0.0000 ( 6455 PWs) bands (ev): -8.2012 -8.2012 -6.6919 -6.6919 -6.6759 -6.6759 -6.6680 -6.6680 -3.0642 -3.0642 1.0917 1.0917 1.3505 1.3505 1.6602 1.6602 1.7293 1.7293 1.8833 1.8833 2.3521 2.3521 2.8753 2.8753 2.9315 2.9315 2.9501 2.9501 3.0559 3.0559 3.1312 3.1312 4.0831 4.0831 4.1891 4.1891 4.3243 4.3243 4.3597 4.3597 4.4323 4.4323 4.4612 4.4612 4.5119 4.5119 4.5842 4.5842 4.7811 4.7811 4.8390 4.8390 4.9584 4.9584 5.1215 5.1215 6.2439 6.2439 6.6592 6.6592 6.8104 6.8104 6.8296 6.8296 7.8741 7.8741 9.0832 9.0832 9.3285 9.3285 9.3474 9.3474 10.8639 10.8639 k = 0.0357 0.0253 0.0000 ( 6459 PWs) bands (ev): -8.1990 -8.1990 -6.6944 -6.6944 -6.6778 -6.6778 -6.6681 -6.6681 -3.0620 -3.0620 1.0908 1.0908 1.3581 1.3581 1.6511 1.6511 1.7324 1.7324 1.8841 1.8841 2.3632 2.3632 2.8720 2.8720 2.9320 2.9320 2.9477 2.9477 3.0560 3.0560 3.1309 3.1309 4.0775 4.0775 4.1958 4.1958 4.3245 4.3245 4.3604 4.3604 4.4321 4.4321 4.4639 4.4639 4.5118 4.5118 4.5845 4.5845 4.7786 4.7786 4.8431 4.8431 4.9604 4.9604 5.1212 5.1212 6.2186 6.2186 6.6596 6.6596 6.7997 6.7997 6.8473 6.8473 7.8750 7.8750 9.0797 9.0797 9.3284 9.3284 9.3447 9.3447 10.7975 10.7975 k = 0.0536 0.0380 0.0000 ( 6463 PWs) bands (ev): -8.1952 -8.1952 -6.6998 -6.6998 -6.6799 -6.6799 -6.6683 -6.6683 -3.0585 -3.0585 1.0897 1.0897 1.3704 1.3704 1.6372 1.6372 1.7369 1.7369 1.8857 1.8857 2.3811 2.3811 2.8661 2.8661 2.9326 2.9326 2.9444 2.9444 3.0561 3.0561 3.1303 3.1303 4.0695 4.0695 4.2056 4.2056 4.3250 4.3250 4.3614 4.3614 4.4318 4.4318 4.4685 4.4685 4.5117 4.5117 4.5850 4.5850 4.7743 4.7743 4.8498 4.8498 4.9641 4.9641 5.1208 5.1208 6.1817 6.1817 6.6544 6.6544 6.7821 6.7821 6.8770 6.8770 7.8765 7.8765 9.0735 9.0735 9.3203 9.3203 9.3478 9.3478 10.7312 10.7312 k = 0.0714 0.0507 0.0000 ( 6455 PWs) bands (ev): -8.1900 -8.1900 -6.7085 -6.7085 -6.6815 -6.6815 -6.6686 -6.6686 -3.0537 -3.0537 1.0890 1.0890 1.3866 1.3866 1.6198 1.6198 1.7424 1.7424 1.8881 1.8881 2.4046 2.4046 2.8570 2.8570 2.9331 2.9331 2.9411 2.9411 3.0564 3.0564 3.1295 3.1295 4.0600 4.0600 4.2173 4.2173 4.3256 4.3256 4.3627 4.3627 4.4314 4.4314 4.4752 4.4752 4.5118 4.5118 4.5858 4.5858 4.7680 4.7680 4.8591 4.8591 4.9694 4.9694 5.1202 5.1202 6.1377 6.1377 6.6415 6.6415 6.7581 6.7581 6.9166 6.9166 7.8786 7.8786 9.0641 9.0641 9.3034 9.3034 9.3572 9.3572 10.6667 10.6667 k = 0.0893 0.0634 0.0000 ( 6451 PWs) bands (ev): -8.1833 -8.1833 -6.7205 -6.7205 -6.6826 -6.6826 -6.6690 -6.6690 -3.0476 -3.0476 1.0890 1.0890 1.4056 1.4056 1.6000 1.6000 1.7489 1.7489 1.8916 1.8916 2.4329 2.4329 2.8441 2.8441 2.9324 2.9324 2.9393 2.9393 3.0567 3.0567 3.1285 3.1285 4.0498 4.0498 4.2301 4.2301 4.3265 4.3265 4.3642 4.3642 4.4309 4.4309 4.4835 4.4835 4.5124 4.5124 4.5867 4.5867 4.7596 4.7596 4.8709 4.8709 4.9767 4.9767 5.1196 5.1196 6.0900 6.0900 6.6211 6.6211 6.7281 6.7281 6.9624 6.9624 7.8811 7.8811 9.0506 9.0506 9.2798 9.2798 9.3707 9.3707 10.6055 10.6055 k = 0.1071 0.0760 0.0000 ( 6439 PWs) bands (ev): -8.1751 -8.1751 -6.7354 -6.7354 -6.6834 -6.6834 -6.6694 -6.6694 -3.0404 -3.0404 1.0903 1.0903 1.4262 1.4262 1.5797 1.5797 1.7562 1.7562 1.8962 1.8962 2.4648 2.4648 2.8271 2.8271 2.9304 2.9304 2.9399 2.9399 3.0570 3.0570 3.1274 3.1274 4.0392 4.0392 4.2432 4.2432 4.3276 4.3276 4.3657 4.3657 4.4304 4.4304 4.4928 4.4928 4.5143 4.5143 4.5878 4.5878 4.7490 4.7490 4.8851 4.8851 4.9861 4.9861 5.1191 5.1191 6.0409 6.0409 6.5942 6.5942 6.6927 6.6927 7.0109 7.0109 7.8840 7.8840 9.0325 9.0325 9.2496 9.2496 9.3878 9.3878 10.5486 10.5486 k = 0.1250 0.0887 0.0000 ( 6439 PWs) bands (ev): -8.1655 -8.1655 -6.7530 -6.7530 -6.6840 -6.6840 -6.6699 -6.6699 -3.0322 -3.0322 1.0933 1.0933 1.4452 1.4452 1.5619 1.5619 1.7643 1.7643 1.9018 1.9018 2.4994 2.4994 2.8061 2.8061 2.9283 2.9283 2.9416 2.9416 3.0574 3.0574 3.1260 3.1260 4.0284 4.0284 4.2563 4.2563 4.3289 4.3289 4.3671 4.3671 4.4299 4.4299 4.5005 4.5005 4.5204 4.5204 4.5890 4.5890 4.7365 4.7365 4.9015 4.9015 4.9976 4.9976 5.1187 5.1187 5.9918 5.9918 6.5618 6.5618 6.6527 6.6527 7.0597 7.0597 7.8872 7.8872 9.0089 9.0089 9.2127 9.2127 9.4086 9.4086 10.4974 10.4974 k = 0.1429 0.1014 0.0000 ( 6443 PWs) bands (ev): -8.1546 -8.1546 -6.7729 -6.7729 -6.6846 -6.6846 -6.6705 -6.6705 -3.0231 -3.0231 1.0984 1.0984 1.4565 1.4565 1.5531 1.5531 1.7733 1.7733 1.9084 1.9084 2.5359 2.5359 2.7811 2.7811 2.9267 2.9267 2.9440 2.9440 3.0578 3.0578 3.1246 3.1246 4.0173 4.0173 4.2692 4.2692 4.3304 4.3304 4.3684 4.3684 4.4294 4.4294 4.5041 4.5041 4.5326 4.5326 4.5903 4.5903 4.7224 4.7224 4.9199 4.9199 5.0109 5.0109 5.1187 5.1187 5.9436 5.9436 6.5248 6.5248 6.6087 6.6087 7.1067 7.1067 7.8907 7.8907 8.9796 8.9796 9.1694 9.1694 9.4332 9.4332 10.4526 10.4526 k = 0.1607 0.1141 0.0000 ( 6431 PWs) bands (ev): -8.1422 -8.1422 -6.7951 -6.7951 -6.6852 -6.6852 -6.6711 -6.6711 -3.0132 -3.0132 1.1056 1.1056 1.4524 1.4524 1.5610 1.5610 1.7832 1.7832 1.9160 1.9160 2.5736 2.5736 2.7526 2.7526 2.9256 2.9256 2.9467 2.9467 3.0583 3.0583 3.1230 3.1230 4.0062 4.0062 4.2815 4.2815 4.3322 4.3322 4.3695 4.3695 4.4292 4.4292 4.5054 4.5054 4.5487 4.5487 4.5920 4.5920 4.7076 4.7076 4.9403 4.9403 5.0258 5.0258 5.1193 5.1193 5.8969 5.8969 6.4839 6.4839 6.5614 6.5614 7.1507 7.1507 7.8943 7.8943 8.9443 8.9443 9.1198 9.1198 9.4616 9.4616 10.4150 10.4150 k = 0.1786 0.1267 0.0000 ( 6427 PWs) bands (ev): -8.1286 -8.1286 -6.8193 -6.8193 -6.6858 -6.6858 -6.6717 -6.6717 -3.0029 -3.0029 1.1153 1.1153 1.4357 1.4357 1.5827 1.5827 1.7938 1.7938 1.9243 1.9243 2.6118 2.6118 2.7208 2.7208 2.9249 2.9249 2.9498 2.9498 3.0588 3.0588 3.1213 3.1213 3.9947 3.9947 4.2931 4.2931 4.3343 4.3343 4.3703 4.3703 4.4293 4.4293 4.5059 4.5059 4.5658 4.5658 4.5943 4.5943 4.6933 4.6933 4.9621 4.9621 5.0419 5.0419 5.1213 5.1213 5.8519 5.8519 6.4396 6.4396 6.5115 6.5115 7.1907 7.1907 7.8980 7.8980 8.9031 8.9031 9.0647 9.0647 9.4941 9.4941 10.3851 10.3851 k = 0.1964 0.1394 0.0000 ( 6443 PWs) bands (ev): -8.1138 -8.1138 -6.8452 -6.8452 -6.6863 -6.6863 -6.6724 -6.6724 -2.9921 -2.9921 1.1275 1.1275 1.4137 1.4137 1.6112 1.6112 1.8053 1.8053 1.9333 1.9333 2.6498 2.6498 2.6862 2.6862 2.9247 2.9247 2.9532 2.9532 3.0595 3.0595 3.1196 3.1196 3.9827 3.9827 4.3038 4.3038 4.3366 4.3366 4.3708 4.3708 4.4298 4.4298 4.5056 4.5056 4.5803 4.5803 4.5979 4.5979 4.6824 4.6824 4.9851 4.9851 5.0580 5.0580 5.1255 5.1255 5.8090 5.8090 6.3925 6.3925 6.4597 6.4597 7.2258 7.2258 7.9018 7.9018 8.8566 8.8566 9.0048 9.0048 9.5305 9.5305 10.3630 10.3630 k = 0.2143 0.1521 0.0000 ( 6451 PWs) bands (ev): -8.0977 -8.0977 -6.8726 -6.8726 -6.6869 -6.6869 -6.6731 -6.6731 -2.9810 -2.9810 1.1424 1.1424 1.3898 1.3898 1.6425 1.6425 1.8176 1.8176 1.9428 1.9428 2.6479 2.6479 2.6883 2.6883 2.9248 2.9248 2.9571 2.9571 3.0602 3.0602 3.1178 3.1178 3.9701 3.9701 4.3135 4.3135 4.3391 4.3391 4.3712 4.3712 4.4309 4.4309 4.5045 4.5045 4.5884 4.5884 4.6018 4.6018 4.6804 4.6804 5.0086 5.0086 5.0731 5.0731 5.1335 5.1335 5.7681 5.7681 6.3431 6.3431 6.4068 6.4068 7.2557 7.2557 7.9057 7.9057 8.8053 8.8053 8.9410 8.9410 9.5709 9.5709 10.3487 10.3487 k = 0.2321 0.1648 0.0000 ( 6451 PWs) bands (ev): -8.0806 -8.0806 -6.9014 -6.9014 -6.6874 -6.6874 -6.6738 -6.6738 -2.9698 -2.9698 1.1599 1.1599 1.3657 1.3657 1.6747 1.6747 1.8309 1.8309 1.9528 1.9528 2.6084 2.6084 2.7248 2.7248 2.9252 2.9252 2.9613 2.9613 3.0611 3.0611 3.1159 3.1159 3.9570 3.9570 4.3219 4.3219 4.3418 4.3418 4.3714 4.3714 4.4327 4.4327 4.5022 4.5022 4.5914 4.5914 4.6013 4.6013 4.6915 4.6915 5.0310 5.0310 5.0869 5.0869 5.1470 5.1470 5.7290 5.7290 6.2919 6.2919 6.3531 6.3531 7.2801 7.2801 7.9097 7.9097 8.7503 8.7503 8.8744 8.8744 9.6148 9.6148 10.3422 10.3422 k = 0.2500 0.1774 0.0000 ( 6447 PWs) bands (ev): -8.0624 -8.0624 -6.9312 -6.9312 -6.6880 -6.6880 -6.6746 -6.6746 -2.9587 -2.9587 1.1799 1.1799 1.3423 1.3423 1.7066 1.7066 1.8452 1.8452 1.9631 1.9631 2.5667 2.5667 2.7600 2.7600 2.9258 2.9258 2.9660 2.9660 3.0620 3.0620 3.1142 3.1142 3.9431 3.9431 4.3288 4.3288 4.3447 4.3447 4.3717 4.3717 4.4352 4.4352 4.4983 4.4983 4.5901 4.5901 4.5994 4.5994 4.7129 4.7129 5.0495 5.0495 5.1018 5.1018 5.1657 5.1657 5.6918 5.6918 6.2393 6.2393 6.2993 6.2993 7.2990 7.2990 7.9139 7.9139 8.6926 8.6926 8.8060 8.8060 9.6617 9.6617 10.3429 10.3429 k = 0.2679 0.1901 0.0000 ( 6463 PWs) bands (ev): -8.0434 -8.0434 -6.9617 -6.9617 -6.6885 -6.6885 -6.6753 -6.6753 -2.9478 -2.9478 1.2023 1.2023 1.3201 1.3201 1.7371 1.7371 1.8608 1.8608 1.9737 1.9737 2.5234 2.5234 2.7932 2.7932 2.9266 2.9266 2.9714 2.9714 3.0631 3.0631 3.1124 3.1124 3.9282 3.9282 4.3340 4.3340 4.3472 4.3472 4.3723 4.3723 4.4378 4.4378 4.4929 4.4929 4.5851 4.5851 4.6003 4.6003 4.7397 4.7397 5.0612 5.0612 5.1217 5.1217 5.1884 5.1884 5.6563 5.6563 6.1860 6.1860 6.2459 6.2459 7.3128 7.3128 7.9183 7.9183 8.6332 8.6332 8.7370 8.7370 9.7110 9.7110 10.3502 10.3502 k = 0.2857 0.2028 0.0000 ( 6447 PWs) bands (ev): -8.0236 -8.0236 -6.9928 -6.9928 -6.6890 -6.6890 -6.6761 -6.6761 -2.9372 -2.9372 1.2263 1.2263 1.3002 1.3002 1.7649 1.7649 1.8779 1.8779 1.9844 1.9844 2.4792 2.4792 2.8240 2.8240 2.9276 2.9276 2.9775 2.9775 3.0644 3.0644 3.1108 3.1108 3.9124 3.9124 4.3375 4.3375 4.3493 4.3493 4.3734 4.3734 4.4395 4.4395 4.4877 4.4877 4.5812 4.5812 4.6023 4.6023 4.7695 4.7695 5.0669 5.0669 5.1469 5.1469 5.2137 5.2137 5.6222 5.6222 6.1324 6.1324 6.1932 6.1932 7.3218 7.3218 7.9229 7.9229 8.5734 8.5734 8.6683 8.6683 9.7616 9.7616 10.3634 10.3634 k = 0.3036 0.2155 0.0000 ( 6447 PWs) bands (ev): -8.0033 -8.0033 -7.0241 -7.0241 -6.6895 -6.6895 -6.6768 -6.6768 -2.9270 -2.9270 1.2470 1.2470 1.2874 1.2874 1.7890 1.7890 1.8966 1.8966 1.9954 1.9954 2.4347 2.4347 2.8518 2.8518 2.9288 2.9288 2.9846 2.9846 3.0658 3.0658 3.1092 3.1092 3.8955 3.8955 4.3392 4.3392 4.3509 4.3509 4.3749 4.3749 4.4382 4.4382 4.4852 4.4852 4.5795 4.5795 4.6046 4.6046 4.8008 4.8008 5.0693 5.0693 5.1751 5.1751 5.2407 5.2407 5.5896 5.5896 6.0790 6.0790 6.1416 6.1416 7.3265 7.3265 7.9276 7.9276 8.5142 8.5142 8.6011 8.6011 9.8126 9.8126 10.3812 10.3812 k = 0.3214 0.2281 0.0000 ( 6447 PWs) bands (ev): -7.9825 -7.9825 -7.0553 -7.0553 -6.6900 -6.6900 -6.6775 -6.6775 -2.9173 -2.9173 1.2471 1.2471 1.2993 1.2993 1.8089 1.8089 1.9161 1.9161 2.0064 2.0064 2.3905 2.3905 2.8761 2.8761 2.9300 2.9300 2.9928 2.9928 3.0673 3.0673 3.1078 3.1078 3.8779 3.8779 4.3394 4.3394 4.3522 4.3522 4.3767 4.3767 4.4331 4.4331 4.4875 4.4875 4.5795 4.5795 4.6070 4.6070 4.8330 4.8330 5.0699 5.0699 5.2049 5.2049 5.2688 5.2688 5.5580 5.5580 6.0264 6.0264 6.0912 6.0912 7.3277 7.3277 7.9324 7.9324 8.4569 8.4569 8.5361 8.5361 9.8628 9.8628 10.4022 10.4022 k = 0.3393 0.2408 0.0000 ( 6451 PWs) bands (ev): -7.9615 -7.9615 -7.0860 -7.0860 -6.6904 -6.6904 -6.6782 -6.6782 -2.9083 -2.9083 1.2336 1.2336 1.3287 1.3287 1.8244 1.8244 1.9353 1.9353 2.0174 2.0174 2.3478 2.3478 2.8964 2.8964 2.9313 2.9313 3.0023 3.0023 3.0689 3.0689 3.1066 3.1066 3.8596 3.8596 4.3381 4.3381 4.3530 4.3530 4.3786 4.3786 4.4257 4.4257 4.4939 4.4939 4.5808 4.5808 4.6095 4.6095 4.8655 4.8655 5.0697 5.0697 5.2356 5.2356 5.2976 5.2976 5.5276 5.5276 5.9750 5.9750 6.0424 6.0424 7.3260 7.3260 7.9370 7.9370 8.4023 8.4023 8.4744 8.4744 9.9110 9.9110 10.4244 10.4244 k = 0.3571 0.2535 0.0000 ( 6455 PWs) bands (ev): -7.9407 -7.9407 -7.1158 -7.1158 -6.6909 -6.6909 -6.6788 -6.6788 -2.9001 -2.9001 1.2190 1.2190 1.3632 1.3632 1.8356 1.8356 1.9524 1.9524 2.0281 2.0281 2.3083 2.3083 2.9126 2.9126 2.9327 2.9327 3.0129 3.0129 3.0707 3.0707 3.1057 3.1057 3.8410 3.8410 4.3360 4.3360 4.3534 4.3534 4.3805 4.3805 4.4180 4.4180 4.5025 4.5025 4.5828 4.5828 4.6121 4.6121 4.8979 4.8979 5.0692 5.0692 5.2665 5.2665 5.3267 5.3267 5.4981 5.4981 5.9252 5.9252 5.9954 5.9954 7.3223 7.3223 7.9411 7.9411 8.3515 8.3515 8.4167 8.4167 9.9562 9.9562 10.4452 10.4452 k = 0.3750 0.2661 0.0000 ( 6463 PWs) bands (ev): -7.9204 -7.9204 -7.1443 -7.1443 -6.6912 -6.6912 -6.6793 -6.6793 -2.8926 -2.8926 1.2055 1.2055 1.4004 1.4004 1.8424 1.8424 1.9657 1.9657 2.0375 2.0375 2.2741 2.2741 2.9248 2.9248 2.9342 2.9342 3.0240 3.0240 3.0725 3.0725 3.1051 3.1051 3.8225 3.8225 4.3332 4.3332 4.3531 4.3531 4.3824 4.3824 4.4112 4.4112 4.5123 4.5123 4.5850 4.5850 4.6148 4.6148 4.9298 4.9298 5.0686 5.0686 5.2974 5.2974 5.3556 5.3556 5.4696 5.4696 5.8776 5.8776 5.9506 5.9506 7.3172 7.3172 7.9445 7.9445 8.3055 8.3055 8.3638 8.3638 9.9975 9.9975 10.3961 10.3961 k = 0.3929 0.2788 0.0000 ( 6451 PWs) bands (ev): -7.9009 -7.9009 -7.1711 -7.1711 -6.6916 -6.6916 -6.6799 -6.6799 -2.8860 -2.8860 1.1934 1.1934 1.4398 1.4398 1.8443 1.8443 1.9743 1.9743 2.0441 2.0441 2.2477 2.2477 2.9325 2.9325 2.9372 2.9372 3.0349 3.0349 3.0743 3.0743 3.1052 3.1052 3.8047 3.8047 4.3303 4.3303 4.3521 4.3521 4.3842 4.3842 4.4059 4.4059 4.5225 4.5225 4.5872 4.5872 4.6173 4.6173 4.9605 4.9605 5.0684 5.0684 5.3278 5.3278 5.3837 5.3837 5.4427 5.4427 5.8327 5.8327 5.9081 5.9081 7.3114 7.3114 7.9470 7.9470 8.2650 8.2650 8.3164 8.3164 10.0340 10.0340 10.3360 10.3360 k = 0.4107 0.2915 0.0000 ( 6451 PWs) bands (ev): -7.8829 -7.8829 -7.1954 -7.1954 -6.6919 -6.6919 -6.6803 -6.6803 -2.8804 -2.8804 1.1831 1.1831 1.4808 1.4808 1.8401 1.8401 1.9778 1.9778 2.0475 2.0475 2.2312 2.2312 2.9350 2.9350 2.9427 2.9427 3.0446 3.0446 3.0759 3.0759 3.1058 3.1058 3.7881 3.7881 4.3274 4.3274 4.3506 4.3506 4.3859 4.3859 4.4020 4.4020 4.5325 4.5325 4.5889 4.5889 4.6197 4.6197 4.9891 4.9891 5.0688 5.0688 5.3571 5.3571 5.4070 5.4070 5.4212 5.4212 5.7909 5.7909 5.8685 5.8685 7.3055 7.3055 7.9483 7.9483 8.2307 8.2307 8.2751 8.2751 10.0653 10.0653 10.2846 10.2846 k = 0.4286 0.3042 0.0000 ( 6423 PWs) bands (ev): -7.8668 -7.8668 -7.2167 -7.2167 -6.6921 -6.6921 -6.6807 -6.6807 -2.8757 -2.8757 1.1745 1.1745 1.5231 1.5231 1.8284 1.8284 1.9768 1.9768 2.0485 2.0485 2.2239 2.2239 2.9363 2.9363 2.9476 2.9476 3.0527 3.0527 3.0772 3.0772 3.1072 3.1072 3.7735 3.7735 4.3248 4.3248 4.3491 4.3491 4.3875 4.3875 4.3994 4.3994 4.5418 4.5418 4.5901 4.5901 4.6219 4.6219 5.0140 5.0140 5.0710 5.0710 5.3785 5.3785 5.3985 5.3985 5.4381 5.4381 5.7531 5.7531 5.8323 5.8323 7.3000 7.3000 7.9484 7.9484 8.2031 8.2031 8.2405 8.2405 10.0910 10.0910 10.2421 10.2421 k = 0.4464 0.3168 0.0000 ( 6415 PWs) bands (ev): -7.8534 -7.8534 -7.2343 -7.2343 -6.6923 -6.6923 -6.6809 -6.6809 -2.8720 -2.8720 1.1678 1.1678 1.5659 1.5659 1.8083 1.8083 1.9734 1.9734 2.0488 2.0488 2.2229 2.2229 2.9371 2.9371 2.9511 2.9511 3.0589 3.0589 3.0779 3.0779 3.1090 3.1090 3.7614 3.7614 4.3226 4.3226 4.3476 4.3476 4.3890 4.3890 4.3976 4.3976 4.5501 4.5501 4.5907 4.5907 4.6237 4.6237 5.0325 5.0325 5.0765 5.0765 5.3652 5.3652 5.4179 5.4179 5.4592 5.4592 5.7204 5.7204 5.8003 5.8003 7.2952 7.2952 7.9476 7.9476 8.1822 8.1822 8.2131 8.2131 10.1108 10.1108 10.2088 10.2088 k = 0.4643 0.3295 0.0000 ( 6415 PWs) bands (ev): -7.8431 -7.8431 -7.2475 -7.2475 -6.6924 -6.6924 -6.6812 -6.6812 -2.8694 -2.8694 1.1630 1.1630 1.6085 1.6085 1.7806 1.7806 1.9700 1.9700 2.0492 2.0492 2.2248 2.2248 2.9377 2.9377 2.9535 2.9535 3.0633 3.0633 3.0781 3.0781 3.1109 3.1109 3.7523 3.7523 4.3209 4.3209 4.3463 4.3463 4.3900 4.3900 4.3964 4.3964 4.5568 4.5568 4.5905 4.5905 4.6250 4.6250 5.0427 5.0427 5.0860 5.0860 5.3481 5.3481 5.4422 5.4422 5.4747 5.4747 5.6946 5.6946 5.7743 5.7743 7.2916 7.2916 7.9463 7.9463 8.1677 8.1677 8.1932 8.1932 10.1249 10.1249 10.1849 10.1849 k = 0.4821 0.3422 0.0000 ( 6423 PWs) bands (ev): -7.8367 -7.8367 -7.2557 -7.2557 -6.6925 -6.6925 -6.6813 -6.6813 -2.8678 -2.8678 1.1601 1.1601 1.6482 1.6482 1.7491 1.7491 1.9678 1.9678 2.0497 2.0497 2.2268 2.2268 2.9381 2.9381 2.9549 2.9549 3.0660 3.0660 3.0780 3.0780 3.1123 3.1123 3.7466 3.7466 4.3199 4.3199 4.3455 4.3455 4.3907 4.3907 4.3958 4.3958 4.5613 4.5613 4.5901 4.5901 4.6258 4.6258 5.0468 5.0468 5.0950 5.0950 5.3361 5.3361 5.4630 5.4630 5.4813 5.4813 5.6779 5.6779 5.7567 5.7567 7.2894 7.2894 7.9452 7.9452 8.1593 8.1593 8.1811 8.1811 10.1332 10.1332 10.1704 10.1704 k = 0.5000 0.3549 0.0000 ( 6432 PWs) bands (ev): -7.8346 -7.8346 -7.2585 -7.2585 -6.6925 -6.6925 -6.6813 -6.6813 -2.8672 -2.8672 1.1592 1.1592 1.6709 1.6709 1.7289 1.7289 1.9671 1.9671 2.0498 2.0498 2.2277 2.2277 2.9382 2.9382 2.9554 2.9554 3.0669 3.0669 3.0779 3.0779 3.1128 3.1128 3.7447 3.7447 4.3196 4.3196 4.3452 4.3452 4.3909 4.3909 4.3955 4.3955 4.5629 4.5629 4.5898 4.5898 4.6260 4.6260 5.0478 5.0478 5.0987 5.0987 5.3318 5.3318 5.4764 5.4764 5.4776 5.4776 5.6721 5.6721 5.7503 5.7503 7.2886 7.2886 7.9448 7.9448 8.1565 8.1565 8.1771 8.1771 10.1359 10.1359 10.1656 10.1656 k = 0.5000 0.3549 0.0000 ( 6432 PWs) bands (ev): -7.8346 -7.8346 -7.2585 -7.2585 -6.6925 -6.6925 -6.6813 -6.6813 -2.8672 -2.8672 1.1592 1.1592 1.6709 1.6709 1.7289 1.7289 1.9671 1.9671 2.0498 2.0498 2.2277 2.2277 2.9382 2.9382 2.9554 2.9554 3.0669 3.0669 3.0779 3.0779 3.1128 3.1128 3.7447 3.7447 4.3196 4.3196 4.3452 4.3452 4.3909 4.3909 4.3955 4.3955 4.5629 4.5629 4.5898 4.5898 4.6260 4.6260 5.0478 5.0478 5.0987 5.0987 5.3318 5.3318 5.4764 5.4764 5.4776 5.4776 5.6721 5.6721 5.7503 5.7503 7.2886 7.2886 7.9448 7.9448 8.1565 8.1565 8.1771 8.1771 10.1359 10.1359 10.1656 10.1656 k = 0.4911 0.3674 0.0154 ( 6420 PWs) bands (ev): -7.8341 -7.8341 -7.2583 -7.2578 -6.6935 -6.6928 -6.6820 -6.6818 -2.8668 -2.8664 1.1598 1.1607 1.6660 1.6741 1.7106 1.7434 1.9442 1.9858 2.0451 2.0509 2.2308 2.2321 2.9371 2.9380 2.9537 2.9567 3.0615 3.0716 3.0757 3.0786 3.1110 3.1143 3.7463 3.7471 4.3187 4.3202 4.3448 4.3453 4.3763 4.3925 4.3982 4.4056 4.5541 4.5618 4.5933 4.5944 4.6211 4.6357 5.0410 5.0533 5.0951 5.0997 5.3277 5.3304 5.4740 5.4761 5.4784 5.4796 5.6690 5.6764 5.7507 5.7509 7.2875 7.2913 7.9432 7.9552 8.1561 8.1624 8.1794 8.1798 10.1380 10.1391 10.1681 10.1688 k = 0.4822 0.3800 0.0308 ( 6420 PWs) bands (ev): -7.8328 -7.8327 -7.2573 -7.2561 -6.6959 -6.6949 -6.6835 -6.6828 -2.8650 -2.8643 1.1625 1.1643 1.6595 1.6756 1.6894 1.7528 1.9193 1.9987 2.0372 2.0485 2.2418 2.2424 2.9348 2.9365 2.9516 2.9576 3.0553 3.0720 3.0757 3.0781 3.1089 3.1153 3.7518 3.7534 4.3176 4.3206 4.3435 4.3450 4.3624 4.3891 4.4006 4.4200 4.5392 4.5571 4.6000 4.6031 4.6191 4.6505 5.0331 5.0571 5.0889 5.0982 5.3187 5.3234 5.4674 5.4717 5.4834 5.4853 5.6667 5.6793 5.7525 5.7544 7.2880 7.2955 7.9504 7.9743 8.1617 8.1706 8.1870 8.1900 10.1451 10.1472 10.1767 10.1779 k = 0.4733 0.3925 0.0462 ( 6424 PWs) bands (ev): -7.8306 -7.8305 -7.2553 -7.2536 -6.7006 -6.6995 -6.6851 -6.6835 -2.8620 -2.8610 1.1672 1.1700 1.6509 1.6662 1.6754 1.7552 1.8953 2.0047 2.0270 2.0438 2.2572 2.2599 2.9314 2.9337 2.9489 2.9580 3.0484 3.0672 3.0764 3.0788 3.1066 3.1159 3.7610 3.7634 4.3162 4.3208 4.3395 4.3445 4.3516 4.3855 4.4027 4.4340 4.5230 4.5526 4.6042 4.6157 4.6189 4.6683 5.0243 5.0593 5.0805 5.0945 5.3058 5.3114 5.4572 5.4636 5.4920 5.4941 5.6625 5.6765 5.7578 5.7642 7.2899 7.3011 7.9656 8.0010 8.1728 8.1787 8.1998 8.2115 10.1564 10.1592 10.1921 10.1935 k = 0.4644 0.4051 0.0616 ( 6432 PWs) bands (ev): -7.8276 -7.8274 -7.2524 -7.2502 -6.7079 -6.7070 -6.6862 -6.6836 -2.8578 -2.8565 1.1741 1.1777 1.6355 1.6464 1.6734 1.7484 1.8754 2.0036 2.0151 2.0386 2.2752 2.2835 2.9270 2.9296 2.9453 2.9577 3.0409 3.0613 3.0741 3.0806 3.1046 3.1159 3.7740 3.7769 4.3139 4.3206 4.3300 4.3437 4.3470 4.3817 4.4045 4.4475 4.5071 4.5489 4.6078 4.6198 4.6301 4.6871 5.0153 5.0600 5.0701 5.0891 5.2900 5.2955 5.4438 5.4523 5.5041 5.5054 5.6535 5.6663 5.7688 5.7815 7.2932 7.3079 7.9876 8.0336 8.1886 8.1894 8.2191 8.2425 10.1710 10.1742 10.2152 10.2164 k = 0.4555 0.4176 0.0769 ( 6440 PWs) bands (ev): -7.8237 -7.8234 -7.2487 -7.2459 -6.7178 -6.7171 -6.6869 -6.6833 -2.8525 -2.8509 1.1830 1.1874 1.6095 1.6342 1.6691 1.7314 1.8614 1.9959 2.0023 2.0337 2.2953 2.3109 2.9215 2.9241 2.9407 2.9565 3.0328 3.0547 3.0715 3.0811 3.1032 3.1154 3.7903 3.7936 4.3090 4.3199 4.3209 4.3426 4.3451 4.3779 4.4060 4.4602 4.4926 4.5463 4.6115 4.6218 4.6455 4.7053 5.0064 5.0578 5.0596 5.0828 5.2725 5.2769 5.4276 5.4381 5.5188 5.5192 5.6386 5.6497 5.7858 5.8046 7.2976 7.3159 8.0148 8.0687 8.2021 8.2132 8.2456 8.2821 10.1882 10.1917 10.2460 10.2470 k = 0.4466 0.4302 0.0923 ( 6444 PWs) bands (ev): -7.8190 -7.8187 -7.2440 -7.2407 -6.7300 -6.7294 -6.6873 -6.6827 -2.8462 -2.8443 1.1938 1.1991 1.5807 1.6225 1.6617 1.7072 1.8518 1.9840 1.9892 2.0283 2.3170 2.3404 2.9151 2.9174 2.9347 2.9538 3.0246 3.0477 3.0689 3.0800 3.1026 3.1141 3.8097 3.8133 4.2995 4.3162 4.3188 4.3410 4.3436 4.3742 4.4073 4.4711 4.4806 4.5445 4.6155 4.6247 4.6615 4.7217 4.9981 5.0452 5.0576 5.0760 5.2538 5.2565 5.4091 5.4216 5.5335 5.5370 5.6184 5.6289 5.8077 5.8313 7.3030 7.3248 8.0451 8.1014 8.2205 8.2481 8.2790 8.3298 10.2079 10.2118 10.2842 10.2853 k = 0.4377 0.4427 0.1077 ( 6444 PWs) bands (ev): -7.8136 -7.8133 -7.2386 -7.2347 -6.7443 -6.7437 -6.6875 -6.6821 -2.8391 -2.8369 1.2067 1.2127 1.5505 1.6102 1.6473 1.6827 1.8436 1.9694 1.9767 2.0217 2.3395 2.3709 2.9075 2.9094 2.9273 2.9492 3.0169 3.0404 3.0665 3.0778 3.1028 3.1123 3.8318 3.8356 4.2885 4.3135 4.3170 4.3391 4.3420 4.3708 4.4085 4.4664 4.4851 4.5433 4.6203 4.6287 4.6775 4.7355 4.9909 5.0317 5.0553 5.0697 5.2348 5.2350 5.3889 5.4034 5.5469 5.5570 5.5940 5.6074 5.8329 5.8604 7.3092 7.3343 8.0758 8.1285 8.2453 8.2958 8.3197 8.3856 10.2299 10.2344 10.3296 10.3309 k = 0.4287 0.4553 0.1231 ( 6438 PWs) bands (ev): -7.8075 -7.8071 -7.2322 -7.2278 -6.7604 -6.7599 -6.6876 -6.6813 -2.8312 -2.8287 1.2213 1.2280 1.5195 1.5973 1.6207 1.6657 1.8347 1.9531 1.9651 2.0136 2.3624 2.4016 2.8989 2.9003 2.9182 2.9423 3.0102 3.0333 3.0644 3.0751 3.1032 3.1097 3.8563 3.8600 4.2778 4.3109 4.3145 4.3368 4.3405 4.3679 4.4097 4.4567 4.4951 4.5425 4.6258 4.6340 4.6930 4.7458 4.9850 5.0181 5.0527 5.0645 5.2131 5.2160 5.3674 5.3839 5.5474 5.5644 5.5808 5.5973 5.8603 5.8907 7.3159 7.3442 8.1046 8.1499 8.2777 8.3494 8.3728 8.4492 10.2543 10.2595 10.3819 10.3838 k = 0.4198 0.4678 0.1385 ( 6448 PWs) bands (ev): -7.8008 -7.8004 -7.2251 -7.2201 -6.7782 -6.7778 -6.6876 -6.6805 -2.8227 -2.8199 1.2378 1.2450 1.4879 1.5840 1.5861 1.6535 1.8239 1.9358 1.9549 2.0043 2.3853 2.4318 2.8889 2.8902 2.9073 2.9329 3.0049 3.0265 3.0627 3.0722 3.1036 3.1065 3.8828 3.8863 4.2679 4.3082 4.3114 4.3340 4.3389 4.3656 4.4109 4.4483 4.5043 4.5420 4.6320 4.6406 4.7076 4.7521 4.9802 5.0047 5.0501 5.0611 5.1912 5.1981 5.3455 5.3638 5.5253 5.5342 5.6043 5.6089 5.8889 5.9214 7.3229 7.3543 8.1302 8.1678 8.3177 8.4000 8.4438 8.5203 10.2808 10.2868 10.4408 10.4436 k = 0.4109 0.4804 0.1539 ( 6446 PWs) bands (ev): -7.7936 -7.7931 -7.2171 -7.2116 -6.7975 -6.7970 -6.6875 -6.6796 -2.8138 -2.8108 1.2559 1.2634 1.4560 1.5487 1.5707 1.6421 1.8114 1.9177 1.9461 1.9938 2.4076 2.4610 2.8772 2.8794 2.8946 2.9214 3.0010 3.0203 3.0613 3.0695 3.1027 3.1038 3.9111 3.9142 4.2589 4.3051 4.3078 4.3308 4.3375 4.3640 4.4123 4.4414 4.5121 4.5415 4.6389 4.6486 4.7208 4.7542 4.9762 4.9919 5.0481 5.0601 5.1698 5.1815 5.3236 5.3438 5.4938 5.5012 5.6293 5.6300 5.9180 5.9520 7.3299 7.3644 8.1530 8.1839 8.3640 8.4505 8.5261 8.5982 10.3094 10.3162 10.5063 10.5103 k = 0.4020 0.4929 0.1693 ( 6432 PWs) bands (ev): -7.7859 -7.7854 -7.2084 -7.2024 -6.8179 -6.8175 -6.6873 -6.6787 -2.8047 -2.8014 1.2753 1.2829 1.4241 1.5103 1.5577 1.6303 1.7974 1.8992 1.9384 1.9823 2.4289 2.4886 2.8640 2.8680 2.8804 2.9088 2.9982 3.0147 3.0602 3.0672 3.0983 3.1036 3.9407 3.9432 4.2510 4.3016 4.3039 4.3273 4.3362 4.3630 4.4138 4.4357 4.5186 4.5411 4.6462 4.6580 4.7322 4.7524 4.9724 4.9802 5.0468 5.0619 5.1492 5.1669 5.3027 5.3245 5.4592 5.4667 5.6527 5.6570 5.9470 5.9820 7.3367 7.3741 8.1735 8.1992 8.4149 8.5021 8.6159 8.6824 10.3398 10.3475 10.5780 10.5836 k = 0.3931 0.5055 0.1847 ( 6432 PWs) bands (ev): -7.7779 -7.7774 -7.1989 -7.1924 -6.8394 -6.8389 -6.6871 -6.6777 -2.7955 -2.7920 1.2958 1.3029 1.3925 1.4721 1.5457 1.6177 1.7828 1.8805 1.9315 1.9700 2.4487 2.5140 2.8490 2.8560 2.8646 2.8961 2.9961 3.0099 3.0593 3.0653 3.0934 3.1030 3.9712 3.9729 4.2441 4.2976 4.3000 4.3235 4.3352 4.3626 4.4156 4.4312 4.5236 4.5405 4.6536 4.6685 4.7414 4.7473 4.9680 4.9697 5.0464 5.0661 5.1296 5.1546 5.2832 5.3066 5.4232 5.4312 5.6776 5.6849 5.9753 6.0109 7.3432 7.3834 8.1929 8.2143 8.4683 8.5542 8.7112 8.7721 10.3717 10.3804 10.6558 10.6633 k = 0.3842 0.5180 0.2001 ( 6434 PWs) bands (ev): -7.7698 -7.7693 -7.1887 -7.1817 -6.8615 -6.8610 -6.6868 -6.6768 -2.7864 -2.7827 1.3163 1.3218 1.3623 1.4351 1.5353 1.6042 1.7684 1.8617 1.9249 1.9571 2.4663 2.5364 2.8320 2.8435 2.8481 2.8845 2.9944 3.0059 3.0587 3.0637 3.0880 3.1019 4.0022 4.0030 4.2382 4.2934 4.2964 4.3195 4.3345 4.3628 4.4177 4.4276 4.5273 4.5398 4.6607 4.6797 4.7398 4.7482 4.9605 4.9626 5.0469 5.0723 5.1114 5.1449 5.2660 5.2908 5.3867 5.3951 5.7035 5.7134 6.0024 6.0383 7.3492 7.3920 8.2116 8.2295 8.5227 8.6058 8.8108 8.8663 10.4050 10.4145 10.7392 10.7493 k = 0.3753 0.5306 0.2154 ( 6430 PWs) bands (ev): -7.7617 -7.7611 -7.1778 -7.1703 -6.8840 -6.8834 -6.6865 -6.6758 -2.7775 -2.7737 1.3233 1.3336 1.3490 1.4026 1.5277 1.5902 1.7549 1.8433 1.9183 1.9436 2.4814 2.5553 2.8129 2.8274 2.8347 2.8747 2.9930 3.0027 3.0583 3.0624 3.0823 3.1004 4.0329 4.0334 4.2334 4.2889 4.2932 4.3155 4.3341 4.3635 4.4202 4.4250 4.5299 4.5389 4.6672 4.6913 4.7307 4.7526 4.9525 4.9561 5.0484 5.0797 5.0951 5.1382 5.2519 5.2780 5.3506 5.3590 5.7297 5.7420 6.0280 6.0637 7.3545 7.3997 8.2303 8.2448 8.5767 8.6559 8.9136 8.9640 10.4393 10.4494 10.8272 10.8412 k = 0.3664 0.5431 0.2308 ( 6426 PWs) bands (ev): -7.7537 -7.7531 -7.1663 -7.1583 -6.9065 -6.9060 -6.6862 -6.6749 -2.7691 -2.7652 1.2960 1.3331 1.3624 1.3888 1.5247 1.5761 1.7431 1.8255 1.9115 1.9297 2.4933 2.5694 2.7920 2.8080 2.8251 2.8674 2.9917 3.0005 3.0579 3.0613 3.0763 3.0985 4.0620 4.0641 4.2296 4.2846 4.2908 4.3116 4.3341 4.3648 4.4230 4.4232 4.5315 4.5378 4.6721 4.7023 4.7211 4.7549 4.9454 4.9483 5.0504 5.0814 5.0876 5.1345 5.2410 5.2685 5.3161 5.3237 5.7559 5.7702 6.0516 6.0869 7.3592 7.4065 8.2492 8.2606 8.6290 8.7034 9.0183 9.0641 10.4741 10.4849 10.9149 10.9386 k = 0.3575 0.5556 0.2462 ( 6426 PWs) bands (ev): -7.7462 -7.7456 -7.1541 -7.1456 -6.9289 -6.9282 -6.6859 -6.6740 -2.7614 -2.7573 1.2667 1.3069 1.3737 1.4006 1.5282 1.5627 1.7335 1.8086 1.9044 1.9154 2.5016 2.5781 2.7695 2.7873 2.8184 2.8630 2.9905 2.9991 3.0575 3.0603 3.0701 3.0961 4.0899 4.0939 4.2267 4.2804 4.2892 4.3079 4.3346 4.3667 4.4221 4.4265 4.5324 4.5363 4.6748 4.7119 4.7121 4.7559 4.9383 4.9393 5.0511 5.0726 5.0951 5.1338 5.2324 5.2621 5.2855 5.2904 5.7815 5.7977 6.0728 6.1074 7.3631 7.4123 8.2684 8.2767 8.6786 8.7473 9.1238 9.1654 10.5092 10.5205 10.9614 11.0315 k = 0.3486 0.5682 0.2616 ( 6426 PWs) bands (ev): -7.7393 -7.7387 -7.1414 -7.1324 -6.9506 -6.9499 -6.6855 -6.6731 -2.7543 -2.7502 1.2379 1.2740 1.3792 1.4176 1.5396 1.5517 1.7268 1.7930 1.8969 1.9009 2.5060 2.5805 2.7458 2.7658 2.8150 2.8615 2.9894 2.9987 3.0569 3.0594 3.0639 3.0934 4.1157 4.1220 4.2251 4.2766 4.2886 4.3044 4.3355 4.3693 4.4219 4.4304 4.5327 4.5345 4.6741 4.7051 4.7189 4.7568 4.9289 4.9304 5.0477 5.0721 5.1009 5.1364 5.2212 5.2485 5.2653 5.2706 5.8061 5.8241 6.0913 6.1249 7.3663 7.4170 8.2882 8.2934 8.7246 8.7867 9.2288 9.2663 10.5441 10.5557 10.9749 11.0352 k = 0.3397 0.5807 0.2770 ( 6434 PWs) bands (ev): -7.7333 -7.7327 -7.1281 -7.1187 -6.9713 -6.9705 -6.6852 -6.6722 -2.7482 -2.7440 1.2100 1.2405 1.3790 1.4306 1.5460 1.5583 1.7234 1.7791 1.8862 1.8888 2.5065 2.5766 2.7211 2.7435 2.8151 2.8629 2.9884 2.9991 3.0549 3.0586 3.0590 3.0902 4.1388 4.1475 4.2248 4.2733 4.2890 4.3015 4.3370 4.3727 4.4226 4.4348 4.5321 4.5328 4.6700 4.7007 4.7218 4.7591 4.9176 4.9208 5.0421 5.0776 5.1032 5.1422 5.2034 5.2206 5.2617 5.2724 5.8290 5.8486 6.1067 6.1391 7.3690 7.4207 8.3085 8.3107 8.7661 8.8207 9.3318 9.3655 10.5782 10.5899 10.9916 11.0431 k = 0.3308 0.5933 0.2924 ( 6432 PWs) bands (ev): -7.7285 -7.7279 -7.1144 -7.1045 -6.9907 -6.9897 -6.6848 -6.6714 -2.7431 -2.7389 1.1832 1.2077 1.3744 1.4352 1.5483 1.5825 1.7241 1.7674 1.8715 1.8802 2.5033 2.5672 2.6958 2.7207 2.8180 2.8668 2.9875 3.0005 3.0495 3.0573 3.0577 3.0868 4.1587 4.1691 4.2266 4.2706 4.2899 4.2994 4.3393 4.3766 4.4243 4.4396 4.5289 4.5328 4.6645 4.6979 4.7207 4.7634 4.9053 4.9093 5.0372 5.0849 5.0985 5.1512 5.1874 5.1945 5.2696 5.2817 5.8498 5.8710 6.1187 6.1497 7.3713 7.4235 8.3285 8.3294 8.8026 8.8491 9.4313 9.4612 10.6111 10.6228 11.0168 11.0602 k = 0.3219 0.6058 0.3078 ( 6432 PWs) bands (ev): -7.7252 -7.7247 -7.1002 -7.0898 -7.0083 -7.0071 -6.6844 -6.6706 -2.7392 -2.7350 1.1577 1.1760 1.3672 1.4307 1.5582 1.6098 1.7299 1.7585 1.8571 1.8711 2.4970 2.5532 2.6700 2.6975 2.8228 2.8728 2.9869 3.0026 3.0433 3.0564 3.0569 3.0831 4.1749 4.1850 4.2315 4.2686 4.2898 4.2995 4.3423 4.3809 4.4273 4.4447 4.5246 4.5330 4.6598 4.6953 4.7169 4.7688 4.8925 4.8962 5.0332 5.0847 5.0897 5.1612 5.1762 5.1821 5.2845 5.2961 5.8680 5.8905 6.1271 6.1565 7.3735 7.4255 8.3470 8.3510 8.8340 8.8717 9.5255 9.5516 10.6421 10.6538 11.0525 11.0882 k = 0.3130 0.6184 0.3232 ( 6428 PWs) bands (ev): -7.7238 -7.7232 -7.0858 -7.0748 -7.0237 -7.0222 -6.6841 -6.6699 -2.7365 -2.7324 1.1337 1.1458 1.3585 1.4203 1.5716 1.6377 1.7415 1.7533 1.8434 1.8614 2.4881 2.5358 2.6440 2.6741 2.8286 2.8799 2.9866 3.0054 3.0372 3.0555 3.0561 3.0793 4.1876 4.1943 4.2398 4.2673 4.2881 4.3023 4.3461 4.3853 4.4314 4.4498 4.5188 4.5338 4.6574 4.6925 4.7116 4.7744 4.8795 4.8821 5.0290 5.0636 5.0867 5.1680 5.1719 5.1910 5.3044 5.3151 5.8829 5.9068 6.1318 6.1593 7.3759 7.4271 8.3660 8.3731 8.8602 8.8889 9.6124 9.6347 10.6708 10.6821 11.0996 11.1283 k = 0.3130 0.6184 0.3232 ( 6428 PWs) bands (ev): -7.7238 -7.7232 -7.0858 -7.0748 -7.0237 -7.0222 -6.6841 -6.6699 -2.7365 -2.7324 1.1337 1.1458 1.3585 1.4203 1.5716 1.6377 1.7415 1.7533 1.8434 1.8614 2.4881 2.5358 2.6440 2.6741 2.8286 2.8799 2.9866 3.0054 3.0372 3.0555 3.0561 3.0793 4.1876 4.1943 4.2398 4.2673 4.2881 4.3023 4.3461 4.3853 4.4314 4.4498 4.5188 4.5338 4.6574 4.6925 4.7116 4.7744 4.8795 4.8821 5.0290 5.0636 5.0867 5.1680 5.1719 5.1910 5.3044 5.3151 5.8829 5.9068 6.1318 6.1593 7.3759 7.4271 8.3660 8.3731 8.8602 8.8889 9.6124 9.6347 10.6708 10.6821 11.0996 11.1283 k = 0.2934 0.6129 0.3300 ( 6426 PWs) bands (ev): -7.7243 -7.7238 -7.0806 -7.0696 -7.0281 -7.0246 -6.6842 -6.6699 -2.7359 -2.7319 1.1232 1.1328 1.3535 1.4134 1.5770 1.6495 1.7495 1.7530 1.8387 1.8583 2.4808 2.5238 2.6361 2.6665 2.8311 2.8833 2.9865 3.0068 3.0340 3.0543 3.0562 3.0771 4.1911 4.1972 4.2437 4.2667 4.2883 4.3041 4.3480 4.3873 4.4337 4.4521 4.5157 4.5345 4.6541 4.6860 4.7140 4.7750 4.8658 4.8864 5.0262 5.0547 5.0845 5.1709 5.1735 5.2021 5.3136 5.3253 5.8802 5.9059 6.1383 6.1657 7.3770 7.4278 8.3738 8.3880 8.8699 8.8951 9.6476 9.6679 10.6837 10.6947 11.1237 11.1501 k = 0.2738 0.6073 0.3368 ( 6424 PWs) bands (ev): -7.7263 -7.7258 -7.0798 -7.0699 -7.0257 -7.0192 -6.6848 -6.6703 -2.7361 -2.7321 1.1127 1.1199 1.3468 1.4033 1.5813 1.6606 1.7542 1.7607 1.8366 1.8577 2.4676 2.5047 2.6350 2.6646 2.8335 2.8866 2.9860 3.0079 3.0300 3.0524 3.0562 3.0742 4.1924 4.1999 4.2464 4.2664 4.2907 4.3064 4.3500 4.3897 4.4366 4.4546 4.5124 4.5353 4.6456 4.6754 4.7198 4.7714 4.8554 4.8937 5.0228 5.0488 5.0841 5.1751 5.1776 5.2195 5.3214 5.3365 5.8637 5.8923 6.1524 6.1808 7.3786 7.4287 8.3841 8.4083 8.8784 8.9014 9.6799 9.6981 10.6987 10.7092 11.1482 11.1731 k = 0.2543 0.6018 0.3436 ( 6416 PWs) bands (ev): -7.7294 -7.7289 -7.0834 -7.0750 -7.0160 -7.0075 -6.6860 -6.6714 -2.7368 -2.7329 1.1026 1.1077 1.3382 1.3899 1.5854 1.6700 1.7582 1.7735 1.8373 1.8592 2.4493 2.4806 2.6392 2.6678 2.8357 2.8897 2.9850 3.0089 3.0255 3.0496 3.0560 3.0710 4.1925 4.2019 4.2476 4.2668 4.2943 4.3091 4.3521 4.3925 4.4399 4.4571 4.5094 4.5363 4.6332 4.6642 4.7242 4.7640 4.8497 4.9023 5.0194 5.0460 5.0855 5.1802 5.1857 5.2409 5.3279 5.3482 5.8390 5.8699 6.1692 6.1985 7.3813 7.4304 8.3987 8.4324 8.8861 8.9089 9.7095 9.7255 10.7166 10.7267 11.1716 11.1961 k = 0.2347 0.5962 0.3504 ( 6424 PWs) bands (ev): -7.7333 -7.7328 -7.0895 -7.0824 -7.0017 -6.9919 -6.6879 -6.6732 -2.7380 -2.7343 1.0929 1.0965 1.3278 1.3738 1.5901 1.6773 1.7647 1.7874 1.8407 1.8624 2.4272 2.4536 2.6468 2.6749 2.8378 2.8924 2.9832 3.0097 3.0209 3.0457 3.0552 3.0678 4.1920 4.2032 4.2473 4.2681 4.2984 4.3120 4.3541 4.3952 4.4432 4.4593 4.5070 4.5373 4.6190 4.6526 4.7258 4.7546 4.8477 4.9114 5.0173 5.0459 5.0884 5.1863 5.1972 5.2656 5.3330 5.3607 5.8098 5.8422 6.1840 6.2139 7.3856 7.4334 8.4177 8.4595 8.8941 8.9180 9.7363 9.7501 10.7378 10.7476 11.1929 11.2177 k = 0.2152 0.5907 0.3572 ( 6419 PWs) bands (ev): -7.7377 -7.7372 -7.0964 -7.0903 -6.9849 -6.9744 -6.6905 -6.6756 -2.7397 -2.7361 1.0835 1.0869 1.3157 1.3555 1.5957 1.6828 1.7733 1.8016 1.8465 1.8670 2.4027 2.4252 2.6566 2.6847 2.8398 2.8946 2.9803 3.0101 3.0166 3.0407 3.0539 3.0650 4.1914 4.2040 4.2464 4.2697 4.3025 4.3153 4.3561 4.3979 4.4461 4.4611 4.5059 4.5385 4.6044 4.6409 4.7242 4.7449 4.8485 4.9198 5.0171 5.0480 5.0925 5.1929 5.2115 5.2932 5.3367 5.3747 5.7783 5.8117 6.1937 6.2241 7.3923 7.4381 8.4408 8.4891 8.9032 8.9290 9.7605 9.7722 10.7623 10.7722 11.2112 11.2372 k = 0.1956 0.5851 0.3640 ( 6414 PWs) bands (ev): -7.7425 -7.7421 -7.1034 -7.0981 -6.9669 -6.9556 -6.6938 -6.6788 -2.7416 -2.7382 1.0746 1.0791 1.3023 1.3361 1.6025 1.6869 1.7830 1.8153 1.8542 1.8729 2.3772 2.3963 2.6679 2.6962 2.8419 2.8964 2.9760 3.0100 3.0130 3.0346 3.0523 3.0628 4.1907 4.2046 4.2451 4.2712 4.3064 4.3187 4.3581 4.4004 4.4479 4.4622 4.5061 4.5398 4.5905 4.6293 4.7194 4.7360 4.8512 4.9264 5.0195 5.0519 5.0977 5.1990 5.2281 5.3231 5.3394 5.3915 5.7457 5.7798 6.1966 6.2273 7.4017 7.4450 8.4675 8.5202 8.9140 8.9415 9.7822 9.7920 10.7902 10.8007 11.2258 11.2536 k = 0.1760 0.5796 0.3708 ( 6417 PWs) bands (ev): -7.7474 -7.7470 -7.1101 -7.1055 -6.9481 -6.9363 -6.6979 -6.6829 -2.7438 -2.7406 1.0666 1.0726 1.2879 1.3163 1.6103 1.6903 1.7931 1.8280 1.8632 1.8798 2.3516 2.3678 2.6800 2.7088 2.8439 2.8978 2.9703 3.0084 3.0108 3.0283 3.0503 3.0609 4.1902 4.2050 4.2438 4.2721 4.3100 4.3222 4.3601 4.4025 4.4482 4.4627 4.5079 4.5413 4.5777 4.6182 4.7127 4.7280 4.8552 4.9305 5.0243 5.0574 5.1037 5.2037 5.2462 5.3400 5.3563 5.4121 5.7130 5.7473 6.1916 6.2227 7.4140 7.4541 8.4972 8.5520 8.9270 8.9554 9.8015 9.8097 10.8213 10.8330 11.2358 11.2658 k = 0.1565 0.5740 0.3776 ( 6420 PWs) bands (ev): -7.7522 -7.7518 -7.1163 -7.1123 -6.9290 -6.9169 -6.7029 -6.6878 -2.7460 -2.7432 1.0598 1.0672 1.2731 1.2970 1.6190 1.6934 1.8029 1.8390 1.8729 1.8876 2.3264 2.3401 2.6926 2.7221 2.8461 2.8989 2.9635 3.0038 3.0099 3.0229 3.0483 3.0592 4.1899 4.2054 4.2425 4.2723 4.3136 4.3256 4.3622 4.4041 4.4472 4.4621 4.5108 4.5428 4.5668 4.6081 4.7054 4.7204 4.8599 4.9319 5.0312 5.0643 5.1102 5.2066 5.2652 5.3414 5.3903 5.4375 5.6807 5.7148 6.1787 6.2103 7.4288 7.4654 8.5288 8.5834 8.9422 8.9704 9.8184 9.8254 10.8551 10.8686 11.2401 11.2725 k = 0.1369 0.5685 0.3844 ( 6416 PWs) bands (ev): -7.7568 -7.7564 -7.1219 -7.1185 -6.9100 -6.8975 -6.7087 -6.6936 -2.7483 -2.7457 1.0543 1.0628 1.2583 1.2787 1.6282 1.6963 1.8123 1.8483 1.8829 1.8958 2.3025 2.3139 2.7054 2.7354 2.8484 2.8998 2.9557 2.9966 3.0094 3.0195 3.0465 3.0575 4.1901 4.2058 4.2414 4.2716 4.3170 4.3289 4.3643 4.4052 4.4454 4.4604 4.5146 4.5442 4.5579 4.5993 4.6985 4.7132 4.8650 4.9313 5.0396 5.0724 5.1165 5.2070 5.2845 5.3428 5.4263 5.4673 5.6494 5.6829 6.1584 6.1904 7.4457 7.4782 8.5612 8.6134 8.9593 8.9861 9.8333 9.8392 10.8913 10.9068 11.2373 11.2716 k = 0.1174 0.5629 0.3912 ( 6417 PWs) bands (ev): -7.7610 -7.7607 -7.1268 -7.1240 -6.8913 -6.8786 -6.7152 -6.7004 -2.7504 -2.7482 1.0501 1.0592 1.2442 1.2619 1.6378 1.6987 1.8211 1.8558 1.8926 1.9038 2.2803 2.2898 2.7182 2.7484 2.8509 2.9006 2.9474 2.9873 3.0092 3.0176 3.0449 3.0558 4.1906 4.2060 4.2408 4.2702 4.3203 4.3319 4.3668 4.4056 4.4431 4.4576 4.5184 4.5444 4.5520 4.5919 4.6925 4.7063 4.8702 4.9290 5.0489 5.0815 5.1220 5.2049 5.3041 5.3451 5.4642 5.5000 5.6200 5.6517 6.1318 6.1640 7.4637 7.4919 8.5934 8.6411 8.9775 9.0017 9.8461 9.8512 10.9289 10.9468 11.2268 11.2613 k = 0.0978 0.5574 0.3980 ( 6418 PWs) bands (ev): -7.7647 -7.7645 -7.1310 -7.1287 -6.8732 -6.8604 -6.7226 -6.7080 -2.7524 -2.7504 1.0470 1.0562 1.2315 1.2469 1.6475 1.7003 1.8295 1.8615 1.9016 1.9111 2.2603 2.2682 2.7306 2.7603 2.8538 2.9016 2.9389 2.9768 3.0092 3.0164 3.0437 3.0540 4.1915 4.2060 4.2407 4.2679 4.3235 4.3345 4.3695 4.4052 4.4408 4.4540 4.5217 4.5415 4.5513 4.5859 4.6876 4.6999 4.8754 4.9256 5.0586 5.0913 5.1260 5.2004 5.3238 5.3493 5.5035 5.5311 5.5954 5.6223 6.1007 6.1326 7.4817 7.5055 8.6239 8.6654 8.9961 9.0167 9.8571 9.8614 10.9668 10.9871 11.2092 11.2410 k = 0.0782 0.5519 0.4048 ( 6420 PWs) bands (ev): -7.7679 -7.7677 -7.1345 -7.1326 -6.8560 -6.8433 -6.7305 -6.7164 -2.7541 -2.7525 1.0451 1.0537 1.2208 1.2339 1.6571 1.7010 1.8374 1.8655 1.9096 1.9172 2.2432 2.2497 2.7425 2.7704 2.8574 2.9028 2.9306 2.9660 3.0094 3.0154 3.0429 3.0521 4.1927 4.2056 4.2413 4.2651 4.3266 4.3364 4.3728 4.4040 4.4388 4.4501 4.5242 4.5377 4.5534 4.5809 4.6839 4.6942 4.8806 4.9214 5.0685 5.1014 5.1282 5.1938 5.3432 5.3557 5.5410 5.5451 5.5840 5.6030 6.0672 6.0980 7.4987 7.5178 8.6516 8.6857 9.0138 9.0303 9.8662 9.8698 11.0034 11.0260 11.1877 11.2133 k = 0.0587 0.5463 0.4115 ( 6413 PWs) bands (ev): -7.7704 -7.7702 -7.1372 -7.1358 -6.8399 -6.8279 -6.7387 -6.7255 -2.7554 -2.7542 1.0442 1.0515 1.2125 1.2230 1.6662 1.7003 1.8450 1.8677 1.9162 1.9219 2.2294 2.2346 2.7536 2.7776 2.8623 2.9034 2.9234 2.9552 3.0098 3.0144 3.0427 3.0502 4.1943 4.2048 4.2428 4.2618 4.3294 4.3376 4.3767 4.4018 4.4374 4.4462 4.5259 4.5346 4.5563 4.5768 4.6814 4.6894 4.8859 4.9168 5.0785 5.1103 5.1297 5.1855 5.3614 5.3648 5.5278 5.5609 5.5841 5.6230 6.0343 6.0624 7.5137 7.5280 8.6754 8.7013 9.0295 9.0416 9.8735 9.8764 11.0365 11.0610 11.1663 11.1832 k = 0.0391 0.5408 0.4183 ( 6404 PWs) bands (ev): -7.7722 -7.7721 -7.1390 -7.1381 -6.8256 -6.8151 -6.7460 -6.7349 -2.7563 -2.7555 1.0441 1.0495 1.2070 1.2144 1.6748 1.6981 1.8520 1.8680 1.9212 1.9251 2.2195 2.2231 2.7635 2.7814 2.8687 2.9011 2.9201 2.9449 3.0103 3.0135 3.0431 3.0484 4.1961 4.2035 4.2450 4.2583 4.3320 4.3378 4.3810 4.3988 4.4368 4.4429 4.5270 4.5322 4.5596 4.5733 4.6801 4.6855 4.8911 4.9118 5.0881 5.1143 5.1342 5.1759 5.3740 5.3786 5.5113 5.5373 5.6196 5.6484 6.0065 6.0290 7.5257 7.5353 8.6943 8.7116 9.0421 9.0500 9.8790 9.8810 11.0638 11.0891 11.1478 11.1573 k = 0.0196 0.5352 0.4251 ( 6401 PWs) bands (ev): -7.7733 -7.7733 -7.1400 -7.1396 -6.8138 -6.8072 -6.7507 -6.7436 -2.7568 -2.7564 1.0448 1.0477 1.2044 1.2083 1.6825 1.6943 1.8581 1.8664 1.9246 1.9265 2.2138 2.2157 2.7718 2.7814 2.8767 2.8943 2.9224 2.9358 3.0109 3.0126 3.0439 3.0466 4.1981 4.2019 4.2478 4.2547 4.3342 4.3373 4.3857 4.3949 4.4371 4.4401 4.5280 4.5304 4.5630 4.5699 4.6799 4.6826 4.8963 4.9067 5.0972 5.1115 5.1434 5.1653 5.3841 5.3889 5.5018 5.5170 5.6484 5.6644 5.9891 6.0022 7.5342 7.5390 8.7077 8.7163 9.0507 9.0546 9.8826 9.8836 11.0842 11.1048 11.1334 11.1425 k = 0.0000 0.5297 0.4319 ( 6404 PWs) bands (ev): -7.7737 -7.7737 -7.1402 -7.1402 -6.8068 -6.8068 -6.7498 -6.7498 -2.7568 -2.7568 1.0461 1.0461 1.2049 1.2049 1.6891 1.6891 1.8631 1.8631 1.9264 1.9264 2.2126 2.2126 2.7780 2.7780 2.8856 2.8856 2.9281 2.9281 3.0117 3.0117 3.0451 3.0451 4.2000 4.2000 4.2511 4.2511 4.3360 4.3360 4.3904 4.3904 4.4382 4.4382 4.5290 4.5290 4.5664 4.5664 4.6807 4.6807 4.9015 4.9015 5.1052 5.1052 5.1543 5.1543 5.3905 5.3905 5.5038 5.5038 5.6647 5.6647 5.9875 5.9875 7.5386 7.5386 8.7150 8.7150 9.0549 9.0549 9.8842 9.8842 11.0992 11.0992 11.1345 11.1345 k = 0.0000 0.5297 0.4319 ( 6404 PWs) bands (ev): -7.7737 -7.7737 -7.1402 -7.1402 -6.8068 -6.8068 -6.7498 -6.7498 -2.7568 -2.7568 1.0461 1.0461 1.2049 1.2049 1.6891 1.6891 1.8631 1.8631 1.9264 1.9264 2.2126 2.2126 2.7780 2.7780 2.8856 2.8856 2.9281 2.9281 3.0117 3.0117 3.0451 3.0451 4.2000 4.2000 4.2511 4.2511 4.3360 4.3360 4.3904 4.3904 4.4382 4.4382 4.5290 4.5290 4.5664 4.5664 4.6807 4.6807 4.9015 4.9015 5.1052 5.1052 5.1543 5.1543 5.3905 5.3905 5.5038 5.5038 5.6647 5.6647 5.9875 5.9875 7.5386 7.5386 8.7150 8.7150 9.0549 9.0549 9.8842 9.8842 11.0992 11.0992 11.1345 11.1345 k = 0.0089 0.5171 0.4474 ( 6406 PWs) bands (ev): -7.7733 -7.7733 -7.1401 -7.1397 -6.8071 -6.8071 -6.7503 -6.7499 -2.7575 -2.7572 1.0444 1.0464 1.1994 1.2012 1.6808 1.7036 1.8364 1.8415 1.9330 1.9700 2.2113 2.2163 2.7762 2.7796 2.8848 2.8868 2.9274 2.9293 3.0115 3.0124 3.0448 3.0452 4.1966 4.2022 4.2489 4.2542 4.3340 4.3383 4.3879 4.3928 4.4344 4.4423 4.5284 4.5290 4.5654 4.5673 4.6775 4.6871 4.8945 4.9000 5.1056 5.1116 5.1509 5.1590 5.3910 5.3916 5.5063 5.5095 5.6640 5.6642 5.9852 5.9876 7.5330 7.5388 8.7090 8.7216 9.0548 9.0568 9.8763 9.8834 11.0989 11.0995 11.1328 11.1366 k = 0.0179 0.5045 0.4628 ( 6408 PWs) bands (ev): -7.7723 -7.7723 -7.1393 -7.1384 -6.8081 -6.8081 -6.7513 -6.7504 -2.7591 -2.7586 1.0413 1.0454 1.1852 1.1888 1.6740 1.7252 1.7907 1.8074 1.9692 2.0217 2.2128 2.2225 2.7744 2.7813 2.8847 2.8887 2.9272 2.9311 3.0118 3.0136 3.0444 3.0451 4.1925 4.2026 4.2483 4.2576 4.3325 4.3408 4.3856 4.3950 4.4311 4.4464 4.5272 4.5285 4.5642 4.5677 4.6775 4.6968 4.8809 4.8908 5.1110 5.1173 5.1549 5.1665 5.3927 5.3947 5.5170 5.5228 5.6624 5.6627 5.9809 5.9855 7.5219 7.5335 8.7034 8.7286 9.0564 9.0606 9.8599 9.8742 11.0984 11.0996 11.1316 11.1391 k = 0.0268 0.4919 0.4782 ( 6410 PWs) bands (ev): -7.7706 -7.7706 -7.1378 -7.1365 -6.8097 -6.8097 -6.7528 -6.7515 -2.7616 -2.7609 1.0366 1.0431 1.1640 1.1694 1.6598 1.7341 1.7555 1.7919 2.0082 2.0722 2.2183 2.2313 2.7726 2.7827 2.8850 2.8911 2.9276 2.9334 3.0126 3.0153 3.0438 3.0448 4.1881 4.2011 4.2495 4.2608 4.3318 4.3433 4.3835 4.3968 4.4285 4.4505 4.5257 4.5278 4.5629 4.5675 4.6804 4.7095 4.8635 4.8763 5.1126 5.1149 5.1735 5.1813 5.3956 5.3999 5.5348 5.5426 5.6602 5.6602 5.9744 5.9814 7.5058 7.5230 8.6982 8.7362 9.0598 9.0661 9.8354 9.8571 11.0973 11.0990 11.1304 11.1416 k = 0.0357 0.4794 0.4937 ( 6422 PWs) bands (ev): -7.7683 -7.7682 -7.1356 -7.1340 -6.8120 -6.8119 -6.7549 -6.7531 -2.7651 -2.7642 1.0298 1.0394 1.1381 1.1448 1.6320 1.6799 1.7879 1.7952 2.0462 2.1177 2.2304 2.2434 2.7707 2.7841 2.8859 2.8940 2.9286 2.9361 3.0136 3.0174 3.0432 3.0443 4.1835 4.1979 4.2524 4.2634 4.3319 4.3455 4.3818 4.3980 4.4269 4.4541 4.5243 4.5270 4.5614 4.5669 4.6859 4.7247 4.8446 4.8596 5.1018 5.1141 5.2008 5.2048 5.3998 5.4074 5.5579 5.5675 5.6573 5.6583 5.9659 5.9753 7.4849 7.5076 8.6932 8.7444 9.0646 9.0734 9.8031 9.8325 11.0949 11.0968 11.1290 11.1438 k = 0.0446 0.4668 0.5091 ( 6422 PWs) bands (ev): -7.7653 -7.7652 -7.1328 -7.1308 -6.8148 -6.8148 -6.7574 -6.7552 -2.7695 -2.7684 1.0201 1.0340 1.1102 1.1170 1.5944 1.6249 1.8124 1.8250 2.0817 2.1532 2.2538 2.2594 2.7687 2.7852 2.8873 2.8975 2.9302 2.9393 3.0147 3.0198 3.0428 3.0437 4.1791 4.1938 4.2563 4.2652 4.3330 4.3476 4.3806 4.3985 4.4261 4.4572 4.5232 4.5261 4.5597 4.5660 4.6933 4.7418 4.8263 4.8427 5.0890 5.1098 5.2318 5.2343 5.4057 5.4174 5.5827 5.5954 5.6553 5.6592 5.9555 5.9674 7.4596 7.4875 8.6884 8.7532 9.0707 9.0823 9.7640 9.8013 11.0901 11.0921 11.1266 11.1451 k = 0.0536 0.4542 0.5245 ( 6432 PWs) bands (ev): -7.7617 -7.7615 -7.1293 -7.1269 -6.8183 -6.8182 -6.7605 -6.7579 -2.7747 -2.7733 1.0061 1.0263 1.0831 1.0878 1.5519 1.5703 1.8374 1.8645 2.1138 2.1764 2.2796 2.2902 2.7667 2.7862 2.8890 2.9012 2.9323 2.9427 3.0157 3.0224 3.0427 3.0431 4.1747 4.1890 4.2606 4.2662 4.3350 4.3494 4.3801 4.3983 4.4262 4.4594 4.5226 4.5251 4.5578 4.5648 4.7018 4.7591 4.8109 4.8274 5.0754 5.1040 5.2640 5.2667 5.4139 5.4303 5.6023 5.6191 5.6607 5.6690 5.9432 5.9577 7.4306 7.4634 8.6836 8.7627 9.0778 9.0925 9.7188 9.7644 11.0816 11.0836 11.1230 11.1450 k = 0.0625 0.4416 0.5399 ( 6428 PWs) bands (ev): -7.7575 -7.7573 -7.1252 -7.1224 -6.8223 -6.8222 -6.7641 -6.7610 -2.7806 -2.7790 0.9862 1.0146 1.0597 1.0600 1.5071 1.5164 1.8668 1.9055 2.1423 2.1922 2.3044 2.3347 2.7647 2.7870 2.8911 2.9053 2.9349 2.9464 3.0163 3.0250 3.0426 3.0433 4.1706 4.1841 4.2649 4.2667 4.3377 4.3509 4.3803 4.3976 4.4269 4.4610 4.5223 4.5239 4.5559 4.5638 4.7105 4.7697 4.8059 4.8152 5.0618 5.0980 5.2955 5.2995 5.4254 5.4468 5.6099 5.6262 5.6855 5.6937 5.9294 5.9465 7.3982 7.4356 8.6788 8.7727 9.0854 9.1040 9.6686 9.7230 11.0683 11.0703 11.1177 11.1429 k = 0.0714 0.4290 0.5554 ( 6422 PWs) bands (ev): -7.7527 -7.7525 -7.1205 -7.1173 -6.8269 -6.8268 -6.7681 -6.7647 -2.7871 -2.7854 0.9602 0.9959 1.0374 1.0411 1.4615 1.4633 1.8984 1.9471 2.1673 2.2053 2.3331 2.3824 2.7626 2.7877 2.8934 2.9095 2.9381 2.9502 3.0162 3.0272 3.0426 3.0446 4.1668 4.1793 4.2665 4.2690 4.3409 4.3524 4.3812 4.3967 4.4279 4.4618 4.5218 4.5224 4.5541 4.5627 4.7179 4.7652 4.8078 4.8197 5.0486 5.0924 5.3246 5.3298 5.4419 5.4678 5.6093 5.6239 5.7222 5.7290 5.9143 5.9341 7.3632 7.4048 8.6737 8.7833 9.0932 9.1166 9.6147 9.6780 11.0492 11.0516 11.1102 11.1383 k = 0.0804 0.4165 0.5708 ( 6420 PWs) bands (ev): -7.7474 -7.7472 -7.1151 -7.1115 -6.8319 -6.8318 -6.7727 -6.7688 -2.7941 -2.7923 0.9302 0.9696 1.0214 1.0258 1.4114 1.4157 1.9313 1.9888 2.1899 2.2180 2.3646 2.4305 2.7607 2.7883 2.8959 2.9136 2.9418 2.9540 3.0154 3.0285 3.0434 3.0468 4.1633 4.1747 4.2661 4.2723 4.3445 4.3540 4.3829 4.3957 4.4290 4.4622 4.5200 4.5212 4.5521 4.5616 4.7229 4.7564 4.8064 4.8418 5.0359 5.0877 5.3500 5.3550 5.4651 5.4936 5.6061 5.6198 5.7628 5.7691 5.8982 5.9212 7.3261 7.3714 8.6681 8.7945 9.1005 9.1299 9.5585 9.6307 11.0244 11.0273 11.1002 11.1306 k = 0.0893 0.4039 0.5862 ( 6412 PWs) bands (ev): -7.7417 -7.7415 -7.1092 -7.1053 -6.8374 -6.8373 -6.7777 -6.7735 -2.8016 -2.7997 0.8984 0.9397 1.0085 1.0122 1.3607 1.3701 1.9647 2.0300 2.2109 2.2315 2.3977 2.4778 2.7588 2.7890 2.8985 2.9177 2.9460 2.9575 3.0142 3.0288 3.0451 3.0496 4.1602 4.1705 4.2655 4.2748 4.3483 4.3558 4.3853 4.3947 4.4301 4.4623 4.5173 4.5197 4.5498 4.5600 4.7258 4.7495 4.8108 4.8661 5.0240 5.0841 5.3711 5.3738 5.4952 5.5237 5.6028 5.6166 5.8046 5.8104 5.8823 5.9088 7.2872 7.3360 8.6617 8.8059 9.1063 9.1440 9.5020 9.5824 10.9946 10.9982 11.0870 11.1194 k = 0.0982 0.3913 0.6016 ( 6410 PWs) bands (ev): -7.7356 -7.7353 -7.1027 -7.0984 -6.8433 -6.8431 -6.7832 -6.7786 -2.8095 -2.8075 0.8664 0.9091 0.9963 0.9992 1.3113 1.3251 1.9982 2.0706 2.2312 2.2460 2.4314 2.5234 2.7571 2.7897 2.9010 2.9216 2.9505 2.9607 3.0126 3.0282 3.0477 3.0529 4.1574 4.1667 4.2647 4.2764 4.3522 4.3579 4.3883 4.3938 4.4311 4.4622 4.5140 4.5175 4.5465 4.5578 4.7284 4.7459 4.8192 4.8909 5.0128 5.0816 5.3873 5.3881 5.5296 5.5556 5.6017 5.6167 5.8409 5.8478 5.8725 5.9015 7.2473 7.2989 8.6541 8.8173 9.1094 9.1584 9.4474 9.5343 10.9611 10.9653 11.0704 11.1043 k = 0.1071 0.3787 0.6171 ( 6402 PWs) bands (ev): -7.7291 -7.7288 -7.0957 -7.0910 -6.8495 -6.8494 -6.7892 -6.7843 -2.8175 -2.8155 0.8352 0.8790 0.9840 0.9864 1.2635 1.2810 2.0314 2.1101 2.2512 2.2616 2.4647 2.5668 2.7558 2.7907 2.9035 2.9253 2.9553 2.9633 3.0109 3.0270 3.0506 3.0565 4.1552 4.1634 4.2639 4.2769 4.3562 4.3603 4.3919 4.3929 4.4322 4.4621 4.5103 4.5148 4.5420 4.5546 4.7324 4.7462 4.8296 4.9153 5.0024 5.0802 5.3967 5.4013 5.5627 5.5824 5.6068 5.6266 5.8408 5.8623 5.8998 5.9178 7.2067 7.2606 8.6450 8.8280 9.1077 9.1731 9.3981 9.4878 10.9256 10.9304 11.0502 11.0852 k = 0.1161 0.3661 0.6325 ( 6408 PWs) bands (ev): -7.7223 -7.7221 -7.0882 -7.0832 -6.8560 -6.8558 -6.7957 -6.7904 -2.8257 -2.8237 0.8053 0.8499 0.9715 0.9735 1.2175 1.2379 2.0641 2.1484 2.2712 2.2784 2.4969 2.6075 2.7548 2.7919 2.9060 2.9288 2.9602 2.9652 3.0095 3.0255 3.0537 3.0601 4.1533 4.1606 4.2630 4.2765 4.3601 4.3628 4.3920 4.3961 4.4332 4.4620 4.5062 4.5117 4.5360 4.5504 4.7388 4.7503 4.8405 4.9385 4.9928 5.0795 5.4028 5.4109 5.5830 5.5961 5.6288 5.6535 5.8272 5.8561 5.9414 5.9557 7.1658 7.2215 8.6338 8.8367 9.0995 9.1877 9.3579 9.4442 10.8897 10.8948 11.0265 11.0623 k = 0.1250 0.3536 0.6479 ( 6404 PWs) bands (ev): -7.7154 -7.7151 -7.0802 -7.0748 -6.8628 -6.8625 -6.8026 -6.7970 -2.8339 -2.8319 0.7771 0.8222 0.9586 0.9605 1.1733 1.1961 2.0961 2.1852 2.2913 2.2961 2.5275 2.6450 2.7543 2.7935 2.9083 2.9321 2.9652 2.9665 3.0085 3.0238 3.0567 3.0637 4.1520 4.1584 4.2620 4.2754 4.3639 4.3655 4.3913 4.4008 4.4344 4.4620 4.5017 4.5082 4.5290 4.5456 4.7479 4.7580 4.8508 4.9597 4.9840 5.0793 5.4060 5.4170 5.5929 5.6046 5.6645 5.6889 5.8149 5.8476 5.9833 5.9969 7.1250 7.1820 8.6201 8.8408 9.0845 9.2020 9.3300 9.4049 10.8548 10.8599 10.9999 11.0358 k = 0.1339 0.3410 0.6633 ( 6406 PWs) bands (ev): -7.7083 -7.7080 -7.0718 -7.0661 -6.8696 -6.8694 -6.8099 -6.8040 -2.8420 -2.8400 0.7508 0.7962 0.9456 0.9476 1.1311 1.1558 2.1272 2.2202 2.3115 2.3147 2.5559 2.6787 2.7545 2.7956 2.9106 2.9353 2.9669 2.9704 3.0080 3.0221 3.0595 3.0670 4.1512 4.1568 4.2608 4.2735 4.3675 4.3681 4.3907 4.4058 4.4356 4.4620 4.4970 4.5042 4.5214 4.5404 4.7597 4.7689 4.8603 4.9754 4.9788 5.0789 5.4058 5.4191 5.6030 5.6146 5.7028 5.7249 5.8068 5.8415 6.0238 6.0374 7.0847 7.1423 8.6036 8.8365 9.0671 9.2156 9.3144 9.3709 10.8221 10.8270 10.9710 11.0066 k = 0.1429 0.3284 0.6788 ( 6404 PWs) bands (ev): -7.7012 -7.7009 -7.0629 -7.0569 -6.8766 -6.8762 -6.8176 -6.8115 -2.8500 -2.8480 0.7267 0.7720 0.9326 0.9349 1.0913 1.1171 2.1575 2.2533 2.3319 2.3337 2.5818 2.7081 2.7554 2.7983 2.9132 2.9383 2.9670 2.9754 3.0080 3.0203 3.0620 3.0700 4.1509 4.1559 4.2594 4.2710 4.3704 4.3712 4.3905 4.4111 4.4369 4.4620 4.4920 4.4996 4.5139 4.5351 4.7736 4.7825 4.8689 4.9687 4.9937 5.0779 5.4020 5.4169 5.6165 5.6281 5.7396 5.7552 5.8079 5.8398 6.0622 6.0758 7.0453 7.1028 8.5842 8.8194 9.0548 9.2280 9.3086 9.3435 10.7926 10.7970 10.9406 10.9755 k = 0.1518 0.3158 0.6942 ( 6410 PWs) bands (ev): -7.6941 -7.6938 -7.0537 -7.0474 -6.8835 -6.8830 -6.8257 -6.8194 -2.8576 -2.8557 0.7048 0.7496 0.9196 0.9224 1.0539 1.0803 2.1867 2.2840 2.3524 2.3530 2.6047 2.7325 2.7572 2.8014 2.9163 2.9413 2.9670 2.9804 3.0084 3.0186 3.0642 3.0726 4.1512 4.1555 4.2576 4.2679 4.3728 4.3739 4.3910 4.4166 4.4383 4.4619 4.4869 4.4939 4.5074 4.5301 4.7892 4.7982 4.8766 4.9624 5.0054 5.0758 5.3942 5.4100 5.6341 5.6457 5.7718 5.7721 5.8259 5.8448 6.0978 6.1114 7.0071 7.0639 8.5619 8.7883 9.0527 9.2381 9.3091 9.3239 10.7668 10.7706 10.9098 10.9434 k = 0.1607 0.3032 0.7096 ( 6414 PWs) bands (ev): -7.6872 -7.6869 -7.0441 -7.0375 -6.8902 -6.8897 -6.8342 -6.8277 -2.8649 -2.8630 0.6852 0.7291 0.9069 0.9104 1.0192 1.0455 2.2148 2.3118 2.3722 2.3731 2.6245 2.7513 2.7602 2.8050 2.9203 2.9443 2.9670 2.9852 3.0092 3.0170 3.0660 3.0747 4.1521 4.1559 4.2553 4.2644 4.3750 4.3758 4.3927 4.4220 4.4399 4.4618 4.4818 4.4873 4.5022 4.5254 4.8060 4.8156 4.8840 4.9569 5.0135 5.0723 5.3824 5.3985 5.6560 5.6674 5.7797 5.7970 5.8552 5.8590 6.1300 6.1436 6.9705 7.0258 8.5374 8.7465 9.0602 9.2447 9.3130 9.3132 10.7451 10.7483 10.8792 10.9112 k = 0.1696 0.2907 0.7251 ( 6416 PWs) bands (ev): -7.6805 -7.6802 -7.0343 -7.0273 -6.8968 -6.8962 -6.8431 -6.8364 -2.8717 -2.8700 0.6681 0.7105 0.8945 0.8989 0.9875 1.0129 2.2415 2.3362 2.3911 2.3940 2.6410 2.7642 2.7644 2.8087 2.9256 2.9473 2.9673 2.9897 3.0103 3.0154 3.0675 3.0763 4.1536 4.1568 4.2526 4.2603 4.3765 4.3772 4.3958 4.4272 4.4415 4.4611 4.4769 4.4808 4.4978 4.5210 4.8233 4.8343 4.8916 4.9522 5.0182 5.0675 5.3668 5.3828 5.6818 5.6928 5.7878 5.8146 5.8816 5.8863 6.1585 6.1718 6.9359 6.9890 8.5114 8.6988 9.0745 9.2470 9.3112 9.3193 10.7278 10.7302 10.8499 10.8798 k = 0.1786 0.2781 0.7405 ( 6416 PWs) bands (ev): -7.6741 -7.6739 -7.0241 -7.0169 -6.9030 -6.9023 -6.8523 -6.8455 -2.8780 -2.8764 0.6534 0.6939 0.8826 0.8881 0.9590 0.9827 2.2669 2.3569 2.4095 2.4150 2.6543 2.7696 2.7721 2.8121 2.9319 2.9502 2.9681 2.9938 3.0116 3.0142 3.0687 3.0773 4.1557 4.1584 4.2494 4.2558 4.3767 4.3792 4.4000 4.4321 4.4432 4.4596 4.4722 4.4757 4.4938 4.5169 4.8400 4.8538 4.9004 4.9486 5.0200 5.0615 5.3479 5.3636 5.7106 5.7211 5.7983 5.8288 5.9075 5.9158 6.1830 6.1957 6.9037 6.9537 8.4849 8.6494 9.0926 9.2465 9.3159 9.3264 10.7148 10.7164 10.8225 10.8500 k = 0.1875 0.2655 0.7559 ( 6418 PWs) bands (ev): -7.6682 -7.6680 -7.0138 -7.0063 -6.9089 -6.9079 -6.8617 -6.8548 -2.8837 -2.8822 0.6412 0.6790 0.8712 0.8782 0.9341 0.9552 2.2907 2.3736 2.4271 2.4357 2.6646 2.7748 2.7761 2.8152 2.9388 2.9531 2.9693 2.9969 3.0132 3.0138 3.0695 3.0778 4.1583 4.1605 4.2455 4.2509 4.3765 4.3809 4.4049 4.4364 4.4449 4.4568 4.4678 4.4727 4.4900 4.5130 4.8552 4.8735 4.9113 4.9462 5.0195 5.0547 5.3266 5.3416 5.7415 5.7513 5.8111 5.8424 5.9328 5.9424 6.2031 6.2150 6.8743 6.9204 8.4592 8.6008 9.1127 9.2454 9.3240 9.3339 10.7057 10.7066 10.7978 10.8225 k = 0.1964 0.2529 0.7713 ( 6422 PWs) bands (ev): -7.6628 -7.6626 -7.0032 -6.9955 -6.9142 -6.9131 -6.8714 -6.8645 -2.8887 -2.8875 0.6313 0.6659 0.8604 0.8690 0.9130 0.9305 2.3127 2.3867 2.4437 2.4553 2.6727 2.7732 2.7833 2.8182 2.9454 2.9558 2.9709 2.9981 3.0147 3.0153 3.0700 3.0777 4.1614 4.1632 4.2413 4.2457 4.3765 4.3823 4.4103 4.4398 4.4464 4.4534 4.4637 4.4718 4.4862 4.5094 4.8677 4.8922 4.9250 4.9456 5.0177 5.0475 5.3037 5.3177 5.7731 5.7822 5.8256 5.8558 5.9557 5.9657 6.2189 6.2298 6.8481 6.8896 8.4354 8.5548 9.1333 9.2444 9.3333 9.3414 10.6998 10.7003 10.7765 10.7980 k = 0.2054 0.2403 0.7868 ( 6422 PWs) bands (ev): -7.6581 -7.6579 -6.9926 -6.9846 -6.9190 -6.9175 -6.8813 -6.8745 -2.8930 -2.8920 0.6239 0.6544 0.8505 0.8607 0.8958 0.9091 2.3328 2.3962 2.4590 2.4730 2.6792 2.7680 2.7911 2.8211 2.9510 2.9583 2.9729 2.9973 3.0172 3.0178 3.0704 3.0772 4.1650 4.1663 4.2366 4.2402 4.3767 4.3833 4.4161 4.4416 4.4478 4.4509 4.4602 4.4718 4.4827 4.5058 4.8777 4.9074 4.9410 4.9487 5.0153 5.0405 5.2800 5.2930 5.8041 5.8123 5.8409 5.8689 5.9754 5.9851 6.2305 6.2401 6.8257 6.8617 8.4147 8.5127 9.1534 9.2435 9.3427 9.3486 10.6961 10.6966 10.7595 10.7772 k = 0.2143 0.2278 0.8022 ( 6426 PWs) bands (ev): -7.6541 -7.6540 -6.9819 -6.9736 -6.9231 -6.9212 -6.8913 -6.8847 -2.8966 -2.8958 0.6188 0.6444 0.8418 0.8531 0.8824 0.8912 2.3508 2.4026 2.4730 2.4879 2.6851 2.7601 2.7989 2.8236 2.9555 2.9605 2.9750 2.9952 3.0204 3.0207 3.0706 3.0764 4.1688 4.1697 4.2318 4.2347 4.3772 4.3839 4.4219 4.4415 4.4487 4.4504 4.4574 4.4713 4.4804 4.5023 4.8858 4.9159 4.9573 4.9578 5.0136 5.0343 5.2568 5.2685 5.8329 5.8400 5.8563 5.8808 5.9917 6.0005 6.2384 6.2464 6.8074 6.8373 8.3980 8.4754 9.1722 9.2423 9.3514 9.3552 10.6933 10.6943 10.7473 10.7608 k = 0.2232 0.2152 0.8176 ( 6426 PWs) bands (ev): -7.6509 -7.6508 -6.9712 -6.9627 -6.9266 -6.9241 -6.9013 -6.8951 -2.8994 -2.8988 0.6158 0.6358 0.8349 0.8460 0.8726 0.8774 2.3665 2.4059 2.4852 2.4992 2.6913 2.7503 2.8063 2.8253 2.9589 2.9622 2.9769 2.9923 3.0235 3.0236 3.0707 3.0753 4.1726 4.1732 4.2272 4.2294 4.3780 4.3839 4.4277 4.4404 4.4490 4.4509 4.4558 4.4689 4.4806 4.4989 4.8928 4.9180 4.9694 4.9729 5.0140 5.0301 5.2353 5.2453 5.8578 5.8629 5.8714 5.8906 6.0045 6.0118 6.2433 6.2496 6.7937 6.8167 8.3863 8.4437 9.1890 9.2403 9.3588 9.3610 10.6906 10.6923 10.7401 10.7492 k = 0.2321 0.2026 0.8330 ( 6428 PWs) bands (ev): -7.6486 -7.6485 -6.9608 -6.9520 -6.9295 -6.9259 -6.9109 -6.9056 -2.9014 -2.9010 0.6149 0.6286 0.8305 0.8394 0.8660 0.8680 2.3798 2.4063 2.4955 2.5064 2.6986 2.7394 2.8130 2.8259 2.9615 2.9635 2.9788 2.9891 3.0260 3.0262 3.0710 3.0741 4.1761 4.1764 4.2232 4.2247 4.3790 4.3834 4.4330 4.4397 4.4484 4.4511 4.4556 4.4651 4.4826 4.4954 4.8990 4.9169 4.9795 4.9834 5.0179 5.0288 5.2176 5.2252 5.8770 5.8784 5.8864 5.8978 6.0138 6.0192 6.2460 6.2503 6.7849 6.8005 8.3800 8.4181 9.2034 9.2369 9.3644 9.3655 10.6880 10.6899 10.7370 10.7423 k = 0.2411 0.1900 0.8485 ( 6434 PWs) bands (ev): -7.6471 -7.6471 -6.9510 -6.9431 -6.9314 -6.9264 -6.9192 -6.9160 -2.9026 -2.9023 0.6159 0.6229 0.8288 0.8338 0.8621 0.8628 2.3905 2.4038 2.5033 2.5093 2.7073 2.7282 2.8185 2.8250 2.9633 2.9642 2.9808 2.9860 3.0277 3.0278 3.0714 3.0730 4.1786 4.1788 4.2205 4.2213 4.3802 4.3825 4.4370 4.4393 4.4483 4.4506 4.4564 4.4612 4.4854 4.4920 4.9047 4.9139 4.9853 4.9879 5.0242 5.0297 5.2061 5.2103 5.8876 5.8887 5.8977 5.9019 6.0200 6.0228 6.2476 6.2498 6.7811 6.7890 8.3799 8.3988 9.2153 9.2319 9.3680 9.3684 10.6862 10.6876 10.7364 10.7387 k = 0.2500 0.1774 0.8639 ( 6440 PWs) bands (ev): -7.6466 -7.6466 -6.9432 -6.9432 -6.9273 -6.9273 -6.9234 -6.9234 -2.9029 -2.9029 0.6186 0.6186 0.8300 0.8300 0.8610 0.8610 2.3985 2.3985 2.5081 2.5081 2.7173 2.7173 2.8225 2.8225 2.9641 2.9641 2.9832 2.9832 3.0283 3.0283 3.0720 3.0720 4.1796 4.1796 4.2197 4.2197 4.3814 4.3814 4.4389 4.4389 4.4493 4.4493 4.4582 4.4582 4.4886 4.4886 4.9097 4.9097 4.9879 4.9879 5.0289 5.0289 5.2034 5.2034 5.8917 5.8917 5.9025 5.9025 6.0230 6.0230 6.2488 6.2488 6.7824 6.7824 8.3861 8.3861 9.2248 9.2248 9.3693 9.3693 10.6861 10.6861 10.7371 10.7371 k = 0.2500 0.1774 0.8639 ( 6440 PWs) bands (ev): -7.6466 -7.6466 -6.9432 -6.9432 -6.9273 -6.9273 -6.9234 -6.9234 -2.9029 -2.9029 0.6186 0.6186 0.8300 0.8300 0.8610 0.8610 2.3985 2.3985 2.5081 2.5081 2.7173 2.7173 2.8225 2.8225 2.9641 2.9641 2.9832 2.9832 3.0283 3.0283 3.0720 3.0720 4.1796 4.1796 4.2197 4.2197 4.3814 4.3814 4.4389 4.4389 4.4493 4.4493 4.4582 4.4582 4.4886 4.4886 4.9097 4.9097 4.9879 4.9879 5.0289 5.0289 5.2034 5.2034 5.8917 5.8917 5.9025 5.9025 6.0230 6.0230 6.2488 6.2488 6.7824 6.7824 8.3861 8.3861 9.2248 9.2248 9.3693 9.3693 10.6861 10.6861 10.7371 10.7371 k = 0.2639 0.1873 0.8518 ( 6440 PWs) bands (ev): -7.6468 -7.6468 -6.9468 -6.9417 -6.9302 -6.9261 -6.9221 -6.9208 -2.9028 -2.9027 0.6169 0.6212 0.8084 0.8122 0.8827 0.8836 2.3871 2.3922 2.5128 2.5132 2.7057 2.7186 2.8266 2.8297 2.9636 2.9643 2.9817 2.9852 3.0280 3.0281 3.0716 3.0728 4.1787 4.1789 4.2205 4.2209 4.3805 4.3819 4.4380 4.4383 4.4486 4.4494 4.4587 4.4600 4.4867 4.4905 4.9046 4.9101 4.9828 4.9842 5.0308 5.0328 5.2079 5.2100 5.8687 5.8709 5.9222 5.9255 6.0220 6.0234 6.2480 6.2492 6.7786 6.7829 8.3825 8.3932 9.2040 9.2141 9.3812 9.3821 10.6836 10.6843 10.7422 10.7436 k = 0.2778 0.1971 0.8397 ( 6432 PWs) bands (ev): -7.6472 -7.6471 -6.9506 -6.9437 -6.9311 -6.9271 -6.9189 -6.9156 -2.9025 -2.9023 0.6156 0.6250 0.7790 0.7871 0.9173 0.9188 2.3641 2.3708 2.5199 2.5273 2.6870 2.7132 2.8401 2.8431 2.9626 2.9644 2.9804 2.9884 3.0270 3.0275 3.0711 3.0742 4.1760 4.1768 4.2231 4.2236 4.3793 4.3823 4.4355 4.4379 4.4451 4.4504 4.4624 4.4627 4.4847 4.4925 4.8953 4.9069 4.9721 4.9745 5.0365 5.0381 5.2235 5.2264 5.8411 5.8448 5.9461 5.9526 6.0206 6.0229 6.2469 6.2492 6.7713 6.7794 8.3823 8.4041 9.1620 9.1820 9.4084 9.4099 10.6773 10.6778 10.7590 10.7615 k = 0.2917 0.2070 0.8276 ( 6430 PWs) bands (ev): -7.6477 -7.6476 -6.9542 -6.9472 -6.9314 -6.9280 -6.9151 -6.9108 -2.9019 -2.9016 0.6141 0.6297 0.7518 0.7650 0.9549 0.9568 2.3342 2.3413 2.5242 2.5423 2.6667 2.7066 2.8578 2.8579 2.9615 2.9642 2.9795 2.9930 3.0252 3.0265 3.0708 3.0762 4.1722 4.1739 4.2268 4.2275 4.3777 4.3823 4.4324 4.4372 4.4412 4.4518 4.4657 4.4671 4.4827 4.4947 4.8826 4.9007 4.9588 4.9626 5.0426 5.0429 5.2482 5.2507 5.8141 5.8191 5.9691 5.9785 6.0190 6.0224 6.2451 6.2484 6.7605 6.7718 8.3858 8.4188 9.1112 9.1405 9.4393 9.4409 10.6679 10.6683 10.7860 10.7892 k = 0.3056 0.2169 0.8155 ( 6427 PWs) bands (ev): -7.6483 -7.6482 -6.9575 -6.9509 -6.9314 -6.9285 -6.9113 -6.9068 -2.9009 -2.9005 0.6118 0.6348 0.7280 0.7475 0.9944 0.9967 2.3000 2.3074 2.5229 2.5523 2.6500 2.7031 2.8707 2.8756 2.9604 2.9636 2.9795 2.9992 3.0231 3.0250 3.0707 3.0788 4.1680 4.1705 4.2310 4.2321 4.3757 4.3819 4.4291 4.4349 4.4388 4.4534 4.4686 4.4717 4.4812 4.4969 4.8676 4.8920 4.9449 4.9504 5.0464 5.0495 5.2791 5.2802 5.7882 5.7940 5.9889 5.9986 6.0198 6.0265 6.2426 6.2468 6.7461 6.7599 8.3927 8.4373 9.0573 9.0958 9.4690 9.4705 10.6556 10.6571 10.8215 10.8252 k = 0.3194 0.2267 0.8035 ( 6414 PWs) bands (ev): -7.6489 -7.6489 -6.9603 -6.9543 -6.9312 -6.9287 -6.9081 -6.9037 -2.8995 -2.8990 0.6083 0.6391 0.7089 0.7351 1.0355 1.0381 2.2628 2.2707 2.5153 2.5515 2.6425 2.7044 2.8803 2.8905 2.9594 2.9624 2.9810 3.0069 3.0209 3.0233 3.0710 3.0819 4.1638 4.1671 4.2352 4.2369 4.3733 4.3811 4.4260 4.4310 4.4383 4.4549 4.4712 4.4741 4.4823 4.4992 4.8514 4.8814 4.9311 4.9385 5.0499 5.0561 5.3128 5.3136 5.7635 5.7701 5.9964 6.0027 6.0320 6.0454 6.2393 6.2441 6.7286 6.7439 8.4031 8.4592 9.0031 9.0509 9.4957 9.4971 10.6412 10.6440 10.8644 10.8686 k = 0.3333 0.2366 0.7914 ( 6413 PWs) bands (ev): -7.6495 -7.6495 -6.9627 -6.9573 -6.9309 -6.9286 -6.9057 -6.9015 -2.8976 -2.8971 0.6032 0.6404 0.6970 0.7282 1.0780 1.0809 2.2233 2.2318 2.5027 2.5392 2.6456 2.7101 2.8863 2.9008 2.9586 2.9608 2.9838 3.0141 3.0194 3.0228 3.0718 3.0854 4.1598 4.1638 4.2393 4.2418 4.3704 4.3795 4.4231 4.4270 4.4382 4.4565 4.4734 4.4734 4.4866 4.5016 4.8346 4.8693 4.9183 4.9273 5.0533 5.0628 5.3464 5.3497 5.7403 5.7474 5.9926 5.9982 6.0547 6.0718 6.2349 6.2402 6.7087 6.7242 8.4163 8.4842 8.9504 9.0080 9.5187 9.5202 10.6249 10.6289 10.9137 10.9187 k = 0.3472 0.2464 0.7793 ( 6413 PWs) bands (ev): -7.6501 -7.6500 -6.9646 -6.9600 -6.9303 -6.9283 -6.9042 -6.9005 -2.8953 -2.8947 0.5971 0.6363 0.6943 0.7262 1.1216 1.1247 2.1821 2.1915 2.4869 2.5204 2.6540 2.7188 2.8892 2.9060 2.9579 2.9592 2.9865 3.0147 3.0198 3.0290 3.0731 3.0892 4.1562 4.1608 4.2430 4.2466 4.3669 4.3771 4.4205 4.4235 4.4381 4.4581 4.4719 4.4752 4.4919 4.5040 4.8180 4.8563 4.9066 4.9170 5.0563 5.0694 5.3796 5.3860 5.7187 5.7261 5.9847 5.9907 6.0807 6.0993 6.2296 6.2352 6.6873 6.7016 8.4319 8.5116 8.9009 8.9688 9.5382 9.5398 10.6067 10.6118 10.9685 10.9746 k = 0.3611 0.2563 0.7672 ( 6416 PWs) bands (ev): -7.6505 -7.6505 -6.9660 -6.9623 -6.9295 -6.9276 -6.9037 -6.9005 -2.8925 -2.8919 0.5907 0.6284 0.6992 0.7283 1.1661 1.1693 2.1396 2.1501 2.4698 2.4997 2.6637 2.7289 2.8898 2.9065 2.9573 2.9579 2.9875 3.0116 3.0227 3.0379 3.0750 3.0931 4.1531 4.1583 4.2464 4.2512 4.3629 4.3737 4.4182 4.4205 4.4378 4.4596 4.4706 4.4764 4.4973 4.5064 4.8019 4.8432 4.8960 4.9077 5.0587 5.0757 5.4115 5.4215 5.6987 5.7063 5.9745 5.9813 6.1077 6.1259 6.2232 6.2292 6.6659 6.6773 8.4490 8.5404 8.8561 8.9346 9.5541 9.5559 10.5868 10.5929 11.0277 11.0352 k = 0.3750 0.2661 0.7551 ( 6420 PWs) bands (ev): -7.6509 -7.6509 -6.9670 -6.9642 -6.9284 -6.9268 -6.9041 -6.9015 -2.8892 -2.8886 0.5848 0.6200 0.7083 0.7336 1.2112 1.2144 2.0963 2.1080 2.4528 2.4793 2.6723 2.7392 2.8891 2.9036 2.9565 2.9571 2.9862 3.0076 3.0276 3.0460 3.0775 3.0970 4.1508 4.1562 4.2493 4.2555 4.3583 4.3695 4.4162 4.4182 4.4374 4.4610 4.4698 4.4771 4.5024 4.5089 4.7869 4.8304 4.8864 4.8996 5.0603 5.0813 5.4413 5.4556 5.6805 5.6880 5.9625 5.9705 6.1340 6.1493 6.2158 6.2223 6.6468 6.6531 8.4667 8.5691 8.8180 8.9069 9.5669 9.5690 10.5653 10.5723 11.0897 11.0995 k = 0.3889 0.2760 0.7430 ( 6422 PWs) bands (ev): -7.6512 -7.6512 -6.9675 -6.9658 -6.9271 -6.9257 -6.9054 -6.9036 -2.8854 -2.8848 0.5802 0.6130 0.7196 0.7411 1.2566 1.2596 2.0524 2.0657 2.4367 2.4604 2.6787 2.7486 2.8878 2.8986 2.9557 2.9565 2.9834 3.0030 3.0328 3.0527 3.0805 3.1010 4.1491 4.1547 4.2518 4.2595 4.3532 4.3645 4.4146 4.4164 4.4366 4.4624 4.4696 4.4774 4.5071 4.5115 4.7731 4.8186 4.8777 4.8926 5.0608 5.0860 5.4686 5.4878 5.6639 5.6713 5.9489 5.9584 6.1576 6.1664 6.2075 6.2153 6.6314 6.6325 8.4839 8.5949 8.7895 8.8867 9.5767 9.5791 10.5424 10.5502 11.1515 11.1651 k = 0.4028 0.2859 0.7309 ( 6417 PWs) bands (ev): -7.6514 -7.6514 -6.9676 -6.9671 -6.9256 -6.9246 -6.9075 -6.9065 -2.8812 -2.8805 0.5772 0.6081 0.7322 0.7504 1.3019 1.3044 2.0086 2.0237 2.4224 2.4437 2.6823 2.7563 2.8866 2.8928 2.9549 2.9561 2.9798 2.9981 3.0371 3.0576 3.0836 3.1048 4.1482 4.1539 4.2539 4.2631 4.3478 4.3590 4.4132 4.4152 4.4354 4.4637 4.4702 4.4772 4.5112 4.5141 4.7607 4.8080 4.8696 4.8866 5.0602 5.0897 5.4931 5.5177 5.6488 5.6560 5.9340 5.9453 6.1732 6.1752 6.1985 6.2093 6.6152 6.6260 8.4996 8.6134 8.7749 8.8750 9.5840 9.5865 10.5184 10.5268 11.2042 11.2215 k = 0.4167 0.2957 0.7188 ( 6412 PWs) bands (ev): -7.6515 -7.6515 -6.9684 -6.9674 -6.9240 -6.9238 -6.9101 -6.9097 -2.8765 -2.8759 0.5762 0.6058 0.7457 0.7610 1.3466 1.3484 1.9652 1.9825 2.4101 2.4294 2.6828 2.7611 2.8858 2.8873 2.9540 2.9557 2.9758 2.9930 3.0399 3.0609 3.0865 3.1084 4.1480 4.1536 4.2556 4.2665 4.3420 4.3531 4.4121 4.4144 4.4339 4.4647 4.4712 4.4768 4.5146 4.5167 4.7500 4.7990 4.8621 4.8816 5.0583 5.0920 5.5148 5.5453 5.6352 5.6420 5.9180 5.9314 6.1687 6.1820 6.1910 6.2034 6.6076 6.6294 8.5130 8.6205 8.7783 8.8722 9.5888 9.5915 10.4932 10.5021 11.2349 11.2491 k = 0.4306 0.3056 0.7068 ( 6412 PWs) bands (ev): -7.6516 -7.6515 -6.9698 -6.9670 -6.9241 -6.9225 -6.9127 -6.9122 -2.8714 -2.8708 0.5774 0.6059 0.7598 0.7726 1.3900 1.3906 1.9230 1.9429 2.4003 2.4178 2.6801 2.7621 2.8829 2.8853 2.9530 2.9554 2.9718 2.9877 3.0410 3.0627 3.0889 3.1117 4.1485 4.1537 4.2569 4.2694 4.3359 4.3471 4.4112 4.4140 4.4321 4.4654 4.4727 4.4762 4.5171 4.5193 4.7409 4.7919 4.8552 4.8775 5.0551 5.0927 5.5337 5.5703 5.6227 5.6292 5.9011 5.9169 6.1564 6.1742 6.1867 6.1938 6.6107 6.6431 8.5241 8.6179 8.7973 8.8779 9.5911 9.5939 10.4672 10.4763 11.2493 11.2625 k = 0.4444 0.3154 0.6947 ( 6414 PWs) bands (ev): -7.6517 -7.6516 -6.9714 -6.9665 -6.9268 -6.9220 -6.9141 -6.9125 -2.8661 -2.8655 0.5807 0.6087 0.7744 0.7851 1.4299 1.4311 1.8829 1.9061 2.3931 2.4091 2.6743 2.7589 2.8801 2.8851 2.9520 2.9550 2.9679 2.9824 3.0403 3.0631 3.0909 3.1147 4.1495 4.1544 4.2578 4.2720 4.3299 4.3412 4.4105 4.4139 4.4301 4.4655 4.4743 4.4757 4.5188 4.5219 4.7337 4.7868 4.8489 4.8743 5.0506 5.0918 5.5497 5.5920 5.6117 5.6173 5.8836 5.9019 6.1386 6.1625 6.1755 6.1802 6.6244 6.6653 8.5333 8.6117 8.8255 8.8912 9.5911 9.5937 10.4404 10.4496 11.2537 11.2679 k = 0.4583 0.3253 0.6826 ( 6418 PWs) bands (ev): -7.6519 -7.6518 -6.9737 -6.9664 -6.9310 -6.9232 -6.9132 -6.9110 -2.8605 -2.8600 0.5861 0.6139 0.7894 0.7986 1.4647 1.4684 1.8466 1.8738 2.3884 2.4031 2.6658 2.7513 2.8788 2.8848 2.9509 2.9544 2.9643 2.9771 3.0380 3.0620 3.0925 3.1175 4.1511 4.1553 4.2584 4.2742 4.3240 4.3355 4.4100 4.4141 4.4279 4.4651 4.4754 4.4757 4.5197 4.5245 4.7282 4.7839 4.8431 4.8720 5.0449 5.0891 5.5627 5.5976 5.6059 5.6140 5.8657 5.8867 6.1164 6.1485 6.1586 6.1648 6.6465 6.6934 8.5411 8.6062 8.8577 8.9104 9.5885 9.5909 10.4134 10.4225 11.2500 11.2659 k = 0.4722 0.3351 0.6705 ( 6419 PWs) bands (ev): -7.6522 -7.6521 -6.9769 -6.9673 -6.9350 -6.9248 -6.9108 -6.9085 -2.8547 -2.8543 0.5936 0.6215 0.8050 0.8129 1.4925 1.4993 1.8166 1.8484 2.3861 2.3996 2.6551 2.7401 2.8784 2.8837 2.9496 2.9535 2.9612 2.9722 3.0344 3.0595 3.0940 3.1199 4.1531 4.1564 4.2588 4.2760 4.3187 4.3302 4.4096 4.4146 4.4255 4.4641 4.4753 4.4767 4.5200 4.5270 4.7246 4.7830 4.8381 4.8706 5.0382 5.0846 5.5723 5.5874 5.5949 5.6284 5.8476 5.8713 6.0916 6.1285 6.1432 6.1500 6.6739 6.7244 8.5481 8.6034 8.8910 8.9340 9.5831 9.5851 10.3865 10.3953 11.2396 11.2575 k = 0.4861 0.3450 0.6584 ( 6422 PWs) bands (ev): -7.6529 -7.6527 -6.9812 -6.9700 -6.9374 -6.9257 -6.9078 -6.9054 -2.8490 -2.8485 0.6030 0.6313 0.8212 0.8282 1.5101 1.5199 1.7966 1.8328 2.3860 2.3983 2.6429 2.7259 2.8776 2.8812 2.9480 2.9518 2.9589 2.9676 3.0301 3.0559 3.0955 3.1219 4.1554 4.1574 4.2590 4.2773 4.3142 4.3253 4.4093 4.4153 4.4230 4.4627 4.4754 4.4770 4.5200 4.5295 4.7228 4.7840 4.8339 4.8701 5.0308 5.0784 5.5761 5.5771 5.5843 5.6386 5.8295 5.8557 6.0668 6.1049 6.1311 6.1366 6.7037 6.7560 8.5548 8.6035 8.9237 8.9604 9.5748 9.5763 10.3604 10.3690 11.2242 11.2443 k = 0.5000 0.3549 0.6463 ( 6416 PWs) bands (ev): -7.6539 -7.6537 -6.9865 -6.9749 -6.9376 -6.9255 -6.9043 -6.9019 -2.8432 -2.8429 0.6141 0.6431 0.8381 0.8447 1.5151 1.5264 1.7905 1.8296 2.3875 2.3986 2.6299 2.7097 2.8757 2.8770 2.9459 2.9493 2.9576 2.9638 3.0256 3.0515 3.0969 3.1236 4.1577 4.1582 4.2592 4.2780 4.3110 4.3211 4.4092 4.4161 4.4205 4.4610 4.4757 4.4765 4.5201 4.5319 4.7227 4.7863 4.8310 4.8706 5.0229 5.0705 5.5641 5.5696 5.5807 5.6427 5.8115 5.8399 6.0453 6.0827 6.1206 6.1252 6.7339 6.7866 8.5611 8.6064 8.9547 8.9882 9.5632 9.5640 10.3361 10.3444 11.2062 11.2283 k = 0.5000 0.3549 0.6463 ( 6416 PWs) bands (ev): -7.6539 -7.6537 -6.9865 -6.9749 -6.9376 -6.9255 -6.9043 -6.9019 -2.8432 -2.8429 0.6141 0.6431 0.8381 0.8447 1.5151 1.5264 1.7905 1.8296 2.3875 2.3986 2.6299 2.7097 2.8757 2.8770 2.9459 2.9493 2.9576 2.9638 3.0256 3.0515 3.0969 3.1236 4.1577 4.1582 4.2592 4.2780 4.3110 4.3211 4.4092 4.4161 4.4205 4.4610 4.4757 4.4765 4.5201 4.5319 4.7227 4.7863 4.8310 4.8706 5.0229 5.0705 5.5641 5.5696 5.5807 5.6427 5.8115 5.8399 6.0453 6.0827 6.1206 6.1252 6.7339 6.7866 8.5611 8.6064 8.9547 8.9882 9.5632 9.5640 10.3361 10.3444 11.2062 11.2283 k = 0.5000 0.3549 0.6248 ( 6436 PWs) bands (ev): -7.6564 -7.6562 -6.9973 -6.9858 -6.9356 -6.9237 -6.8974 -6.8951 -2.8332 -2.8329 0.6365 0.6667 0.8704 0.8764 1.5117 1.5234 1.7936 1.8354 2.3916 2.3989 2.6068 2.6775 2.8676 2.8716 2.9409 2.9442 2.9561 2.9586 3.0178 3.0429 3.0994 3.1261 4.1589 4.1618 4.2595 4.2781 4.3075 4.3140 4.4090 4.4145 4.4183 4.4579 4.4748 4.4761 4.5204 4.5360 4.7244 4.7913 4.8272 4.8723 5.0093 5.0549 5.5397 5.5456 5.5771 5.6432 5.7808 5.8122 6.0115 6.0462 6.1036 6.1070 6.7873 6.8397 8.5696 8.6113 9.0056 9.0363 9.5365 9.5372 10.2975 10.3055 11.1707 11.1964 k = 0.5000 0.3549 0.6032 ( 6434 PWs) bands (ev): -7.6595 -7.6593 -7.0087 -6.9972 -6.9330 -6.9212 -6.8901 -6.8878 -2.8232 -2.8231 0.6613 0.6924 0.9049 0.9100 1.5076 1.5193 1.7974 1.8415 2.3958 2.3966 2.5850 2.6423 2.8590 2.8690 2.9348 2.9391 2.9547 2.9552 3.0102 3.0334 3.1020 3.1284 4.1589 4.1662 4.2599 4.2773 4.3056 4.3073 4.4085 4.4090 4.4193 4.4550 4.4736 4.4766 4.5210 4.5399 4.7272 4.7963 4.8237 4.8743 4.9976 5.0397 5.5114 5.5165 5.5732 5.6429 5.7531 5.7865 5.9785 6.0104 6.0866 6.0890 6.8411 6.8933 8.5741 8.6120 9.0504 9.0786 9.5045 9.5067 10.2653 10.2730 11.1318 11.1615 k = 0.5000 0.3549 0.5817 ( 6432 PWs) bands (ev): -7.6632 -7.6630 -7.0206 -7.0092 -6.9296 -6.9178 -6.8822 -6.8799 -2.8136 -2.8136 0.6885 0.7201 0.9415 0.9455 1.5025 1.5140 1.8017 1.8476 2.3905 2.4000 2.5659 2.6048 2.8513 2.8675 2.9284 2.9343 2.9528 2.9532 3.0031 3.0235 3.1044 3.1302 4.1580 4.1706 4.2605 4.2757 4.3008 4.3051 4.4010 4.4089 4.4204 4.4525 4.4730 4.4775 4.5221 4.5437 4.7314 4.8008 4.8213 4.8765 4.9878 5.0248 5.4793 5.4827 5.5689 5.6415 5.7289 5.7631 5.9468 5.9759 6.0697 6.0711 6.8947 6.9467 8.5740 8.6081 9.0870 9.1129 9.4680 9.4717 10.2404 10.2480 11.0910 11.1249 k = 0.5000 0.3549 0.5601 ( 6420 PWs) bands (ev): -7.6675 -7.6673 -7.0329 -7.0216 -6.9253 -6.9136 -6.8738 -6.8715 -2.8048 -2.8045 0.7182 0.7499 0.9797 0.9825 1.4963 1.5074 1.8067 1.8538 2.3796 2.4042 2.5508 2.5659 2.8445 2.8669 2.9224 2.9299 2.9509 2.9514 2.9968 3.0134 3.1066 3.1318 4.1559 4.1747 4.2611 4.2741 4.2948 4.3057 4.3922 4.4087 4.4212 4.4503 4.4734 4.4787 4.5236 4.5475 4.7369 4.8033 4.8217 4.8790 4.9798 5.0106 5.4440 5.4447 5.5640 5.6389 5.7080 5.7422 5.9170 5.9430 6.0526 6.0532 6.9473 6.9991 8.5694 8.5992 9.1136 9.1372 9.4274 9.4328 10.2235 10.2311 11.0498 11.0882 k = 0.5000 0.3549 0.5386 ( 6426 PWs) bands (ev): -7.6726 -7.6723 -7.0456 -7.0344 -6.9201 -6.9085 -6.8651 -6.8628 -2.7967 -2.7962 0.7501 0.7817 1.0196 1.0208 1.4890 1.4994 1.8122 1.8601 2.3634 2.4081 2.5260 2.5402 2.8389 2.8670 2.9170 2.9258 2.9494 2.9495 2.9919 3.0034 3.1086 3.1331 4.1522 4.1779 4.2619 4.2728 4.2894 4.3066 4.3820 4.4082 4.4216 4.4484 4.4747 4.4803 4.5256 4.5512 4.7441 4.8032 4.8262 4.8819 4.9738 4.9971 5.4037 5.4063 5.5586 5.6347 5.6901 5.7233 5.8894 5.9121 6.0352 6.0355 6.9982 7.0499 8.5601 8.5854 9.1285 9.1496 9.3834 9.3908 10.2150 10.2224 11.0091 11.0523 k = 0.5000 0.3549 0.5171 ( 6426 PWs) bands (ev): -7.6783 -7.6780 -7.0585 -7.0474 -6.9140 -6.9024 -6.8560 -6.8537 -2.7896 -2.7889 0.7845 0.8155 1.0601 1.0606 1.4804 1.4901 1.8182 1.8663 2.3426 2.4114 2.4859 2.5336 2.8343 2.8677 2.9126 2.9219 2.9474 2.9483 2.9885 2.9938 3.1104 3.1340 4.1468 4.1796 4.2627 4.2722 4.2849 4.3078 4.3709 4.4076 4.4215 4.4468 4.4769 4.4823 4.5281 4.5549 4.7531 4.8019 4.8336 4.8851 4.9694 4.9844 5.3608 5.3670 5.5525 5.6288 5.6743 5.7063 5.8646 5.8833 6.0173 6.0183 7.0468 7.0984 8.5465 8.5670 9.1304 9.1484 9.3373 9.3470 10.2148 10.2219 10.9699 11.0181 k = 0.5000 0.3549 0.4955 ( 6430 PWs) bands (ev): -7.6846 -7.6843 -7.0715 -7.0606 -6.9068 -6.8953 -6.8467 -6.8443 -2.7836 -2.7827 0.8211 0.8511 1.1002 1.1027 1.4705 1.4794 1.8247 1.8724 2.3184 2.4125 2.4476 2.5300 2.8310 2.8690 2.9092 2.9180 2.9458 2.9473 2.9851 2.9869 3.1119 3.1345 4.1395 4.1792 4.2635 4.2725 4.2818 4.3090 4.3593 4.4068 4.4208 4.4455 4.4799 4.4847 4.5311 4.5586 4.7641 4.8009 4.8431 4.8888 4.9667 4.9727 5.3170 5.3269 5.5458 5.6210 5.6602 5.6906 5.8427 5.8568 5.9994 6.0010 7.0925 7.1440 8.5291 8.5444 9.1181 9.1322 9.2904 9.3029 10.2223 10.2290 10.9326 10.9861 k = 0.5000 0.3549 0.4740 ( 6430 PWs) bands (ev): -7.6915 -7.6912 -7.0845 -7.0739 -6.8988 -6.8873 -6.8371 -6.8347 -2.7788 -2.7777 0.8599 0.8885 1.1406 1.1455 1.4594 1.4674 1.8316 1.8783 2.2921 2.3969 2.4257 2.5281 2.8289 2.8705 2.9070 2.9139 2.9453 2.9465 2.9777 2.9868 3.1132 3.1347 4.1301 4.1759 4.2641 4.2736 4.2807 4.3101 4.3476 4.4059 4.4196 4.4445 4.4834 4.4874 4.5346 4.5624 4.7771 4.8012 4.8542 4.8929 4.9622 4.9653 5.2730 5.2865 5.5383 5.6113 5.6472 5.6761 5.8240 5.8327 5.9816 5.9838 7.1347 7.1862 8.5086 8.5185 9.0911 9.1012 9.2440 9.2593 10.2368 10.2427 10.8976 10.9564 k = 0.5000 0.3549 0.4524 ( 6420 PWs) bands (ev): -7.6991 -7.6987 -7.0975 -7.0872 -6.8897 -6.8785 -6.8273 -6.8249 -2.7754 -2.7740 0.9009 0.9276 1.1811 1.1887 1.4470 1.4544 1.8388 1.8840 2.2649 2.3607 2.4244 2.5268 2.8279 2.8723 2.9059 2.9099 2.9459 2.9462 2.9719 2.9883 3.1142 3.1347 4.1187 4.1690 4.2643 4.2756 4.2817 4.3113 4.3364 4.4050 4.4178 4.4436 4.4873 4.4902 4.5386 4.5664 4.7923 4.8030 4.8671 4.8974 4.9532 4.9653 5.2296 5.2466 5.5302 5.5995 5.6351 5.6624 5.8084 5.8111 5.9639 5.9667 7.1731 7.2245 8.4857 8.4899 9.0508 9.0573 9.1980 9.2152 10.2569 10.2618 10.8649 10.9289 k = 0.5000 0.3549 0.4309 ( 6416 PWs) bands (ev): -7.7070 -7.7067 -7.1104 -7.1004 -6.8799 -6.8688 -6.8174 -6.8150 -2.7733 -2.7718 0.9439 0.9681 1.2212 1.2320 1.4336 1.4406 1.8461 1.8894 2.2376 2.3227 2.4250 2.5253 2.8281 2.8742 2.9059 2.9061 2.9456 2.9488 2.9679 2.9909 3.1151 3.1342 4.1054 4.1584 4.2640 4.2780 4.2847 4.3125 4.3264 4.4042 4.4154 4.4429 4.4914 4.4930 4.5432 4.5705 4.8067 4.8094 4.8818 4.9023 4.9458 4.9663 5.1872 5.2073 5.5215 5.5861 5.6236 5.6494 5.7919 5.7956 5.9463 5.9497 7.2072 7.2584 8.4597 8.4612 9.0001 9.0042 9.1509 9.1686 10.2813 10.2849 10.8343 10.9033 k = 0.5000 0.3549 0.4093 ( 6440 PWs) bands (ev): -7.7155 -7.7150 -7.1231 -7.1134 -6.8692 -6.8583 -6.8074 -6.8050 -2.7727 -2.7709 0.9887 1.0101 1.2600 1.2748 1.4192 1.4266 1.8534 1.8944 2.2110 2.2855 2.4250 2.5228 2.8293 2.8761 2.9028 2.9069 2.9459 2.9528 2.9659 2.9946 3.1157 3.1335 4.0901 4.1440 4.2635 4.2808 4.2889 4.3138 4.3180 4.4034 4.4124 4.4422 4.4954 4.4956 4.5481 4.5748 4.8125 4.8282 4.8983 4.9072 4.9406 4.9682 5.1464 5.1691 5.5123 5.5715 5.6126 5.6369 5.7750 5.7853 5.9289 5.9329 7.2367 7.2876 8.4284 8.4358 8.9426 8.9450 9.1008 9.1180 10.3084 10.3103 10.8055 10.8791 k = 0.5000 0.3549 0.3878 ( 6446 PWs) bands (ev): -7.7242 -7.7238 -7.1355 -7.1262 -6.8579 -6.8472 -6.7975 -6.7950 -2.7734 -2.7715 1.0352 1.0531 1.2962 1.3164 1.4047 1.4138 1.8605 1.8990 2.1855 2.2498 2.4239 2.5190 2.8317 2.8782 2.9004 2.9089 2.9471 2.9583 2.9656 2.9993 3.1161 3.1324 4.0730 4.1262 4.2627 4.2838 4.2935 4.3121 4.3154 4.4029 4.4089 4.4416 4.4978 4.4993 4.5533 4.5794 4.8204 4.8477 4.9116 4.9167 4.9388 4.9708 5.1080 5.1325 5.5029 5.5563 5.6018 5.6248 5.7602 5.7771 5.9118 5.9164 7.2615 7.3120 8.3968 8.4101 8.8811 8.8822 9.0467 9.0625 10.3363 10.3364 10.7784 10.8558 k = 0.5000 0.3549 0.3662 ( 6436 PWs) bands (ev): -7.7331 -7.7327 -7.1476 -7.1387 -6.8460 -6.8355 -6.7876 -6.7851 -2.7755 -2.7734 1.0832 1.0972 1.3254 1.3523 1.3943 1.4066 1.8673 1.9030 2.1617 2.2159 2.4216 2.5134 2.8352 2.8805 2.8990 2.9117 2.9496 2.9650 2.9669 3.0049 3.1163 3.1310 4.0542 4.1054 4.2619 4.2868 4.2973 4.3097 4.3173 4.4026 4.4050 4.4411 4.4997 4.5031 4.5586 4.5841 4.8307 4.8667 4.9141 4.9369 4.9421 4.9738 5.0731 5.0979 5.4935 5.5408 5.5914 5.6130 5.7474 5.7705 5.8949 5.9002 7.2817 7.3315 8.3655 8.3845 8.8175 8.8175 8.9883 9.0022 10.3611 10.3631 10.7528 10.8326 k = 0.5000 0.3549 0.3447 ( 6444 PWs) bands (ev): -7.7422 -7.7418 -7.1593 -7.1508 -6.8336 -6.8235 -6.7778 -6.7753 -2.7789 -2.7766 1.1324 1.1420 1.3376 1.3591 1.4112 1.4149 1.8736 1.9066 2.1398 2.1843 2.4179 2.5057 2.8398 2.8832 2.8987 2.9152 2.9534 2.9695 2.9726 3.0112 3.1164 3.1293 4.0339 4.0821 4.2611 4.2896 4.2986 4.3117 4.3195 4.4008 4.4026 4.4406 4.5011 4.5065 4.5639 4.5888 4.8430 4.8826 4.9139 4.9515 4.9577 4.9769 5.0440 5.0665 5.4844 5.5257 5.5812 5.6014 5.7362 5.7651 5.8783 5.8843 7.2973 7.3463 8.3347 8.3595 8.7523 8.7533 8.9260 8.9374 10.3824 10.3863 10.7291 10.8082 k = 0.5000 0.3549 0.3232 ( 6442 PWs) bands (ev): -7.7513 -7.7509 -7.1706 -7.1625 -6.8209 -6.8111 -6.7682 -6.7658 -2.7834 -2.7810 1.1824 1.1872 1.3318 1.3450 1.4398 1.4471 1.8792 1.9097 2.1200 2.1551 2.4126 2.4959 2.8454 2.8863 2.8993 2.9193 2.9585 2.9733 2.9810 3.0181 3.1164 3.1274 4.0123 4.0566 4.2606 4.2924 4.2989 4.3164 4.3219 4.3965 4.4030 4.4405 4.5018 4.5097 4.5691 4.5935 4.8573 4.8917 4.9115 4.9654 4.9691 4.9868 5.0255 5.0419 5.4758 5.5112 5.5713 5.5900 5.7266 5.7607 5.8622 5.8689 7.3087 7.3565 8.3046 8.3352 8.6873 8.6896 8.8603 8.8689 10.3981 10.4032 10.7074 10.7487 k = 0.5000 0.3549 0.3016 ( 6446 PWs) bands (ev): -7.7604 -7.7599 -7.1813 -7.1738 -6.8081 -6.7986 -6.7589 -6.7564 -2.7889 -2.7865 1.2322 1.2324 1.3193 1.3282 1.4708 1.4839 1.8836 1.9126 2.1026 2.1287 2.4058 2.4840 2.8520 2.8902 2.9007 2.9238 2.9645 2.9785 2.9900 3.0254 3.1163 3.1252 3.9896 4.0296 4.2608 4.2950 4.2997 4.3217 4.3245 4.3921 4.4035 4.4407 4.5019 4.5127 4.5739 4.5981 4.8728 4.8858 4.9128 4.9604 4.9786 5.0058 5.0246 5.0322 5.4681 5.4978 5.5616 5.5789 5.7181 5.7567 5.8465 5.8540 7.3163 7.3625 8.2753 8.3117 8.6235 8.6274 8.7923 8.7977 10.4061 10.4109 10.6705 10.6845 k = 0.5000 0.3549 0.2801 ( 6452 PWs) bands (ev): -7.7692 -7.7688 -7.1916 -7.1845 -6.7952 -6.7862 -6.7498 -6.7474 -2.7953 -2.7928 1.2752 1.2759 1.3116 1.3122 1.5027 1.5191 1.8867 1.9154 2.0877 2.1055 2.3975 2.4699 2.8594 2.8947 2.9028 2.9285 2.9712 2.9849 2.9994 3.0331 3.1162 3.1228 3.9661 4.0015 4.2618 4.2976 4.3011 4.3271 4.3271 4.3878 4.4044 4.4414 4.5012 4.5154 4.5783 4.6022 4.8661 4.8877 4.9190 4.9424 4.9879 5.0152 5.0421 5.0470 5.4616 5.4857 5.5522 5.5681 5.7106 5.7531 5.8315 5.8397 7.3205 7.3649 8.2465 8.2889 8.5613 8.5673 8.7227 8.7246 10.4051 10.4075 10.6063 10.6166 k = 0.5000 0.3549 0.2585 ( 6442 PWs) bands (ev): -7.7778 -7.7774 -7.2012 -7.1947 -6.7825 -6.7739 -6.7411 -6.7388 -2.8023 -2.7998 1.2774 1.2881 1.3273 1.3438 1.5339 1.5516 1.8882 1.9185 2.0752 2.0859 2.3876 2.4539 2.8674 2.8999 2.9054 2.9333 2.9783 2.9925 3.0090 3.0408 3.1161 3.1202 3.9420 3.9729 4.2640 4.3001 4.3032 4.3297 4.3321 4.3838 4.4054 4.4430 4.4997 4.5180 4.5823 4.6059 4.8405 4.8914 4.9268 4.9318 4.9971 5.0207 5.0689 5.0732 5.4564 5.4753 5.5430 5.5575 5.7039 5.7496 5.8172 5.8262 7.3219 7.3640 8.2180 8.2667 8.5012 8.5101 8.6509 8.6528 10.3933 10.3944 10.5438 10.5528 k = 0.5000 0.3549 0.2370 ( 6458 PWs) bands (ev): -7.7860 -7.7856 -7.2102 -7.2042 -6.7701 -6.7620 -6.7329 -6.7306 -2.8098 -2.8073 1.2628 1.2721 1.3700 1.3923 1.5641 1.5809 1.8877 1.9226 2.0648 2.0701 2.3764 2.4360 2.8757 2.9054 2.9085 2.9380 2.9857 3.0011 3.0186 3.0484 3.1159 3.1175 3.9176 3.9440 4.2674 4.3025 4.3057 4.3321 4.3367 4.3802 4.4062 4.4456 4.4973 4.5205 4.5858 4.6089 4.8127 4.8727 4.9358 4.9431 5.0078 5.0268 5.0991 5.1018 5.4528 5.4667 5.5342 5.5473 5.6978 5.7457 5.8039 5.8134 7.3211 7.3606 8.1894 8.2448 8.4437 8.4564 8.5780 8.5837 10.3704 10.3751 10.4851 10.4932 k = 0.5000 0.3549 0.2154 ( 6458 PWs) bands (ev): -7.7939 -7.7935 -7.2185 -7.2130 -6.7582 -6.7505 -6.7251 -6.7228 -2.8176 -2.8152 1.2470 1.2553 1.4132 1.4409 1.5930 1.6065 1.8852 1.9283 2.0563 2.0582 2.3638 2.4164 2.8842 2.9102 2.9131 2.9424 2.9935 3.0102 3.0280 3.0557 3.1147 3.1159 3.8933 3.9155 4.2721 4.3048 4.3086 4.3343 4.3406 4.3773 4.4069 4.4496 4.4939 4.5231 4.5888 4.6114 4.7846 4.8468 4.9459 4.9621 5.0198 5.0335 5.1305 5.1311 5.4509 5.4602 5.5257 5.5375 5.6921 5.7413 5.7920 5.8017 7.3185 7.3552 8.1605 8.2227 8.3892 8.4069 8.5074 8.5166 10.3420 10.3493 10.4309 10.4381 k = 0.5000 0.3549 0.1939 ( 6452 PWs) bands (ev): -7.8011 -7.8008 -7.2262 -7.2212 -6.7468 -6.7397 -6.7178 -6.7156 -2.8254 -2.8231 1.2317 1.2392 1.4554 1.4875 1.6211 1.6279 1.8811 1.9361 2.0494 2.0501 2.3500 2.3953 2.8926 2.9140 2.9191 2.9465 3.0014 3.0196 3.0372 3.0627 3.1119 3.1160 3.8695 3.8877 4.2782 4.3071 4.3117 4.3364 4.3436 4.3754 4.4073 4.4549 4.4898 4.5257 4.5914 4.6132 4.7570 4.8197 4.9568 4.9824 5.0325 5.0401 5.1603 5.1619 5.4509 5.4560 5.5176 5.5281 5.6869 5.7359 5.7818 5.7911 7.3147 7.3483 8.1309 8.1998 8.3381 8.3620 8.4410 8.4528 10.3108 10.3195 10.3813 10.3877 k = 0.5000 0.3549 0.1724 ( 6456 PWs) bands (ev): -7.8078 -7.8075 -7.2330 -7.2286 -6.7363 -6.7297 -6.7111 -6.7090 -2.8330 -2.8309 1.2172 1.2240 1.4959 1.5301 1.6449 1.6490 1.8759 1.9464 2.0435 2.0452 2.3353 2.3729 2.9007 2.9176 2.9254 2.9500 3.0096 3.0290 3.0459 3.0689 3.1092 3.1161 3.8466 3.8612 4.2856 4.3091 4.3147 4.3382 4.3457 4.3747 4.4074 4.4612 4.4851 4.5285 4.5936 4.6145 4.7303 4.7927 4.9682 5.0026 5.0453 5.0463 5.1890 5.1925 5.4524 5.4541 5.5099 5.5192 5.6821 5.7293 5.7735 5.7816 7.3102 7.3404 8.1006 8.1745 8.2917 8.3221 8.3806 8.3936 10.2791 10.2882 10.3364 10.3421 k = 0.5000 0.3549 0.1508 ( 6454 PWs) bands (ev): -7.8139 -7.8136 -7.2391 -7.2353 -6.7266 -6.7207 -6.7049 -6.7029 -2.8403 -2.8383 1.2040 1.2100 1.5345 1.5671 1.6577 1.6773 1.8708 1.9590 2.0382 2.0429 2.3196 2.3496 2.9083 2.9212 2.9314 2.9529 3.0178 3.0381 3.0538 3.0741 3.1068 3.1163 3.8251 3.8365 4.2942 4.3110 4.3177 4.3399 4.3467 4.3753 4.4071 4.4659 4.4825 4.5316 4.5953 4.6154 4.7050 4.7662 4.9800 5.0218 5.0517 5.0577 5.2165 5.2217 5.4543 5.4555 5.5027 5.5109 5.6777 5.7217 5.7671 5.7734 7.3054 7.3320 8.0698 8.1448 8.2520 8.2874 8.3279 8.3400 10.2485 10.2571 10.2966 10.3015 k = 0.5000 0.3549 0.1293 ( 6454 PWs) bands (ev): -7.8193 -7.8190 -7.2444 -7.2411 -6.7180 -6.7128 -6.6993 -6.6975 -2.8470 -2.8452 1.1922 1.1974 1.5708 1.5971 1.6667 1.7058 1.8674 1.9737 2.0332 2.0426 2.3034 2.3256 2.9153 2.9248 2.9370 2.9552 3.0260 3.0466 3.0610 3.0780 3.1052 3.1164 3.8052 3.8139 4.3036 4.3127 4.3207 4.3413 4.3471 4.3771 4.4065 4.4630 4.4878 4.5352 4.5966 4.6160 4.6813 4.7405 4.9917 5.0396 5.0559 5.0693 5.2424 5.2488 5.4565 5.4596 5.4961 5.5033 5.6738 5.7134 5.7622 5.7665 7.3006 7.3234 8.0394 8.1098 8.2209 8.2578 8.2837 8.2929 10.2203 10.2279 10.2619 10.2661 k = 0.5000 0.3549 0.1077 ( 6446 PWs) bands (ev): -7.8239 -7.8236 -7.2489 -7.2461 -6.7105 -6.7061 -6.6943 -6.6928 -2.8530 -2.8515 1.1820 1.1864 1.6046 1.6201 1.6725 1.7314 1.8683 1.9894 2.0280 2.0437 2.2869 2.3016 2.9216 2.9282 2.9419 2.9567 3.0340 3.0544 3.0671 3.0802 3.1045 3.1165 3.7875 3.7939 4.3127 4.3142 4.3246 4.3426 4.3474 4.3797 4.4055 4.4549 4.4987 4.5392 4.5975 4.6164 4.6595 4.7157 5.0030 5.0554 5.0587 5.0794 5.2661 5.2732 5.4600 5.4642 5.4902 5.4965 5.6707 5.7049 5.7585 5.7610 7.2962 7.3152 8.0107 8.0715 8.1979 8.2333 8.2478 8.2529 10.1953 10.2016 10.2324 10.2359 k = 0.5000 0.3549 0.0862 ( 6438 PWs) bands (ev): -7.8277 -7.8275 -7.2526 -7.2503 -6.7043 -6.7008 -6.6900 -6.6888 -2.8581 -2.8568 1.1736 1.1771 1.6356 1.6372 1.6758 1.7493 1.8771 2.0044 2.0228 2.0457 2.2706 2.2785 2.9270 2.9314 2.9461 2.9575 3.0417 3.0614 3.0720 3.0803 3.1052 3.1164 3.7724 3.7770 4.3155 4.3181 4.3318 4.3436 4.3484 4.3828 4.4042 4.4444 4.5118 4.5440 4.5978 4.6168 4.6398 4.6921 5.0139 5.0598 5.0690 5.0878 5.2871 5.2943 5.4642 5.4687 5.4852 5.4905 5.6684 5.6967 5.7557 5.7567 7.2924 7.3076 7.9851 8.0340 8.1810 8.2134 8.2199 8.2200 10.1741 10.1791 10.2082 10.2110 k = 0.5000 0.3549 0.0646 ( 6422 PWs) bands (ev): -7.8307 -7.8305 -7.2554 -7.2537 -6.6994 -6.6968 -6.6864 -6.6856 -2.8621 -2.8612 1.1670 1.1697 1.6499 1.6632 1.6774 1.7560 1.8951 2.0092 2.0250 2.0480 2.2552 2.2577 2.9316 2.9343 2.9494 2.9577 3.0489 3.0673 3.0755 3.0788 3.1068 3.1161 3.7603 3.7633 4.3167 4.3200 4.3401 4.3444 4.3525 4.3861 4.4026 4.4325 4.5262 4.5495 4.5973 4.6174 4.6224 4.6702 5.0239 5.0593 5.0802 5.0941 5.3048 5.3112 5.4686 5.4726 5.4813 5.4855 5.6673 5.6891 5.7535 5.7537 7.2896 7.3009 7.9644 8.0007 8.1687 8.1941 8.1980 8.1996 10.1573 10.1609 10.1894 10.1914 k = 0.5000 0.3549 0.0431 ( 6424 PWs) bands (ev): -7.8328 -7.8328 -7.2573 -7.2562 -6.6958 -6.6941 -6.6837 -6.6832 -2.8650 -2.8644 1.1624 1.1642 1.6592 1.6756 1.6895 1.7530 1.9191 2.0001 2.0361 2.0501 2.2411 2.2417 2.9350 2.9365 2.9520 2.9573 3.0555 3.0721 3.0752 3.0782 3.1089 3.1154 3.7515 3.7533 4.3178 4.3204 4.3437 4.3450 4.3629 4.3894 4.4006 4.4193 4.5410 4.5556 4.5954 4.6073 4.6187 4.6509 5.0331 5.0571 5.0890 5.0981 5.3185 5.3235 5.4724 5.4752 5.4788 5.4815 5.6674 5.6823 5.7517 5.7518 7.2879 7.2954 7.9500 7.9739 8.1602 8.1752 8.1862 8.1868 10.1452 10.1475 10.1760 10.1773 k = 0.5000 0.3549 0.0215 ( 6420 PWs) bands (ev): -7.8341 -7.8341 -7.2583 -7.2578 -6.6936 -6.6927 -6.6820 -6.6818 -2.8668 -2.8664 1.1598 1.1607 1.6660 1.6741 1.7107 1.7433 1.9443 1.9859 2.0449 2.0511 2.2306 2.2319 2.9372 2.9379 2.9539 2.9565 3.0616 3.0715 3.0757 3.0787 3.1109 3.1143 3.7462 3.7471 4.3187 4.3202 4.3448 4.3453 4.3765 4.3926 4.3982 4.4053 4.5547 4.5614 4.5919 4.5956 4.6210 4.6357 5.0411 5.0532 5.0951 5.0997 5.3278 5.3304 5.4753 5.4762 5.4779 5.4788 5.6691 5.6766 5.7506 5.7508 7.2875 7.2913 7.9432 7.9551 8.1559 8.1628 8.1790 8.1798 10.1380 10.1391 10.1680 10.1687 k = 0.5000 0.3549 0.0000 ( 6432 PWs) bands (ev): -7.8346 -7.8346 -7.2585 -7.2585 -6.6925 -6.6925 -6.6813 -6.6813 -2.8672 -2.8672 1.1592 1.1592 1.6709 1.6709 1.7289 1.7289 1.9671 1.9671 2.0498 2.0498 2.2277 2.2277 2.9382 2.9382 2.9554 2.9554 3.0669 3.0669 3.0779 3.0779 3.1128 3.1128 3.7447 3.7447 4.3196 4.3196 4.3452 4.3452 4.3909 4.3909 4.3955 4.3955 4.5629 4.5629 4.5898 4.5898 4.6260 4.6260 5.0478 5.0478 5.0987 5.0987 5.3318 5.3318 5.4764 5.4764 5.4776 5.4776 5.6721 5.6721 5.7503 5.7503 7.2886 7.2886 7.9448 7.9448 8.1565 8.1565 8.1771 8.1771 10.1359 10.1359 10.1656 10.1656 k = 0.0000 0.0000 0.8639 ( 6424 PWs) bands (ev): -7.6469 -7.6469 -6.9480 -6.9480 -6.9322 -6.9322 -6.9132 -6.9132 -2.9062 -2.9062 0.5189 0.5189 0.6756 0.6756 1.5281 1.5281 1.7878 1.7878 2.3713 2.3713 2.7957 2.7957 2.9573 2.9573 2.9608 2.9608 3.0088 3.0088 3.0751 3.0751 3.0913 3.0913 4.1421 4.1421 4.2619 4.2619 4.3668 4.3668 4.4128 4.4128 4.4536 4.4536 4.4872 4.4872 4.5050 4.5050 4.7438 4.7438 4.8559 4.8559 5.1641 5.1641 5.6127 5.6127 5.6510 5.6510 6.0250 6.0250 6.2348 6.2348 6.3302 6.3302 6.4301 6.4301 8.4199 8.4199 8.6332 8.6332 9.6534 9.6534 10.7147 10.7147 11.1245 11.1245 k = 0.0179 0.0127 0.8639 ( 6424 PWs) bands (ev): -7.6469 -7.6469 -6.9479 -6.9479 -6.9322 -6.9322 -6.9132 -6.9132 -2.9062 -2.9062 0.5206 0.5206 0.6750 0.6750 1.5130 1.5130 1.8028 1.8028 2.3737 2.3737 2.7941 2.7941 2.9575 2.9575 2.9607 2.9607 3.0090 3.0090 3.0750 3.0750 3.0899 3.0899 4.1424 4.1424 4.2616 4.2616 4.3669 4.3669 4.4130 4.4130 4.4535 4.4535 4.4871 4.4871 4.5045 4.5045 4.7454 4.7454 4.8566 4.8566 5.1632 5.1632 5.6067 5.6067 5.6523 5.6523 6.0249 6.0249 6.2354 6.2354 6.3279 6.3279 6.4341 6.4341 8.4213 8.4213 8.6366 8.6366 9.6524 9.6524 10.7140 10.7140 11.1201 11.1201 k = 0.0357 0.0253 0.8639 ( 6408 PWs) bands (ev): -7.6468 -7.6468 -6.9478 -6.9478 -6.9321 -6.9321 -6.9134 -6.9134 -2.9061 -2.9061 0.5255 0.5255 0.6733 0.6733 1.4753 1.4753 1.8404 1.8404 2.3809 2.3809 2.7892 2.7892 2.9578 2.9578 2.9605 2.9605 3.0095 3.0095 3.0743 3.0743 3.0860 3.0860 4.1434 4.1434 4.2606 4.2606 4.3674 4.3674 4.4136 4.4136 4.4533 4.4533 4.4869 4.4869 4.5033 4.5033 4.7501 4.7501 4.8589 4.8589 5.1604 5.1604 5.5894 5.5894 5.6562 5.6562 6.0247 6.0247 6.2367 6.2367 6.3198 6.3198 6.4468 6.4468 8.4249 8.4249 8.6472 8.6472 9.6493 9.6493 10.7118 10.7118 11.1072 11.1072 k = 0.0536 0.0380 0.8639 ( 6410 PWs) bands (ev): -7.6468 -7.6468 -6.9475 -6.9475 -6.9321 -6.9321 -6.9138 -6.9138 -2.9059 -2.9059 0.5337 0.5337 0.6705 0.6705 1.4261 1.4261 1.8893 1.8893 2.3926 2.3926 2.7813 2.7813 2.9582 2.9582 2.9601 2.9601 3.0102 3.0102 3.0719 3.0719 3.0808 3.0808 4.1448 4.1448 4.2590 4.2590 4.3681 4.3681 4.4146 4.4146 4.4529 4.4529 4.4867 4.4867 4.5012 4.5012 4.7576 4.7576 4.8627 4.8627 5.1558 5.1558 5.5626 5.5626 5.6625 5.6625 6.0244 6.0244 6.2383 6.2383 6.3044 6.3044 6.4690 6.4690 8.4290 8.4290 8.6661 8.6661 9.6438 9.6438 10.7084 10.7084 11.0864 11.0864 k = 0.0714 0.0507 0.8639 ( 6402 PWs) bands (ev): -7.6468 -7.6468 -6.9472 -6.9472 -6.9320 -6.9320 -6.9143 -6.9143 -2.9056 -2.9056 0.5450 0.5450 0.6669 0.6669 1.3718 1.3718 1.9431 1.9431 2.4085 2.4085 2.7705 2.7705 2.9579 2.9579 2.9599 2.9599 3.0111 3.0111 3.0650 3.0650 3.0775 3.0775 4.1469 4.1469 4.2567 4.2567 4.3691 4.3691 4.4159 4.4159 4.4524 4.4524 4.4864 4.4864 4.4986 4.4986 4.7679 4.7679 4.8681 4.8681 5.1494 5.1494 5.5288 5.5288 5.6713 5.6713 6.0240 6.0240 6.2396 6.2396 6.2818 6.2818 6.4994 6.4994 8.4318 8.4318 8.6944 8.6944 9.6358 9.6358 10.7039 10.7039 11.0584 11.0584 k = 0.0893 0.0634 0.8639 ( 6402 PWs) bands (ev): -7.6468 -7.6468 -6.9468 -6.9468 -6.9318 -6.9318 -6.9149 -6.9149 -2.9053 -2.9053 0.5593 0.5593 0.6630 0.6630 1.3154 1.3154 1.9989 1.9989 2.4281 2.4281 2.7571 2.7571 2.9562 2.9562 2.9604 2.9604 3.0118 3.0118 3.0541 3.0541 3.0762 3.0762 4.1495 4.1495 4.2538 4.2538 4.3704 4.3704 4.4176 4.4176 4.4517 4.4517 4.4860 4.4860 4.4955 4.4955 4.7805 4.7805 4.8750 4.8750 5.1413 5.1413 5.4903 5.4903 5.6826 5.6826 6.0234 6.0234 6.2381 6.2381 6.2555 6.2555 6.5355 6.5355 8.4322 8.4322 8.7322 8.7322 9.6248 9.6248 10.6987 10.6987 11.0245 11.0245 k = 0.1071 0.0760 0.8639 ( 6402 PWs) bands (ev): -7.6468 -7.6468 -6.9463 -6.9463 -6.9316 -6.9316 -6.9157 -6.9157 -2.9049 -2.9049 0.5761 0.5761 0.6593 0.6593 1.2584 1.2584 2.0549 2.0549 2.4508 2.4508 2.7415 2.7415 2.9528 2.9528 2.9610 2.9610 3.0117 3.0117 3.0420 3.0420 3.0754 3.0754 4.1526 4.1526 4.2503 4.2503 4.3719 4.3719 4.4196 4.4196 4.4508 4.4508 4.4854 4.4854 4.4923 4.4923 4.7952 4.7952 4.8837 4.8837 5.1315 5.1315 5.4489 5.4489 5.6963 5.6963 6.0227 6.0227 6.2148 6.2148 6.2459 6.2459 6.5747 6.5747 8.4297 8.4297 8.7789 8.7789 9.6103 9.6103 10.6931 10.6931 10.9862 10.9862 k = 0.1250 0.0887 0.8639 ( 6418 PWs) bands (ev): -7.6467 -7.6467 -6.9458 -6.9458 -6.9313 -6.9313 -6.9165 -6.9165 -2.9045 -2.9045 0.5945 0.5945 0.6570 0.6570 1.2017 1.2017 2.1102 2.1102 2.4755 2.4755 2.7243 2.7243 2.9467 2.9467 2.9616 2.9616 3.0093 3.0093 3.0318 3.0318 3.0747 3.0747 4.1561 4.1561 4.2463 4.2463 4.3735 4.3735 4.4219 4.4219 4.4497 4.4497 4.4842 4.4842 4.4896 4.4896 4.8115 4.8115 4.8941 4.8941 5.1201 5.1201 5.4065 5.4065 5.7125 5.7125 6.0219 6.0219 6.1783 6.1783 6.2459 6.2459 6.6148 6.6148 8.4248 8.4248 8.8330 8.8330 9.5919 9.5919 10.6876 10.6876 10.9453 10.9453 k = 0.1429 0.1014 0.8639 ( 6422 PWs) bands (ev): -7.6467 -7.6467 -6.9453 -6.9453 -6.9310 -6.9310 -6.9175 -6.9175 -2.9042 -2.9042 0.6114 0.6114 0.6594 0.6594 1.1459 1.1459 2.1642 2.1642 2.5007 2.5007 2.7065 2.7065 2.9365 2.9365 2.9623 2.9623 3.0030 3.0030 3.0269 3.0269 3.0741 3.0741 4.1600 4.1600 4.2418 4.2418 4.3752 4.3752 4.4246 4.4246 4.4487 4.4487 4.4814 4.4814 4.4883 4.4883 4.8290 4.8290 4.9062 4.9062 5.1074 5.1074 5.3644 5.3644 5.7312 5.7312 6.0209 6.0209 6.1389 6.1389 6.2466 6.2466 6.6536 6.6536 8.4182 8.4182 8.8928 8.8928 9.5689 9.5689 10.6827 10.6827 10.9036 10.9036 k = 0.1607 0.1141 0.8639 ( 6426 PWs) bands (ev): -7.6467 -7.6467 -6.9448 -6.9448 -6.9305 -6.9305 -6.9185 -6.9185 -2.9038 -2.9038 0.6209 0.6209 0.6726 0.6726 1.0913 1.0913 2.2163 2.2163 2.5239 2.5239 2.6903 2.6903 2.9210 2.9210 2.9628 2.9628 2.9958 2.9958 3.0259 3.0259 3.0735 3.0735 4.1641 4.1641 4.2371 4.2371 4.3769 4.3769 4.4275 4.4275 4.4477 4.4477 4.4774 4.4774 4.4880 4.4880 4.8472 4.8472 4.9199 4.9199 5.0935 5.0935 5.3239 5.3239 5.7525 5.7525 6.0194 6.0194 6.0986 6.0986 6.2472 6.2472 6.6895 6.6895 8.4107 8.4107 8.9564 8.9564 9.5409 9.5409 10.6790 10.6790 10.8630 10.8630 k = 0.1786 0.1267 0.8639 ( 6422 PWs) bands (ev): -7.6467 -7.6467 -6.9443 -6.9443 -6.9300 -6.9300 -6.9195 -6.9195 -2.9035 -2.9035 0.6228 0.6228 0.6971 0.6971 1.0384 1.0384 2.2657 2.2657 2.5402 2.5402 2.6799 2.6799 2.9005 2.9005 2.9633 2.9633 2.9903 2.9903 3.0263 3.0263 3.0730 3.0730 4.1683 4.1683 4.2323 4.2323 4.3784 4.3784 4.4307 4.4307 4.4469 4.4469 4.4731 4.4731 4.4881 4.4881 4.8653 4.8653 4.9349 4.9349 5.0787 5.0787 5.2865 5.2865 5.7763 5.7763 6.0164 6.0164 6.0598 6.0598 6.2478 6.2478 6.7211 6.7211 8.4031 8.4031 9.0218 9.0218 9.5078 9.5078 10.6770 10.6770 10.8251 10.8251 k = 0.1964 0.1394 0.8639 ( 6424 PWs) bands (ev): -7.6467 -7.6467 -6.9439 -6.9439 -6.9294 -6.9294 -6.9206 -6.9206 -2.9032 -2.9032 0.6217 0.6217 0.7281 0.7281 0.9874 0.9874 2.3118 2.3118 2.5435 2.5435 2.6809 2.6809 2.8767 2.8767 2.9637 2.9637 2.9868 2.9868 3.0270 3.0270 3.0726 3.0726 4.1724 4.1724 4.2277 4.2277 4.3797 4.3797 4.4339 4.4339 4.4464 4.4464 4.4686 4.4686 4.4883 4.4883 4.8822 4.8822 4.9509 4.9509 5.0635 5.0635 5.2535 5.2535 5.8027 5.8027 6.0028 6.0028 6.0320 6.0320 6.2482 6.2482 6.7471 6.7471 8.3963 8.3963 9.0869 9.0869 9.4698 9.4698 10.6773 10.6773 10.7916 10.7916 k = 0.2143 0.1521 0.8639 ( 6428 PWs) bands (ev): -7.6466 -7.6466 -6.9436 -6.9436 -6.9287 -6.9287 -6.9216 -6.9216 -2.9030 -2.9030 0.6201 0.6201 0.7631 0.7631 0.9386 0.9386 2.3528 2.3528 2.5330 2.5330 2.6935 2.6935 2.8522 2.8522 2.9640 2.9640 2.9847 2.9847 3.0277 3.0277 3.0723 3.0723 4.1760 4.1760 4.2237 4.2237 4.3807 4.3807 4.4367 4.4367 4.4467 4.4467 4.4641 4.4641 4.4885 4.4885 4.8964 4.8964 4.9670 4.9670 5.0485 5.0485 5.2271 5.2271 5.8315 5.8315 5.9699 5.9699 6.0250 6.0250 6.2486 6.2486 6.7664 6.7664 8.3908 8.3908 9.1486 9.1486 9.4284 9.4284 10.6798 10.6798 10.7640 10.7640 k = 0.2321 0.1648 0.8639 ( 6436 PWs) bands (ev): -7.6466 -7.6466 -6.9434 -6.9434 -6.9280 -6.9280 -6.9226 -6.9226 -2.9029 -2.9029 0.6190 0.6190 0.8007 0.8007 0.8930 0.8930 2.3850 2.3850 2.5168 2.5168 2.7096 2.7096 2.8314 2.8314 2.9641 2.9641 2.9835 2.9835 3.0282 3.0282 3.0720 3.0720 4.1786 4.1786 4.2208 4.2208 4.3812 4.3812 4.4384 4.4384 4.4480 4.4480 4.4603 4.4603 4.4886 4.4886 4.9062 4.9062 4.9811 4.9811 5.0353 5.0353 5.2096 5.2096 5.8627 5.8627 5.9335 5.9335 6.0234 6.0234 6.2487 6.2487 6.7784 6.7784 8.3873 8.3873 9.2007 9.2007 9.3890 9.3890 10.6839 10.6839 10.7445 10.7445 k = 0.2500 0.1774 0.8639 ( 6440 PWs) bands (ev): -7.6466 -7.6466 -6.9432 -6.9432 -6.9273 -6.9273 -6.9234 -6.9234 -2.9029 -2.9029 0.6186 0.6186 0.8300 0.8300 0.8610 0.8610 2.3985 2.3985 2.5081 2.5081 2.7173 2.7173 2.8225 2.8225 2.9641 2.9641 2.9832 2.9832 3.0283 3.0283 3.0720 3.0720 4.1796 4.1796 4.2197 4.2197 4.3814 4.3814 4.4389 4.4389 4.4493 4.4493 4.4582 4.4582 4.4886 4.4886 4.9097 4.9097 4.9879 4.9879 5.0289 5.0289 5.2034 5.2034 5.8917 5.8917 5.9025 5.9025 6.0230 6.0230 6.2488 6.2488 6.7824 6.7824 8.3861 8.3861 9.2248 9.2248 9.3693 9.3693 10.6861 10.6861 10.7371 10.7371 Writing output data file Cu3SbSe4.save init_run : 3.13s CPU 13.15s WALL ( 1 calls) electrons : 1336.47s CPU 1350.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.39s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 1336.44s CPU 1350.37s WALL ( 1 calls) v_of_rho : 0.08s CPU 1.02s WALL ( 1 calls) v_h : 0.00s CPU 0.07s WALL ( 1 calls) v_xc : 0.07s CPU 0.63s WALL ( 1 calls) newd : 0.41s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.19s WALL ( 272 calls) cegterg : 1251.49s CPU 1261.64s WALL ( 553 calls) Called by sum_band: Called by *egterg: h_psi : 646.51s CPU 653.62s WALL ( 8910 calls) s_psi : 43.05s CPU 43.30s WALL ( 8910 calls) g_psi : 1.13s CPU 1.15s WALL ( 8085 calls) cdiaghg : 436.91s CPU 435.61s WALL ( 8357 calls) cegterg:over : 91.47s CPU 89.70s WALL ( 8085 calls) cegterg:upda : 30.45s CPU 32.58s WALL ( 8085 calls) cegterg:last : 21.51s CPU 21.97s WALL ( 1378 calls) Called by h_psi: h_psi:vloc : 558.82s CPU 564.59s WALL ( 8910 calls) h_psi:vnl : 87.07s CPU 87.94s WALL ( 8910 calls) add_vuspsi : 32.69s CPU 35.65s WALL ( 8910 calls) General routines calbec : 54.32s CPU 52.19s WALL ( 8910 calls) fft : 0.21s CPU 0.92s WALL ( 19 calls) ffts : 0.04s CPU 0.06s WALL ( 4 calls) fftw : 523.09s CPU 532.26s WALL ( 1321088 calls) interpolate : 0.06s CPU 0.08s WALL ( 4 calls) davcio : 0.07s CPU 3.16s WALL ( 544 calls) Parallel routines fft_scatter : 267.21s CPU 293.74s WALL ( 1321111 calls) PWSCF : 23m37.04s CPU 26m11.29s WALL This run was terminated on: 8:40:47 18Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=