Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:42:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaW.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 134 80 22 4122 1894 284 Max 135 81 23 4123 1924 286 Sum 4829 2885 809 148423 68791 10247 bravais-lattice index = 14 lattice parameter (alat) = 13.1308 a.u. unit-cell volume = 1214.9097 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 56.0000 Ry charge density cutoff = 374.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.130836 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.672919 celldm(5)= -0.672919 celldm(6)= 0.345838 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.345838 0.938294 0.000000 ) a(3) = ( -0.672919 -0.469147 0.571910 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.368581 0.874263 ) b(2) = ( 0.000000 1.065764 0.874263 ) b(3) = ( 0.000000 0.000000 1.748526 ) PseudoPot. # 1 for W read from file: /users/gautes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 W 14.00 183.84000 W( 1.00) Ca 10.00 40.07800 Ca( 1.00) No symmetry found (note: 3 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 273 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0000000 0.0000000 0.0218566), wk = 0.0036630 k( 3) = ( 0.0000000 0.0000000 0.0437132), wk = 0.0036630 k( 4) = ( 0.0000000 0.0000000 0.0655697), wk = 0.0036630 k( 5) = ( 0.0000000 0.0000000 0.0874263), wk = 0.0036630 k( 6) = ( 0.0000000 0.0000000 0.1092829), wk = 0.0036630 k( 7) = ( 0.0000000 0.0000000 0.1311395), wk = 0.0036630 k( 8) = ( 0.0000000 0.0000000 0.1529961), wk = 0.0036630 k( 9) = ( 0.0000000 0.0000000 0.1748526), wk = 0.0036630 k( 10) = ( 0.0000000 0.0000000 0.1967092), wk = 0.0036630 k( 11) = ( 0.0000000 0.0000000 0.2185658), wk = 0.0036630 k( 12) = ( 0.0000000 0.0000000 0.2404224), wk = 0.0036630 k( 13) = ( 0.0000000 0.0000000 0.2622790), wk = 0.0036630 k( 14) = ( 0.0000000 0.0000000 0.2841355), wk = 0.0036630 k( 15) = ( 0.0000000 0.0000000 0.3059921), wk = 0.0036630 k( 16) = ( 0.0000000 0.0000000 0.3278487), wk = 0.0036630 k( 17) = ( 0.0000000 0.0000000 0.3497053), wk = 0.0036630 k( 18) = ( 0.0000000 0.0000000 0.3715619), wk = 0.0036630 k( 19) = ( 0.0000000 0.0000000 0.3934185), wk = 0.0036630 k( 20) = ( 0.0000000 0.0000000 0.4152750), wk = 0.0036630 k( 21) = ( 0.0000000 0.0000000 0.4371316), wk = 0.0036630 k( 22) = ( 0.0000000 0.0000000 0.4589882), wk = 0.0036630 k( 23) = ( 0.0000000 0.0000000 0.4808448), wk = 0.0036630 k( 24) = ( 0.0000000 0.0000000 0.5027014), wk = 0.0036630 k( 25) = ( 0.0000000 0.0000000 0.5245579), wk = 0.0036630 k( 26) = ( 0.0000000 0.0000000 0.5464145), wk = 0.0036630 k( 27) = ( 0.0000000 0.0000000 0.5682711), wk = 0.0036630 k( 28) = ( 0.0000000 0.0000000 0.5901277), wk = 0.0036630 k( 29) = ( 0.0000000 0.0000000 0.6119843), wk = 0.0036630 k( 30) = ( 0.0000000 0.0000000 0.6338408), wk = 0.0036630 k( 31) = ( 0.0000000 0.0000000 0.6556974), wk = 0.0036630 k( 32) = ( 0.0000000 0.0000000 0.6775540), wk = 0.0036630 k( 33) = ( 0.0000000 0.0000000 0.6994106), wk = 0.0036630 k( 34) = ( 0.0000000 0.0000000 0.7212672), wk = 0.0036630 k( 35) = ( 0.0000000 0.0000000 0.7431237), wk = 0.0036630 k( 36) = ( 0.0000000 0.0000000 0.7649803), wk = 0.0036630 k( 37) = ( 0.0000000 0.0000000 0.7868369), wk = 0.0036630 k( 38) = ( 0.0000000 0.0000000 0.8086935), wk = 0.0036630 k( 39) = ( 0.0000000 0.0000000 0.8305501), wk = 0.0036630 k( 40) = ( 0.0000000 0.0000000 0.8524066), wk = 0.0036630 k( 41) = ( 0.0000000 0.0000000 0.8742632), wk = 0.0036630 k( 42) = ( 0.0000000 0.0000000 0.8742632), wk = 0.0036630 k( 43) = ( -0.0121516 0.0174296 0.8742632), wk = 0.0036630 k( 44) = ( -0.0243032 0.0348591 0.8742632), wk = 0.0036630 k( 45) = ( -0.0364548 0.0522887 0.8742632), wk = 0.0036630 k( 46) = ( -0.0486063 0.0697182 0.8742632), wk = 0.0036630 k( 47) = ( -0.0607579 0.0871478 0.8742632), wk = 0.0036630 k( 48) = ( -0.0729095 0.1045774 0.8742632), wk = 0.0036630 k( 49) = ( -0.0850611 0.1220069 0.8742632), wk = 0.0036630 k( 50) = ( -0.0972127 0.1394365 0.8742632), wk = 0.0036630 k( 51) = ( -0.1093643 0.1568661 0.8742632), wk = 0.0036630 k( 52) = ( -0.1215158 0.1742956 0.8742632), wk = 0.0036630 k( 53) = ( -0.1215158 0.1742956 0.8742632), wk = 0.0036630 k( 54) = ( -0.1301178 0.1866337 0.8592226), wk = 0.0036630 k( 55) = ( -0.1387197 0.1989718 0.8441819), wk = 0.0036630 k( 56) = ( -0.1473216 0.2113099 0.8291412), wk = 0.0036630 k( 57) = ( -0.1559235 0.2236480 0.8141005), wk = 0.0036630 k( 58) = ( -0.1645254 0.2359862 0.7990599), wk = 0.0036630 k( 59) = ( -0.1731273 0.2483243 0.7840192), wk = 0.0036630 k( 60) = ( -0.1817292 0.2606624 0.7689785), wk = 0.0036630 k( 61) = ( -0.1903312 0.2730005 0.7539379), wk = 0.0036630 k( 62) = ( -0.1989331 0.2853386 0.7388972), wk = 0.0036630 k( 63) = ( -0.2075350 0.2976767 0.7238565), wk = 0.0036630 k( 64) = ( -0.2161369 0.3100148 0.7088158), wk = 0.0036630 k( 65) = ( -0.2247388 0.3223529 0.6937752), wk = 0.0036630 k( 66) = ( -0.2333407 0.3346910 0.6787345), wk = 0.0036630 k( 67) = ( -0.2419426 0.3470291 0.6636938), wk = 0.0036630 k( 68) = ( -0.2505445 0.3593672 0.6486531), wk = 0.0036630 k( 69) = ( -0.2591464 0.3717053 0.6336125), wk = 0.0036630 k( 70) = ( -0.2677484 0.3840434 0.6185718), wk = 0.0036630 k( 71) = ( -0.2763503 0.3963816 0.6035311), wk = 0.0036630 k( 72) = ( -0.2849522 0.4087197 0.5884905), wk = 0.0036630 k( 73) = ( -0.2935541 0.4210578 0.5734498), wk = 0.0036630 k( 74) = ( -0.3021560 0.4333959 0.5584091), wk = 0.0036630 k( 75) = ( -0.3107579 0.4457340 0.5433685), wk = 0.0036630 k( 76) = ( -0.3107579 0.4457340 0.5433685), wk = 0.0036630 k( 77) = ( -0.3018791 0.4329987 0.5278436), wk = 0.0036630 k( 78) = ( -0.2930003 0.4202635 0.5123188), wk = 0.0036630 k( 79) = ( -0.2841215 0.4075282 0.4967940), wk = 0.0036630 k( 80) = ( -0.2752427 0.3947930 0.4812692), wk = 0.0036630 k( 81) = ( -0.2663639 0.3820577 0.4657444), wk = 0.0036630 k( 82) = ( -0.2574851 0.3693225 0.4502196), wk = 0.0036630 k( 83) = ( -0.2486063 0.3565872 0.4346948), wk = 0.0036630 k( 84) = ( -0.2397275 0.3438519 0.4191699), wk = 0.0036630 k( 85) = ( -0.2308487 0.3311167 0.4036451), wk = 0.0036630 k( 86) = ( -0.2219699 0.3183814 0.3881203), wk = 0.0036630 k( 87) = ( -0.2130912 0.3056462 0.3725955), wk = 0.0036630 k( 88) = ( -0.2042123 0.2929109 0.3570707), wk = 0.0036630 k( 89) = ( -0.1953335 0.2801756 0.3415459), wk = 0.0036630 k( 90) = ( -0.1864548 0.2674404 0.3260211), wk = 0.0036630 k( 91) = ( -0.1775760 0.2547051 0.3104963), wk = 0.0036630 k( 92) = ( -0.1686972 0.2419699 0.2949714), wk = 0.0036630 k( 93) = ( -0.1598184 0.2292346 0.2794466), wk = 0.0036630 k( 94) = ( -0.1509396 0.2164994 0.2639218), wk = 0.0036630 k( 95) = ( -0.1420608 0.2037641 0.2483970), wk = 0.0036630 k( 96) = ( -0.1331820 0.1910289 0.2328722), wk = 0.0036630 k( 97) = ( -0.1243032 0.1782936 0.2173474), wk = 0.0036630 k( 98) = ( -0.1154244 0.1655583 0.2018226), wk = 0.0036630 k( 99) = ( -0.1065456 0.1528231 0.1862977), wk = 0.0036630 k( 100) = ( -0.0976668 0.1400878 0.1707729), wk = 0.0036630 k( 101) = ( -0.0887880 0.1273526 0.1552481), wk = 0.0036630 k( 102) = ( -0.0799092 0.1146173 0.1397233), wk = 0.0036630 k( 103) = ( -0.0710304 0.1018821 0.1241985), wk = 0.0036630 k( 104) = ( -0.0621516 0.0891468 0.1086737), wk = 0.0036630 k( 105) = ( -0.0532728 0.0764115 0.0931489), wk = 0.0036630 k( 106) = ( -0.0443940 0.0636763 0.0776241), wk = 0.0036630 k( 107) = ( -0.0355152 0.0509410 0.0620992), wk = 0.0036630 k( 108) = ( -0.0266364 0.0382058 0.0465744), wk = 0.0036630 k( 109) = ( -0.0177576 0.0254705 0.0310496), wk = 0.0036630 k( 110) = ( -0.0088788 0.0127353 0.0155248), wk = 0.0036630 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 113) = ( 0.0178571 0.0124497 -0.0000000), wk = 0.0036630 k( 114) = ( 0.0357143 0.0248994 -0.0000000), wk = 0.0036630 k( 115) = ( 0.0535714 0.0373491 -0.0000000), wk = 0.0036630 k( 116) = ( 0.0714286 0.0497987 -0.0000000), wk = 0.0036630 k( 117) = ( 0.0892857 0.0622484 -0.0000000), wk = 0.0036630 k( 118) = ( 0.1071429 0.0746981 -0.0000000), wk = 0.0036630 k( 119) = ( 0.1250000 0.0871478 -0.0000000), wk = 0.0036630 k( 120) = ( 0.1428571 0.0995975 -0.0000000), wk = 0.0036630 k( 121) = ( 0.1607143 0.1120472 -0.0000000), wk = 0.0036630 k( 122) = ( 0.1785714 0.1244969 -0.0000000), wk = 0.0036630 k( 123) = ( 0.1964286 0.1369466 -0.0000000), wk = 0.0036630 k( 124) = ( 0.2142857 0.1493962 -0.0000000), wk = 0.0036630 k( 125) = ( 0.2321429 0.1618459 -0.0000000), wk = 0.0036630 k( 126) = ( 0.2500000 0.1742956 -0.0000000), wk = 0.0036630 k( 127) = ( 0.2678571 0.1867453 -0.0000000), wk = 0.0036630 k( 128) = ( 0.2857143 0.1991950 -0.0000000), wk = 0.0036630 k( 129) = ( 0.3035714 0.2116447 -0.0000000), wk = 0.0036630 k( 130) = ( 0.3214286 0.2240944 -0.0000000), wk = 0.0036630 k( 131) = ( 0.3392857 0.2365441 -0.0000000), wk = 0.0036630 k( 132) = ( 0.3571429 0.2489937 -0.0000000), wk = 0.0036630 k( 133) = ( 0.3750000 0.2614434 -0.0000000), wk = 0.0036630 k( 134) = ( 0.3928571 0.2738931 -0.0000000), wk = 0.0036630 k( 135) = ( 0.4107143 0.2863428 -0.0000000), wk = 0.0036630 k( 136) = ( 0.4285714 0.2987925 -0.0000000), wk = 0.0036630 k( 137) = ( 0.4464286 0.3112422 -0.0000000), wk = 0.0036630 k( 138) = ( 0.4642857 0.3236919 -0.0000000), wk = 0.0036630 k( 139) = ( 0.4821429 0.3361416 -0.0000000), wk = 0.0036630 k( 140) = ( 0.5000000 0.3485912 -0.0000000), wk = 0.0036630 k( 141) = ( 0.5000000 0.3485912 -0.0000000), wk = 0.0036630 k( 142) = ( 0.4913981 0.3609293 0.0150407), wk = 0.0036630 k( 143) = ( 0.4827962 0.3732674 0.0300813), wk = 0.0036630 k( 144) = ( 0.4741943 0.3856056 0.0451220), wk = 0.0036630 k( 145) = ( 0.4655923 0.3979437 0.0601627), wk = 0.0036630 k( 146) = ( 0.4569904 0.4102818 0.0752034), wk = 0.0036630 k( 147) = ( 0.4483885 0.4226199 0.0902440), wk = 0.0036630 k( 148) = ( 0.4397866 0.4349580 0.1052847), wk = 0.0036630 k( 149) = ( 0.4311847 0.4472961 0.1203254), wk = 0.0036630 k( 150) = ( 0.4225828 0.4596342 0.1353660), wk = 0.0036630 k( 151) = ( 0.4139809 0.4719723 0.1504067), wk = 0.0036630 k( 152) = ( 0.4053790 0.4843104 0.1654474), wk = 0.0036630 k( 153) = ( 0.3967771 0.4966485 0.1804881), wk = 0.0036630 k( 154) = ( 0.3881751 0.5089866 0.1955287), wk = 0.0036630 k( 155) = ( 0.3795732 0.5213247 0.2105694), wk = 0.0036630 k( 156) = ( 0.3709713 0.5336629 0.2256101), wk = 0.0036630 k( 157) = ( 0.3623694 0.5460010 0.2406507), wk = 0.0036630 k( 158) = ( 0.3537675 0.5583391 0.2556914), wk = 0.0036630 k( 159) = ( 0.3451656 0.5706772 0.2707321), wk = 0.0036630 k( 160) = ( 0.3365637 0.5830153 0.2857728), wk = 0.0036630 k( 161) = ( 0.3279617 0.5953534 0.3008134), wk = 0.0036630 k( 162) = ( 0.3193598 0.6076915 0.3158541), wk = 0.0036630 k( 163) = ( 0.3107579 0.6200296 0.3308948), wk = 0.0036630 k( 164) = ( 0.3107579 0.6200296 0.3308948), wk = 0.0036630 k( 165) = ( 0.2913356 0.6145829 0.3375346), wk = 0.0036630 k( 166) = ( 0.2719132 0.6091361 0.3441744), wk = 0.0036630 k( 167) = ( 0.2524908 0.6036894 0.3508142), wk = 0.0036630 k( 168) = ( 0.2330684 0.5982427 0.3574540), wk = 0.0036630 k( 169) = ( 0.2136461 0.5927959 0.3640938), wk = 0.0036630 k( 170) = ( 0.1942237 0.5873492 0.3707336), wk = 0.0036630 k( 171) = ( 0.1748013 0.5819024 0.3773734), wk = 0.0036630 k( 172) = ( 0.1553790 0.5764557 0.3840132), wk = 0.0036630 k( 173) = ( 0.1359566 0.5710090 0.3906530), wk = 0.0036630 k( 174) = ( 0.1165342 0.5655622 0.3972928), wk = 0.0036630 k( 175) = ( 0.0971118 0.5601155 0.4039326), wk = 0.0036630 k( 176) = ( 0.0776895 0.5546688 0.4105724), wk = 0.0036630 k( 177) = ( 0.0582671 0.5492220 0.4172122), wk = 0.0036630 k( 178) = ( 0.0388447 0.5437753 0.4238520), wk = 0.0036630 k( 179) = ( 0.0194224 0.5383285 0.4304918), wk = 0.0036630 k( 180) = ( 0.0000000 0.5328818 0.4371316), wk = 0.0036630 k( 181) = ( 0.0000000 0.5328818 0.4371316), wk = 0.0036630 k( 182) = ( 0.0089286 0.5200752 0.4527435), wk = 0.0036630 k( 183) = ( 0.0178571 0.5072685 0.4683553), wk = 0.0036630 k( 184) = ( 0.0267857 0.4944619 0.4839671), wk = 0.0036630 k( 185) = ( 0.0357143 0.4816552 0.4995790), wk = 0.0036630 k( 186) = ( 0.0446429 0.4688485 0.5151908), wk = 0.0036630 k( 187) = ( 0.0535714 0.4560419 0.5308027), wk = 0.0036630 k( 188) = ( 0.0625000 0.4432353 0.5464145), wk = 0.0036630 k( 189) = ( 0.0714286 0.4304286 0.5620264), wk = 0.0036630 k( 190) = ( 0.0803571 0.4176220 0.5776382), wk = 0.0036630 k( 191) = ( 0.0892857 0.4048153 0.5932500), wk = 0.0036630 k( 192) = ( 0.0982143 0.3920087 0.6088619), wk = 0.0036630 k( 193) = ( 0.1071429 0.3792020 0.6244737), wk = 0.0036630 k( 194) = ( 0.1160714 0.3663954 0.6400856), wk = 0.0036630 k( 195) = ( 0.1250000 0.3535887 0.6556974), wk = 0.0036630 k( 196) = ( 0.1339286 0.3407821 0.6713093), wk = 0.0036630 k( 197) = ( 0.1428571 0.3279754 0.6869211), wk = 0.0036630 k( 198) = ( 0.1517857 0.3151688 0.7025329), wk = 0.0036630 k( 199) = ( 0.1607143 0.3023621 0.7181448), wk = 0.0036630 k( 200) = ( 0.1696429 0.2895555 0.7337566), wk = 0.0036630 k( 201) = ( 0.1785714 0.2767488 0.7493685), wk = 0.0036630 k( 202) = ( 0.1875000 0.2639422 0.7649803), wk = 0.0036630 k( 203) = ( 0.1964286 0.2511355 0.7805922), wk = 0.0036630 k( 204) = ( 0.2053571 0.2383289 0.7962040), wk = 0.0036630 k( 205) = ( 0.2142857 0.2255222 0.8118158), wk = 0.0036630 k( 206) = ( 0.2232143 0.2127156 0.8274277), wk = 0.0036630 k( 207) = ( 0.2321429 0.1999089 0.8430395), wk = 0.0036630 k( 208) = ( 0.2410714 0.1871023 0.8586514), wk = 0.0036630 k( 209) = ( 0.2500000 0.1742956 0.8742632), wk = 0.0036630 k( 210) = ( 0.2500000 0.1742956 0.8742632), wk = 0.0036630 k( 211) = ( 0.2647059 0.1845483 0.8617648), wk = 0.0036630 k( 212) = ( 0.2794118 0.1948010 0.8492663), wk = 0.0036630 k( 213) = ( 0.2941177 0.2050537 0.8367679), wk = 0.0036630 k( 214) = ( 0.3088235 0.2153064 0.8242694), wk = 0.0036630 k( 215) = ( 0.3235294 0.2255590 0.8117710), wk = 0.0036630 k( 216) = ( 0.3382353 0.2358117 0.7992725), wk = 0.0036630 k( 217) = ( 0.3529412 0.2460644 0.7867741), wk = 0.0036630 k( 218) = ( 0.3676471 0.2563171 0.7742756), wk = 0.0036630 k( 219) = ( 0.3823529 0.2665698 0.7617772), wk = 0.0036630 k( 220) = ( 0.3970588 0.2768225 0.7492787), wk = 0.0036630 k( 221) = ( 0.4117647 0.2870751 0.7367803), wk = 0.0036630 k( 222) = ( 0.4264706 0.2973278 0.7242818), wk = 0.0036630 k( 223) = ( 0.4411765 0.3075805 0.7117833), wk = 0.0036630 k( 224) = ( 0.4558823 0.3178332 0.6992849), wk = 0.0036630 k( 225) = ( 0.4705882 0.3280859 0.6867865), wk = 0.0036630 k( 226) = ( 0.4852941 0.3383386 0.6742880), wk = 0.0036630 k( 227) = ( 0.5000000 0.3485912 0.6617895), wk = 0.0036630 k( 228) = ( 0.5000000 0.3485912 0.6617895), wk = 0.0036630 k( 229) = ( 0.5000000 0.3485912 0.6397299), wk = 0.0036630 k( 230) = ( 0.5000000 0.3485912 0.6176702), wk = 0.0036630 k( 231) = ( 0.5000000 0.3485912 0.5956106), wk = 0.0036630 k( 232) = ( 0.5000000 0.3485912 0.5735509), wk = 0.0036630 k( 233) = ( 0.5000000 0.3485912 0.5514913), wk = 0.0036630 k( 234) = ( 0.5000000 0.3485912 0.5294316), wk = 0.0036630 k( 235) = ( 0.5000000 0.3485912 0.5073720), wk = 0.0036630 k( 236) = ( 0.5000000 0.3485912 0.4853123), wk = 0.0036630 k( 237) = ( 0.5000000 0.3485912 0.4632527), wk = 0.0036630 k( 238) = ( 0.5000000 0.3485912 0.4411930), wk = 0.0036630 k( 239) = ( 0.5000000 0.3485912 0.4191334), wk = 0.0036630 k( 240) = ( 0.5000000 0.3485912 0.3970737), wk = 0.0036630 k( 241) = ( 0.5000000 0.3485912 0.3750141), wk = 0.0036630 k( 242) = ( 0.5000000 0.3485912 0.3529544), wk = 0.0036630 k( 243) = ( 0.5000000 0.3485912 0.3308948), wk = 0.0036630 k( 244) = ( 0.5000000 0.3485912 0.3088351), wk = 0.0036630 k( 245) = ( 0.5000000 0.3485912 0.2867755), wk = 0.0036630 k( 246) = ( 0.5000000 0.3485912 0.2647158), wk = 0.0036630 k( 247) = ( 0.5000000 0.3485912 0.2426562), wk = 0.0036630 k( 248) = ( 0.5000000 0.3485912 0.2205965), wk = 0.0036630 k( 249) = ( 0.5000000 0.3485912 0.1985369), wk = 0.0036630 k( 250) = ( 0.5000000 0.3485912 0.1764772), wk = 0.0036630 k( 251) = ( 0.5000000 0.3485912 0.1544176), wk = 0.0036630 k( 252) = ( 0.5000000 0.3485912 0.1323579), wk = 0.0036630 k( 253) = ( 0.5000000 0.3485912 0.1102983), wk = 0.0036630 k( 254) = ( 0.5000000 0.3485912 0.0882386), wk = 0.0036630 k( 255) = ( 0.5000000 0.3485912 0.0661789), wk = 0.0036630 k( 256) = ( 0.5000000 0.3485912 0.0441193), wk = 0.0036630 k( 257) = ( 0.5000000 0.3485912 0.0220597), wk = 0.0036630 k( 258) = ( 0.5000000 0.3485912 -0.0000000), wk = 0.0036630 k( 259) = ( 0.0000000 0.0000000 0.8742632), wk = 0.0036630 k( 260) = ( 0.0178571 0.0124497 0.8742632), wk = 0.0036630 k( 261) = ( 0.0357143 0.0248994 0.8742632), wk = 0.0036630 k( 262) = ( 0.0535714 0.0373491 0.8742632), wk = 0.0036630 k( 263) = ( 0.0714286 0.0497987 0.8742632), wk = 0.0036630 k( 264) = ( 0.0892857 0.0622484 0.8742632), wk = 0.0036630 k( 265) = ( 0.1071429 0.0746981 0.8742632), wk = 0.0036630 k( 266) = ( 0.1250000 0.0871478 0.8742632), wk = 0.0036630 k( 267) = ( 0.1428571 0.0995975 0.8742632), wk = 0.0036630 k( 268) = ( 0.1607143 0.1120472 0.8742632), wk = 0.0036630 k( 269) = ( 0.1785714 0.1244969 0.8742632), wk = 0.0036630 k( 270) = ( 0.1964286 0.1369466 0.8742632), wk = 0.0036630 k( 271) = ( 0.2142857 0.1493962 0.8742632), wk = 0.0036630 k( 272) = ( 0.2321429 0.1618459 0.8742632), wk = 0.0036630 k( 273) = ( 0.2500000 0.1742956 0.8742632), wk = 0.0036630 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 2) = ( 0.0000000 0.0000000 0.0125000), wk = 0.0036630 k( 3) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0036630 k( 4) = ( 0.0000000 0.0000000 0.0375000), wk = 0.0036630 k( 5) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0036630 k( 6) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036630 k( 7) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0036630 k( 8) = ( 0.0000000 0.0000000 0.0875000), wk = 0.0036630 k( 9) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0036630 k( 10) = ( 0.0000000 0.0000000 0.1125000), wk = 0.0036630 k( 11) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036630 k( 12) = ( 0.0000000 0.0000000 0.1375000), wk = 0.0036630 k( 13) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0036630 k( 14) = ( 0.0000000 0.0000000 0.1625000), wk = 0.0036630 k( 15) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0036630 k( 16) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036630 k( 17) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0036630 k( 18) = ( 0.0000000 0.0000000 0.2125000), wk = 0.0036630 k( 19) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0036630 k( 20) = ( 0.0000000 0.0000000 0.2375000), wk = 0.0036630 k( 21) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036630 k( 22) = ( 0.0000000 0.0000000 0.2625000), wk = 0.0036630 k( 23) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0036630 k( 24) = ( 0.0000000 0.0000000 0.2875000), wk = 0.0036630 k( 25) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0036630 k( 26) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036630 k( 27) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0036630 k( 28) = ( 0.0000000 0.0000000 0.3375000), wk = 0.0036630 k( 29) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0036630 k( 30) = ( 0.0000000 0.0000000 0.3625000), wk = 0.0036630 k( 31) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036630 k( 32) = ( 0.0000000 0.0000000 0.3875000), wk = 0.0036630 k( 33) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0036630 k( 34) = ( 0.0000000 0.0000000 0.4125000), wk = 0.0036630 k( 35) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0036630 k( 36) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036630 k( 37) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0036630 k( 38) = ( 0.0000000 0.0000000 0.4625000), wk = 0.0036630 k( 39) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0036630 k( 40) = ( 0.0000000 0.0000000 0.4875000), wk = 0.0036630 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 43) = ( -0.0121516 0.0121516 0.5000000), wk = 0.0036630 k( 44) = ( -0.0243032 0.0243032 0.5000000), wk = 0.0036630 k( 45) = ( -0.0364548 0.0364548 0.5000000), wk = 0.0036630 k( 46) = ( -0.0486063 0.0486063 0.5000000), wk = 0.0036630 k( 47) = ( -0.0607579 0.0607579 0.5000000), wk = 0.0036630 k( 48) = ( -0.0729095 0.0729095 0.5000000), wk = 0.0036630 k( 49) = ( -0.0850611 0.0850611 0.5000000), wk = 0.0036630 k( 50) = ( -0.0972127 0.0972127 0.5000000), wk = 0.0036630 k( 51) = ( -0.1093643 0.1093643 0.5000000), wk = 0.0036630 k( 52) = ( -0.1215158 0.1215158 0.5000000), wk = 0.0036630 k( 53) = ( -0.1215158 0.1215158 0.5000000), wk = 0.0036630 k( 54) = ( -0.1301178 0.1301178 0.4913981), wk = 0.0036630 k( 55) = ( -0.1387197 0.1387197 0.4827962), wk = 0.0036630 k( 56) = ( -0.1473216 0.1473216 0.4741943), wk = 0.0036630 k( 57) = ( -0.1559235 0.1559235 0.4655924), wk = 0.0036630 k( 58) = ( -0.1645254 0.1645254 0.4569904), wk = 0.0036630 k( 59) = ( -0.1731273 0.1731273 0.4483885), wk = 0.0036630 k( 60) = ( -0.1817292 0.1817292 0.4397866), wk = 0.0036630 k( 61) = ( -0.1903312 0.1903312 0.4311847), wk = 0.0036630 k( 62) = ( -0.1989331 0.1989331 0.4225828), wk = 0.0036630 k( 63) = ( -0.2075350 0.2075350 0.4139809), wk = 0.0036630 k( 64) = ( -0.2161369 0.2161369 0.4053790), wk = 0.0036630 k( 65) = ( -0.2247388 0.2247388 0.3967771), wk = 0.0036630 k( 66) = ( -0.2333407 0.2333407 0.3881751), wk = 0.0036630 k( 67) = ( -0.2419426 0.2419426 0.3795732), wk = 0.0036630 k( 68) = ( -0.2505445 0.2505445 0.3709713), wk = 0.0036630 k( 69) = ( -0.2591464 0.2591464 0.3623694), wk = 0.0036630 k( 70) = ( -0.2677484 0.2677484 0.3537675), wk = 0.0036630 k( 71) = ( -0.2763503 0.2763503 0.3451656), wk = 0.0036630 k( 72) = ( -0.2849522 0.2849522 0.3365637), wk = 0.0036630 k( 73) = ( -0.2935541 0.2935541 0.3279618), wk = 0.0036630 k( 74) = ( -0.3021560 0.3021560 0.3193598), wk = 0.0036630 k( 75) = ( -0.3107579 0.3107579 0.3107579), wk = 0.0036630 k( 76) = ( -0.3107579 0.3107579 0.3107579), wk = 0.0036630 k( 77) = ( -0.3018791 0.3018791 0.3018791), wk = 0.0036630 k( 78) = ( -0.2930003 0.2930003 0.2930003), wk = 0.0036630 k( 79) = ( -0.2841215 0.2841215 0.2841215), wk = 0.0036630 k( 80) = ( -0.2752427 0.2752427 0.2752427), wk = 0.0036630 k( 81) = ( -0.2663639 0.2663639 0.2663639), wk = 0.0036630 k( 82) = ( -0.2574851 0.2574851 0.2574851), wk = 0.0036630 k( 83) = ( -0.2486063 0.2486063 0.2486063), wk = 0.0036630 k( 84) = ( -0.2397275 0.2397275 0.2397275), wk = 0.0036630 k( 85) = ( -0.2308487 0.2308487 0.2308487), wk = 0.0036630 k( 86) = ( -0.2219699 0.2219699 0.2219700), wk = 0.0036630 k( 87) = ( -0.2130912 0.2130911 0.2130912), wk = 0.0036630 k( 88) = ( -0.2042123 0.2042123 0.2042124), wk = 0.0036630 k( 89) = ( -0.1953335 0.1953335 0.1953336), wk = 0.0036630 k( 90) = ( -0.1864548 0.1864548 0.1864548), wk = 0.0036630 k( 91) = ( -0.1775760 0.1775760 0.1775760), wk = 0.0036630 k( 92) = ( -0.1686972 0.1686972 0.1686972), wk = 0.0036630 k( 93) = ( -0.1598184 0.1598184 0.1598184), wk = 0.0036630 k( 94) = ( -0.1509396 0.1509396 0.1509396), wk = 0.0036630 k( 95) = ( -0.1420608 0.1420608 0.1420608), wk = 0.0036630 k( 96) = ( -0.1331820 0.1331820 0.1331820), wk = 0.0036630 k( 97) = ( -0.1243032 0.1243032 0.1243032), wk = 0.0036630 k( 98) = ( -0.1154244 0.1154244 0.1154244), wk = 0.0036630 k( 99) = ( -0.1065456 0.1065456 0.1065456), wk = 0.0036630 k( 100) = ( -0.0976668 0.0976668 0.0976668), wk = 0.0036630 k( 101) = ( -0.0887880 0.0887880 0.0887880), wk = 0.0036630 k( 102) = ( -0.0799092 0.0799092 0.0799092), wk = 0.0036630 k( 103) = ( -0.0710304 0.0710304 0.0710304), wk = 0.0036630 k( 104) = ( -0.0621516 0.0621516 0.0621516), wk = 0.0036630 k( 105) = ( -0.0532728 0.0532728 0.0532728), wk = 0.0036630 k( 106) = ( -0.0443940 0.0443940 0.0443940), wk = 0.0036630 k( 107) = ( -0.0355152 0.0355152 0.0355152), wk = 0.0036630 k( 108) = ( -0.0266364 0.0266364 0.0266364), wk = 0.0036630 k( 109) = ( -0.0177576 0.0177576 0.0177576), wk = 0.0036630 k( 110) = ( -0.0088788 0.0088788 0.0088788), wk = 0.0036630 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036630 k( 113) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0036630 k( 114) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0036630 k( 115) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0036630 k( 116) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0036630 k( 117) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0036630 k( 118) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0036630 k( 119) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0036630 k( 120) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0036630 k( 121) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0036630 k( 122) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0036630 k( 123) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0036630 k( 124) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0036630 k( 125) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0036630 k( 126) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0036630 k( 127) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0036630 k( 128) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0036630 k( 129) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0036630 k( 130) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0036630 k( 131) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0036630 k( 132) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0036630 k( 133) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0036630 k( 134) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0036630 k( 135) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0036630 k( 136) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0036630 k( 137) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0036630 k( 138) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0036630 k( 139) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0036630 k( 140) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036630 k( 141) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036630 k( 142) = ( 0.4913981 0.5086019 -0.4913981), wk = 0.0036630 k( 143) = ( 0.4827962 0.5172038 -0.4827962), wk = 0.0036630 k( 144) = ( 0.4741943 0.5258057 -0.4741943), wk = 0.0036630 k( 145) = ( 0.4655923 0.5344077 -0.4655923), wk = 0.0036630 k( 146) = ( 0.4569904 0.5430096 -0.4569904), wk = 0.0036630 k( 147) = ( 0.4483885 0.5516115 -0.4483885), wk = 0.0036630 k( 148) = ( 0.4397866 0.5602134 -0.4397866), wk = 0.0036630 k( 149) = ( 0.4311847 0.5688153 -0.4311847), wk = 0.0036630 k( 150) = ( 0.4225828 0.5774172 -0.4225828), wk = 0.0036630 k( 151) = ( 0.4139809 0.5860191 -0.4139809), wk = 0.0036630 k( 152) = ( 0.4053790 0.5946210 -0.4053790), wk = 0.0036630 k( 153) = ( 0.3967771 0.6032230 -0.3967771), wk = 0.0036630 k( 154) = ( 0.3881751 0.6118249 -0.3881751), wk = 0.0036630 k( 155) = ( 0.3795732 0.6204268 -0.3795732), wk = 0.0036630 k( 156) = ( 0.3709713 0.6290287 -0.3709713), wk = 0.0036630 k( 157) = ( 0.3623694 0.6376306 -0.3623694), wk = 0.0036630 k( 158) = ( 0.3537675 0.6462325 -0.3537675), wk = 0.0036630 k( 159) = ( 0.3451656 0.6548344 -0.3451656), wk = 0.0036630 k( 160) = ( 0.3365637 0.6634363 -0.3365637), wk = 0.0036630 k( 161) = ( 0.3279617 0.6720382 -0.3279618), wk = 0.0036630 k( 162) = ( 0.3193598 0.6806402 -0.3193598), wk = 0.0036630 k( 163) = ( 0.3107579 0.6892421 -0.3107579), wk = 0.0036630 k( 164) = ( 0.3107579 0.6892421 -0.3107579), wk = 0.0036630 k( 165) = ( 0.2913356 0.6774144 -0.2913356), wk = 0.0036630 k( 166) = ( 0.2719132 0.6655868 -0.2719132), wk = 0.0036630 k( 167) = ( 0.2524908 0.6537592 -0.2524908), wk = 0.0036630 k( 168) = ( 0.2330684 0.6419316 -0.2330684), wk = 0.0036630 k( 169) = ( 0.2136461 0.6301039 -0.2136461), wk = 0.0036630 k( 170) = ( 0.1942237 0.6182763 -0.1942237), wk = 0.0036630 k( 171) = ( 0.1748013 0.6064487 -0.1748013), wk = 0.0036630 k( 172) = ( 0.1553790 0.5946210 -0.1553790), wk = 0.0036630 k( 173) = ( 0.1359566 0.5827934 -0.1359566), wk = 0.0036630 k( 174) = ( 0.1165342 0.5709658 -0.1165342), wk = 0.0036630 k( 175) = ( 0.0971118 0.5591382 -0.0971119), wk = 0.0036630 k( 176) = ( 0.0776895 0.5473105 -0.0776895), wk = 0.0036630 k( 177) = ( 0.0582671 0.5354829 -0.0582671), wk = 0.0036630 k( 178) = ( 0.0388447 0.5236553 -0.0388447), wk = 0.0036630 k( 179) = ( 0.0194224 0.5118276 -0.0194224), wk = 0.0036630 k( 180) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 181) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036630 k( 182) = ( 0.0089286 0.4910714 0.0089286), wk = 0.0036630 k( 183) = ( 0.0178571 0.4821429 0.0178571), wk = 0.0036630 k( 184) = ( 0.0267857 0.4732143 0.0267857), wk = 0.0036630 k( 185) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0036630 k( 186) = ( 0.0446429 0.4553571 0.0446429), wk = 0.0036630 k( 187) = ( 0.0535714 0.4464286 0.0535714), wk = 0.0036630 k( 188) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0036630 k( 189) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0036630 k( 190) = ( 0.0803571 0.4196429 0.0803571), wk = 0.0036630 k( 191) = ( 0.0892857 0.4107143 0.0892857), wk = 0.0036630 k( 192) = ( 0.0982143 0.4017857 0.0982143), wk = 0.0036630 k( 193) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0036630 k( 194) = ( 0.1160714 0.3839286 0.1160714), wk = 0.0036630 k( 195) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0036630 k( 196) = ( 0.1339286 0.3660714 0.1339286), wk = 0.0036630 k( 197) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0036630 k( 198) = ( 0.1517857 0.3482143 0.1517857), wk = 0.0036630 k( 199) = ( 0.1607143 0.3392857 0.1607143), wk = 0.0036630 k( 200) = ( 0.1696429 0.3303571 0.1696429), wk = 0.0036630 k( 201) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0036630 k( 202) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0036630 k( 203) = ( 0.1964286 0.3035714 0.1964286), wk = 0.0036630 k( 204) = ( 0.2053571 0.2946429 0.2053571), wk = 0.0036630 k( 205) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0036630 k( 206) = ( 0.2232143 0.2767857 0.2232143), wk = 0.0036630 k( 207) = ( 0.2321429 0.2678571 0.2321429), wk = 0.0036630 k( 208) = ( 0.2410714 0.2589286 0.2410714), wk = 0.0036630 k( 209) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036630 k( 210) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036630 k( 211) = ( 0.2647059 0.2647059 0.2281461), wk = 0.0036630 k( 212) = ( 0.2794118 0.2794118 0.2062923), wk = 0.0036630 k( 213) = ( 0.2941177 0.2941177 0.1844384), wk = 0.0036630 k( 214) = ( 0.3088235 0.3088235 0.1625845), wk = 0.0036630 k( 215) = ( 0.3235294 0.3235294 0.1407306), wk = 0.0036630 k( 216) = ( 0.3382353 0.3382353 0.1188768), wk = 0.0036630 k( 217) = ( 0.3529412 0.3529412 0.0970229), wk = 0.0036630 k( 218) = ( 0.3676471 0.3676471 0.0751690), wk = 0.0036630 k( 219) = ( 0.3823529 0.3823529 0.0533151), wk = 0.0036630 k( 220) = ( 0.3970588 0.3970588 0.0314613), wk = 0.0036630 k( 221) = ( 0.4117647 0.4117647 0.0096074), wk = 0.0036630 k( 222) = ( 0.4264706 0.4264706 -0.0122465), wk = 0.0036630 k( 223) = ( 0.4411765 0.4411765 -0.0341004), wk = 0.0036630 k( 224) = ( 0.4558823 0.4558824 -0.0559542), wk = 0.0036630 k( 225) = ( 0.4705882 0.4705882 -0.0778081), wk = 0.0036630 k( 226) = ( 0.4852941 0.4852941 -0.0996620), wk = 0.0036630 k( 227) = ( 0.5000000 0.5000000 -0.1215159), wk = 0.0036630 k( 228) = ( 0.5000000 0.5000000 -0.1215159), wk = 0.0036630 k( 229) = ( 0.5000000 0.5000000 -0.1341320), wk = 0.0036630 k( 230) = ( 0.5000000 0.5000000 -0.1467481), wk = 0.0036630 k( 231) = ( 0.5000000 0.5000000 -0.1593643), wk = 0.0036630 k( 232) = ( 0.5000000 0.5000000 -0.1719804), wk = 0.0036630 k( 233) = ( 0.5000000 0.5000000 -0.1845965), wk = 0.0036630 k( 234) = ( 0.5000000 0.5000000 -0.1972127), wk = 0.0036630 k( 235) = ( 0.5000000 0.5000000 -0.2098288), wk = 0.0036630 k( 236) = ( 0.5000000 0.5000000 -0.2224450), wk = 0.0036630 k( 237) = ( 0.5000000 0.5000000 -0.2350611), wk = 0.0036630 k( 238) = ( 0.5000000 0.5000000 -0.2476772), wk = 0.0036630 k( 239) = ( 0.5000000 0.5000000 -0.2602934), wk = 0.0036630 k( 240) = ( 0.5000000 0.5000000 -0.2729095), wk = 0.0036630 k( 241) = ( 0.5000000 0.5000000 -0.2855257), wk = 0.0036630 k( 242) = ( 0.5000000 0.5000000 -0.2981418), wk = 0.0036630 k( 243) = ( 0.5000000 0.5000000 -0.3107579), wk = 0.0036630 k( 244) = ( 0.5000000 0.5000000 -0.3233741), wk = 0.0036630 k( 245) = ( 0.5000000 0.5000000 -0.3359902), wk = 0.0036630 k( 246) = ( 0.5000000 0.5000000 -0.3486063), wk = 0.0036630 k( 247) = ( 0.5000000 0.5000000 -0.3612225), wk = 0.0036630 k( 248) = ( 0.5000000 0.5000000 -0.3738386), wk = 0.0036630 k( 249) = ( 0.5000000 0.5000000 -0.3864548), wk = 0.0036630 k( 250) = ( 0.5000000 0.5000000 -0.3990709), wk = 0.0036630 k( 251) = ( 0.5000000 0.5000000 -0.4116870), wk = 0.0036630 k( 252) = ( 0.5000000 0.5000000 -0.4243032), wk = 0.0036630 k( 253) = ( 0.5000000 0.5000000 -0.4369193), wk = 0.0036630 k( 254) = ( 0.5000000 0.5000000 -0.4495355), wk = 0.0036630 k( 255) = ( 0.5000000 0.5000000 -0.4621516), wk = 0.0036630 k( 256) = ( 0.5000000 0.5000000 -0.4747677), wk = 0.0036630 k( 257) = ( 0.5000000 0.5000000 -0.4873839), wk = 0.0036630 k( 258) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0036630 k( 259) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036630 k( 260) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0036630 k( 261) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0036630 k( 262) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0036630 k( 263) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0036630 k( 264) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0036630 k( 265) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0036630 k( 266) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0036630 k( 267) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0036630 k( 268) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0036630 k( 269) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0036630 k( 270) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0036630 k( 271) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0036630 k( 272) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0036630 k( 273) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0036630 Dense grid: 148423 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 68791 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.42 Mb ( 476, 58) NL pseudopotentials 0.49 Mb ( 238, 136) Each V/rho on FFT grid 0.30 Mb ( 19683) Each G-vector array 0.03 Mb ( 4123) G-vector shells 0.01 Mb ( 1856) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.69 Mb ( 476, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 136, 2, 58) The potential is recalculated from file : ./CaW.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 8.1 secs Computing kpt #: 5 total cpu time spent up to now is 9.3 secs Computing kpt #: 6 total cpu time spent up to now is 10.6 secs Computing kpt #: 7 total cpu time spent up to now is 11.9 secs Computing kpt #: 8 total cpu time spent up to now is 13.1 secs Computing kpt #: 9 total cpu time spent up to now is 14.4 secs Computing kpt #: 10 total cpu time spent up to now is 15.7 secs Computing kpt #: 11 total cpu time spent up to now is 17.0 secs Computing kpt #: 12 total cpu time spent up to now is 18.3 secs Computing kpt #: 13 total cpu time spent up to now is 19.5 secs Computing kpt #: 14 total cpu time spent up to now is 20.8 secs Computing kpt #: 15 total cpu time spent up to now is 22.1 secs Computing kpt #: 16 total cpu time spent up to now is 23.4 secs Computing kpt #: 17 total cpu time spent up to now is 24.6 secs Computing kpt #: 18 total cpu time spent up to now is 25.9 secs Computing kpt #: 19 total cpu time spent up to now is 27.2 secs Computing kpt #: 20 total cpu time spent up to now is 28.5 secs Computing kpt #: 21 total cpu time spent up to now is 29.8 secs Computing kpt #: 22 total cpu time spent up to now is 31.2 secs Computing kpt #: 23 total cpu time spent up to now is 32.6 secs Computing kpt #: 24 total cpu time spent up to now is 34.0 secs Computing kpt #: 25 total cpu time spent up to now is 35.4 secs Computing kpt #: 26 total cpu time spent up to now is 37.1 secs Computing kpt #: 27 total cpu time spent up to now is 38.7 secs Computing kpt #: 28 total cpu time spent up to now is 40.5 secs Computing kpt #: 29 total cpu time spent up to now is 42.2 secs Computing kpt #: 30 total cpu time spent up to now is 44.0 secs Computing kpt #: 31 total cpu time spent up to now is 45.8 secs Computing kpt #: 32 total cpu time spent up to now is 47.6 secs Computing kpt #: 33 total cpu time spent up to now is 49.4 secs Computing kpt #: 34 total cpu time spent up to now is 51.1 secs Computing kpt #: 35 total cpu time spent up to now is 52.9 secs Computing kpt #: 36 total cpu time spent up to now is 54.6 secs Computing kpt #: 37 total cpu time spent up to now is 56.0 secs Computing kpt #: 38 total cpu time spent up to now is 57.5 secs Computing kpt #: 39 total cpu time spent up to now is 59.0 secs Computing kpt #: 40 total cpu time spent up to now is 60.4 secs Computing kpt #: 41 total cpu time spent up to now is 61.8 secs Computing kpt #: 42 total cpu time spent up to now is 63.1 secs Computing kpt #: 43 total cpu time spent up to now is 65.0 secs Computing kpt #: 44 total cpu time spent up to now is 66.8 secs Computing kpt #: 45 total cpu time spent up to now is 68.6 secs Computing kpt #: 46 total cpu time spent up to now is 70.3 secs Computing kpt #: 47 total cpu time spent up to now is 71.8 secs Computing kpt #: 48 total cpu time spent up to now is 73.2 secs Computing kpt #: 49 total cpu time spent up to now is 74.6 secs Computing kpt #: 50 total cpu time spent up to now is 76.0 secs Computing kpt #: 51 total cpu time spent up to now is 77.6 secs Computing kpt #: 52 total cpu time spent up to now is 79.2 secs Computing kpt #: 53 total cpu time spent up to now is 80.8 secs Computing kpt #: 54 total cpu time spent up to now is 82.5 secs Computing kpt #: 55 total cpu time spent up to now is 84.3 secs Computing kpt #: 56 total cpu time spent up to now is 86.2 secs Computing kpt #: 57 total cpu time spent up to now is 88.0 secs Computing kpt #: 58 total cpu time spent up to now is 89.7 secs Computing kpt #: 59 total cpu time spent up to now is 91.6 secs Computing kpt #: 60 total cpu time spent up to now is 93.4 secs Computing kpt #: 61 total cpu time spent up to now is 95.2 secs Computing kpt #: 62 total cpu time spent up to now is 97.0 secs Computing kpt #: 63 total cpu time spent up to now is 98.8 secs Computing kpt #: 64 total cpu time spent up to now is 100.6 secs Computing kpt #: 65 total cpu time spent up to now is 102.2 secs Computing kpt #: 66 total cpu time spent up to now is 103.9 secs Computing kpt #: 67 total cpu time spent up to now is 105.5 secs Computing kpt #: 68 total cpu time spent up to now is 107.1 secs Computing kpt #: 69 total cpu time spent up to now is 108.5 secs Computing kpt #: 70 total cpu time spent up to now is 109.8 secs Computing kpt #: 71 total cpu time spent up to now is 111.1 secs Computing kpt #: 72 total cpu time spent up to now is 112.4 secs Computing kpt #: 73 total cpu time spent up to now is 113.6 secs Computing kpt #: 74 total cpu time spent up to now is 114.9 secs Computing kpt #: 75 total cpu time spent up to now is 116.2 secs Computing kpt #: 76 total cpu time spent up to now is 117.4 secs Computing kpt #: 77 total cpu time spent up to now is 118.7 secs Computing kpt #: 78 total cpu time spent up to now is 120.0 secs Computing kpt #: 79 total cpu time spent up to now is 121.2 secs Computing kpt #: 80 total cpu time spent up to now is 122.4 secs Computing kpt #: 81 total cpu time spent up to now is 123.7 secs Computing kpt #: 82 total cpu time spent up to now is 124.9 secs Computing kpt #: 83 total cpu time spent up to now is 126.2 secs Computing kpt #: 84 total cpu time spent up to now is 127.5 secs Computing kpt #: 85 total cpu time spent up to now is 128.7 secs Computing kpt #: 86 total cpu time spent up to now is 130.0 secs Computing kpt #: 87 total cpu time spent up to now is 131.3 secs Computing kpt #: 88 total cpu time spent up to now is 132.6 secs Computing kpt #: 89 total cpu time spent up to now is 133.9 secs Computing kpt #: 90 total cpu time spent up to now is 135.1 secs Computing kpt #: 91 total cpu time spent up to now is 136.4 secs Computing kpt #: 92 total cpu time spent up to now is 137.9 secs Computing kpt #: 93 total cpu time spent up to now is 139.5 secs Computing kpt #: 94 total cpu time spent up to now is 140.8 secs Computing kpt #: 95 total cpu time spent up to now is 142.1 secs Computing kpt #: 96 total cpu time spent up to now is 143.3 secs Computing kpt #: 97 total cpu time spent up to now is 144.6 secs Computing kpt #: 98 total cpu time spent up to now is 145.9 secs Computing kpt #: 99 total cpu time spent up to now is 147.2 secs Computing kpt #: 100 total cpu time spent up to now is 148.4 secs Computing kpt #: 101 total cpu time spent up to now is 149.7 secs Computing kpt #: 102 total cpu time spent up to now is 151.0 secs Computing kpt #: 103 total cpu time spent up to now is 152.3 secs Computing kpt #: 104 total cpu time spent up to now is 153.5 secs Computing kpt #: 105 total cpu time spent up to now is 154.8 secs Computing kpt #: 106 total cpu time spent up to now is 156.0 secs Computing kpt #: 107 total cpu time spent up to now is 157.3 secs Computing kpt #: 108 total cpu time spent up to now is 158.5 secs Computing kpt #: 109 total cpu time spent up to now is 159.7 secs Computing kpt #: 110 total cpu time spent up to now is 161.0 secs Computing kpt #: 111 total cpu time spent up to now is 162.2 secs Computing kpt #: 112 total cpu time spent up to now is 163.4 secs Computing kpt #: 113 total cpu time spent up to now is 164.6 secs Computing kpt #: 114 total cpu time spent up to now is 165.9 secs Computing kpt #: 115 total cpu time spent up to now is 167.2 secs Computing kpt #: 116 total cpu time spent up to now is 168.5 secs Computing kpt #: 117 total cpu time spent up to now is 169.8 secs Computing kpt #: 118 total cpu time spent up to now is 171.3 secs Computing kpt #: 119 total cpu time spent up to now is 172.9 secs Computing kpt #: 120 total cpu time spent up to now is 174.5 secs Computing kpt #: 121 total cpu time spent up to now is 176.3 secs Computing kpt #: 122 total cpu time spent up to now is 178.3 secs Computing kpt #: 123 total cpu time spent up to now is 180.0 secs Computing kpt #: 124 total cpu time spent up to now is 181.7 secs Computing kpt #: 125 total cpu time spent up to now is 183.0 secs Computing kpt #: 126 total cpu time spent up to now is 184.4 secs Computing kpt #: 127 total cpu time spent up to now is 185.7 secs Computing kpt #: 128 total cpu time spent up to now is 187.1 secs Computing kpt #: 129 total cpu time spent up to now is 188.5 secs Computing kpt #: 130 total cpu time spent up to now is 189.8 secs Computing kpt #: 131 total cpu time spent up to now is 191.2 secs Computing kpt #: 132 total cpu time spent up to now is 192.5 secs Computing kpt #: 133 total cpu time spent up to now is 193.9 secs Computing kpt #: 134 total cpu time spent up to now is 195.2 secs Computing kpt #: 135 total cpu time spent up to now is 196.6 secs Computing kpt #: 136 total cpu time spent up to now is 198.2 secs Computing kpt #: 137 total cpu time spent up to now is 199.6 secs Computing kpt #: 138 total cpu time spent up to now is 201.6 secs Computing kpt #: 139 total cpu time spent up to now is 203.3 secs Computing kpt #: 140 total cpu time spent up to now is 204.4 secs Computing kpt #: 141 total cpu time spent up to now is 205.4 secs Computing kpt #: 142 total cpu time spent up to now is 206.8 secs Computing kpt #: 143 total cpu time spent up to now is 208.1 secs Computing kpt #: 144 total cpu time spent up to now is 209.4 secs Computing kpt #: 145 total cpu time spent up to now is 210.6 secs Computing kpt #: 146 total cpu time spent up to now is 211.9 secs Computing kpt #: 147 total cpu time spent up to now is 213.1 secs Computing kpt #: 148 total cpu time spent up to now is 214.4 secs Computing kpt #: 149 total cpu time spent up to now is 215.7 secs Computing kpt #: 150 total cpu time spent up to now is 216.9 secs Computing kpt #: 151 total cpu time spent up to now is 218.2 secs Computing kpt #: 152 total cpu time spent up to now is 219.4 secs Computing kpt #: 153 total cpu time spent up to now is 220.7 secs Computing kpt #: 154 total cpu time spent up to now is 222.0 secs Computing kpt #: 155 total cpu time spent up to now is 223.2 secs Computing kpt #: 156 total cpu time spent up to now is 224.5 secs Computing kpt #: 157 total cpu time spent up to now is 225.8 secs Computing kpt #: 158 total cpu time spent up to now is 227.1 secs Computing kpt #: 159 total cpu time spent up to now is 228.3 secs Computing kpt #: 160 total cpu time spent up to now is 229.6 secs Computing kpt #: 161 total cpu time spent up to now is 230.9 secs Computing kpt #: 162 total cpu time spent up to now is 232.1 secs Computing kpt #: 163 total cpu time spent up to now is 233.4 secs Computing kpt #: 164 total cpu time spent up to now is 234.7 secs Computing kpt #: 165 total cpu time spent up to now is 235.9 secs Computing kpt #: 166 total cpu time spent up to now is 237.2 secs Computing kpt #: 167 total cpu time spent up to now is 238.6 secs Computing kpt #: 168 total cpu time spent up to now is 239.9 secs Computing kpt #: 169 total cpu time spent up to now is 241.3 secs Computing kpt #: 170 total cpu time spent up to now is 242.7 secs Computing kpt #: 171 total cpu time spent up to now is 244.0 secs Computing kpt #: 172 total cpu time spent up to now is 245.3 secs Computing kpt #: 173 total cpu time spent up to now is 246.6 secs Computing kpt #: 174 total cpu time spent up to now is 247.9 secs Computing kpt #: 175 total cpu time spent up to now is 249.2 secs Computing kpt #: 176 total cpu time spent up to now is 250.5 secs Computing kpt #: 177 total cpu time spent up to now is 251.9 secs Computing kpt #: 178 total cpu time spent up to now is 253.2 secs Computing kpt #: 179 total cpu time spent up to now is 254.6 secs Computing kpt #: 180 total cpu time spent up to now is 255.9 secs Computing kpt #: 181 total cpu time spent up to now is 257.2 secs Computing kpt #: 182 total cpu time spent up to now is 258.4 secs Computing kpt #: 183 total cpu time spent up to now is 259.7 secs Computing kpt #: 184 total cpu time spent up to now is 261.0 secs Computing kpt #: 185 total cpu time spent up to now is 262.2 secs Computing kpt #: 186 total cpu time spent up to now is 263.5 secs Computing kpt #: 187 total cpu time spent up to now is 264.9 secs Computing kpt #: 188 total cpu time spent up to now is 266.3 secs Computing kpt #: 189 total cpu time spent up to now is 267.9 secs Computing kpt #: 190 total cpu time spent up to now is 269.6 secs Computing kpt #: 191 total cpu time spent up to now is 271.4 secs Computing kpt #: 192 total cpu time spent up to now is 273.1 secs Computing kpt #: 193 total cpu time spent up to now is 275.2 secs Computing kpt #: 194 total cpu time spent up to now is 277.2 secs Computing kpt #: 195 total cpu time spent up to now is 279.3 secs Computing kpt #: 196 total cpu time spent up to now is 281.5 secs Computing kpt #: 197 total cpu time spent up to now is 283.6 secs Computing kpt #: 198 total cpu time spent up to now is 285.7 secs Computing kpt #: 199 total cpu time spent up to now is 287.8 secs Computing kpt #: 200 total cpu time spent up to now is 289.9 secs Computing kpt #: 201 total cpu time spent up to now is 291.9 secs Computing kpt #: 202 total cpu time spent up to now is 293.7 secs Computing kpt #: 203 total cpu time spent up to now is 295.5 secs Computing kpt #: 204 total cpu time spent up to now is 297.2 secs Computing kpt #: 205 total cpu time spent up to now is 299.0 secs Computing kpt #: 206 total cpu time spent up to now is 300.6 secs Computing kpt #: 207 total cpu time spent up to now is 302.2 secs Computing kpt #: 208 total cpu time spent up to now is 303.8 secs Computing kpt #: 209 total cpu time spent up to now is 305.2 secs Computing kpt #: 210 total cpu time spent up to now is 306.6 secs Computing kpt #: 211 total cpu time spent up to now is 308.2 secs Computing kpt #: 212 total cpu time spent up to now is 309.8 secs Computing kpt #: 213 total cpu time spent up to now is 311.4 secs Computing kpt #: 214 total cpu time spent up to now is 313.0 secs Computing kpt #: 215 total cpu time spent up to now is 314.6 secs Computing kpt #: 216 total cpu time spent up to now is 316.4 secs Computing kpt #: 217 total cpu time spent up to now is 318.1 secs Computing kpt #: 218 total cpu time spent up to now is 319.9 secs Computing kpt #: 219 total cpu time spent up to now is 321.6 secs Computing kpt #: 220 total cpu time spent up to now is 323.3 secs Computing kpt #: 221 total cpu time spent up to now is 325.1 secs Computing kpt #: 222 total cpu time spent up to now is 326.9 secs Computing kpt #: 223 total cpu time spent up to now is 328.7 secs Computing kpt #: 224 total cpu time spent up to now is 330.5 secs Computing kpt #: 225 total cpu time spent up to now is 332.2 secs Computing kpt #: 226 total cpu time spent up to now is 333.8 secs Computing kpt #: 227 total cpu time spent up to now is 335.4 secs Computing kpt #: 228 total cpu time spent up to now is 337.0 secs Computing kpt #: 229 total cpu time spent up to now is 338.6 secs Computing kpt #: 230 total cpu time spent up to now is 340.3 secs Computing kpt #: 231 total cpu time spent up to now is 342.0 secs Computing kpt #: 232 total cpu time spent up to now is 343.9 secs Computing kpt #: 233 total cpu time spent up to now is 345.7 secs Computing kpt #: 234 total cpu time spent up to now is 347.6 secs Computing kpt #: 235 total cpu time spent up to now is 349.4 secs Computing kpt #: 236 total cpu time spent up to now is 351.3 secs Computing kpt #: 237 total cpu time spent up to now is 353.4 secs Computing kpt #: 238 total cpu time spent up to now is 355.3 secs Computing kpt #: 239 total cpu time spent up to now is 357.2 secs Computing kpt #: 240 total cpu time spent up to now is 359.1 secs Computing kpt #: 241 total cpu time spent up to now is 361.1 secs Computing kpt #: 242 total cpu time spent up to now is 362.8 secs Computing kpt #: 243 total cpu time spent up to now is 364.6 secs Computing kpt #: 244 total cpu time spent up to now is 366.3 secs Computing kpt #: 245 total cpu time spent up to now is 368.0 secs Computing kpt #: 246 total cpu time spent up to now is 369.7 secs Computing kpt #: 247 total cpu time spent up to now is 371.5 secs Computing kpt #: 248 total cpu time spent up to now is 373.2 secs Computing kpt #: 249 total cpu time spent up to now is 375.0 secs Computing kpt #: 250 total cpu time spent up to now is 376.8 secs Computing kpt #: 251 total cpu time spent up to now is 379.3 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 382.0 secs Computing kpt #: 253 total cpu time spent up to now is 383.3 secs Computing kpt #: 254 total cpu time spent up to now is 384.6 secs Computing kpt #: 255 total cpu time spent up to now is 386.2 secs Computing kpt #: 256 total cpu time spent up to now is 387.6 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 390.3 secs Computing kpt #: 258 total cpu time spent up to now is 391.4 secs Computing kpt #: 259 total cpu time spent up to now is 392.7 secs Computing kpt #: 260 total cpu time spent up to now is 394.5 secs Computing kpt #: 261 total cpu time spent up to now is 396.0 secs Computing kpt #: 262 total cpu time spent up to now is 397.4 secs Computing kpt #: 263 total cpu time spent up to now is 398.8 secs Computing kpt #: 264 total cpu time spent up to now is 400.2 secs Computing kpt #: 265 total cpu time spent up to now is 401.5 secs Computing kpt #: 266 total cpu time spent up to now is 402.9 secs Computing kpt #: 267 total cpu time spent up to now is 404.3 secs Computing kpt #: 268 total cpu time spent up to now is 405.7 secs Computing kpt #: 269 total cpu time spent up to now is 407.1 secs Computing kpt #: 270 total cpu time spent up to now is 408.6 secs Computing kpt #: 271 total cpu time spent up to now is 410.0 secs Computing kpt #: 272 total cpu time spent up to now is 411.4 secs Computing kpt #: 273 total cpu time spent up to now is 412.8 secs ethr = 2.08E-08, avg # of iterations = 33.8 total cpu time spent up to now is 412.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8601 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8320 -30.8320 -30.8202 -30.8202 -30.7821 -30.7821 -30.7762 -30.7762 -18.4718 -18.4718 -18.4433 -18.4433 -18.1077 -18.1077 -18.0711 -18.0711 -18.0666 -18.0666 -18.0481 -18.0481 0.7009 0.7009 3.6907 3.6907 4.1305 4.1305 4.2293 4.2293 4.3102 4.3102 4.5751 4.5751 4.6349 4.6349 4.6887 4.6887 4.8592 4.8592 5.3073 5.3073 5.4429 5.4429 5.6541 5.6541 5.9694 5.9694 k = 0.0000 0.0000 0.0219 ( 8607 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8320 -30.8320 -30.8202 -30.8202 -30.7822 -30.7822 -30.7762 -30.7762 -18.4718 -18.4718 -18.4433 -18.4433 -18.1077 -18.1077 -18.0711 -18.0711 -18.0665 -18.0665 -18.0482 -18.0482 0.7026 0.7026 3.6917 3.6917 4.1305 4.1306 4.2296 4.2296 4.3096 4.3096 4.5747 4.5748 4.6340 4.6340 4.6881 4.6881 4.8573 4.8574 5.3079 5.3079 5.4430 5.4430 5.6543 5.6544 5.9687 5.9687 k = 0.0000 0.0000 0.0437 ( 8603 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8320 -30.8320 -30.8202 -30.8202 -30.7821 -30.7821 -30.7762 -30.7762 -18.4718 -18.4718 -18.4433 -18.4433 -18.1076 -18.1076 -18.0713 -18.0713 -18.0664 -18.0664 -18.0482 -18.0482 0.7075 0.7075 3.6947 3.6947 4.1308 4.1308 4.2303 4.2303 4.3079 4.3079 4.5734 4.5735 4.6315 4.6315 4.6861 4.6861 4.8520 4.8520 5.3096 5.3096 5.4433 5.4434 5.6552 5.6553 5.9665 5.9665 k = 0.0000 0.0000 0.0656 ( 8607 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8319 -30.8319 -30.8202 -30.8202 -30.7821 -30.7821 -30.7762 -30.7762 -18.4718 -18.4718 -18.4434 -18.4434 -18.1076 -18.1076 -18.0715 -18.0715 -18.0662 -18.0662 -18.0482 -18.0482 0.7157 0.7157 3.6996 3.6996 4.1310 4.1311 4.2314 4.2314 4.3050 4.3051 4.5709 4.5710 4.6280 4.6281 4.6821 4.6821 4.8440 4.8440 5.3123 5.3123 5.4436 5.4437 5.6569 5.6570 5.9631 5.9631 k = 0.0000 0.0000 0.0874 ( 8623 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8319 -30.8319 -30.8203 -30.8203 -30.7821 -30.7821 -30.7763 -30.7763 -18.4717 -18.4717 -18.4435 -18.4435 -18.1075 -18.1075 -18.0719 -18.0719 -18.0659 -18.0659 -18.0482 -18.0482 0.7271 0.7271 3.7064 3.7064 4.1313 4.1313 4.2327 4.2327 4.3011 4.3011 4.5667 4.5669 4.6243 4.6244 4.6755 4.6755 4.8344 4.8345 5.3158 5.3158 5.4436 5.4437 5.6594 5.6595 5.9584 5.9584 k = 0.0000 0.0000 0.1093 ( 8620 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8319 -30.8319 -30.8203 -30.8203 -30.7821 -30.7821 -30.7763 -30.7763 -18.4716 -18.4716 -18.4436 -18.4436 -18.1074 -18.1074 -18.0723 -18.0723 -18.0656 -18.0656 -18.0483 -18.0483 0.7417 0.7417 3.7150 3.7150 4.1312 4.1313 4.2340 4.2341 4.2961 4.2961 4.5606 4.5607 4.6203 4.6204 4.6662 4.6663 4.8247 4.8247 5.3200 5.3200 5.4431 5.4432 5.6629 5.6630 5.9525 5.9525 k = 0.0000 0.0000 0.1311 ( 8616 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2558 -37.2558 -37.2500 -37.2500 -30.8318 -30.8318 -30.8204 -30.8204 -30.7821 -30.7821 -30.7763 -30.7763 -18.4715 -18.4715 -18.4437 -18.4437 -18.1073 -18.1073 -18.0727 -18.0727 -18.0652 -18.0652 -18.0483 -18.0483 0.7596 0.7596 3.7252 3.7252 4.1306 4.1306 4.2348 4.2349 4.2905 4.2906 4.5524 4.5525 4.6148 4.6148 4.6557 4.6558 4.8157 4.8158 5.3246 5.3247 5.4416 5.4418 5.6674 5.6675 5.9456 5.9456 k = 0.0000 0.0000 0.1530 ( 8622 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6332 -40.6332 -40.6304 -40.6304 -37.2558 -37.2558 -37.2500 -37.2500 -30.8318 -30.8318 -30.8204 -30.8204 -30.7820 -30.7820 -30.7763 -30.7763 -18.4714 -18.4714 -18.4439 -18.4439 -18.1071 -18.1071 -18.0731 -18.0731 -18.0649 -18.0649 -18.0484 -18.0484 0.7807 0.7807 3.7369 3.7369 4.1288 4.1289 4.2343 4.2344 4.2852 4.2853 4.5416 4.5417 4.6048 4.6048 4.6477 4.6479 4.8082 4.8083 5.3296 5.3296 5.4392 5.4394 5.6730 5.6731 5.9378 5.9378 k = 0.0000 0.0000 0.1749 ( 8628 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6332 -40.6332 -40.6304 -40.6304 -37.2558 -37.2558 -37.2500 -37.2500 -30.8317 -30.8317 -30.8205 -30.8205 -30.7820 -30.7820 -30.7764 -30.7764 -18.4712 -18.4712 -18.4441 -18.4441 -18.1070 -18.1070 -18.0736 -18.0736 -18.0645 -18.0645 -18.0485 -18.0485 0.8050 0.8050 3.7497 3.7497 4.1252 4.1253 4.2315 4.2317 4.2816 4.2818 4.5272 4.5272 4.5901 4.5902 4.6447 4.6450 4.8021 4.8021 5.3347 5.3347 5.4358 5.4360 5.6794 5.6795 5.9292 5.9292 k = 0.0000 0.0000 0.1967 ( 8630 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6332 -40.6332 -40.6305 -40.6305 -37.2557 -37.2557 -37.2501 -37.2501 -30.8316 -30.8316 -30.8206 -30.8206 -30.7820 -30.7820 -30.7764 -30.7764 -18.4711 -18.4711 -18.4443 -18.4443 -18.1068 -18.1068 -18.0741 -18.0741 -18.0642 -18.0642 -18.0486 -18.0486 0.8324 0.8324 3.7634 3.7635 4.1187 4.1188 4.2263 4.2265 4.2807 4.2808 4.5071 4.5071 4.5754 4.5755 4.6455 4.6457 4.7971 4.7971 5.3398 5.3398 5.4315 5.4316 5.6865 5.6867 5.9200 5.9200 k = 0.0000 0.0000 0.2186 ( 8618 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6332 -40.6332 -40.6305 -40.6305 -37.2557 -37.2557 -37.2501 -37.2501 -30.8315 -30.8315 -30.8207 -30.8207 -30.7819 -30.7819 -30.7764 -30.7764 -18.4709 -18.4709 -18.4445 -18.4445 -18.1066 -18.1066 -18.0746 -18.0746 -18.0638 -18.0638 -18.0487 -18.0487 0.8629 0.8629 3.7775 3.7776 4.1084 4.1085 4.2197 4.2200 4.2822 4.2824 4.4804 4.4804 4.5646 4.5648 4.6482 4.6484 4.7928 4.7929 5.3445 5.3446 5.4264 5.4265 5.6941 5.6942 5.9103 5.9103 k = 0.0000 0.0000 0.2404 ( 8630 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6332 -40.6332 -40.6305 -40.6305 -37.2556 -37.2556 -37.2501 -37.2501 -30.8315 -30.8315 -30.8208 -30.8208 -30.7818 -30.7818 -30.7765 -30.7765 -18.4707 -18.4707 -18.4448 -18.4448 -18.1063 -18.1063 -18.0752 -18.0752 -18.0634 -18.0634 -18.0488 -18.0488 0.8965 0.8965 3.7913 3.7914 4.0935 4.0937 4.2134 4.2136 4.2852 4.2854 4.4490 4.4491 4.5582 4.5583 4.6521 4.6523 4.7889 4.7889 5.3488 5.3488 5.4208 5.4209 5.7018 5.7019 5.9000 5.9000 k = 0.0000 0.0000 0.2623 ( 8626 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6331 -40.6331 -40.6305 -40.6305 -37.2556 -37.2556 -37.2502 -37.2502 -30.8314 -30.8314 -30.8209 -30.8209 -30.7818 -30.7818 -30.7765 -30.7765 -18.4705 -18.4705 -18.4451 -18.4451 -18.1061 -18.1061 -18.0757 -18.0757 -18.0630 -18.0630 -18.0489 -18.0489 0.9331 0.9331 3.8037 3.8038 4.0745 4.0747 4.2079 4.2082 4.2884 4.2886 4.4162 4.4162 4.5553 4.5554 4.6566 4.6567 4.7850 4.7851 5.3521 5.3522 5.4151 5.4152 5.7093 5.7095 5.8893 5.8893 k = 0.0000 0.0000 0.2841 ( 8622 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6331 -40.6331 -40.6306 -40.6306 -37.2555 -37.2555 -37.2503 -37.2503 -30.8313 -30.8313 -30.8210 -30.8210 -30.7817 -30.7817 -30.7766 -30.7766 -18.4702 -18.4702 -18.4454 -18.4454 -18.1058 -18.1058 -18.0763 -18.0763 -18.0627 -18.0627 -18.0490 -18.0490 0.9727 0.9727 3.8132 3.8132 4.0530 4.0532 4.2032 4.2034 4.2897 4.2899 4.3856 4.3857 4.5550 4.5551 4.6615 4.6617 4.7810 4.7811 5.3541 5.3541 5.4097 5.4098 5.7165 5.7165 5.8782 5.8782 k = 0.0000 0.0000 0.3060 ( 8622 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6331 -40.6331 -40.6306 -40.6306 -37.2555 -37.2555 -37.2503 -37.2503 -30.8312 -30.8312 -30.8212 -30.8212 -30.7817 -30.7817 -30.7766 -30.7766 -18.4700 -18.4700 -18.4457 -18.4457 -18.1055 -18.1055 -18.0768 -18.0768 -18.0623 -18.0623 -18.0491 -18.0491 1.0152 1.0152 3.8174 3.8175 4.0313 4.0314 4.1981 4.1984 4.2856 4.2859 4.3630 4.3631 4.5569 4.5570 4.6667 4.6668 4.7768 4.7769 5.3539 5.3540 5.4052 5.4053 5.7228 5.7229 5.8666 5.8666 k = 0.0000 0.0000 0.3278 ( 8622 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6330 -40.6330 -40.6306 -40.6306 -37.2554 -37.2554 -37.2504 -37.2504 -30.8310 -30.8310 -30.8213 -30.8213 -30.7816 -30.7816 -30.7767 -30.7767 -18.4697 -18.4697 -18.4460 -18.4460 -18.1052 -18.1052 -18.0774 -18.0774 -18.0620 -18.0620 -18.0493 -18.0493 1.0606 1.0606 3.8138 3.8139 4.0114 4.0116 4.1917 4.1919 4.2736 4.2739 4.3531 4.3532 4.5606 4.5607 4.6721 4.6722 4.7722 4.7722 5.3512 5.3513 5.4022 5.4023 5.7282 5.7282 5.8545 5.8545 k = 0.0000 0.0000 0.3497 ( 8614 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6330 -40.6330 -40.6306 -40.6306 -37.2553 -37.2553 -37.2504 -37.2504 -30.8309 -30.8309 -30.8214 -30.8214 -30.7815 -30.7815 -30.7767 -30.7767 -18.4694 -18.4694 -18.4464 -18.4464 -18.1049 -18.1049 -18.0780 -18.0780 -18.0616 -18.0616 -18.0494 -18.0494 1.1087 1.1087 3.8001 3.8002 3.9944 3.9945 4.1834 4.1835 4.2584 4.2586 4.3535 4.3536 4.5660 4.5661 4.6777 4.6778 4.7671 4.7672 5.3458 5.3458 5.4006 5.4007 5.7322 5.7322 5.8417 5.8417 k = 0.0000 0.0000 0.3716 ( 8606 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6330 -40.6330 -40.6306 -40.6306 -37.2553 -37.2553 -37.2505 -37.2505 -30.8308 -30.8308 -30.8216 -30.8216 -30.7814 -30.7814 -30.7768 -30.7768 -18.4691 -18.4691 -18.4467 -18.4467 -18.1045 -18.1045 -18.0786 -18.0786 -18.0612 -18.0612 -18.0495 -18.0495 1.1596 1.1596 3.7766 3.7767 3.9778 3.9779 4.1753 4.1754 4.2454 4.2456 4.3591 4.3592 4.5729 4.5729 4.6835 4.6837 4.7616 4.7616 5.3380 5.3381 5.4000 5.4001 5.7346 5.7347 5.8282 5.8283 k = 0.0000 0.0000 0.3934 ( 8610 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6329 -40.6329 -40.6307 -40.6307 -37.2552 -37.2552 -37.2506 -37.2506 -30.8307 -30.8307 -30.8217 -30.8217 -30.7814 -30.7814 -30.7769 -30.7769 -18.4688 -18.4688 -18.4471 -18.4471 -18.1042 -18.1042 -18.0791 -18.0791 -18.0609 -18.0609 -18.0497 -18.0497 1.2131 1.2131 3.7452 3.7452 3.9580 3.9580 4.1716 4.1716 4.2355 4.2357 4.3670 4.3670 4.5811 4.5811 4.6897 4.6898 4.7556 4.7556 5.3284 5.3285 5.3999 5.3999 5.7352 5.7352 5.8139 5.8139 k = 0.0000 0.0000 0.4153 ( 8596 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6329 -40.6329 -40.6307 -40.6307 -37.2551 -37.2551 -37.2507 -37.2507 -30.8305 -30.8305 -30.8219 -30.8219 -30.7813 -30.7813 -30.7769 -30.7769 -18.4685 -18.4685 -18.4475 -18.4475 -18.1038 -18.1038 -18.0797 -18.0797 -18.0605 -18.0605 -18.0499 -18.0499 1.2692 1.2692 3.7082 3.7083 3.9325 3.9325 4.1750 4.1750 4.2270 4.2272 4.3760 4.3760 4.5905 4.5905 4.6963 4.6964 4.7493 4.7493 5.3175 5.3175 5.3997 5.3997 5.7336 5.7336 5.7986 5.7986 k = 0.0000 0.0000 0.4371 ( 8600 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6329 -40.6329 -40.6307 -40.6307 -37.2550 -37.2550 -37.2507 -37.2507 -30.8303 -30.8303 -30.8221 -30.8221 -30.7812 -30.7812 -30.7770 -30.7770 -18.4681 -18.4681 -18.4480 -18.4480 -18.1034 -18.1034 -18.0803 -18.0803 -18.0602 -18.0602 -18.0500 -18.0500 1.3277 1.3277 3.6678 3.6678 3.9015 3.9015 4.1854 4.1855 4.2186 4.2187 4.3855 4.3856 4.6010 4.6010 4.7032 4.7033 4.7430 4.7430 5.3054 5.3055 5.3992 5.3992 5.7296 5.7296 5.7821 5.7822 k = 0.0000 0.0000 0.4590 ( 8592 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6328 -40.6328 -40.6308 -40.6308 -37.2549 -37.2549 -37.2508 -37.2508 -30.8302 -30.8302 -30.8222 -30.8222 -30.7811 -30.7811 -30.7771 -30.7771 -18.4677 -18.4677 -18.4484 -18.4484 -18.1030 -18.1030 -18.0810 -18.0810 -18.0599 -18.0599 -18.0502 -18.0502 1.3887 1.3887 3.6251 3.6251 3.8668 3.8668 4.2002 4.2003 4.2099 4.2099 4.3952 4.3952 4.6123 4.6123 4.7103 4.7103 4.7374 4.7375 5.2925 5.2926 5.3980 5.3981 5.7230 5.7230 5.7645 5.7645 k = 0.0000 0.0000 0.4808 ( 8604 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6328 -40.6328 -40.6308 -40.6308 -37.2548 -37.2548 -37.2509 -37.2509 -30.8300 -30.8300 -30.8224 -30.8224 -30.7810 -30.7810 -30.7772 -30.7772 -18.4674 -18.4674 -18.4489 -18.4489 -18.1026 -18.1026 -18.0816 -18.0816 -18.0595 -18.0595 -18.0504 -18.0504 1.4518 1.4518 3.5812 3.5812 3.8301 3.8302 4.1959 4.1960 4.2218 4.2218 4.4047 4.4047 4.6241 4.6241 4.7158 4.7158 4.7350 4.7350 5.2789 5.2790 5.3962 5.3962 5.7135 5.7135 5.7456 5.7456 k = 0.0000 0.0000 0.5027 ( 8614 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6328 -40.6328 -40.6309 -40.6309 -37.2548 -37.2548 -37.2510 -37.2510 -30.8299 -30.8299 -30.8226 -30.8226 -30.7809 -30.7809 -30.7772 -30.7772 -18.4670 -18.4670 -18.4493 -18.4493 -18.1021 -18.1021 -18.0822 -18.0822 -18.0592 -18.0592 -18.0506 -18.0506 1.5171 1.5171 3.5367 3.5367 3.7929 3.7929 4.1816 4.1817 4.2431 4.2431 4.4138 4.4138 4.6360 4.6360 4.7165 4.7165 4.7398 4.7398 5.2646 5.2647 5.3937 5.3937 5.7009 5.7009 5.7256 5.7256 k = 0.0000 0.0000 0.5246 ( 8602 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6327 -40.6327 -40.6309 -40.6309 -37.2547 -37.2547 -37.2511 -37.2511 -30.8297 -30.8297 -30.8228 -30.8228 -30.7808 -30.7808 -30.7773 -30.7773 -18.4665 -18.4665 -18.4498 -18.4498 -18.1016 -18.1016 -18.0828 -18.0828 -18.0589 -18.0589 -18.0507 -18.0507 1.5844 1.5844 3.4920 3.4920 3.7560 3.7560 4.1640 4.1641 4.2657 4.2657 4.4224 4.4224 4.6469 4.6469 4.7156 4.7156 4.7502 4.7502 5.2498 5.2499 5.3902 5.3903 5.6848 5.6848 5.7048 5.7049 k = 0.0000 0.0000 0.5464 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6327 -40.6327 -40.6309 -40.6309 -37.2546 -37.2546 -37.2512 -37.2512 -30.8295 -30.8295 -30.8230 -30.8230 -30.7807 -30.7807 -30.7774 -30.7774 -18.4661 -18.4661 -18.4503 -18.4503 -18.1012 -18.1012 -18.0834 -18.0834 -18.0586 -18.0586 -18.0509 -18.0509 1.6536 1.6536 3.4475 3.4475 3.7202 3.7203 4.1429 4.1429 4.2884 4.2884 4.4302 4.4303 4.6553 4.6554 4.7176 4.7176 4.7636 4.7636 5.2346 5.2347 5.3860 5.3860 5.6647 5.6647 5.6839 5.6839 k = 0.0000 0.0000 0.5683 ( 8584 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2545 -37.2545 -37.2513 -37.2513 -30.8293 -30.8293 -30.8232 -30.8232 -30.7806 -30.7806 -30.7775 -30.7775 -18.4657 -18.4657 -18.4508 -18.4508 -18.1007 -18.1007 -18.0840 -18.0840 -18.0582 -18.0582 -18.0511 -18.0511 1.7245 1.7245 3.4033 3.4033 3.6861 3.6861 4.1179 4.1180 4.3106 4.3106 4.4372 4.4373 4.6605 4.6606 4.7248 4.7248 4.7791 4.7791 5.2191 5.2191 5.3807 5.3807 5.6408 5.6408 5.6630 5.6630 k = 0.0000 0.0000 0.5901 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2544 -37.2544 -37.2514 -37.2514 -30.8291 -30.8291 -30.8234 -30.8234 -30.7805 -30.7805 -30.7776 -30.7776 -18.4652 -18.4652 -18.4513 -18.4513 -18.1002 -18.1002 -18.0847 -18.0847 -18.0579 -18.0579 -18.0513 -18.0513 1.7969 1.7969 3.3595 3.3595 3.6540 3.6541 4.0890 4.0891 4.3316 4.3316 4.4432 4.4433 4.6634 4.6635 4.7369 4.7370 4.7966 4.7967 5.2033 5.2033 5.3745 5.3745 5.6137 5.6137 5.6419 5.6419 k = 0.0000 0.0000 0.6120 ( 8588 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2543 -37.2543 -37.2515 -37.2515 -30.8289 -30.8289 -30.8236 -30.8236 -30.7804 -30.7804 -30.7777 -30.7777 -18.4648 -18.4648 -18.4518 -18.4518 -18.0997 -18.0997 -18.0853 -18.0853 -18.0576 -18.0576 -18.0515 -18.0515 1.8706 1.8706 3.3162 3.3162 3.6244 3.6244 4.0562 4.0562 4.3509 4.3509 4.4482 4.4484 4.6661 4.6662 4.7525 4.7526 4.8160 4.8161 5.1874 5.1875 5.3671 5.3671 5.5841 5.5842 5.6205 5.6205 k = 0.0000 0.0000 0.6338 ( 8592 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2541 -37.2541 -37.2516 -37.2516 -30.8287 -30.8287 -30.8238 -30.8238 -30.7803 -30.7803 -30.7778 -30.7778 -18.4643 -18.4643 -18.4524 -18.4524 -18.0992 -18.0992 -18.0859 -18.0859 -18.0573 -18.0573 -18.0517 -18.0517 1.9454 1.9454 3.2734 3.2734 3.5975 3.5976 4.0196 4.0196 4.3681 4.3681 4.4521 4.4523 4.6703 4.6705 4.7702 4.7703 4.8372 4.8373 5.1716 5.1716 5.3583 5.3583 5.5527 5.5528 5.5992 5.5992 k = 0.0000 0.0000 0.6557 ( 8588 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6311 -40.6311 -37.2540 -37.2540 -37.2517 -37.2517 -30.8285 -30.8285 -30.8240 -30.8240 -30.7802 -30.7802 -30.7779 -30.7779 -18.4638 -18.4638 -18.4529 -18.4529 -18.0986 -18.0986 -18.0866 -18.0866 -18.0570 -18.0570 -18.0520 -18.0520 2.0210 2.0210 3.2309 3.2309 3.5738 3.5738 3.9795 3.9796 4.3829 4.3830 4.4548 4.4550 4.6772 4.6774 4.7891 4.7891 4.8599 4.8600 5.1560 5.1561 5.3479 5.3479 5.5199 5.5199 5.5784 5.5784 k = 0.0000 0.0000 0.6776 ( 8588 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2539 -37.2539 -37.2518 -37.2518 -30.8283 -30.8283 -30.8242 -30.8242 -30.7801 -30.7801 -30.7780 -30.7780 -18.4633 -18.4633 -18.4535 -18.4535 -18.0981 -18.0981 -18.0872 -18.0872 -18.0567 -18.0567 -18.0522 -18.0522 2.0972 2.0972 3.1886 3.1886 3.5534 3.5534 3.9366 3.9367 4.3952 4.3954 4.4563 4.4566 4.6871 4.6873 4.8084 4.8084 4.8841 4.8842 5.1410 5.1410 5.3355 5.3355 5.4861 5.4861 5.5589 5.5589 k = 0.0000 0.0000 0.6994 ( 8584 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2519 -37.2519 -30.8281 -30.8281 -30.8245 -30.8245 -30.7800 -30.7800 -30.7780 -30.7780 -18.4628 -18.4628 -18.4540 -18.4540 -18.0975 -18.0975 -18.0878 -18.0878 -18.0565 -18.0565 -18.0524 -18.0524 2.1737 2.1737 3.1461 3.1461 3.5366 3.5367 3.8915 3.8915 4.4053 4.4055 4.4568 4.4571 4.7001 4.7003 4.8275 4.8275 4.9096 4.9097 5.1270 5.1270 5.3210 5.3210 5.4516 5.4517 5.5413 5.5413 k = 0.0000 0.0000 0.7213 ( 8592 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2537 -37.2537 -37.2521 -37.2521 -30.8279 -30.8279 -30.8247 -30.8247 -30.7799 -30.7799 -30.7781 -30.7781 -18.4623 -18.4623 -18.4546 -18.4546 -18.0970 -18.0970 -18.0885 -18.0885 -18.0562 -18.0562 -18.0526 -18.0526 2.2501 2.2501 3.1030 3.1030 3.5238 3.5238 3.8451 3.8451 4.4135 4.4137 4.4564 4.4567 4.7158 4.7160 4.8455 4.8455 4.9361 4.9362 5.1146 5.1147 5.3041 5.3042 5.4168 5.4169 5.5264 5.5264 k = 0.0000 0.0000 0.7431 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2536 -37.2536 -37.2522 -37.2522 -30.8277 -30.8277 -30.8249 -30.8249 -30.7798 -30.7798 -30.7782 -30.7782 -18.4617 -18.4617 -18.4551 -18.4551 -18.0964 -18.0964 -18.0891 -18.0891 -18.0559 -18.0559 -18.0528 -18.0528 2.3260 2.3260 3.0590 3.0590 3.5152 3.5153 3.7983 3.7983 4.4200 4.4202 4.4553 4.4556 4.7336 4.7338 4.8613 4.8613 4.9635 4.9636 5.1049 5.1050 5.2850 5.2850 5.3820 5.3820 5.5145 5.5145 k = 0.0000 0.0000 0.7650 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2535 -37.2535 -37.2523 -37.2523 -30.8275 -30.8275 -30.8251 -30.8251 -30.7797 -30.7797 -30.7783 -30.7783 -18.4612 -18.4612 -18.4557 -18.4557 -18.0958 -18.0958 -18.0897 -18.0897 -18.0556 -18.0556 -18.0531 -18.0531 2.4010 2.4010 3.0135 3.0135 3.5112 3.5112 3.7522 3.7523 4.4252 4.4255 4.4536 4.4539 4.7530 4.7532 4.8735 4.8735 4.9915 4.9915 5.0993 5.0994 5.2638 5.2639 5.3473 5.3473 5.5058 5.5059 k = 0.0000 0.0000 0.7868 ( 8578 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2533 -37.2533 -37.2524 -37.2524 -30.8273 -30.8273 -30.8253 -30.8253 -30.7796 -30.7796 -30.7784 -30.7784 -18.4607 -18.4607 -18.4562 -18.4562 -18.0952 -18.0952 -18.0903 -18.0903 -18.0553 -18.0553 -18.0533 -18.0533 2.4746 2.4746 2.9659 2.9659 3.5119 3.5120 3.7080 3.7080 4.4296 4.4298 4.4516 4.4519 4.7733 4.7735 4.8805 4.8806 5.0195 5.0196 5.0990 5.0991 5.2414 5.2415 5.3131 5.3131 5.5005 5.5005 k = 0.0000 0.0000 0.8087 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2532 -37.2532 -37.2525 -37.2525 -30.8271 -30.8271 -30.8255 -30.8255 -30.7795 -30.7795 -30.7785 -30.7785 -18.4601 -18.4601 -18.4568 -18.4568 -18.0946 -18.0946 -18.0910 -18.0910 -18.0551 -18.0551 -18.0536 -18.0536 2.5464 2.5464 2.9157 2.9157 3.5178 3.5179 3.6666 3.6666 4.4332 4.4335 4.4493 4.4496 4.7939 4.7940 4.8813 4.8814 5.0472 5.0472 5.1049 5.1050 5.2187 5.2188 5.2796 5.2797 5.4982 5.4982 k = 0.0000 0.0000 0.8306 ( 8582 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2526 -37.2526 -30.8269 -30.8269 -30.8257 -30.8257 -30.7794 -30.7794 -30.7786 -30.7786 -18.4596 -18.4596 -18.4573 -18.4573 -18.0940 -18.0940 -18.0916 -18.0916 -18.0548 -18.0548 -18.0538 -18.0538 2.6158 2.6158 2.8625 2.8625 3.5291 3.5291 3.6290 3.6290 4.4364 4.4366 4.4469 4.4472 4.8141 4.8142 4.8760 4.8761 5.0735 5.0736 5.1157 5.1158 5.1979 5.1980 5.2475 5.2476 5.4989 5.4989 k = 0.0000 0.0000 0.8524 ( 8578 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2528 -37.2528 -30.8267 -30.8267 -30.8259 -30.8259 -30.7794 -30.7794 -30.7786 -30.7786 -18.4590 -18.4590 -18.4579 -18.4579 -18.0934 -18.0934 -18.0922 -18.0922 -18.0546 -18.0546 -18.0540 -18.0540 2.6824 2.6824 2.8059 2.8059 3.5458 3.5459 3.5960 3.5960 4.4392 4.4395 4.4445 4.4448 4.8333 4.8334 4.8653 4.8654 5.0976 5.0976 5.1241 5.1241 5.1859 5.1860 5.2179 5.2180 5.5023 5.5024 k = 0.0000 0.0000 0.8743 ( 8554 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8266 -30.8259 -30.8259 -30.7793 -30.7793 -30.7786 -30.7786 -18.4585 -18.4585 -18.4585 -18.4585 -18.0928 -18.0928 -18.0928 -18.0928 -18.0543 -18.0543 -18.0543 -18.0543 2.7458 2.7458 2.7459 2.7459 3.5682 3.5682 3.5682 3.5682 4.4419 4.4419 4.4422 4.4422 4.8506 4.8506 4.8509 4.8509 5.1170 5.1170 5.1171 5.1171 5.1942 5.1942 5.1945 5.1945 5.5083 5.5084 k = 0.0000 0.0000 0.8743 ( 8554 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8266 -30.8259 -30.8259 -30.7793 -30.7793 -30.7786 -30.7786 -18.4585 -18.4585 -18.4585 -18.4585 -18.0928 -18.0928 -18.0928 -18.0928 -18.0543 -18.0543 -18.0543 -18.0543 2.7458 2.7458 2.7459 2.7459 3.5682 3.5682 3.5682 3.5682 4.4419 4.4419 4.4422 4.4422 4.8506 4.8506 4.8509 4.8509 5.1170 5.1170 5.1171 5.1171 5.1942 5.1942 5.1945 5.1945 5.5084 5.5084 k =-0.0122 0.0174 0.8743 ( 8562 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8266 -30.8260 -30.8259 -30.7794 -30.7793 -30.7786 -30.7786 -18.4585 -18.4585 -18.4584 -18.4584 -18.0930 -18.0930 -18.0926 -18.0926 -18.0545 -18.0545 -18.0541 -18.0541 2.7442 2.7443 2.7462 2.7464 3.5673 3.5674 3.5692 3.5693 4.4387 4.4390 4.4445 4.4448 4.8419 4.8422 4.8493 4.8496 5.1147 5.1148 5.1263 5.1264 5.1903 5.1905 5.1996 5.1999 5.5010 5.5011 k =-0.0243 0.0349 0.8743 ( 8566 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8266 -30.8260 -30.8259 -30.7794 -30.7793 -30.7787 -30.7786 -18.4585 -18.4585 -18.4584 -18.4584 -18.0932 -18.0932 -18.0924 -18.0924 -18.0547 -18.0547 -18.0539 -18.0539 2.7415 2.7416 2.7455 2.7456 3.5667 3.5667 3.5705 3.5706 4.4348 4.4351 4.4465 4.4468 4.8243 4.8246 4.8388 4.8391 5.1183 5.1184 5.1419 5.1419 5.1877 5.1880 5.2068 5.2071 5.4943 5.4944 k =-0.0365 0.0523 0.8743 ( 8578 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8266 -30.8260 -30.8259 -30.7794 -30.7793 -30.7787 -30.7786 -18.4585 -18.4585 -18.4584 -18.4584 -18.0934 -18.0934 -18.0922 -18.0922 -18.0549 -18.0549 -18.0538 -18.0538 2.7375 2.7376 2.7435 2.7436 3.5663 3.5664 3.5720 3.5721 4.4302 4.4305 4.4481 4.4484 4.7999 4.8002 4.8213 4.8216 5.1255 5.1257 5.1613 5.1614 5.1869 5.1871 5.2159 5.2162 5.4884 5.4886 k =-0.0486 0.0697 0.8743 ( 8578 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8266 -30.8260 -30.8259 -30.7794 -30.7793 -30.7787 -30.7786 -18.4585 -18.4585 -18.4584 -18.4584 -18.0936 -18.0936 -18.0920 -18.0920 -18.0551 -18.0550 -18.0536 -18.0536 2.7322 2.7323 2.7401 2.7402 3.5664 3.5664 3.5739 3.5740 4.4248 4.4251 4.4492 4.4495 4.7709 4.7712 4.7994 4.7996 5.1343 5.1344 5.1773 5.1774 5.1932 5.1933 5.2268 5.2271 5.4835 5.4836 k =-0.0608 0.0871 0.8743 ( 8564 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8266 -30.8260 -30.8259 -30.7794 -30.7793 -30.7787 -30.7786 -18.4585 -18.4585 -18.4584 -18.4583 -18.0937 -18.0937 -18.0918 -18.0918 -18.0552 -18.0552 -18.0535 -18.0534 2.7254 2.7256 2.7351 2.7352 3.5670 3.5671 3.5764 3.5764 4.4185 4.4188 4.4500 4.4503 4.7392 4.7394 4.7750 4.7753 5.1432 5.1433 5.1803 5.1805 5.2146 5.2146 5.2389 5.2392 5.4795 5.4796 k =-0.0729 0.1046 0.8743 ( 8562 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8266 -30.8260 -30.8259 -30.7794 -30.7793 -30.7787 -30.7786 -18.4585 -18.4585 -18.4583 -18.4583 -18.0939 -18.0939 -18.0916 -18.0916 -18.0554 -18.0554 -18.0533 -18.0533 2.7170 2.7172 2.7284 2.7285 3.5683 3.5684 3.5794 3.5795 4.4114 4.4117 4.4504 4.4508 4.7061 4.7063 4.7497 4.7499 5.1519 5.1520 5.1806 5.1807 5.2396 5.2397 5.2517 5.2520 5.4765 5.4766 k =-0.0851 0.1220 0.8743 ( 8570 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8266 -30.8260 -30.8259 -30.7794 -30.7793 -30.7787 -30.7785 -18.4585 -18.4585 -18.4583 -18.4583 -18.0941 -18.0941 -18.0914 -18.0914 -18.0556 -18.0556 -18.0532 -18.0532 2.7068 2.7070 2.7197 2.7198 3.5706 3.5707 3.5832 3.5833 4.4034 4.4036 4.4506 4.4509 4.6727 4.6730 4.7245 4.7248 5.1604 5.1605 5.1806 5.1808 5.2643 5.2646 5.2650 5.2651 5.4748 5.4749 k =-0.0972 0.1394 0.8743 ( 8570 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8265 -30.8260 -30.8258 -30.7795 -30.7792 -30.7787 -30.7785 -18.4585 -18.4585 -18.4583 -18.4583 -18.0942 -18.0942 -18.0912 -18.0912 -18.0558 -18.0558 -18.0530 -18.0530 2.6947 2.6948 2.7089 2.7090 3.5740 3.5740 3.5881 3.5881 4.3944 4.3947 4.4504 4.4508 4.6400 4.6402 4.7003 4.7005 5.1688 5.1689 5.1806 5.1808 5.2765 5.2767 5.2898 5.2899 5.4746 5.4747 k =-0.1094 0.1569 0.8743 ( 8560 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8265 -30.8260 -30.8258 -30.7795 -30.7792 -30.7787 -30.7785 -18.4585 -18.4585 -18.4582 -18.4582 -18.0943 -18.0943 -18.0910 -18.0910 -18.0560 -18.0559 -18.0529 -18.0529 2.6804 2.6805 2.6957 2.6959 3.5786 3.5786 3.5939 3.5940 4.3847 4.3849 4.4497 4.4500 4.6089 4.6091 4.6777 4.6779 5.1775 5.1776 5.1808 5.1809 5.2877 5.2880 5.3133 5.3134 5.4762 5.4763 k =-0.1215 0.1743 0.8743 ( 8556 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8265 -30.8261 -30.8258 -30.7795 -30.7792 -30.7787 -30.7785 -18.4585 -18.4585 -18.4582 -18.4582 -18.0944 -18.0944 -18.0908 -18.0908 -18.0561 -18.0561 -18.0528 -18.0528 2.6639 2.6640 2.6801 2.6803 3.5845 3.5846 3.6010 3.6011 4.3741 4.3743 4.4478 4.4482 4.5804 4.5806 4.6571 4.6573 5.1809 5.1811 5.1866 5.1867 5.2979 5.2982 5.3349 5.3350 5.4800 5.4802 k =-0.1215 0.1743 0.8743 ( 8556 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8265 -30.8261 -30.8258 -30.7795 -30.7792 -30.7787 -30.7785 -18.4585 -18.4585 -18.4582 -18.4582 -18.0944 -18.0944 -18.0908 -18.0908 -18.0561 -18.0561 -18.0528 -18.0528 2.6639 2.6640 2.6801 2.6803 3.5845 3.5846 3.6010 3.6011 4.3741 4.3743 4.4478 4.4482 4.5804 4.5806 4.6571 4.6573 5.1809 5.1811 5.1866 5.1867 5.2979 5.2982 5.3349 5.3350 5.4800 5.4802 k =-0.1301 0.1866 0.8592 ( 8555 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2530 -37.2530 -37.2528 -37.2528 -30.8268 -30.8265 -30.8260 -30.8258 -30.7795 -30.7792 -30.7787 -30.7785 -18.4587 -18.4587 -18.4580 -18.4580 -18.0946 -18.0946 -18.0906 -18.0906 -18.0562 -18.0562 -18.0527 -18.0527 2.6292 2.6293 2.6882 2.6882 3.5700 3.5701 3.6282 3.6283 4.3660 4.3662 4.4452 4.4456 4.5623 4.5626 4.6444 4.6446 5.1695 5.1697 5.2048 5.2049 5.3018 5.3021 5.3515 5.3517 5.4845 5.4846 k =-0.1387 0.1990 0.8442 ( 8568 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2530 -37.2530 -37.2527 -37.2527 -30.8268 -30.8266 -30.8259 -30.8257 -30.7795 -30.7793 -30.7787 -30.7785 -18.4591 -18.4591 -18.4576 -18.4576 -18.0947 -18.0947 -18.0904 -18.0904 -18.0564 -18.0564 -18.0526 -18.0526 2.5889 2.5889 2.6974 2.6974 3.5498 3.5499 3.6657 3.6657 4.3572 4.3574 4.4407 4.4411 4.5472 4.5474 4.6337 4.6339 5.1568 5.1569 5.2243 5.2244 5.3033 5.3035 5.3694 5.3696 5.4904 5.4905 k =-0.1473 0.2113 0.8291 ( 8579 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2527 -37.2527 -30.8269 -30.8268 -30.8258 -30.8256 -30.7795 -30.7793 -30.7787 -30.7785 -18.4594 -18.4594 -18.4573 -18.4573 -18.0949 -18.0949 -18.0901 -18.0901 -18.0565 -18.0565 -18.0525 -18.0525 2.5492 2.5493 2.7025 2.7026 3.5299 3.5299 3.7064 3.7064 4.3478 4.3480 4.4339 4.4342 4.5364 4.5366 4.6246 4.6247 5.1447 5.1448 5.2424 5.2425 5.3046 5.3048 5.3876 5.3878 5.4973 5.4974 k =-0.1559 0.2236 0.8141 ( 8581 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2532 -37.2532 -37.2526 -37.2526 -30.8270 -30.8269 -30.8257 -30.8255 -30.7796 -30.7794 -30.7787 -30.7784 -18.4597 -18.4597 -18.4570 -18.4570 -18.0952 -18.0952 -18.0898 -18.0898 -18.0567 -18.0567 -18.0524 -18.0524 2.5106 2.5106 2.7039 2.7039 3.5104 3.5105 3.7488 3.7488 4.3377 4.3379 4.4248 4.4251 4.5304 4.5306 4.6169 4.6170 5.1333 5.1334 5.2585 5.2586 5.3063 5.3065 5.4065 5.4067 5.5048 5.5049 k =-0.1645 0.2360 0.7991 ( 8583 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2532 -37.2532 -37.2525 -37.2525 -30.8271 -30.8270 -30.8256 -30.8254 -30.7796 -30.7794 -30.7786 -30.7784 -18.4600 -18.4600 -18.4566 -18.4566 -18.0954 -18.0954 -18.0895 -18.0895 -18.0568 -18.0568 -18.0524 -18.0523 2.4733 2.4733 2.7022 2.7022 3.4916 3.4916 3.7918 3.7918 4.3271 4.3273 4.4142 4.4144 4.5291 4.5292 4.6105 4.6106 5.1227 5.1228 5.2720 5.2720 5.3088 5.3090 5.4269 5.4271 5.5126 5.5127 k =-0.1731 0.2483 0.7840 ( 8599 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2533 -37.2533 -37.2525 -37.2525 -30.8272 -30.8271 -30.8255 -30.8253 -30.7797 -30.7795 -30.7786 -30.7784 -18.4603 -18.4603 -18.4563 -18.4563 -18.0956 -18.0956 -18.0892 -18.0892 -18.0570 -18.0569 -18.0523 -18.0523 2.4374 2.4374 2.6979 2.6979 3.4735 3.4735 3.8341 3.8341 4.3162 4.3164 4.4031 4.4032 4.5315 4.5317 4.6052 4.6054 5.1128 5.1129 5.2826 5.2826 5.3121 5.3123 5.4490 5.4491 5.5209 5.5210 k =-0.1817 0.2607 0.7690 ( 8594 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2534 -37.2534 -37.2524 -37.2524 -30.8273 -30.8272 -30.8253 -30.8252 -30.7797 -30.7795 -30.7785 -30.7783 -18.4605 -18.4605 -18.4560 -18.4560 -18.0959 -18.0959 -18.0889 -18.0889 -18.0571 -18.0571 -18.0522 -18.0522 2.4031 2.4031 2.6917 2.6917 3.4560 3.4560 3.8745 3.8745 4.3052 4.3054 4.3921 4.3923 4.5372 4.5374 4.6011 4.6013 5.1037 5.1038 5.2905 5.2906 5.3162 5.3163 5.4716 5.4717 5.5307 5.5309 k =-0.1903 0.2730 0.7539 ( 8606 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2534 -37.2534 -37.2523 -37.2523 -30.8274 -30.8273 -30.8252 -30.8251 -30.7798 -30.7796 -30.7785 -30.7783 -18.4608 -18.4608 -18.4557 -18.4557 -18.0961 -18.0961 -18.0886 -18.0886 -18.0572 -18.0572 -18.0521 -18.0521 2.3705 2.3705 2.6841 2.6841 3.4393 3.4393 3.9121 3.9121 4.2944 4.2946 4.3818 4.3819 4.5457 4.5458 4.5981 4.5982 5.0953 5.0954 5.2963 5.2964 5.3209 5.3210 5.4920 5.4921 5.5441 5.5443 k =-0.1989 0.2853 0.7389 ( 8602 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6314 -40.6314 -37.2535 -37.2535 -37.2523 -37.2523 -30.8275 -30.8274 -30.8251 -30.8250 -30.7798 -30.7796 -30.7784 -30.7783 -18.4610 -18.4610 -18.4555 -18.4555 -18.0963 -18.0963 -18.0884 -18.0884 -18.0574 -18.0574 -18.0520 -18.0520 2.3397 2.3397 2.6755 2.6755 3.4234 3.4234 3.9461 3.9461 4.2842 4.2843 4.3723 4.3724 4.5564 4.5566 4.5962 4.5963 5.0876 5.0877 5.3004 5.3006 5.3261 5.3262 5.5069 5.5070 5.5636 5.5637 k =-0.2075 0.2977 0.7239 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2535 -37.2535 -37.2522 -37.2522 -30.8276 -30.8275 -30.8250 -30.8249 -30.7798 -30.7797 -30.7784 -30.7782 -18.4612 -18.4612 -18.4552 -18.4552 -18.0965 -18.0965 -18.0881 -18.0881 -18.0575 -18.0575 -18.0519 -18.0519 2.3108 2.3108 2.6663 2.6663 3.4083 3.4084 3.9759 3.9759 4.2746 4.2748 4.3636 4.3637 4.5687 4.5688 4.5958 4.5959 5.0805 5.0806 5.3034 5.3035 5.3315 5.3317 5.5162 5.5163 5.5877 5.5878 k =-0.2161 0.3100 0.7088 ( 8595 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2536 -37.2536 -37.2522 -37.2522 -30.8277 -30.8276 -30.8249 -30.8248 -30.7799 -30.7797 -30.7783 -30.7782 -18.4614 -18.4614 -18.4550 -18.4550 -18.0967 -18.0967 -18.0878 -18.0878 -18.0576 -18.0576 -18.0519 -18.0519 2.2840 2.2840 2.6569 2.6569 3.3942 3.3942 4.0012 4.0012 4.2660 4.2661 4.3559 4.3560 4.5802 4.5803 4.5987 4.5988 5.0741 5.0742 5.3055 5.3057 5.3373 5.3374 5.5221 5.5221 5.6123 5.6124 k =-0.2247 0.3224 0.6938 ( 8597 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2536 -37.2536 -37.2522 -37.2522 -30.8278 -30.8277 -30.8248 -30.8247 -30.7799 -30.7798 -30.7783 -30.7782 -18.4616 -18.4616 -18.4547 -18.4547 -18.0969 -18.0969 -18.0876 -18.0876 -18.0578 -18.0577 -18.0518 -18.0518 2.2592 2.2592 2.6475 2.6475 3.3811 3.3811 4.0221 4.0221 4.2583 4.2585 4.3490 4.3491 4.5862 4.5863 4.6089 4.6090 5.0682 5.0683 5.3070 5.3071 5.3432 5.3433 5.5259 5.5260 5.6340 5.6341 k =-0.2333 0.3347 0.6787 ( 8603 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2537 -37.2537 -37.2521 -37.2521 -30.8278 -30.8278 -30.8247 -30.8247 -30.7800 -30.7798 -30.7783 -30.7781 -18.4618 -18.4618 -18.4545 -18.4545 -18.0970 -18.0970 -18.0874 -18.0874 -18.0579 -18.0578 -18.0518 -18.0517 2.2366 2.2366 2.6383 2.6383 3.3690 3.3690 4.0388 4.0388 4.2517 4.2518 4.3429 4.3430 4.5882 4.5883 4.6243 4.6244 5.0629 5.0629 5.3079 5.3080 5.3492 5.3493 5.5286 5.5286 5.6513 5.6514 k =-0.2419 0.3470 0.6637 ( 8601 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2537 -37.2537 -37.2521 -37.2521 -30.8279 -30.8278 -30.8247 -30.8246 -30.7800 -30.7799 -30.7782 -30.7781 -18.4620 -18.4620 -18.4543 -18.4543 -18.0972 -18.0972 -18.0872 -18.0872 -18.0580 -18.0579 -18.0517 -18.0517 2.2162 2.2162 2.6296 2.6296 3.3579 3.3580 4.0517 4.0518 4.2461 4.2462 4.3377 4.3377 4.5892 4.5894 4.6412 4.6413 5.0580 5.0581 5.3084 5.3085 5.3551 5.3552 5.5303 5.5304 5.6641 5.6642 k =-0.2505 0.3594 0.6487 ( 8601 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6313 -40.6313 -37.2537 -37.2537 -37.2520 -37.2520 -30.8279 -30.8279 -30.8246 -30.8245 -30.7800 -30.7799 -30.7782 -30.7781 -18.4621 -18.4621 -18.4542 -18.4542 -18.0973 -18.0973 -18.0870 -18.0870 -18.0580 -18.0580 -18.0516 -18.0516 2.1981 2.1981 2.6216 2.6216 3.3481 3.3481 4.0615 4.0616 4.2413 4.2414 4.3331 4.3332 4.5901 4.5902 4.6580 4.6581 5.0537 5.0538 5.3086 5.3087 5.3608 5.3609 5.5314 5.5315 5.6734 5.6735 k =-0.2591 0.3717 0.6336 ( 8603 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2520 -37.2520 -30.8280 -30.8279 -30.8245 -30.8245 -30.7801 -30.7799 -30.7782 -30.7780 -18.4622 -18.4622 -18.4540 -18.4540 -18.0974 -18.0974 -18.0868 -18.0868 -18.0581 -18.0581 -18.0516 -18.0516 2.1823 2.1823 2.6144 2.6144 3.3394 3.3394 4.0687 4.0688 4.2374 4.2375 4.3292 4.3293 4.5909 4.5910 4.6739 4.6740 5.0498 5.0499 5.3086 5.3086 5.3662 5.3663 5.5321 5.5321 5.6801 5.6802 k =-0.2677 0.3840 0.6186 ( 8597 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2520 -37.2520 -30.8280 -30.8280 -30.8245 -30.8244 -30.7801 -30.7800 -30.7781 -30.7780 -18.4623 -18.4623 -18.4539 -18.4539 -18.0975 -18.0975 -18.0867 -18.0867 -18.0582 -18.0582 -18.0516 -18.0516 2.1689 2.1689 2.6081 2.6081 3.3320 3.3320 4.0739 4.0739 4.2342 4.2343 4.3260 4.3261 4.5917 4.5918 4.6883 4.6884 5.0465 5.0466 5.3084 5.3085 5.3711 5.3712 5.5323 5.5324 5.6849 5.6850 k =-0.2764 0.3964 0.6035 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2520 -37.2520 -30.8281 -30.8280 -30.8245 -30.8244 -30.7801 -30.7800 -30.7781 -30.7780 -18.4624 -18.4624 -18.4538 -18.4538 -18.0976 -18.0976 -18.0866 -18.0866 -18.0582 -18.0582 -18.0515 -18.0515 2.1579 2.1579 2.6028 2.6028 3.3259 3.3259 4.0775 4.0775 4.2317 4.2318 4.3235 4.3235 4.5924 4.5925 4.7007 4.7008 5.0436 5.0437 5.3082 5.3083 5.3754 5.3754 5.5324 5.5324 5.6884 5.6884 k =-0.2850 0.4087 0.5885 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2520 -37.2520 -30.8281 -30.8280 -30.8244 -30.8244 -30.7801 -30.7800 -30.7781 -30.7780 -18.4625 -18.4625 -18.4537 -18.4537 -18.0977 -18.0977 -18.0865 -18.0865 -18.0583 -18.0583 -18.0515 -18.0515 2.1493 2.1493 2.5986 2.5986 3.3211 3.3211 4.0799 4.0799 4.2298 4.2298 4.3215 4.3216 4.5930 4.5931 4.7108 4.7109 5.0413 5.0414 5.3080 5.3080 5.3789 5.3789 5.5322 5.5323 5.6908 5.6908 k =-0.2936 0.4211 0.5734 ( 8594 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2519 -37.2519 -30.8281 -30.8281 -30.8244 -30.8243 -30.7801 -30.7800 -30.7781 -30.7780 -18.4625 -18.4625 -18.4537 -18.4537 -18.0977 -18.0977 -18.0864 -18.0864 -18.0583 -18.0583 -18.0515 -18.0515 2.1431 2.1431 2.5955 2.5955 3.3177 3.3177 4.0814 4.0815 4.2284 4.2285 4.3201 4.3202 4.5935 4.5936 4.7182 4.7183 5.0397 5.0397 5.3078 5.3078 5.3814 5.3815 5.5321 5.5322 5.6924 5.6924 k =-0.3022 0.4334 0.5584 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2519 -37.2519 -30.8281 -30.8281 -30.8244 -30.8243 -30.7801 -30.7800 -30.7781 -30.7780 -18.4625 -18.4625 -18.4536 -18.4536 -18.0977 -18.0977 -18.0864 -18.0864 -18.0583 -18.0583 -18.0515 -18.0515 2.1394 2.1394 2.5937 2.5937 3.3156 3.3156 4.0823 4.0823 4.2276 4.2277 4.3193 4.3193 4.5937 4.5939 4.7227 4.7228 5.0386 5.0387 5.3077 5.3077 5.3830 5.3831 5.5320 5.5320 5.6933 5.6933 k =-0.3108 0.4457 0.5434 ( 8595 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2519 -37.2519 -30.8281 -30.8281 -30.8244 -30.8243 -30.7801 -30.7800 -30.7781 -30.7780 -18.4626 -18.4625 -18.4536 -18.4536 -18.0978 -18.0978 -18.0864 -18.0864 -18.0583 -18.0583 -18.0515 -18.0515 2.1382 2.1382 2.5931 2.5931 3.3149 3.3149 4.0825 4.0826 4.2273 4.2274 4.3190 4.3191 4.5938 4.5939 4.7242 4.7243 5.0383 5.0383 5.3076 5.3077 5.3836 5.3837 5.5319 5.5320 5.6935 5.6936 k =-0.3108 0.4457 0.5434 ( 8595 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2519 -37.2519 -30.8281 -30.8281 -30.8244 -30.8243 -30.7801 -30.7800 -30.7781 -30.7780 -18.4626 -18.4625 -18.4536 -18.4536 -18.0978 -18.0978 -18.0864 -18.0864 -18.0583 -18.0583 -18.0515 -18.0515 2.1382 2.1382 2.5931 2.5931 3.3149 3.3149 4.0825 4.0826 4.2273 4.2274 4.3190 4.3191 4.5938 4.5939 4.7242 4.7243 5.0383 5.0383 5.3076 5.3077 5.3836 5.3837 5.5319 5.5320 5.6935 5.6936 k =-0.3019 0.4330 0.5278 ( 8601 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2539 -37.2539 -37.2519 -37.2519 -30.8283 -30.8282 -30.8242 -30.8242 -30.7802 -30.7801 -30.7780 -30.7779 -18.4629 -18.4629 -18.4533 -18.4533 -18.0981 -18.0981 -18.0860 -18.0860 -18.0585 -18.0585 -18.0514 -18.0514 2.1131 2.1131 2.6512 2.6512 3.3099 3.3099 4.0961 4.0962 4.2328 4.2329 4.3348 4.3348 4.5891 4.5892 4.7213 4.7213 5.0371 5.0372 5.3021 5.3021 5.3706 5.3706 5.5209 5.5210 5.6877 5.6878 k =-0.2930 0.4203 0.5123 ( 8609 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6312 -40.6312 -37.2540 -37.2540 -37.2518 -37.2518 -30.8284 -30.8284 -30.8241 -30.8240 -30.7803 -30.7802 -30.7779 -30.7779 -18.4633 -18.4633 -18.4529 -18.4529 -18.0985 -18.0985 -18.0856 -18.0856 -18.0586 -18.0586 -18.0513 -18.0513 2.0800 2.0800 2.7111 2.7111 3.3139 3.3139 4.1081 4.1081 4.2380 4.2381 4.3500 4.3500 4.5861 4.5862 4.7188 4.7189 5.0374 5.0375 5.2972 5.2972 5.3511 5.3512 5.5165 5.5166 5.6814 5.6814 k =-0.2841 0.4075 0.4968 ( 8601 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2541 -37.2541 -37.2517 -37.2517 -30.8286 -30.8285 -30.8239 -30.8239 -30.7803 -30.7802 -30.7779 -30.7778 -18.4637 -18.4637 -18.4525 -18.4525 -18.0989 -18.0989 -18.0852 -18.0852 -18.0587 -18.0587 -18.0512 -18.0512 2.0395 2.0395 2.7725 2.7725 3.3267 3.3267 4.1183 4.1184 4.2429 4.2430 4.3642 4.3642 4.5850 4.5850 4.7168 4.7169 5.0390 5.0391 5.2917 5.2918 5.3272 5.3274 5.5182 5.5183 5.6745 5.6746 k =-0.2752 0.3948 0.4813 ( 8597 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2542 -37.2542 -37.2516 -37.2516 -30.8287 -30.8287 -30.8238 -30.8237 -30.7804 -30.7803 -30.7778 -30.7777 -18.4641 -18.4641 -18.4521 -18.4521 -18.0993 -18.0993 -18.0848 -18.0848 -18.0589 -18.0589 -18.0511 -18.0510 1.9925 1.9925 2.8354 2.8354 3.3474 3.3474 4.1268 4.1269 4.2474 4.2475 4.3767 4.3767 4.5859 4.5859 4.7153 4.7153 5.0415 5.0416 5.2795 5.2795 5.3069 5.3071 5.5246 5.5247 5.6673 5.6673 k =-0.2664 0.3821 0.4657 ( 8597 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2542 -37.2542 -37.2515 -37.2515 -30.8289 -30.8289 -30.8236 -30.8236 -30.7805 -30.7804 -30.7777 -30.7776 -18.4645 -18.4645 -18.4517 -18.4517 -18.0997 -18.0997 -18.0844 -18.0844 -18.0590 -18.0590 -18.0509 -18.0509 1.9401 1.9401 2.8996 2.8996 3.3753 3.3753 4.1336 4.1336 4.2514 4.2515 4.3870 4.3871 4.5887 4.5888 4.7142 4.7143 5.0447 5.0448 5.2528 5.2529 5.3000 5.3000 5.5341 5.5342 5.6598 5.6598 k =-0.2575 0.3693 0.4502 ( 8601 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2543 -37.2543 -37.2514 -37.2514 -30.8291 -30.8290 -30.8234 -30.8234 -30.7806 -30.7805 -30.7776 -30.7776 -18.4649 -18.4649 -18.4513 -18.4513 -18.1001 -18.1001 -18.0840 -18.0840 -18.0591 -18.0591 -18.0508 -18.0508 1.8836 1.8836 2.9647 2.9647 3.4092 3.4092 4.1387 4.1388 4.2548 4.2549 4.3947 4.3948 4.5932 4.5933 4.7137 4.7138 5.0480 5.0482 5.2206 5.2207 5.2991 5.2992 5.5454 5.5455 5.6525 5.6526 k =-0.2486 0.3566 0.4347 ( 8597 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2544 -37.2544 -37.2514 -37.2514 -30.8292 -30.8292 -30.8233 -30.8232 -30.7806 -30.7806 -30.7775 -30.7775 -18.4653 -18.4653 -18.4509 -18.4509 -18.1005 -18.1005 -18.0836 -18.0836 -18.0593 -18.0593 -18.0507 -18.0507 1.8239 1.8239 3.0307 3.0307 3.4481 3.4481 4.1422 4.1423 4.2575 4.2576 4.3995 4.3997 4.5989 4.5991 4.7140 4.7141 5.0504 5.0506 5.1890 5.1892 5.3008 5.3009 5.5569 5.5570 5.6463 5.6464 k =-0.2397 0.3439 0.4192 ( 8601 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2545 -37.2545 -37.2513 -37.2513 -30.8294 -30.8293 -30.8231 -30.8231 -30.7807 -30.7807 -30.7775 -30.7774 -18.4657 -18.4657 -18.4505 -18.4505 -18.1009 -18.1009 -18.0831 -18.0831 -18.0595 -18.0594 -18.0506 -18.0506 1.7621 1.7621 3.0972 3.0972 3.4911 3.4911 4.1442 4.1443 4.2596 4.2596 4.4015 4.4016 4.6048 4.6051 4.7152 4.7153 5.0491 5.0494 5.1626 5.1629 5.3043 5.3044 5.5664 5.5665 5.6428 5.6428 k =-0.2308 0.3311 0.4036 ( 8595 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6327 -40.6327 -40.6309 -40.6309 -37.2546 -37.2546 -37.2512 -37.2512 -30.8295 -30.8295 -30.8229 -30.8229 -30.7808 -30.7807 -30.7774 -30.7773 -18.4661 -18.4661 -18.4501 -18.4501 -18.1013 -18.1013 -18.0827 -18.0827 -18.0596 -18.0596 -18.0505 -18.0505 1.6991 1.6991 3.1641 3.1641 3.5373 3.5373 4.1448 4.1449 4.2608 4.2609 4.4007 4.4009 4.6101 4.6103 4.7175 4.7176 5.0396 5.0399 5.1474 5.1478 5.3094 5.3095 5.5711 5.5712 5.6441 5.6442 k =-0.2220 0.3184 0.3881 ( 8599 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6327 -40.6327 -40.6309 -40.6309 -37.2547 -37.2547 -37.2511 -37.2511 -30.8297 -30.8297 -30.8228 -30.8227 -30.7809 -30.7808 -30.7773 -30.7773 -18.4665 -18.4665 -18.4497 -18.4497 -18.1017 -18.1017 -18.0822 -18.0822 -18.0598 -18.0598 -18.0504 -18.0504 1.6354 1.6354 3.2308 3.2308 3.5859 3.5859 4.1441 4.1442 4.2614 4.2615 4.3977 4.3979 4.6137 4.6140 4.7209 4.7211 5.0196 5.0199 5.1468 5.1471 5.3162 5.3162 5.5695 5.5695 5.6514 5.6515 k =-0.2131 0.3056 0.3726 ( 8607 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6328 -40.6328 -40.6308 -40.6308 -37.2547 -37.2547 -37.2510 -37.2510 -30.8298 -30.8298 -30.8226 -30.8226 -30.7810 -30.7809 -30.7772 -30.7772 -18.4668 -18.4668 -18.4493 -18.4493 -18.1021 -18.1021 -18.0817 -18.0817 -18.0600 -18.0600 -18.0503 -18.0503 1.5718 1.5718 3.2972 3.2972 3.6361 3.6361 4.1422 4.1423 4.2614 4.2614 4.3926 4.3928 4.6152 4.6155 4.7251 4.7253 4.9930 4.9932 5.1576 5.1578 5.3245 5.3246 5.5628 5.5628 5.6630 5.6630 k =-0.2042 0.2929 0.3571 ( 8615 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6328 -40.6328 -40.6308 -40.6308 -37.2548 -37.2548 -37.2509 -37.2509 -30.8300 -30.8300 -30.8224 -30.8224 -30.7811 -30.7810 -30.7772 -30.7771 -18.4672 -18.4672 -18.4489 -18.4489 -18.1025 -18.1025 -18.0812 -18.0812 -18.0602 -18.0602 -18.0501 -18.0501 1.5087 1.5087 3.3628 3.3628 3.6874 3.6874 4.1391 4.1391 4.2608 4.2609 4.3860 4.3863 4.6145 4.6148 4.7296 4.7298 4.9640 4.9643 5.1759 5.1760 5.3348 5.3348 5.5530 5.5530 5.6763 5.6764 k =-0.1953 0.2802 0.3415 ( 8613 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6328 -40.6328 -40.6308 -40.6308 -37.2549 -37.2549 -37.2509 -37.2509 -30.8301 -30.8301 -30.8223 -30.8223 -30.7811 -30.7811 -30.7771 -30.7771 -18.4676 -18.4676 -18.4485 -18.4485 -18.1028 -18.1028 -18.0808 -18.0807 -18.0604 -18.0604 -18.0500 -18.0500 1.4466 1.4466 3.4270 3.4270 3.7390 3.7390 4.1350 4.1350 4.2600 4.2600 4.3783 4.3786 4.6118 4.6121 4.7339 4.7340 4.9353 4.9355 5.1991 5.1992 5.3474 5.3474 5.5415 5.5415 5.6897 5.6897 k =-0.1865 0.2674 0.3260 ( 8617 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6329 -40.6329 -40.6308 -40.6308 -37.2550 -37.2550 -37.2508 -37.2508 -30.8303 -30.8303 -30.8221 -30.8221 -30.7812 -30.7812 -30.7770 -30.7770 -18.4679 -18.4679 -18.4481 -18.4481 -18.1032 -18.1032 -18.0803 -18.0803 -18.0606 -18.0606 -18.0499 -18.0499 1.3858 1.3858 3.4893 3.4894 3.7902 3.7902 4.1301 4.1302 4.2591 4.2591 4.3699 4.3701 4.6077 4.6080 4.7374 4.7376 4.9079 4.9080 5.2251 5.2251 5.3631 5.3632 5.5291 5.5292 5.7020 5.7020 k =-0.1776 0.2547 0.3105 ( 8615 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6329 -40.6329 -40.6307 -40.6307 -37.2551 -37.2551 -37.2507 -37.2507 -30.8304 -30.8304 -30.8220 -30.8220 -30.7813 -30.7813 -30.7770 -30.7769 -18.4682 -18.4682 -18.4477 -18.4477 -18.1036 -18.1036 -18.0797 -18.0797 -18.0609 -18.0609 -18.0498 -18.0498 1.3266 1.3266 3.5490 3.5490 3.8402 3.8403 4.1250 4.1251 4.2585 4.2585 4.3611 4.3614 4.6026 4.6028 4.7401 4.7402 4.8823 4.8825 5.2516 5.2516 5.3832 5.3832 5.5165 5.5166 5.7126 5.7126 k =-0.1687 0.2420 0.2950 ( 8621 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6329 -40.6329 -40.6307 -40.6307 -37.2551 -37.2551 -37.2506 -37.2506 -30.8306 -30.8306 -30.8218 -30.8218 -30.7814 -30.7813 -30.7769 -30.7769 -18.4686 -18.4686 -18.4474 -18.4474 -18.1039 -18.1039 -18.0792 -18.0792 -18.0611 -18.0611 -18.0497 -18.0497 1.2693 1.2693 3.6050 3.6050 3.8882 3.8882 4.1205 4.1206 4.2588 4.2588 4.3523 4.3525 4.5969 4.5971 4.7417 4.7419 4.8589 4.8591 5.2762 5.2763 5.4086 5.4087 5.5044 5.5044 5.7212 5.7212 k =-0.1598 0.2292 0.2794 ( 8625 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6330 -40.6330 -40.6307 -40.6307 -37.2552 -37.2552 -37.2506 -37.2506 -30.8307 -30.8307 -30.8217 -30.8217 -30.7814 -30.7814 -30.7769 -30.7768 -18.4689 -18.4689 -18.4470 -18.4470 -18.1043 -18.1043 -18.0787 -18.0787 -18.0614 -18.0614 -18.0495 -18.0495 1.2140 1.2140 3.6561 3.6561 3.9330 3.9330 4.1178 4.1179 4.2606 4.2607 4.3437 4.3440 4.5911 4.5913 4.7423 4.7424 4.8379 4.8381 5.2973 5.2974 5.4382 5.4383 5.4949 5.4950 5.7276 5.7276 k =-0.1509 0.2165 0.2639 ( 8621 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6330 -40.6330 -40.6306 -40.6306 -37.2553 -37.2553 -37.2505 -37.2505 -30.8308 -30.8308 -30.8215 -30.8215 -30.7815 -30.7815 -30.7768 -30.7768 -18.4692 -18.4692 -18.4466 -18.4466 -18.1046 -18.1046 -18.0782 -18.0782 -18.0616 -18.0616 -18.0494 -18.0494 1.1610 1.1610 3.7007 3.7008 3.9731 3.9731 4.1185 4.1186 4.2649 4.2650 4.3356 4.3359 4.5857 4.5859 4.7416 4.7418 4.8195 4.8197 5.3145 5.3146 5.4586 5.4587 5.5010 5.5010 5.7319 5.7320 k =-0.1421 0.2038 0.2484 ( 8615 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6330 -40.6330 -40.6306 -40.6306 -37.2553 -37.2553 -37.2504 -37.2504 -30.8309 -30.8309 -30.8214 -30.8214 -30.7816 -30.7815 -30.7767 -30.7767 -18.4695 -18.4695 -18.4463 -18.4463 -18.1050 -18.1050 -18.0777 -18.0777 -18.0619 -18.0619 -18.0493 -18.0493 1.1105 1.1105 3.7372 3.7372 4.0074 4.0075 4.1239 4.1240 4.2727 4.2727 4.3285 4.3287 4.5810 4.5812 4.7394 4.7396 4.8041 4.8043 5.3283 5.3284 5.4554 5.4555 5.5355 5.5355 5.7345 5.7346 k =-0.1332 0.1910 0.2329 ( 8617 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6331 -40.6331 -40.6306 -40.6306 -37.2554 -37.2554 -37.2504 -37.2504 -30.8311 -30.8311 -30.8213 -30.8212 -30.7816 -30.7816 -30.7767 -30.7767 -18.4698 -18.4698 -18.4459 -18.4459 -18.1053 -18.1053 -18.0772 -18.0772 -18.0622 -18.0622 -18.0492 -18.0492 1.0624 1.0624 3.7638 3.7639 4.0360 4.0362 4.1340 4.1341 4.2842 4.2843 4.3234 4.3236 4.5776 4.5777 4.7350 4.7353 4.7924 4.7926 5.3393 5.3395 5.4462 5.4463 5.5789 5.5789 5.7361 5.7361 k =-0.1243 0.1783 0.2173 ( 8615 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6331 -40.6331 -40.6306 -40.6306 -37.2555 -37.2555 -37.2503 -37.2503 -30.8312 -30.8312 -30.8211 -30.8211 -30.7817 -30.7817 -30.7766 -30.7766 -18.4700 -18.4700 -18.4456 -18.4456 -18.1056 -18.1056 -18.0766 -18.0766 -18.0625 -18.0625 -18.0491 -18.0491 1.0171 1.0171 3.7801 3.7802 4.0604 4.0605 4.1467 4.1469 4.2955 4.2957 4.3252 4.3252 4.5756 4.5757 4.7283 4.7286 4.7847 4.7850 5.3478 5.3479 5.4372 5.4372 5.6226 5.6226 5.7380 5.7381 k =-0.1154 0.1656 0.2018 ( 8627 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6331 -40.6331 -40.6306 -40.6306 -37.2555 -37.2555 -37.2502 -37.2502 -30.8313 -30.8313 -30.8210 -30.8210 -30.7817 -30.7817 -30.7766 -30.7766 -18.4703 -18.4703 -18.4453 -18.4453 -18.1058 -18.1058 -18.0761 -18.0761 -18.0628 -18.0628 -18.0490 -18.0490 0.9745 0.9745 3.7868 3.7869 4.0817 4.0819 4.1599 4.1601 4.2974 4.2977 4.3427 4.3428 4.5754 4.5755 4.7196 4.7198 4.7808 4.7811 5.3535 5.3536 5.4300 5.4300 5.6606 5.6606 5.7442 5.7443 k =-0.1065 0.1528 0.1863 ( 8631 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6331 -40.6331 -40.6305 -40.6305 -37.2556 -37.2556 -37.2502 -37.2502 -30.8314 -30.8314 -30.8209 -30.8209 -30.7818 -30.7818 -30.7765 -30.7765 -18.4705 -18.4705 -18.4450 -18.4450 -18.1061 -18.1061 -18.0756 -18.0756 -18.0632 -18.0632 -18.0489 -18.0489 0.9348 0.9348 3.7860 3.7861 4.0997 4.0998 4.1735 4.1737 4.2940 4.2943 4.3704 4.3705 4.5771 4.5772 4.7099 4.7101 4.7799 4.7801 5.3558 5.3559 5.4256 5.4256 5.6839 5.6840 5.7622 5.7623 k =-0.0977 0.1401 0.1708 ( 8625 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6331 -40.6331 -40.6305 -40.6305 -37.2556 -37.2556 -37.2501 -37.2501 -30.8315 -30.8315 -30.8208 -30.8208 -30.7819 -30.7818 -30.7765 -30.7765 -18.4707 -18.4707 -18.4448 -18.4448 -18.1063 -18.1063 -18.0751 -18.0751 -18.0635 -18.0635 -18.0488 -18.0488 0.8980 0.8980 3.7799 3.7799 4.1132 4.1133 4.1877 4.1879 4.2898 4.2901 4.4018 4.4018 4.5809 4.5810 4.7001 4.7003 4.7811 4.7813 5.3547 5.3548 5.4245 5.4246 5.6908 5.6909 5.7931 5.7931 k =-0.0888 0.1274 0.1552 ( 8617 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6332 -40.6332 -40.6305 -40.6305 -37.2557 -37.2557 -37.2501 -37.2501 -30.8316 -30.8316 -30.8207 -30.8207 -30.7819 -30.7819 -30.7764 -30.7764 -18.4709 -18.4709 -18.4445 -18.4445 -18.1066 -18.1066 -18.0746 -18.0746 -18.0638 -18.0638 -18.0486 -18.0486 0.8642 0.8642 3.7705 3.7705 4.1221 4.1221 4.2021 4.2022 4.2864 4.2867 4.4338 4.4338 4.5864 4.5865 4.6912 4.6913 4.7841 4.7842 5.3509 5.3509 5.4262 5.4262 5.6894 5.6895 5.8275 5.8276 k =-0.0799 0.1146 0.1397 ( 8613 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6332 -40.6332 -40.6304 -40.6304 -37.2557 -37.2557 -37.2501 -37.2501 -30.8316 -30.8316 -30.8206 -30.8206 -30.7819 -30.7819 -30.7764 -30.7764 -18.4711 -18.4711 -18.4443 -18.4443 -18.1068 -18.1068 -18.0741 -18.0741 -18.0642 -18.0642 -18.0486 -18.0486 0.8335 0.8335 3.7593 3.7593 4.1273 4.1273 4.2151 4.2151 4.2844 4.2847 4.4646 4.4647 4.5933 4.5933 4.6836 4.6838 4.7887 4.7889 5.3453 5.3453 5.4294 5.4295 5.6849 5.6850 5.8601 5.8601 k =-0.0710 0.1019 0.1242 ( 8619 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6332 -40.6332 -40.6304 -40.6304 -37.2558 -37.2558 -37.2500 -37.2500 -30.8317 -30.8317 -30.8205 -30.8205 -30.7820 -30.7820 -30.7764 -30.7764 -18.4712 -18.4712 -18.4441 -18.4441 -18.1070 -18.1070 -18.0736 -18.0736 -18.0646 -18.0646 -18.0485 -18.0485 0.8059 0.8059 3.7474 3.7474 4.1301 4.1302 4.2249 4.2249 4.2846 4.2848 4.4929 4.4930 4.6007 4.6008 4.6781 4.6782 4.7950 4.7951 5.3390 5.3390 5.4333 5.4334 5.6793 5.6794 5.8886 5.8886 k =-0.0622 0.0891 0.1087 ( 8615 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6332 -40.6332 -40.6304 -40.6304 -37.2558 -37.2558 -37.2500 -37.2500 -30.8318 -30.8318 -30.8204 -30.8204 -30.7820 -30.7820 -30.7763 -30.7763 -18.4714 -18.4714 -18.4439 -18.4439 -18.1071 -18.1071 -18.0731 -18.0731 -18.0649 -18.0649 -18.0484 -18.0484 0.7814 0.7814 3.7357 3.7357 4.1314 4.1315 4.2307 4.2307 4.2873 4.2874 4.5175 4.5176 4.6078 4.6078 4.6751 4.6752 4.8029 4.8030 5.3326 5.3326 5.4369 5.4371 5.6734 5.6736 5.9122 5.9122 k =-0.0533 0.0764 0.0931 ( 8615 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6332 -40.6332 -40.6304 -40.6304 -37.2558 -37.2558 -37.2500 -37.2500 -30.8318 -30.8318 -30.8204 -30.8204 -30.7821 -30.7821 -30.7763 -30.7763 -18.4715 -18.4715 -18.4437 -18.4437 -18.1073 -18.1073 -18.0727 -18.0727 -18.0653 -18.0653 -18.0483 -18.0483 0.7602 0.7602 3.7247 3.7247 4.1319 4.1319 4.2330 4.2331 4.2917 4.2918 4.5378 4.5379 4.6137 4.6138 4.6749 4.6750 4.8123 4.8124 5.3265 5.3265 5.4399 5.4400 5.6680 5.6681 5.9309 5.9309 k =-0.0444 0.0637 0.0776 ( 8617 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8319 -30.8319 -30.8203 -30.8203 -30.7821 -30.7821 -30.7763 -30.7763 -18.4716 -18.4716 -18.4436 -18.4436 -18.1074 -18.1074 -18.0723 -18.0723 -18.0656 -18.0656 -18.0483 -18.0483 0.7421 0.7421 3.7148 3.7148 4.1318 4.1318 4.2332 4.2333 4.2966 4.2967 4.5532 4.5533 4.6186 4.6187 4.6771 4.6771 4.8228 4.8228 5.3210 5.3210 5.4420 5.4421 5.6633 5.6635 5.9450 5.9450 k =-0.0355 0.0509 0.0621 ( 8619 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8319 -30.8319 -30.8203 -30.8203 -30.7821 -30.7821 -30.7763 -30.7763 -18.4717 -18.4717 -18.4435 -18.4435 -18.1075 -18.1075 -18.0719 -18.0719 -18.0659 -18.0659 -18.0482 -18.0482 0.7273 0.7273 3.7064 3.7064 4.1315 4.1315 4.2324 4.2324 4.3013 4.3013 4.5637 4.5638 4.6231 4.6233 4.6804 4.6804 4.8336 4.8336 5.3163 5.3163 5.4431 5.4432 5.6596 5.6598 5.9552 5.9552 k =-0.0266 0.0382 0.0466 ( 8619 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8319 -30.8319 -30.8202 -30.8202 -30.7821 -30.7821 -30.7762 -30.7762 -18.4718 -18.4718 -18.4434 -18.4434 -18.1076 -18.1076 -18.0715 -18.0715 -18.0662 -18.0662 -18.0482 -18.0482 0.7158 0.7158 3.6996 3.6997 4.1311 4.1311 4.2313 4.2313 4.3051 4.3051 4.5699 4.5700 4.6275 4.6276 4.6838 4.6838 4.8437 4.8437 5.3124 5.3125 5.4434 5.4435 5.6570 5.6571 5.9620 5.9620 k =-0.0178 0.0255 0.0310 ( 8611 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8320 -30.8320 -30.8202 -30.8202 -30.7822 -30.7822 -30.7762 -30.7762 -18.4718 -18.4718 -18.4433 -18.4433 -18.1076 -18.1076 -18.0713 -18.0713 -18.0664 -18.0664 -18.0482 -18.0482 0.7075 0.7075 3.6947 3.6947 4.1308 4.1308 4.2303 4.2303 4.3079 4.3079 4.5732 4.5733 4.6313 4.6314 4.6864 4.6864 4.8519 4.8519 5.3096 5.3096 5.4433 5.4433 5.6553 5.6553 5.9663 5.9663 k =-0.0089 0.0127 0.0155 ( 8609 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8320 -30.8320 -30.8202 -30.8202 -30.7822 -30.7822 -30.7762 -30.7762 -18.4718 -18.4718 -18.4433 -18.4433 -18.1077 -18.1077 -18.0711 -18.0711 -18.0665 -18.0665 -18.0482 -18.0482 0.7026 0.7026 3.6917 3.6917 4.1305 4.1306 4.2296 4.2296 4.3096 4.3096 4.5747 4.5748 4.6339 4.6340 4.6881 4.6881 4.8573 4.8573 5.3079 5.3079 5.4430 5.4430 5.6543 5.6544 5.9686 5.9686 k = 0.0000 0.0000 0.0000 ( 8601 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8320 -30.8320 -30.8202 -30.8202 -30.7821 -30.7821 -30.7762 -30.7762 -18.4718 -18.4718 -18.4433 -18.4433 -18.1077 -18.1077 -18.0711 -18.0711 -18.0666 -18.0666 -18.0481 -18.0481 0.7009 0.7009 3.6907 3.6907 4.1305 4.1305 4.2293 4.2293 4.3102 4.3102 4.5751 4.5751 4.6349 4.6349 4.6887 4.6887 4.8592 4.8592 5.3073 5.3073 5.4429 5.4429 5.6541 5.6541 5.9694 5.9694 k = 0.0000 0.0000 0.0000 ( 8601 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8320 -30.8320 -30.8202 -30.8202 -30.7821 -30.7821 -30.7762 -30.7762 -18.4718 -18.4718 -18.4433 -18.4433 -18.1077 -18.1077 -18.0711 -18.0711 -18.0666 -18.0666 -18.0481 -18.0481 0.7009 0.7009 3.6907 3.6907 4.1305 4.1305 4.2293 4.2293 4.3102 4.3102 4.5751 4.5751 4.6349 4.6349 4.6887 4.6887 4.8592 4.8592 5.3073 5.3073 5.4429 5.4429 5.6541 5.6541 5.9694 5.9694 k = 0.0179 0.0124-0.0000 ( 8605 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8320 -30.8320 -30.8202 -30.8202 -30.7821 -30.7821 -30.7762 -30.7762 -18.4718 -18.4718 -18.4433 -18.4433 -18.1076 -18.1076 -18.0711 -18.0711 -18.0665 -18.0665 -18.0482 -18.0482 0.7026 0.7026 3.6887 3.6887 4.1301 4.1301 4.2275 4.2275 4.3090 4.3090 4.5740 4.5740 4.6194 4.6194 4.7035 4.7035 4.8610 4.8610 5.3057 5.3057 5.4445 5.4445 5.6388 5.6388 5.9883 5.9883 k = 0.0357 0.0249-0.0000 ( 8613 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8319 -30.8319 -30.8202 -30.8202 -30.7821 -30.7821 -30.7762 -30.7762 -18.4718 -18.4718 -18.4434 -18.4434 -18.1076 -18.1076 -18.0714 -18.0714 -18.0663 -18.0663 -18.0482 -18.0482 0.7076 0.7076 3.6826 3.6826 4.1288 4.1288 4.2220 4.2220 4.3054 4.3054 4.5705 4.5705 4.5903 4.5903 4.7307 4.7307 4.8664 4.8664 5.3008 5.3008 5.4494 5.4494 5.6021 5.6021 6.0363 6.0363 k = 0.0536 0.0373-0.0000 ( 8625 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6333 -40.6333 -40.6304 -40.6304 -37.2559 -37.2559 -37.2499 -37.2499 -30.8319 -30.8319 -30.8203 -30.8203 -30.7821 -30.7821 -30.7763 -30.7763 -18.4717 -18.4717 -18.4435 -18.4435 -18.1075 -18.1075 -18.0717 -18.0717 -18.0660 -18.0660 -18.0482 -18.0482 0.7160 0.7160 3.6723 3.6723 4.1266 4.1266 4.2128 4.2128 4.2997 4.2997 4.5577 4.5577 4.5652 4.5652 4.7603 4.7603 4.8753 4.8753 5.2924 5.2924 5.4571 5.4571 5.5576 5.5576 6.0993 6.0993 k = 0.0714 0.0498-0.0000 ( 8617 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6332 -40.6332 -40.6304 -40.6304 -37.2558 -37.2558 -37.2499 -37.2499 -30.8318 -30.8318 -30.8204 -30.8204 -30.7821 -30.7821 -30.7763 -30.7763 -18.4715 -18.4715 -18.4436 -18.4436 -18.1073 -18.1073 -18.0722 -18.0722 -18.0657 -18.0657 -18.0483 -18.0483 0.7277 0.7277 3.6574 3.6574 4.1233 4.1233 4.2000 4.2000 4.2919 4.2919 4.5235 4.5235 4.5585 4.5585 4.7907 4.7907 4.8876 4.8876 5.2803 5.2803 5.4672 5.4672 5.5139 5.5139 6.1685 6.1685 k = 0.0893 0.0622-0.0000 ( 8613 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6332 -40.6332 -40.6304 -40.6304 -37.2558 -37.2558 -37.2500 -37.2500 -30.8317 -30.8317 -30.8204 -30.8204 -30.7820 -30.7820 -30.7763 -30.7763 -18.4713 -18.4713 -18.4438 -18.4438 -18.1071 -18.1071 -18.0727 -18.0727 -18.0653 -18.0653 -18.0484 -18.0484 0.7427 0.7427 3.6376 3.6376 4.1188 4.1188 4.1836 4.1836 4.2824 4.2824 4.4888 4.4888 4.5511 4.5511 4.8215 4.8215 4.9029 4.9029 5.2644 5.2644 5.4752 5.4752 5.4793 5.4793 6.2388 6.2388 k = 0.1071 0.0747-0.0000 ( 8613 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6332 -40.6332 -40.6304 -40.6304 -37.2557 -37.2557 -37.2500 -37.2500 -30.8316 -30.8316 -30.8205 -30.8205 -30.7820 -30.7820 -30.7764 -30.7764 -18.4711 -18.4711 -18.4441 -18.4441 -18.1068 -18.1068 -18.0733 -18.0733 -18.0649 -18.0649 -18.0485 -18.0485 0.7610 0.7610 3.6123 3.6123 4.1128 4.1128 4.1636 4.1636 4.2714 4.2714 4.4542 4.4542 4.5437 4.5437 4.8527 4.8527 4.9211 4.9211 5.2453 5.2453 5.4432 5.4432 5.4927 5.4927 6.3062 6.3062 k = 0.1250 0.0871-0.0000 ( 8597 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6331 -40.6331 -40.6305 -40.6305 -37.2557 -37.2557 -37.2501 -37.2501 -30.8315 -30.8315 -30.8207 -30.8207 -30.7819 -30.7819 -30.7764 -30.7764 -18.4708 -18.4708 -18.4444 -18.4444 -18.1065 -18.1065 -18.0739 -18.0739 -18.0644 -18.0644 -18.0486 -18.0486 0.7827 0.7827 3.5812 3.5812 4.1050 4.1050 4.1402 4.1402 4.2595 4.2595 4.4207 4.4207 4.5370 4.5370 4.8840 4.8840 4.9420 4.9420 5.2240 5.2240 5.4180 5.4180 5.5068 5.5068 6.3670 6.3670 k = 0.1429 0.0996-0.0000 ( 8597 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6331 -40.6331 -40.6305 -40.6305 -37.2556 -37.2556 -37.2502 -37.2502 -30.8314 -30.8314 -30.8208 -30.8208 -30.7818 -30.7818 -30.7765 -30.7765 -18.4704 -18.4704 -18.4447 -18.4447 -18.1062 -18.1062 -18.0745 -18.0745 -18.0640 -18.0640 -18.0487 -18.0487 0.8076 0.8076 3.5435 3.5435 4.0953 4.0953 4.1141 4.1141 4.2470 4.2470 4.3891 4.3891 4.5315 4.5315 4.9153 4.9153 4.9651 4.9651 5.2022 5.2022 5.3986 5.3986 5.5211 5.5211 6.4172 6.4172 k = 0.1607 0.1120-0.0000 ( 8601 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6331 -40.6331 -40.6305 -40.6305 -37.2555 -37.2555 -37.2503 -37.2503 -30.8312 -30.8312 -30.8210 -30.8210 -30.7818 -30.7818 -30.7766 -30.7766 -18.4701 -18.4701 -18.4451 -18.4451 -18.1058 -18.1058 -18.0752 -18.0752 -18.0635 -18.0635 -18.0489 -18.0489 0.8358 0.8358 3.4988 3.4988 4.0833 4.0833 4.0859 4.0859 4.2345 4.2345 4.3600 4.3600 4.5277 4.5277 4.9462 4.9462 4.9904 4.9904 5.1813 5.1813 5.3841 5.3841 5.5351 5.5351 6.4531 6.4531 k = 0.1786 0.1245-0.0000 ( 8602 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6330 -40.6330 -40.6306 -40.6306 -37.2555 -37.2555 -37.2503 -37.2503 -30.8311 -30.8311 -30.8211 -30.8211 -30.7817 -30.7817 -30.7767 -30.7767 -18.4697 -18.4697 -18.4455 -18.4455 -18.1053 -18.1053 -18.0759 -18.0759 -18.0631 -18.0631 -18.0491 -18.0491 0.8673 0.8673 3.4471 3.4471 4.0566 4.0566 4.0692 4.0692 4.2223 4.2223 4.3335 4.3335 4.5259 4.5259 4.9760 4.9760 5.0175 5.0175 5.1625 5.1625 5.3738 5.3738 5.5484 5.5484 6.4735 6.4735 k = 0.1964 0.1369-0.0000 ( 8590 PWs) bands (ev): -69.2623 -69.2623 -69.2614 -69.2614 -40.6330 -40.6330 -40.6306 -40.6306 -37.2554 -37.2554 -37.2504 -37.2504 -30.8309 -30.8309 -30.8213 -30.8213 -30.7816 -30.7816 -30.7767 -30.7767 -18.4692 -18.4692 -18.4460 -18.4460 -18.1048 -18.1048 -18.0767 -18.0767 -18.0626 -18.0626 -18.0493 -18.0493 0.9019 0.9019 3.3883 3.3883 4.0272 4.0272 4.0528 4.0528 4.2109 4.2109 4.3097 4.3097 4.5262 4.5262 5.0035 5.0035 5.0461 5.0461 5.1472 5.1472 5.3673 5.3673 5.5608 5.5608 6.4807 6.4807 k = 0.2143 0.1494-0.0000 ( 8606 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6330 -40.6330 -40.6307 -40.6307 -37.2553 -37.2553 -37.2505 -37.2505 -30.8307 -30.8307 -30.8215 -30.8215 -30.7815 -30.7815 -30.7768 -30.7768 -18.4688 -18.4688 -18.4465 -18.4465 -18.1043 -18.1043 -18.0774 -18.0774 -18.0621 -18.0621 -18.0495 -18.0495 0.9398 0.9398 3.3227 3.3227 3.9985 3.9985 4.0346 4.0346 4.2003 4.2003 4.2884 4.2884 4.5288 4.5288 5.0260 5.0260 5.0761 5.0761 5.1373 5.1373 5.3647 5.3647 5.5720 5.5720 6.4782 6.4782 k = 0.2321 0.1618-0.0000 ( 8606 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6329 -40.6329 -40.6307 -40.6307 -37.2551 -37.2551 -37.2506 -37.2506 -30.8305 -30.8305 -30.8217 -30.8217 -30.7814 -30.7814 -30.7769 -30.7769 -18.4683 -18.4683 -18.4470 -18.4470 -18.1038 -18.1038 -18.0782 -18.0782 -18.0617 -18.0617 -18.0497 -18.0497 0.9808 0.9808 3.2511 3.2511 3.9712 3.9712 4.0149 4.0149 4.1906 4.1906 4.2692 4.2692 4.5335 4.5335 5.0394 5.0394 5.1071 5.1071 5.1363 5.1363 5.3664 5.3664 5.5820 5.5820 6.4687 6.4687 k = 0.2500 0.1743-0.0000 ( 8598 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6328 -40.6328 -40.6308 -40.6308 -37.2550 -37.2550 -37.2508 -37.2508 -30.8303 -30.8303 -30.8220 -30.8220 -30.7812 -30.7812 -30.7770 -30.7770 -18.4677 -18.4677 -18.4476 -18.4476 -18.1032 -18.1032 -18.0790 -18.0790 -18.0612 -18.0612 -18.0499 -18.0499 1.0250 1.0250 3.1742 3.1742 3.9456 3.9456 3.9943 3.9943 4.1818 4.1818 4.2519 4.2519 4.5403 4.5403 5.0409 5.0409 5.1389 5.1389 5.1461 5.1461 5.3730 5.3730 5.5906 5.5906 6.4537 6.4537 k = 0.2679 0.1867-0.0000 ( 8614 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6328 -40.6328 -40.6308 -40.6308 -37.2549 -37.2549 -37.2509 -37.2509 -30.8300 -30.8300 -30.8222 -30.8222 -30.7811 -30.7811 -30.7771 -30.7771 -18.4672 -18.4672 -18.4482 -18.4482 -18.1026 -18.1026 -18.0799 -18.0799 -18.0607 -18.0607 -18.0502 -18.0502 1.0722 1.0722 3.0930 3.0930 3.9219 3.9219 3.9732 3.9732 4.1738 4.1738 4.2363 4.2363 4.5491 4.5491 5.0334 5.0334 5.1628 5.1628 5.1712 5.1712 5.3849 5.3849 5.5980 5.5981 6.4342 6.4342 k = 0.2857 0.1992-0.0000 ( 8602 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6327 -40.6327 -40.6309 -40.6309 -37.2548 -37.2548 -37.2510 -37.2510 -30.8298 -30.8298 -30.8225 -30.8225 -30.7810 -30.7810 -30.7773 -30.7773 -18.4666 -18.4666 -18.4488 -18.4488 -18.1019 -18.1019 -18.0807 -18.0807 -18.0603 -18.0603 -18.0505 -18.0505 1.1225 1.1225 3.0083 3.0083 3.9002 3.9002 3.9520 3.9520 4.1666 4.1666 4.2222 4.2222 4.5597 4.5597 5.0209 5.0209 5.1816 5.1816 5.2035 5.2035 5.4023 5.4023 5.6045 5.6045 6.4109 6.4109 k = 0.3036 0.2116-0.0000 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6327 -40.6327 -40.6309 -40.6309 -37.2546 -37.2546 -37.2511 -37.2511 -30.8295 -30.8295 -30.8227 -30.8227 -30.7808 -30.7808 -30.7774 -30.7774 -18.4659 -18.4659 -18.4494 -18.4494 -18.1012 -18.1012 -18.0816 -18.0816 -18.0598 -18.0598 -18.0507 -18.0507 1.1758 1.1758 2.9209 2.9209 3.8805 3.8805 3.9311 3.9311 4.1602 4.1602 4.2094 4.2094 4.5719 4.5719 5.0058 5.0058 5.2003 5.2003 5.2353 5.2353 5.4250 5.4250 5.6102 5.6102 6.3842 6.3842 k = 0.3214 0.2241-0.0000 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2545 -37.2545 -37.2513 -37.2513 -30.8292 -30.8292 -30.8230 -30.8230 -30.7807 -30.7807 -30.7775 -30.7775 -18.4653 -18.4653 -18.4501 -18.4501 -18.1005 -18.1005 -18.0825 -18.0825 -18.0593 -18.0593 -18.0510 -18.0510 1.2320 1.2320 2.8316 2.8316 3.8626 3.8626 3.9110 3.9110 4.1544 4.1544 4.1979 4.1979 4.5857 4.5857 4.9890 4.9890 5.2180 5.2180 5.2661 5.2661 5.4523 5.4523 5.6157 5.6157 6.3547 6.3547 k = 0.3393 0.2365-0.0000 ( 8590 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2544 -37.2544 -37.2514 -37.2514 -30.8290 -30.8290 -30.8233 -30.8233 -30.7805 -30.7805 -30.7776 -30.7776 -18.4646 -18.4646 -18.4508 -18.4508 -18.0997 -18.0997 -18.0834 -18.0834 -18.0588 -18.0588 -18.0514 -18.0514 1.2912 1.2912 2.7411 2.7411 3.8467 3.8467 3.8918 3.8918 4.1494 4.1494 4.1874 4.1874 4.6009 4.6009 4.9708 4.9708 5.2348 5.2348 5.2951 5.2951 5.4834 5.4834 5.6217 5.6217 6.3230 6.3230 k = 0.3571 0.2490-0.0000 ( 8590 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2542 -37.2542 -37.2516 -37.2516 -30.8287 -30.8287 -30.8236 -30.8236 -30.7804 -30.7804 -30.7778 -30.7778 -18.4639 -18.4639 -18.4515 -18.4515 -18.0989 -18.0989 -18.0843 -18.0843 -18.0584 -18.0584 -18.0517 -18.0517 1.3532 1.3532 2.6499 2.6499 3.8327 3.8327 3.8738 3.8738 4.1450 4.1450 4.1780 4.1780 4.6173 4.6173 4.9516 4.9516 5.2510 5.2510 5.3214 5.3214 5.5172 5.5172 5.6288 5.6288 6.2896 6.2896 k = 0.3750 0.2614-0.0000 ( 8602 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2541 -37.2541 -37.2517 -37.2517 -30.8284 -30.8284 -30.8239 -30.8239 -30.7802 -30.7802 -30.7779 -30.7779 -18.4632 -18.4632 -18.4523 -18.4523 -18.0981 -18.0981 -18.0853 -18.0853 -18.0579 -18.0579 -18.0520 -18.0520 1.4179 1.4179 2.5585 2.5585 3.8206 3.8206 3.8572 3.8572 4.1414 4.1414 4.1696 4.1696 4.6348 4.6348 4.9315 4.9315 5.2668 5.2668 5.3439 5.3439 5.5527 5.5527 5.6380 5.6380 6.2553 6.2553 k = 0.3929 0.2739-0.0000 ( 8570 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2539 -37.2539 -37.2519 -37.2519 -30.8281 -30.8281 -30.8242 -30.8242 -30.7801 -30.7801 -30.7780 -30.7780 -18.4624 -18.4624 -18.4530 -18.4530 -18.0973 -18.0973 -18.0862 -18.0862 -18.0574 -18.0574 -18.0524 -18.0524 1.4854 1.4854 2.4673 2.4673 3.8104 3.8104 3.8422 3.8422 4.1384 4.1384 4.1622 4.1622 4.6533 4.6533 4.9107 4.9107 5.2824 5.2824 5.3616 5.3616 5.5888 5.5889 5.6499 5.6499 6.2210 6.2210 k = 0.4107 0.2863-0.0000 ( 8578 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6312 -40.6312 -37.2537 -37.2537 -37.2521 -37.2521 -30.8278 -30.8278 -30.8245 -30.8245 -30.7799 -30.7799 -30.7782 -30.7782 -18.4617 -18.4617 -18.4538 -18.4538 -18.0964 -18.0964 -18.0871 -18.0871 -18.0570 -18.0570 -18.0528 -18.0528 1.5555 1.5555 2.3767 2.3767 3.8021 3.8021 3.8289 3.8289 4.1361 4.1361 4.1556 4.1557 4.6727 4.6727 4.8893 4.8893 5.2977 5.2977 5.3740 5.3740 5.6245 5.6245 5.6647 5.6647 6.1878 6.1878 k = 0.4286 0.2988-0.0000 ( 8554 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6313 -40.6313 -37.2536 -37.2536 -37.2522 -37.2522 -30.8275 -30.8275 -30.8248 -30.8248 -30.7798 -30.7798 -30.7783 -30.7783 -18.4609 -18.4609 -18.4545 -18.4545 -18.0955 -18.0955 -18.0881 -18.0881 -18.0565 -18.0565 -18.0531 -18.0531 1.6282 1.6282 2.2870 2.2870 3.7958 3.7958 3.8174 3.8174 4.1346 4.1346 4.1500 4.1500 4.6928 4.6928 4.8675 4.8675 5.3127 5.3127 5.3808 5.3808 5.6582 5.6582 5.6818 5.6818 6.1571 6.1571 k = 0.4464 0.3112-0.0000 ( 8578 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6313 -40.6313 -37.2534 -37.2534 -37.2524 -37.2524 -30.8272 -30.8272 -30.8251 -30.8251 -30.7797 -30.7797 -30.7784 -30.7784 -18.4601 -18.4601 -18.4553 -18.4553 -18.0946 -18.0946 -18.0890 -18.0890 -18.0561 -18.0561 -18.0535 -18.0535 1.7033 1.7033 2.1985 2.1985 3.7915 3.7915 3.8077 3.8077 4.1338 4.1338 4.1452 4.1452 4.7136 4.7136 4.8454 4.8454 5.3272 5.3272 5.3825 5.3825 5.6882 5.6882 5.6999 5.6999 6.1308 6.1309 k = 0.4643 0.3237-0.0000 ( 8578 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2532 -37.2532 -37.2526 -37.2526 -30.8269 -30.8269 -30.8254 -30.8254 -30.7795 -30.7795 -30.7785 -30.7785 -18.4593 -18.4593 -18.4561 -18.4561 -18.0937 -18.0937 -18.0900 -18.0900 -18.0556 -18.0556 -18.0539 -18.0539 1.7807 1.7807 2.1114 2.1114 3.7891 3.7891 3.8000 3.8000 4.1337 4.1337 4.1413 4.1413 4.7349 4.7349 4.8232 4.8232 5.3410 5.3410 5.3798 5.3798 5.7122 5.7122 5.7165 5.7165 6.1115 6.1115 k = 0.4821 0.3361-0.0000 ( 8574 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2531 -37.2531 -37.2527 -37.2527 -30.8266 -30.8266 -30.8257 -30.8257 -30.7794 -30.7794 -30.7786 -30.7786 -18.4585 -18.4585 -18.4569 -18.4569 -18.0928 -18.0928 -18.0909 -18.0909 -18.0552 -18.0552 -18.0543 -18.0543 1.8604 1.8604 2.0259 2.0259 3.7888 3.7888 3.7943 3.7943 4.1345 4.1345 4.1382 4.1382 4.7567 4.7567 4.8009 4.8009 5.3536 5.3536 5.3736 5.3736 5.7278 5.7278 5.7287 5.7287 6.1017 6.1017 k = 0.5000 0.3486-0.0000 ( 8570 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8265 -30.8265 -30.8258 -30.8258 -30.7794 -30.7794 -30.7787 -30.7787 -18.4577 -18.4577 -18.4577 -18.4577 -18.0919 -18.0919 -18.0919 -18.0919 -18.0548 -18.0548 -18.0547 -18.0547 1.9420 1.9420 1.9422 1.9422 3.7905 3.7905 3.7906 3.7906 4.1359 4.1359 4.1360 4.1360 4.7785 4.7785 4.7789 4.7789 5.3646 5.3646 5.3647 5.3647 5.7332 5.7332 5.7332 5.7332 6.1034 6.1034 k = 0.5000 0.3486-0.0000 ( 8570 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8265 -30.8265 -30.8258 -30.8258 -30.7794 -30.7794 -30.7787 -30.7787 -18.4577 -18.4577 -18.4577 -18.4577 -18.0919 -18.0919 -18.0919 -18.0919 -18.0548 -18.0548 -18.0547 -18.0547 1.9420 1.9420 1.9422 1.9422 3.7905 3.7905 3.7906 3.7906 4.1359 4.1359 4.1360 4.1360 4.7785 4.7785 4.7789 4.7789 5.3646 5.3646 5.3647 5.3647 5.7332 5.7332 5.7332 5.7332 6.1034 6.1034 k = 0.4914 0.3609 0.0150 ( 8588 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8265 -30.8265 -30.8258 -30.8258 -30.7794 -30.7794 -30.7787 -30.7787 -18.4578 -18.4577 -18.4577 -18.4577 -18.0921 -18.0921 -18.0917 -18.0917 -18.0550 -18.0549 -18.0546 -18.0546 1.9429 1.9431 1.9436 1.9438 3.7895 3.7895 3.7915 3.7916 4.1359 4.1360 4.1365 4.1366 4.7746 4.7750 4.7818 4.7822 5.3574 5.3575 5.3709 5.3710 5.7325 5.7325 5.7331 5.7331 6.0928 6.0929 k = 0.4828 0.3733 0.0301 ( 8580 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8265 -30.8265 -30.8258 -30.8258 -30.7794 -30.7794 -30.7787 -30.7787 -18.4578 -18.4578 -18.4577 -18.4577 -18.0923 -18.0923 -18.0915 -18.0915 -18.0552 -18.0551 -18.0544 -18.0544 1.9460 1.9461 1.9480 1.9481 3.7867 3.7867 3.7942 3.7942 4.1366 4.1366 4.1378 4.1378 4.7702 4.7705 4.7846 4.7849 5.3493 5.3494 5.3764 5.3764 5.7305 5.7305 5.7327 5.7327 6.0637 6.0637 k = 0.4742 0.3856 0.0451 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8265 -30.8259 -30.8258 -30.7795 -30.7794 -30.7787 -30.7787 -18.4579 -18.4578 -18.4576 -18.4576 -18.0925 -18.0925 -18.0913 -18.0913 -18.0553 -18.0553 -18.0542 -18.0542 1.9512 1.9513 1.9551 1.9552 3.7820 3.7820 3.7986 3.7986 4.1378 4.1379 4.1397 4.1397 4.7652 4.7655 4.7867 4.7871 5.3401 5.3402 5.3810 5.3811 5.7267 5.7267 5.7320 5.7320 6.0197 6.0197 k = 0.4656 0.3979 0.0602 ( 8592 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8265 -30.8259 -30.8258 -30.7795 -30.7794 -30.7788 -30.7786 -18.4579 -18.4579 -18.4576 -18.4576 -18.0927 -18.0927 -18.0910 -18.0910 -18.0555 -18.0555 -18.0540 -18.0540 1.9584 1.9584 1.9650 1.9651 3.7753 3.7753 3.8047 3.8047 4.1396 4.1397 4.1422 4.1423 4.7596 4.7600 4.7882 4.7886 5.3298 5.3299 5.3848 5.3849 5.7205 5.7205 5.7311 5.7311 5.9660 5.9660 k = 0.4570 0.4103 0.0752 ( 8608 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2528 -37.2528 -30.8266 -30.8265 -30.8259 -30.8258 -30.7795 -30.7794 -30.7788 -30.7786 -18.4580 -18.4580 -18.4575 -18.4575 -18.0930 -18.0930 -18.0908 -18.0908 -18.0557 -18.0557 -18.0539 -18.0538 1.9675 1.9675 1.9778 1.9778 3.7664 3.7664 3.8125 3.8125 4.1420 4.1421 4.1455 4.1455 4.7535 4.7539 4.7891 4.7895 5.3183 5.3183 5.3880 5.3881 5.7102 5.7102 5.7299 5.7299 5.9085 5.9085 k = 0.4484 0.4226 0.0902 ( 8592 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2528 -37.2528 -30.8266 -30.8265 -30.8259 -30.8257 -30.7795 -30.7793 -30.7788 -30.7786 -18.4582 -18.4582 -18.4574 -18.4574 -18.0932 -18.0932 -18.0906 -18.0906 -18.0559 -18.0559 -18.0537 -18.0537 1.9784 1.9785 1.9933 1.9934 3.7550 3.7550 3.8219 3.8219 4.1449 4.1450 4.1495 4.1495 4.7469 4.7472 4.7893 4.7896 5.3052 5.3053 5.3904 5.3905 5.6929 5.6929 5.7286 5.7286 5.8540 5.8540 k = 0.4398 0.4350 0.1053 ( 8588 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2528 -37.2528 -30.8267 -30.8265 -30.8258 -30.8257 -30.7795 -30.7793 -30.7788 -30.7786 -18.4583 -18.4583 -18.4573 -18.4573 -18.0934 -18.0934 -18.0904 -18.0904 -18.0561 -18.0561 -18.0535 -18.0535 1.9911 1.9911 2.0117 2.0117 3.7410 3.7410 3.8329 3.8329 4.1483 4.1483 4.1542 4.1542 4.7397 4.7400 4.7887 4.7890 5.2905 5.2906 5.3923 5.3924 5.6643 5.6644 5.7269 5.7269 5.8097 5.8098 k = 0.4312 0.4473 0.1203 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2528 -37.2528 -30.8267 -30.8265 -30.8258 -30.8257 -30.7795 -30.7793 -30.7788 -30.7786 -18.4585 -18.4585 -18.4571 -18.4571 -18.0936 -18.0936 -18.0902 -18.0902 -18.0563 -18.0563 -18.0533 -18.0533 2.0053 2.0054 2.0327 2.0328 3.7242 3.7242 3.8453 3.8453 4.1521 4.1521 4.1596 4.1596 4.7319 4.7322 4.7873 4.7877 5.2737 5.2738 5.3936 5.3937 5.6237 5.6237 5.7248 5.7248 5.7796 5.7797 k = 0.4226 0.4596 0.1354 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2527 -37.2527 -30.8267 -30.8266 -30.8258 -30.8256 -30.7795 -30.7793 -30.7788 -30.7786 -18.4587 -18.4587 -18.4570 -18.4570 -18.0939 -18.0939 -18.0900 -18.0900 -18.0565 -18.0564 -18.0532 -18.0532 2.0210 2.0210 2.0566 2.0566 3.7043 3.7043 3.8590 3.8590 4.1563 4.1563 4.1659 4.1659 4.7235 4.7238 4.7852 4.7855 5.2546 5.2547 5.3945 5.3946 5.5766 5.5767 5.7221 5.7221 5.7603 5.7604 k = 0.4140 0.4720 0.1504 ( 8578 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2527 -37.2527 -30.8268 -30.8267 -30.8257 -30.8256 -30.7796 -30.7794 -30.7787 -30.7785 -18.4589 -18.4589 -18.4568 -18.4568 -18.0941 -18.0941 -18.0897 -18.0897 -18.0566 -18.0566 -18.0530 -18.0530 2.0377 2.0378 2.0831 2.0831 3.6811 3.6811 3.8740 3.8740 4.1609 4.1609 4.1729 4.1729 4.7144 4.7148 4.7822 4.7826 5.2329 5.2330 5.3949 5.3951 5.5300 5.5301 5.7181 5.7181 5.7470 5.7472 k = 0.4054 0.4843 0.1654 ( 8576 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2532 -37.2532 -37.2526 -37.2526 -30.8269 -30.8267 -30.8256 -30.8255 -30.7796 -30.7794 -30.7787 -30.7785 -18.4591 -18.4591 -18.4566 -18.4566 -18.0944 -18.0944 -18.0895 -18.0895 -18.0568 -18.0568 -18.0529 -18.0528 2.0554 2.0554 2.1122 2.1122 3.6546 3.6546 3.8900 3.8900 4.1658 4.1658 4.1808 4.1808 4.7047 4.7050 4.7785 4.7788 5.2090 5.2090 5.3950 5.3952 5.4882 5.4882 5.7119 5.7120 5.7378 5.7379 k = 0.3968 0.4966 0.1805 ( 8568 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2532 -37.2532 -37.2526 -37.2526 -30.8269 -30.8268 -30.8255 -30.8254 -30.7796 -30.7794 -30.7787 -30.7785 -18.4593 -18.4593 -18.4564 -18.4564 -18.0946 -18.0946 -18.0893 -18.0892 -18.0569 -18.0569 -18.0527 -18.0527 2.0735 2.0735 2.1440 2.1440 3.6249 3.6249 3.9070 3.9070 4.1709 4.1709 4.1895 4.1895 4.6943 4.6946 4.7740 4.7743 5.1835 5.1836 5.3948 5.3949 5.4527 5.4528 5.7029 5.7029 5.7315 5.7316 k = 0.3882 0.5090 0.1955 ( 8572 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2533 -37.2533 -37.2525 -37.2525 -30.8270 -30.8269 -30.8255 -30.8253 -30.7797 -30.7794 -30.7786 -30.7784 -18.4596 -18.4596 -18.4562 -18.4562 -18.0949 -18.0949 -18.0890 -18.0890 -18.0571 -18.0571 -18.0526 -18.0526 2.0918 2.0918 2.1784 2.1784 3.5921 3.5921 3.9247 3.9247 4.1763 4.1763 4.1990 4.1990 4.6834 4.6837 4.7688 4.7691 5.1577 5.1578 5.3940 5.3942 5.4240 5.4240 5.6912 5.6913 5.7272 5.7273 k = 0.3796 0.5213 0.2106 ( 8584 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2533 -37.2533 -37.2525 -37.2525 -30.8271 -30.8270 -30.8254 -30.8253 -30.7797 -30.7795 -30.7786 -30.7784 -18.4599 -18.4599 -18.4560 -18.4560 -18.0952 -18.0952 -18.0888 -18.0888 -18.0573 -18.0573 -18.0524 -18.0524 2.1096 2.1096 2.2152 2.2153 3.5568 3.5568 3.9430 3.9430 4.1818 4.1818 4.2094 4.2094 4.6719 4.6722 4.7633 4.7635 5.1331 5.1331 5.3905 5.3908 5.4035 5.4036 5.6775 5.6776 5.7238 5.7239 k = 0.3710 0.5337 0.2256 ( 8574 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6313 -40.6313 -37.2534 -37.2534 -37.2524 -37.2524 -30.8272 -30.8271 -30.8253 -30.8252 -30.7797 -30.7795 -30.7785 -30.7783 -18.4602 -18.4602 -18.4557 -18.4557 -18.0955 -18.0955 -18.0885 -18.0885 -18.0574 -18.0574 -18.0523 -18.0523 2.1263 2.1263 2.2546 2.2546 3.5197 3.5197 3.9616 3.9616 4.1875 4.1875 4.2206 4.2207 4.6602 4.6605 4.7575 4.7577 5.1108 5.1108 5.3773 5.3775 5.3974 5.3974 5.6621 5.6622 5.7208 5.7208 k = 0.3624 0.5460 0.2407 ( 8592 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2534 -37.2534 -37.2524 -37.2524 -30.8274 -30.8273 -30.8252 -30.8251 -30.7798 -30.7796 -30.7785 -30.7783 -18.4605 -18.4605 -18.4555 -18.4555 -18.0958 -18.0958 -18.0882 -18.0882 -18.0576 -18.0575 -18.0522 -18.0522 2.1412 2.1412 2.2963 2.2963 3.4817 3.4818 3.9804 3.9804 4.1932 4.1932 4.2327 4.2328 4.6485 4.6487 4.7517 4.7519 5.0915 5.0915 5.3624 5.3626 5.3964 5.3965 5.6451 5.6452 5.7178 5.7178 k = 0.3538 0.5583 0.2557 ( 8598 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2535 -37.2535 -37.2523 -37.2523 -30.8275 -30.8274 -30.8250 -30.8249 -30.7798 -30.7797 -30.7784 -30.7783 -18.4608 -18.4608 -18.4552 -18.4552 -18.0961 -18.0961 -18.0879 -18.0879 -18.0577 -18.0577 -18.0521 -18.0520 2.1534 2.1534 2.3404 2.3404 3.4442 3.4442 3.9990 3.9991 4.1990 4.1990 4.2456 4.2457 4.6371 4.6373 4.7460 4.7462 5.0755 5.0755 5.3496 5.3497 5.3961 5.3962 5.6267 5.6268 5.7146 5.7146 k = 0.3452 0.5707 0.2707 ( 8598 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2535 -37.2535 -37.2522 -37.2522 -30.8276 -30.8275 -30.8249 -30.8248 -30.7799 -30.7797 -30.7784 -30.7782 -18.4611 -18.4611 -18.4549 -18.4549 -18.0964 -18.0964 -18.0876 -18.0876 -18.0578 -18.0578 -18.0519 -18.0519 2.1619 2.1619 2.3868 2.3868 3.4085 3.4085 4.0174 4.0174 4.2048 4.2048 4.2593 4.2593 4.6262 4.6264 4.7407 4.7408 5.0628 5.0628 5.3386 5.3386 5.3960 5.3961 5.6072 5.6073 5.7112 5.7112 k = 0.3366 0.5830 0.2858 ( 8606 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2536 -37.2536 -37.2522 -37.2522 -30.8277 -30.8277 -30.8248 -30.8247 -30.7800 -30.7798 -30.7783 -30.7782 -18.4615 -18.4615 -18.4546 -18.4546 -18.0967 -18.0967 -18.0873 -18.0873 -18.0580 -18.0580 -18.0518 -18.0518 2.1656 2.1656 2.4353 2.4353 3.3762 3.3762 4.0351 4.0352 4.2105 4.2106 4.2736 4.2736 4.6163 4.6165 4.7358 4.7359 5.0530 5.0530 5.3291 5.3292 5.3955 5.3957 5.5869 5.5870 5.7074 5.7075 k = 0.3280 0.5954 0.3008 ( 8610 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2537 -37.2537 -37.2521 -37.2521 -30.8279 -30.8278 -30.8247 -30.8246 -30.7800 -30.7799 -30.7782 -30.7781 -18.4618 -18.4618 -18.4543 -18.4543 -18.0971 -18.0971 -18.0870 -18.0870 -18.0581 -18.0581 -18.0517 -18.0517 2.1635 2.1635 2.4859 2.4859 3.3490 3.3490 4.0520 4.0521 4.2162 4.2163 4.2884 4.2884 4.6075 4.6077 4.7314 4.7315 5.0459 5.0459 5.3209 5.3210 5.3941 5.3943 5.5667 5.5668 5.7033 5.7033 k = 0.3194 0.6077 0.3159 ( 8591 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6312 -40.6312 -37.2538 -37.2538 -37.2520 -37.2520 -30.8280 -30.8279 -30.8245 -30.8245 -30.7801 -30.7799 -30.7782 -30.7780 -18.4622 -18.4622 -18.4540 -18.4540 -18.0974 -18.0974 -18.0867 -18.0867 -18.0582 -18.0582 -18.0516 -18.0516 2.1546 2.1546 2.5386 2.5386 3.3281 3.3282 4.0679 4.0680 4.2219 4.2219 4.3036 4.3037 4.6000 4.6001 4.7276 4.7276 5.0411 5.0412 5.3138 5.3138 5.3907 5.3908 5.5477 5.5478 5.6986 5.6987 k = 0.3108 0.6200 0.3309 ( 8595 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2519 -37.2519 -30.8281 -30.8281 -30.8244 -30.8243 -30.7801 -30.7800 -30.7781 -30.7780 -18.4626 -18.4625 -18.4536 -18.4536 -18.0978 -18.0978 -18.0864 -18.0864 -18.0583 -18.0583 -18.0515 -18.0515 2.1382 2.1382 2.5931 2.5931 3.3149 3.3149 4.0825 4.0826 4.2273 4.2274 4.3190 4.3191 4.5938 4.5939 4.7242 4.7243 5.0383 5.0383 5.3076 5.3077 5.3836 5.3837 5.5319 5.5320 5.6935 5.6936 k = 0.3108 0.6200 0.3309 ( 8595 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2519 -37.2519 -30.8281 -30.8281 -30.8244 -30.8243 -30.7801 -30.7800 -30.7781 -30.7780 -18.4626 -18.4625 -18.4536 -18.4536 -18.0978 -18.0978 -18.0864 -18.0864 -18.0583 -18.0583 -18.0515 -18.0515 2.1382 2.1382 2.5931 2.5931 3.3149 3.3149 4.0825 4.0826 4.2273 4.2274 4.3190 4.3191 4.5938 4.5939 4.7242 4.7243 5.0383 5.0383 5.3076 5.3077 5.3836 5.3837 5.5319 5.5320 5.6935 5.6936 k = 0.2913 0.6146 0.3375 ( 8594 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2539 -37.2539 -37.2519 -37.2519 -30.8282 -30.8281 -30.8243 -30.8242 -30.7802 -30.7800 -30.7780 -30.7779 -18.4627 -18.4627 -18.4534 -18.4534 -18.0979 -18.0979 -18.0862 -18.0862 -18.0584 -18.0584 -18.0514 -18.0514 2.1247 2.1247 2.6205 2.6205 3.3144 3.3144 4.0888 4.0889 4.2299 4.2300 4.3257 4.3257 4.5901 4.5902 4.7242 4.7242 5.0378 5.0378 5.3039 5.3039 5.3794 5.3795 5.5276 5.5276 5.6880 5.6880 k = 0.2719 0.6091 0.3442 ( 8601 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2539 -37.2539 -37.2519 -37.2519 -30.8283 -30.8282 -30.8242 -30.8242 -30.7802 -30.7801 -30.7780 -30.7779 -18.4630 -18.4630 -18.4532 -18.4532 -18.0982 -18.0982 -18.0860 -18.0860 -18.0585 -18.0585 -18.0514 -18.0514 2.1046 2.1046 2.6505 2.6505 3.3215 3.3215 4.0953 4.0953 4.2329 4.2330 4.3321 4.3321 4.5838 4.5839 4.7265 4.7266 5.0381 5.0381 5.2980 5.2981 5.3750 5.3750 5.5265 5.5265 5.6767 5.6768 k = 0.2525 0.6037 0.3508 ( 8598 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2540 -37.2540 -37.2518 -37.2518 -30.8284 -30.8283 -30.8241 -30.8241 -30.7802 -30.7801 -30.7780 -30.7779 -18.4632 -18.4632 -18.4530 -18.4530 -18.0984 -18.0984 -18.0857 -18.0857 -18.0586 -18.0586 -18.0513 -18.0513 2.0812 2.0812 2.6790 2.6790 3.3370 3.3370 4.1019 4.1019 4.2362 4.2363 4.3381 4.3382 4.5758 4.5758 4.7307 4.7307 5.0395 5.0395 5.2907 5.2908 5.3696 5.3696 5.5282 5.5282 5.6613 5.6613 k = 0.2331 0.5982 0.3575 ( 8594 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2540 -37.2540 -37.2518 -37.2518 -30.8285 -30.8284 -30.8240 -30.8240 -30.7803 -30.7802 -30.7779 -30.7778 -18.4634 -18.4634 -18.4528 -18.4528 -18.0986 -18.0986 -18.0854 -18.0854 -18.0587 -18.0587 -18.0512 -18.0512 2.0564 2.0564 2.7033 2.7033 3.3611 3.3611 4.1085 4.1086 4.2398 4.2399 4.3438 4.3438 4.5666 4.5666 4.7360 4.7360 5.0421 5.0421 5.2825 5.2826 5.3628 5.3628 5.5315 5.5315 5.6438 5.6438 k = 0.2136 0.5928 0.3641 ( 8601 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2541 -37.2541 -37.2517 -37.2517 -30.8286 -30.8285 -30.8239 -30.8239 -30.7803 -30.7802 -30.7779 -30.7778 -18.4637 -18.4637 -18.4526 -18.4526 -18.0989 -18.0989 -18.0851 -18.0851 -18.0589 -18.0589 -18.0511 -18.0511 2.0316 2.0316 2.7223 2.7223 3.3930 3.3930 4.1151 4.1152 4.2436 4.2437 4.3491 4.3491 4.5567 4.5567 4.7418 4.7418 5.0461 5.0461 5.2740 5.2741 5.3545 5.3545 5.5343 5.5343 5.6271 5.6271 k = 0.1942 0.5873 0.3707 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2541 -37.2541 -37.2517 -37.2517 -30.8287 -30.8286 -30.8238 -30.8238 -30.7804 -30.7803 -30.7778 -30.7777 -18.4639 -18.4639 -18.4523 -18.4523 -18.0992 -18.0992 -18.0848 -18.0848 -18.0590 -18.0590 -18.0510 -18.0510 2.0076 2.0076 2.7359 2.7359 3.4315 3.4315 4.1217 4.1217 4.2474 4.2475 4.3542 4.3542 4.5466 4.5466 4.7478 4.7478 5.0515 5.0516 5.2657 5.2657 5.3447 5.3447 5.5328 5.5328 5.6154 5.6155 k = 0.1748 0.5819 0.3774 ( 8591 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2542 -37.2542 -37.2516 -37.2516 -30.8287 -30.8287 -30.8237 -30.8237 -30.7804 -30.7803 -30.7778 -30.7777 -18.4641 -18.4641 -18.4521 -18.4521 -18.0994 -18.0994 -18.0845 -18.0845 -18.0592 -18.0592 -18.0509 -18.0509 1.9851 1.9851 2.7448 2.7448 3.4746 3.4746 4.1280 4.1281 4.2512 4.2512 4.3592 4.3592 4.5365 4.5365 4.7537 4.7537 5.0585 5.0585 5.2579 5.2579 5.3334 5.3335 5.5229 5.5230 5.6131 5.6131 k = 0.1554 0.5765 0.3840 ( 8594 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2542 -37.2542 -37.2516 -37.2516 -30.8288 -30.8288 -30.8236 -30.8236 -30.7804 -30.7804 -30.7777 -30.7777 -18.4643 -18.4643 -18.4519 -18.4519 -18.0997 -18.0997 -18.0842 -18.0842 -18.0593 -18.0593 -18.0508 -18.0508 1.9643 1.9643 2.7499 2.7499 3.5202 3.5202 4.1342 4.1343 4.2546 4.2547 4.3646 4.3646 4.5266 4.5266 4.7591 4.7591 5.0668 5.0669 5.2510 5.2510 5.3210 5.3211 5.5056 5.5057 5.6193 5.6193 k = 0.1360 0.5710 0.3907 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2543 -37.2543 -37.2515 -37.2515 -30.8289 -30.8289 -30.8236 -30.8235 -30.7805 -30.7804 -30.7777 -30.7776 -18.4645 -18.4645 -18.4517 -18.4517 -18.0999 -18.0999 -18.0840 -18.0840 -18.0595 -18.0595 -18.0507 -18.0507 1.9456 1.9456 2.7522 2.7522 3.5663 3.5663 4.1400 4.1401 4.2575 4.2576 4.3705 4.3705 4.5169 4.5169 4.7639 4.7639 5.0765 5.0765 5.2453 5.2454 5.3074 5.3075 5.4844 5.4845 5.6306 5.6306 k = 0.1165 0.5656 0.3973 ( 8600 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2543 -37.2543 -37.2515 -37.2515 -30.8290 -30.8290 -30.8235 -30.8235 -30.7805 -30.7805 -30.7776 -30.7776 -18.4647 -18.4647 -18.4515 -18.4515 -18.1001 -18.1001 -18.0837 -18.0837 -18.0596 -18.0596 -18.0506 -18.0506 1.9291 1.9291 2.7527 2.7527 3.6106 3.6106 4.1454 4.1455 4.2597 4.2598 4.3773 4.3774 4.5074 4.5074 4.7679 4.7679 5.0873 5.0874 5.2410 5.2411 5.2931 5.2932 5.4620 5.4621 5.6443 5.6443 k = 0.0971 0.5601 0.4039 ( 8606 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2543 -37.2543 -37.2515 -37.2515 -30.8290 -30.8290 -30.8234 -30.8234 -30.7806 -30.7805 -30.7776 -30.7776 -18.4649 -18.4649 -18.4514 -18.4514 -18.1003 -18.1003 -18.0835 -18.0835 -18.0598 -18.0598 -18.0505 -18.0505 1.9150 1.9150 2.7520 2.7520 3.6515 3.6516 4.1504 4.1504 4.2612 4.2613 4.3853 4.3853 4.4980 4.4980 4.7710 4.7710 5.0992 5.0992 5.2380 5.2381 5.2785 5.2787 5.4399 5.4400 5.6588 5.6588 k = 0.0777 0.5547 0.4106 ( 8614 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2543 -37.2543 -37.2514 -37.2514 -30.8291 -30.8291 -30.8234 -30.8234 -30.7806 -30.7806 -30.7776 -30.7776 -18.4650 -18.4650 -18.4512 -18.4512 -18.1004 -18.1004 -18.0833 -18.0833 -18.0599 -18.0599 -18.0504 -18.0504 1.9033 1.9033 2.7509 2.7509 3.6874 3.6874 4.1547 4.1547 4.2619 4.2620 4.3943 4.3943 4.4887 4.4887 4.7733 4.7733 5.1117 5.1117 5.2353 5.2355 5.2650 5.2651 5.4192 5.4193 5.6728 5.6729 k = 0.0583 0.5492 0.4172 ( 8620 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2544 -37.2544 -37.2514 -37.2514 -30.8291 -30.8291 -30.8233 -30.8233 -30.7806 -30.7806 -30.7776 -30.7776 -18.4651 -18.4651 -18.4511 -18.4511 -18.1005 -18.1005 -18.0832 -18.0832 -18.0600 -18.0600 -18.0504 -18.0504 1.8942 1.8942 2.7495 2.7495 3.7167 3.7167 4.1582 4.1583 4.2621 4.2622 4.4041 4.4041 4.4793 4.4793 4.7747 4.7747 5.1247 5.1247 5.2302 5.2304 5.2555 5.2557 5.4010 5.4011 5.6854 5.6854 k = 0.0388 0.5438 0.4239 ( 8629 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2544 -37.2544 -37.2514 -37.2514 -30.8292 -30.8292 -30.8233 -30.8233 -30.7806 -30.7806 -30.7776 -30.7775 -18.4652 -18.4652 -18.4511 -18.4511 -18.1006 -18.1006 -18.0831 -18.0831 -18.0600 -18.0600 -18.0503 -18.0503 1.8876 1.8876 2.7484 2.7484 3.7385 3.7385 4.1609 4.1610 4.2620 4.2620 4.4141 4.4141 4.4702 4.4702 4.7756 4.7756 5.1373 5.1374 5.2206 5.2207 5.2525 5.2526 5.3865 5.3865 5.6954 5.6954 k = 0.0194 0.5383 0.4305 ( 8627 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2544 -37.2544 -37.2514 -37.2514 -30.8292 -30.8292 -30.8233 -30.8233 -30.7806 -30.7806 -30.7775 -30.7775 -18.4652 -18.4652 -18.4510 -18.4510 -18.1007 -18.1007 -18.0830 -18.0830 -18.0601 -18.0601 -18.0503 -18.0503 1.8837 1.8837 2.7477 2.7477 3.7518 3.7518 4.1626 4.1626 4.2618 4.2618 4.4229 4.4229 4.4623 4.4623 4.7760 4.7760 5.1480 5.1480 5.2103 5.2104 5.2528 5.2528 5.3769 5.3769 5.7019 5.7019 k = 0.0000 0.5329 0.4371 ( 8628 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2544 -37.2544 -37.2514 -37.2514 -30.8292 -30.8292 -30.8233 -30.8233 -30.7806 -30.7806 -30.7775 -30.7775 -18.4652 -18.4652 -18.4510 -18.4510 -18.1007 -18.1007 -18.0830 -18.0830 -18.0601 -18.0601 -18.0503 -18.0503 1.8824 1.8824 2.7474 2.7474 3.7563 3.7563 4.1632 4.1632 4.2617 4.2617 4.4268 4.4268 4.4586 4.4586 4.7761 4.7761 5.1526 5.1526 5.2056 5.2056 5.2532 5.2532 5.3735 5.3735 5.7041 5.7041 k = 0.0000 0.5329 0.4371 ( 8628 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2544 -37.2544 -37.2514 -37.2514 -30.8292 -30.8292 -30.8233 -30.8233 -30.7806 -30.7806 -30.7775 -30.7775 -18.4652 -18.4652 -18.4510 -18.4510 -18.1007 -18.1007 -18.0830 -18.0830 -18.0601 -18.0601 -18.0503 -18.0503 1.8824 1.8824 2.7474 2.7474 3.7563 3.7563 4.1632 4.1632 4.2617 4.2617 4.4268 4.4268 4.4586 4.4586 4.7761 4.7761 5.1526 5.1526 5.2056 5.2056 5.2532 5.2532 5.3735 5.3735 5.7041 5.7041 k = 0.0089 0.5201 0.4527 ( 8622 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2544 -37.2544 -37.2514 -37.2514 -30.8292 -30.8292 -30.8233 -30.8233 -30.7806 -30.7806 -30.7775 -30.7775 -18.4652 -18.4652 -18.4510 -18.4510 -18.1007 -18.1007 -18.0830 -18.0830 -18.0601 -18.0601 -18.0503 -18.0503 1.8837 1.8837 2.7482 2.7482 3.7562 3.7562 4.1625 4.1625 4.2623 4.2623 4.4189 4.4190 4.4655 4.4656 4.7767 4.7767 5.1503 5.1504 5.2060 5.2060 5.2534 5.2535 5.3737 5.3737 5.7049 5.7049 k = 0.0179 0.5073 0.4684 ( 8622 PWs) bands (ev): -69.2623 -69.2623 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2544 -37.2544 -37.2514 -37.2514 -30.8292 -30.8292 -30.8233 -30.8233 -30.7806 -30.7806 -30.7776 -30.7775 -18.4652 -18.4652 -18.4511 -18.4511 -18.1007 -18.1007 -18.0831 -18.0831 -18.0600 -18.0600 -18.0503 -18.0503 1.8878 1.8878 2.7508 2.7508 3.7558 3.7558 4.1605 4.1605 4.2642 4.2642 4.4034 4.4035 4.4782 4.4783 4.7784 4.7784 5.1440 5.1441 5.2066 5.2067 5.2538 5.2540 5.3744 5.3744 5.7070 5.7071 k = 0.0268 0.4945 0.4840 ( 8614 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2544 -37.2544 -37.2514 -37.2514 -30.8292 -30.8292 -30.8233 -30.8233 -30.7806 -30.7806 -30.7776 -30.7775 -18.4651 -18.4651 -18.4511 -18.4511 -18.1006 -18.1006 -18.0831 -18.0831 -18.0600 -18.0600 -18.0503 -18.0503 1.8945 1.8945 2.7550 2.7550 3.7550 3.7550 4.1569 4.1570 4.2672 4.2673 4.3862 4.3863 4.4912 4.4914 4.7812 4.7812 5.1346 5.1347 5.2071 5.2072 5.2544 5.2545 5.3755 5.3755 5.7105 5.7105 k = 0.0357 0.4817 0.4996 ( 8614 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2544 -37.2544 -37.2514 -37.2514 -30.8291 -30.8291 -30.8234 -30.8233 -30.7806 -30.7806 -30.7776 -30.7775 -18.4651 -18.4651 -18.4512 -18.4512 -18.1005 -18.1005 -18.0832 -18.0832 -18.0600 -18.0600 -18.0504 -18.0503 1.9040 1.9040 2.7608 2.7608 3.7537 3.7537 4.1518 4.1518 4.2714 4.2714 4.3689 4.3690 4.5035 4.5036 4.7848 4.7849 5.1229 5.1231 5.2067 5.2069 5.2547 5.2549 5.3770 5.3771 5.7150 5.7150 k = 0.0446 0.4688 0.5152 ( 8610 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2543 -37.2543 -37.2514 -37.2514 -30.8291 -30.8291 -30.8234 -30.8234 -30.7806 -30.7805 -30.7776 -30.7776 -18.4650 -18.4650 -18.4513 -18.4513 -18.1005 -18.1005 -18.0833 -18.0833 -18.0599 -18.0599 -18.0504 -18.0504 1.9161 1.9161 2.7682 2.7682 3.7516 3.7517 4.1446 4.1446 4.2765 4.2766 4.3526 4.3527 4.5147 4.5148 4.7890 4.7891 5.1098 5.1100 5.2055 5.2056 5.2546 5.2548 5.3790 5.3790 5.7202 5.7203 k = 0.0536 0.4560 0.5308 ( 8608 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6310 -40.6310 -37.2543 -37.2543 -37.2515 -37.2515 -30.8290 -30.8290 -30.8235 -30.8234 -30.7805 -30.7805 -30.7776 -30.7776 -18.4649 -18.4649 -18.4514 -18.4514 -18.1003 -18.1003 -18.0835 -18.0835 -18.0599 -18.0599 -18.0504 -18.0504 1.9308 1.9308 2.7771 2.7771 3.7487 3.7487 4.1350 4.1351 4.2825 4.2826 4.3383 4.3384 4.5248 4.5249 4.7936 4.7937 5.0958 5.0960 5.2032 5.2033 5.2539 5.2541 5.3812 5.3813 5.7257 5.7257 k = 0.0625 0.4432 0.5464 ( 8610 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6326 -40.6326 -40.6311 -40.6310 -37.2543 -37.2543 -37.2515 -37.2515 -30.8290 -30.8290 -30.8235 -30.8235 -30.7805 -30.7805 -30.7777 -30.7776 -18.4647 -18.4647 -18.4516 -18.4516 -18.1002 -18.1002 -18.0837 -18.0837 -18.0598 -18.0598 -18.0504 -18.0504 1.9482 1.9482 2.7874 2.7874 3.7446 3.7446 4.1226 4.1227 4.2890 4.2891 4.3272 4.3272 4.5339 4.5340 4.7981 4.7982 5.0813 5.0815 5.1999 5.2000 5.2526 5.2529 5.3836 5.3836 5.7309 5.7310 k = 0.0714 0.4304 0.5620 ( 8600 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2542 -37.2542 -37.2515 -37.2515 -30.8289 -30.8289 -30.8236 -30.8235 -30.7805 -30.7804 -30.7777 -30.7776 -18.4646 -18.4646 -18.4518 -18.4518 -18.1001 -18.1001 -18.0838 -18.0838 -18.0597 -18.0597 -18.0505 -18.0505 1.9681 1.9681 2.7990 2.7990 3.7391 3.7391 4.1071 4.1072 4.2955 4.2956 4.3205 4.3205 4.5421 4.5422 4.8021 4.8022 5.0670 5.0672 5.1957 5.1959 5.2508 5.2511 5.3858 5.3858 5.7353 5.7354 k = 0.0804 0.4176 0.5776 ( 8602 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2542 -37.2542 -37.2516 -37.2516 -30.8289 -30.8288 -30.8237 -30.8236 -30.7804 -30.7804 -30.7777 -30.7777 -18.4644 -18.4644 -18.4520 -18.4520 -18.0999 -18.0999 -18.0841 -18.0841 -18.0596 -18.0596 -18.0505 -18.0505 1.9905 1.9905 2.8117 2.8118 3.7318 3.7318 4.0885 4.0885 4.3005 4.3006 4.3200 4.3201 4.5496 4.5497 4.8053 4.8054 5.0532 5.0534 5.1907 5.1909 5.2485 5.2488 5.3876 5.3877 5.7382 5.7382 k = 0.0893 0.4048 0.5933 ( 8604 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2542 -37.2542 -37.2516 -37.2516 -30.8288 -30.8288 -30.8238 -30.8237 -30.7804 -30.7803 -30.7778 -30.7777 -18.4642 -18.4642 -18.4522 -18.4522 -18.0998 -18.0998 -18.0843 -18.0843 -18.0595 -18.0595 -18.0505 -18.0505 2.0154 2.0154 2.8254 2.8254 3.7227 3.7227 4.0669 4.0670 4.3041 4.3042 4.3257 4.3258 4.5567 4.5568 4.8072 4.8073 5.0404 5.0406 5.1850 5.1851 5.2458 5.2461 5.3889 5.3890 5.7388 5.7388 k = 0.0982 0.3920 0.6089 ( 8600 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2541 -37.2541 -37.2517 -37.2517 -30.8287 -30.8287 -30.8239 -30.8238 -30.7804 -30.7803 -30.7778 -30.7777 -18.4640 -18.4640 -18.4524 -18.4524 -18.0996 -18.0996 -18.0846 -18.0845 -18.0594 -18.0594 -18.0506 -18.0506 2.0427 2.0427 2.8399 2.8399 3.7115 3.7115 4.0429 4.0430 4.3088 4.3090 4.3348 4.3349 4.5633 4.5634 4.8074 4.8075 5.0291 5.0293 5.1787 5.1789 5.2429 5.2431 5.3893 5.3894 5.7363 5.7364 k = 0.1071 0.3792 0.6245 ( 8600 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6311 -40.6311 -37.2541 -37.2541 -37.2517 -37.2517 -30.8286 -30.8286 -30.8240 -30.8239 -30.7803 -30.7802 -30.7779 -30.7778 -18.4638 -18.4638 -18.4527 -18.4527 -18.0994 -18.0994 -18.0848 -18.0848 -18.0593 -18.0593 -18.0506 -18.0506 2.0724 2.0724 2.8548 2.8548 3.6982 3.6982 4.0169 4.0170 4.3161 4.3162 4.3457 4.3458 4.5699 4.5699 4.8056 4.8057 5.0197 5.0199 5.1721 5.1723 5.2396 5.2399 5.3887 5.3888 5.7302 5.7303 k = 0.1161 0.3664 0.6401 ( 8600 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6325 -40.6325 -40.6312 -40.6312 -37.2540 -37.2540 -37.2518 -37.2518 -30.8285 -30.8285 -30.8241 -30.8240 -30.7803 -30.7802 -30.7779 -30.7778 -18.4636 -18.4636 -18.4530 -18.4530 -18.0992 -18.0992 -18.0851 -18.0851 -18.0592 -18.0592 -18.0507 -18.0507 2.1043 2.1043 2.8700 2.8700 3.6828 3.6828 3.9894 3.9894 4.3261 4.3262 4.3577 4.3578 4.5764 4.5765 4.8016 4.8017 5.0122 5.0124 5.1654 5.1655 5.2362 5.2364 5.3869 5.3870 5.7201 5.7201 k = 0.1250 0.3536 0.6557 ( 8608 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2539 -37.2539 -37.2518 -37.2518 -30.8284 -30.8284 -30.8242 -30.8241 -30.7802 -30.7801 -30.7780 -30.7779 -18.4633 -18.4633 -18.4533 -18.4533 -18.0990 -18.0990 -18.0854 -18.0854 -18.0591 -18.0591 -18.0507 -18.0507 2.1383 2.1383 2.8849 2.8849 3.6654 3.6655 3.9608 3.9608 4.3387 4.3389 4.3703 4.3704 4.5832 4.5832 4.7957 4.7957 5.0068 5.0069 5.1586 5.1587 5.2326 5.2328 5.3836 5.3837 5.7059 5.7059 k = 0.1339 0.3408 0.6713 ( 8600 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2539 -37.2539 -37.2519 -37.2519 -30.8283 -30.8283 -30.8243 -30.8242 -30.7802 -30.7800 -30.7780 -30.7779 -18.4631 -18.4631 -18.4536 -18.4536 -18.0987 -18.0987 -18.0857 -18.0857 -18.0590 -18.0590 -18.0508 -18.0508 2.1745 2.1745 2.8993 2.8993 3.6465 3.6465 3.9314 3.9314 4.3536 4.3537 4.3835 4.3836 4.5903 4.5903 4.7880 4.7881 5.0030 5.0031 5.1521 5.1522 5.2288 5.2290 5.3788 5.3789 5.6882 5.6883 k = 0.1429 0.3280 0.6869 ( 8592 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2519 -37.2519 -30.8282 -30.8281 -30.8245 -30.8244 -30.7801 -30.7800 -30.7781 -30.7779 -18.4628 -18.4628 -18.4539 -18.4539 -18.0985 -18.0985 -18.0860 -18.0860 -18.0589 -18.0589 -18.0508 -18.0508 2.2125 2.2125 2.9126 2.9126 3.6264 3.6265 3.9015 3.9015 4.3703 4.3704 4.3970 4.3971 4.5979 4.5980 4.7791 4.7792 5.0005 5.0007 5.1460 5.1461 5.2248 5.2250 5.3723 5.3725 5.6679 5.6680 k = 0.1518 0.3152 0.7025 ( 8598 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6324 -40.6324 -40.6312 -40.6312 -37.2538 -37.2538 -37.2520 -37.2520 -30.8281 -30.8280 -30.8246 -30.8245 -30.7801 -30.7799 -30.7781 -30.7780 -18.4625 -18.4625 -18.4542 -18.4542 -18.0982 -18.0982 -18.0863 -18.0863 -18.0588 -18.0588 -18.0509 -18.0509 2.2524 2.2524 2.9240 2.9240 3.6058 3.6059 3.8714 3.8714 4.3883 4.3885 4.4108 4.4109 4.6063 4.6064 4.7696 4.7696 4.9989 4.9991 5.1405 5.1406 5.2207 5.2208 5.3641 5.3642 5.6459 5.6460 k = 0.1607 0.3024 0.7181 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2537 -37.2537 -37.2521 -37.2521 -30.8280 -30.8279 -30.8247 -30.8246 -30.7800 -30.7798 -30.7782 -30.7780 -18.4622 -18.4622 -18.4546 -18.4546 -18.0980 -18.0980 -18.0866 -18.0866 -18.0587 -18.0587 -18.0509 -18.0509 2.2940 2.2940 2.9330 2.9330 3.5856 3.5856 3.8412 3.8412 4.4069 4.4071 4.4248 4.4249 4.6155 4.6156 4.7599 4.7600 4.9979 4.9980 5.1359 5.1360 5.2164 5.2165 5.3541 5.3543 5.6229 5.6229 k = 0.1696 0.2896 0.7338 ( 8594 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2536 -37.2536 -37.2521 -37.2521 -30.8278 -30.8277 -30.8249 -30.8248 -30.7800 -30.7797 -30.7783 -30.7781 -18.4618 -18.4618 -18.4549 -18.4549 -18.0977 -18.0977 -18.0869 -18.0869 -18.0586 -18.0586 -18.0510 -18.0510 2.3370 2.3370 2.9385 2.9385 3.5666 3.5666 3.8111 3.8112 4.4250 4.4252 4.4392 4.4394 4.6256 4.6256 4.7508 4.7508 4.9971 4.9973 5.1322 5.1323 5.2119 5.2119 5.3423 5.3425 5.5992 5.5993 k = 0.1786 0.2767 0.7494 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2535 -37.2535 -37.2522 -37.2522 -30.8277 -30.8276 -30.8250 -30.8249 -30.7799 -30.7797 -30.7784 -30.7781 -18.4615 -18.4615 -18.4553 -18.4553 -18.0975 -18.0975 -18.0872 -18.0872 -18.0585 -18.0585 -18.0510 -18.0510 2.3814 2.3814 2.9397 2.9397 3.5500 3.5500 3.7813 3.7814 4.4410 4.4412 4.4549 4.4551 4.6364 4.6365 4.7426 4.7426 4.9967 4.9969 5.1293 5.1294 5.2072 5.2072 5.3289 5.3291 5.5753 5.5754 k = 0.1875 0.2639 0.7650 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6323 -40.6323 -40.6313 -40.6313 -37.2535 -37.2535 -37.2523 -37.2523 -30.8276 -30.8274 -30.8252 -30.8250 -30.7798 -30.7796 -30.7784 -30.7782 -18.4612 -18.4612 -18.4557 -18.4557 -18.0972 -18.0972 -18.0875 -18.0875 -18.0584 -18.0584 -18.0511 -18.0510 2.4268 2.4268 2.9357 2.9357 3.5368 3.5369 3.7520 3.7520 4.4543 4.4545 4.4714 4.4716 4.6479 4.6479 4.7358 4.7358 4.9969 4.9971 5.1272 5.1273 5.2023 5.2024 5.3138 5.3140 5.5515 5.5516 k = 0.1964 0.2511 0.7806 ( 8582 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6313 -40.6313 -37.2534 -37.2534 -37.2524 -37.2524 -30.8274 -30.8273 -30.8253 -30.8252 -30.7798 -30.7795 -30.7785 -30.7782 -18.4608 -18.4608 -18.4561 -18.4561 -18.0970 -18.0970 -18.0878 -18.0878 -18.0583 -18.0583 -18.0511 -18.0511 2.4731 2.4731 2.9258 2.9258 3.5280 3.5280 3.7232 3.7232 4.4654 4.4656 4.4874 4.4877 4.6595 4.6595 4.7308 4.7308 4.9984 4.9985 5.1253 5.1254 5.1975 5.1976 5.2972 5.2975 5.5284 5.5286 k = 0.2054 0.2383 0.7962 ( 8584 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2533 -37.2533 -37.2525 -37.2525 -30.8273 -30.8271 -30.8255 -30.8253 -30.7797 -30.7794 -30.7786 -30.7783 -18.4604 -18.4604 -18.4564 -18.4564 -18.0968 -18.0968 -18.0880 -18.0880 -18.0583 -18.0582 -18.0511 -18.0511 2.5199 2.5199 2.9097 2.9097 3.5240 3.5241 3.6951 3.6952 4.4749 4.4751 4.5016 4.5019 4.6707 4.6707 4.7275 4.7275 5.0017 5.0019 5.1228 5.1231 5.1929 5.1931 5.2796 5.2799 5.5070 5.5072 k = 0.2143 0.2255 0.8118 ( 8584 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2532 -37.2532 -37.2525 -37.2525 -30.8272 -30.8270 -30.8257 -30.8254 -30.7797 -30.7793 -30.7787 -30.7783 -18.4601 -18.4601 -18.4568 -18.4568 -18.0966 -18.0966 -18.0883 -18.0883 -18.0582 -18.0582 -18.0512 -18.0511 2.5669 2.5669 2.8874 2.8874 3.5252 3.5253 3.6680 3.6681 4.4829 4.4830 4.5133 4.5135 4.6812 4.6813 4.7256 4.7256 5.0079 5.0080 5.1188 5.1190 5.1891 5.1893 5.2617 5.2620 5.4883 5.4885 k = 0.2232 0.2127 0.8274 ( 8576 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2526 -37.2526 -30.8271 -30.8268 -30.8258 -30.8255 -30.7797 -30.7793 -30.7787 -30.7783 -18.4597 -18.4597 -18.4572 -18.4572 -18.0965 -18.0965 -18.0884 -18.0884 -18.0582 -18.0581 -18.0512 -18.0512 2.6137 2.6137 2.8594 2.8594 3.5314 3.5314 3.6421 3.6422 4.4892 4.4894 4.5220 4.5223 4.6908 4.6909 4.7242 4.7243 5.0174 5.0175 5.1117 5.1120 5.1868 5.1870 5.2447 5.2450 5.4732 5.4734 k = 0.2321 0.1999 0.8430 ( 8572 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2527 -37.2527 -30.8270 -30.8267 -30.8260 -30.8256 -30.7796 -30.7792 -30.7788 -30.7784 -18.4593 -18.4593 -18.4576 -18.4576 -18.0964 -18.0964 -18.0886 -18.0886 -18.0581 -18.0581 -18.0512 -18.0512 2.6598 2.6598 2.8263 2.8263 3.5419 3.5420 3.6177 3.6177 4.4940 4.4941 4.5279 4.5283 4.6994 4.6995 4.7223 4.7224 5.0302 5.0303 5.1009 5.1011 5.1864 5.1866 5.2302 5.2305 5.4622 5.4623 k = 0.2411 0.1871 0.8587 ( 8576 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2528 -37.2528 -30.8269 -30.8265 -30.8261 -30.8257 -30.7796 -30.7791 -30.7789 -30.7784 -18.4590 -18.4590 -18.4579 -18.4579 -18.0963 -18.0963 -18.0886 -18.0886 -18.0581 -18.0581 -18.0512 -18.0512 2.7047 2.7047 2.7892 2.7892 3.5564 3.5564 3.5951 3.5951 4.4969 4.4970 4.5313 4.5317 4.7070 4.7071 4.7192 4.7193 5.0450 5.0451 5.0871 5.0873 5.1875 5.1877 5.2199 5.2202 5.4555 5.4557 k = 0.2500 0.1743 0.8743 ( 8576 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8269 -30.8264 -30.8262 -30.8257 -30.7796 -30.7791 -30.7789 -30.7784 -18.4588 -18.4588 -18.4581 -18.4581 -18.0963 -18.0963 -18.0887 -18.0887 -18.0581 -18.0581 -18.0512 -18.0512 2.7429 2.7430 2.7533 2.7535 3.5715 3.5715 3.5772 3.5773 4.4979 4.4980 4.5324 4.5328 4.7117 4.7120 4.7160 4.7160 5.0549 5.0549 5.0774 5.0777 5.1884 5.1886 5.2159 5.2163 5.4533 5.4535 k = 0.2500 0.1743 0.8743 ( 8576 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8269 -30.8264 -30.8262 -30.8257 -30.7796 -30.7791 -30.7789 -30.7784 -18.4588 -18.4588 -18.4581 -18.4581 -18.0963 -18.0963 -18.0887 -18.0887 -18.0581 -18.0581 -18.0512 -18.0512 2.7429 2.7430 2.7533 2.7535 3.5715 3.5715 3.5772 3.5773 4.4979 4.4980 4.5324 4.5328 4.7117 4.7120 4.7160 4.7160 5.0549 5.0549 5.0774 5.0777 5.1884 5.1886 5.2159 5.2163 5.4533 5.4535 k = 0.2647 0.1845 0.8618 ( 8578 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2528 -37.2528 -30.8269 -30.8265 -30.8262 -30.8257 -30.7796 -30.7791 -30.7789 -30.7784 -18.4589 -18.4589 -18.4581 -18.4581 -18.0963 -18.0963 -18.0887 -18.0887 -18.0581 -18.0581 -18.0512 -18.0512 2.7246 2.7246 2.7709 2.7710 3.5639 3.5639 3.5855 3.5855 4.4967 4.4969 4.5307 4.5310 4.7120 4.7122 4.7185 4.7186 5.0513 5.0513 5.0815 5.0818 5.1881 5.1883 5.2171 5.2175 5.4541 5.4542 k = 0.2794 0.1948 0.8493 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2528 -37.2528 -30.8269 -30.8265 -30.8261 -30.8257 -30.7796 -30.7791 -30.7789 -30.7784 -18.4590 -18.4590 -18.4579 -18.4579 -18.0962 -18.0962 -18.0887 -18.0887 -18.0580 -18.0580 -18.0512 -18.0512 2.7036 2.7037 2.7896 2.7896 3.5556 3.5557 3.5955 3.5955 4.4933 4.4935 4.5259 4.5263 4.7145 4.7147 4.7236 4.7237 5.0442 5.0443 5.0902 5.0904 5.1878 5.1880 5.2203 5.2207 5.4563 5.4565 k = 0.2941 0.2051 0.8368 ( 8588 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2528 -37.2528 -30.8270 -30.8266 -30.8261 -30.8257 -30.7796 -30.7792 -30.7788 -30.7784 -18.4591 -18.4591 -18.4578 -18.4578 -18.0962 -18.0962 -18.0888 -18.0888 -18.0580 -18.0579 -18.0513 -18.0513 2.6844 2.6844 2.8053 2.8053 3.5488 3.5488 3.6047 3.6047 4.4876 4.4878 4.5192 4.5195 4.7193 4.7194 4.7294 4.7296 5.0372 5.0373 5.1004 5.1006 5.1883 5.1885 5.2249 5.2252 5.4597 5.4599 k = 0.3088 0.2153 0.8243 ( 8581 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2527 -37.2527 -30.8270 -30.8266 -30.8260 -30.8257 -30.7796 -30.7792 -30.7788 -30.7784 -18.4592 -18.4592 -18.4577 -18.4577 -18.0961 -18.0961 -18.0889 -18.0889 -18.0579 -18.0578 -18.0514 -18.0514 2.6672 2.6672 2.8179 2.8179 3.5433 3.5434 3.6126 3.6126 4.4799 4.4800 4.5114 4.5117 4.7248 4.7250 4.7348 4.7350 5.0319 5.0320 5.1112 5.1114 5.1904 5.1905 5.2303 5.2306 5.4640 5.4641 k = 0.3235 0.2256 0.8118 ( 8585 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2527 -37.2527 -30.8270 -30.8267 -30.8260 -30.8257 -30.7796 -30.7792 -30.7788 -30.7784 -18.4594 -18.4593 -18.4576 -18.4576 -18.0961 -18.0961 -18.0890 -18.0890 -18.0577 -18.0577 -18.0515 -18.0515 2.6522 2.6522 2.8275 2.8275 3.5394 3.5394 3.6190 3.6191 4.4707 4.4708 4.5035 4.5037 4.7297 4.7298 4.7389 4.7391 5.0291 5.0293 5.1220 5.1222 5.1946 5.1948 5.2362 5.2365 5.4688 5.4689 k = 0.3382 0.2358 0.7993 ( 8582 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2527 -37.2527 -30.8270 -30.8267 -30.8259 -30.8256 -30.7796 -30.7792 -30.7788 -30.7784 -18.4594 -18.4594 -18.4575 -18.4575 -18.0959 -18.0959 -18.0891 -18.0891 -18.0576 -18.0575 -18.0516 -18.0516 2.6395 2.6395 2.8340 2.8340 3.5368 3.5368 3.6238 3.6238 4.4606 4.4607 4.4958 4.4959 4.7320 4.7321 4.7417 4.7418 5.0295 5.0297 5.1324 5.1326 5.2014 5.2015 5.2425 5.2428 5.4736 5.4738 k = 0.3529 0.2461 0.7868 ( 8575 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2527 -37.2527 -30.8270 -30.8268 -30.8259 -30.8256 -30.7796 -30.7793 -30.7787 -30.7784 -18.4595 -18.4595 -18.4574 -18.4574 -18.0958 -18.0958 -18.0893 -18.0893 -18.0574 -18.0574 -18.0517 -18.0517 2.6291 2.6291 2.8375 2.8375 3.5356 3.5356 3.6267 3.6267 4.4503 4.4504 4.4883 4.4884 4.7299 4.7301 4.7434 4.7435 5.0336 5.0337 5.1419 5.1421 5.2106 5.2107 5.2491 5.2494 5.4781 5.4783 k = 0.3676 0.2563 0.7743 ( 8572 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2527 -37.2527 -30.8270 -30.8268 -30.8259 -30.8256 -30.7796 -30.7793 -30.7787 -30.7784 -18.4595 -18.4595 -18.4574 -18.4574 -18.0957 -18.0957 -18.0895 -18.0895 -18.0572 -18.0572 -18.0519 -18.0519 2.6213 2.6213 2.8380 2.8380 3.5356 3.5357 3.6278 3.6279 4.4403 4.4403 4.4812 4.4813 4.7236 4.7238 4.7432 4.7434 5.0414 5.0415 5.1506 5.1507 5.2214 5.2215 5.2562 5.2565 5.4819 5.4820 k = 0.3824 0.2666 0.7618 ( 8566 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2527 -37.2527 -30.8270 -30.8268 -30.8259 -30.8256 -30.7796 -30.7793 -30.7787 -30.7784 -18.4595 -18.4595 -18.4574 -18.4574 -18.0955 -18.0955 -18.0897 -18.0897 -18.0570 -18.0570 -18.0520 -18.0520 2.6161 2.6161 2.8352 2.8352 3.5370 3.5371 3.6273 3.6273 4.4308 4.4309 4.4745 4.4747 4.7136 4.7139 4.7407 4.7409 5.0528 5.0529 5.1584 5.1585 5.2327 5.2328 5.2640 5.2642 5.4845 5.4846 k = 0.3971 0.2768 0.7493 ( 8568 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2527 -37.2527 -30.8270 -30.8268 -30.8259 -30.8257 -30.7795 -30.7793 -30.7787 -30.7784 -18.4595 -18.4595 -18.4574 -18.4574 -18.0953 -18.0953 -18.0899 -18.0899 -18.0568 -18.0567 -18.0522 -18.0522 2.6134 2.6134 2.8290 2.8290 3.5397 3.5397 3.6252 3.6252 4.4221 4.4223 4.4684 4.4686 4.7007 4.7010 4.7356 4.7358 5.0674 5.0675 5.1655 5.1655 5.2434 5.2435 5.2725 5.2727 5.4857 5.4858 k = 0.4118 0.2871 0.7368 ( 8574 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2527 -37.2527 -30.8269 -30.8268 -30.8259 -30.8257 -30.7795 -30.7793 -30.7787 -30.7785 -18.4594 -18.4594 -18.4575 -18.4575 -18.0951 -18.0951 -18.0901 -18.0901 -18.0566 -18.0566 -18.0524 -18.0524 2.6135 2.6135 2.8193 2.8193 3.5435 3.5436 3.6218 3.6219 4.4142 4.4143 4.4630 4.4632 4.6855 4.6858 4.7280 4.7282 5.0844 5.0845 5.1719 5.1719 5.2529 5.2531 5.2815 5.2816 5.4855 5.4856 k = 0.4265 0.2973 0.7243 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2531 -37.2531 -37.2527 -37.2527 -30.8269 -30.8267 -30.8259 -30.8257 -30.7795 -30.7793 -30.7787 -30.7785 -18.4593 -18.4593 -18.4575 -18.4575 -18.0949 -18.0949 -18.0904 -18.0904 -18.0564 -18.0564 -18.0525 -18.0525 2.6163 2.6163 2.8057 2.8057 3.5486 3.5486 3.6175 3.6175 4.4068 4.4070 4.4585 4.4587 4.6687 4.6690 4.7184 4.7185 5.1031 5.1032 5.1775 5.1775 5.2614 5.2616 5.2904 5.2905 5.4842 5.4843 k = 0.4412 0.3076 0.7118 ( 8582 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2527 -37.2527 -30.8269 -30.8267 -30.8259 -30.8257 -30.7795 -30.7793 -30.7787 -30.7785 -18.4592 -18.4592 -18.4576 -18.4576 -18.0948 -18.0948 -18.0905 -18.0905 -18.0562 -18.0562 -18.0527 -18.0527 2.6218 2.6218 2.7881 2.7881 3.5547 3.5548 3.6126 3.6126 4.4000 4.4002 4.4549 4.4552 4.6509 4.6511 4.7071 4.7072 5.1224 5.1225 5.1820 5.1821 5.2694 5.2696 5.2986 5.2987 5.4823 5.4824 k = 0.4559 0.3178 0.6993 ( 8583 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2527 -37.2527 -30.8268 -30.8266 -30.8260 -30.8258 -30.7795 -30.7793 -30.7787 -30.7785 -18.4590 -18.4590 -18.4578 -18.4578 -18.0946 -18.0946 -18.0907 -18.0907 -18.0561 -18.0561 -18.0528 -18.0528 2.6300 2.6300 2.7662 2.7662 3.5620 3.5620 3.6075 3.6076 4.3934 4.3936 4.4523 4.4526 4.6326 4.6328 4.6947 4.6949 5.1413 5.1414 5.1852 5.1853 5.2772 5.2774 5.3063 5.3065 5.4803 5.4804 k = 0.4706 0.3281 0.6868 ( 8581 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2530 -37.2530 -37.2528 -37.2528 -30.8268 -30.8266 -30.8260 -30.8258 -30.7795 -30.7793 -30.7787 -30.7785 -18.4589 -18.4589 -18.4579 -18.4579 -18.0945 -18.0945 -18.0908 -18.0908 -18.0561 -18.0561 -18.0528 -18.0528 2.6409 2.6409 2.7398 2.7398 3.5700 3.5701 3.6030 3.6030 4.3870 4.3872 4.4505 4.4508 4.6143 4.6146 4.6818 4.6820 5.1585 5.1586 5.1867 5.1868 5.2848 5.2851 5.3143 5.3144 5.4787 5.4788 k = 0.4853 0.3383 0.6743 ( 8566 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2528 -37.2528 -30.8268 -30.8265 -30.8260 -30.8258 -30.7795 -30.7792 -30.7787 -30.7785 -18.4587 -18.4587 -18.4581 -18.4581 -18.0944 -18.0944 -18.0908 -18.0908 -18.0561 -18.0561 -18.0528 -18.0528 2.6542 2.6543 2.7092 2.7092 3.5783 3.5784 3.5999 3.6000 4.3806 4.3808 4.4492 4.4495 4.5968 4.5970 4.6689 4.6691 5.1729 5.1730 5.1863 5.1863 5.2919 5.2922 5.3236 5.3238 5.4783 5.4784 k = 0.5000 0.3486 0.6618 ( 8556 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8265 -30.8261 -30.8258 -30.7795 -30.7792 -30.7787 -30.7785 -18.4585 -18.4585 -18.4582 -18.4582 -18.0944 -18.0944 -18.0908 -18.0908 -18.0561 -18.0561 -18.0528 -18.0528 2.6639 2.6640 2.6801 2.6803 3.5845 3.5846 3.6010 3.6011 4.3742 4.3744 4.4478 4.4481 4.5803 4.5806 4.6569 4.6571 5.1810 5.1812 5.1865 5.1866 5.2981 5.2984 5.3349 5.3351 5.4799 5.4801 k = 0.5000 0.3486 0.6618 ( 8556 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8265 -30.8261 -30.8258 -30.7795 -30.7792 -30.7787 -30.7785 -18.4585 -18.4585 -18.4582 -18.4582 -18.0944 -18.0944 -18.0908 -18.0908 -18.0561 -18.0561 -18.0528 -18.0528 2.6639 2.6640 2.6801 2.6803 3.5845 3.5846 3.6010 3.6011 4.3742 4.3744 4.4478 4.4481 4.5803 4.5806 4.6569 4.6571 5.1810 5.1812 5.1865 5.1866 5.2981 5.2984 5.3349 5.3351 5.4799 5.4801 k = 0.5000 0.3486 0.6397 ( 8548 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8265 -30.8261 -30.8258 -30.7795 -30.7792 -30.7788 -30.7785 -18.4585 -18.4585 -18.4582 -18.4582 -18.0945 -18.0945 -18.0906 -18.0906 -18.0563 -18.0563 -18.0527 -18.0527 2.6443 2.6445 2.6613 2.6615 3.5922 3.5923 3.6097 3.6097 4.3624 4.3627 4.4437 4.4440 4.5550 4.5553 4.6379 4.6381 5.1811 5.1813 5.1965 5.1966 5.3076 5.3079 5.3547 5.3549 5.4869 5.4870 k = 0.5000 0.3486 0.6177 ( 8562 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8265 -30.8261 -30.8258 -30.7795 -30.7792 -30.7788 -30.7785 -18.4585 -18.4585 -18.4581 -18.4581 -18.0947 -18.0947 -18.0904 -18.0904 -18.0564 -18.0564 -18.0526 -18.0526 2.6224 2.6225 2.6398 2.6400 3.6014 3.6015 3.6196 3.6197 4.3501 4.3503 4.4358 4.4361 4.5362 4.5364 4.6216 4.6218 5.1812 5.1814 5.2073 5.2074 5.3160 5.3163 5.3713 5.3716 5.4972 5.4973 k = 0.5000 0.3486 0.5956 ( 8570 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8265 -30.8261 -30.8258 -30.7795 -30.7792 -30.7788 -30.7785 -18.4585 -18.4585 -18.4581 -18.4581 -18.0947 -18.0947 -18.0902 -18.0902 -18.0566 -18.0566 -18.0525 -18.0525 2.5980 2.5982 2.6157 2.6158 3.6120 3.6121 3.6308 3.6308 4.3373 4.3375 4.4229 4.4231 4.5253 4.5255 4.6082 4.6084 5.1812 5.1814 5.2188 5.2189 5.3236 5.3239 5.3849 5.3852 5.5109 5.5111 k = 0.5000 0.3486 0.5736 ( 8578 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8265 -30.8261 -30.8258 -30.7795 -30.7792 -30.7788 -30.7785 -18.4585 -18.4585 -18.4581 -18.4581 -18.0948 -18.0948 -18.0901 -18.0901 -18.0567 -18.0567 -18.0524 -18.0524 2.5714 2.5716 2.5891 2.5893 3.6239 3.6239 3.6430 3.6430 4.3243 4.3244 4.4056 4.4058 4.5220 4.5221 4.5976 4.5978 5.1812 5.1813 5.2313 5.2314 5.3304 5.3307 5.3959 5.3962 5.5275 5.5276 k = 0.5000 0.3486 0.5515 ( 8592 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8265 -30.8261 -30.8258 -30.7795 -30.7792 -30.7788 -30.7785 -18.4585 -18.4585 -18.4581 -18.4581 -18.0949 -18.0949 -18.0900 -18.0900 -18.0569 -18.0568 -18.0524 -18.0524 2.5428 2.5430 2.5603 2.5604 3.6367 3.6368 3.6560 3.6561 4.3112 4.3114 4.3860 4.3861 4.5245 4.5245 4.5900 4.5902 5.1810 5.1812 5.2448 5.2449 5.3367 5.3370 5.4052 5.4056 5.5460 5.5461 k = 0.5000 0.3486 0.5294 ( 8588 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8265 -30.8261 -30.8258 -30.7795 -30.7792 -30.7788 -30.7785 -18.4585 -18.4585 -18.4580 -18.4580 -18.0949 -18.0949 -18.0898 -18.0898 -18.0570 -18.0569 -18.0523 -18.0523 2.5124 2.5126 2.5295 2.5297 3.6503 3.6503 3.6696 3.6697 4.2982 4.2984 4.3656 4.3657 4.5312 4.5312 4.5853 4.5855 5.1809 5.1810 5.2593 5.2594 5.3427 5.3430 5.4138 5.4141 5.5657 5.5658 k = 0.5000 0.3486 0.5074 ( 8578 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8264 -30.8261 -30.8257 -30.7795 -30.7792 -30.7788 -30.7785 -18.4585 -18.4584 -18.4580 -18.4580 -18.0949 -18.0949 -18.0897 -18.0897 -18.0570 -18.0570 -18.0523 -18.0523 2.4806 2.4807 2.4971 2.4973 3.6642 3.6643 3.6835 3.6835 4.2856 4.2857 4.3455 4.3456 4.5412 4.5412 4.5833 4.5835 5.1808 5.1809 5.2749 5.2749 5.3488 5.3491 5.4223 5.4226 5.5858 5.5860 k = 0.5000 0.3486 0.4853 ( 8570 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8264 -30.8261 -30.8257 -30.7795 -30.7792 -30.7788 -30.7785 -18.4584 -18.4584 -18.4580 -18.4579 -18.0949 -18.0949 -18.0896 -18.0896 -18.0571 -18.0571 -18.0523 -18.0523 2.4475 2.4476 2.4635 2.4636 3.6782 3.6782 3.6972 3.6973 4.2733 4.2734 4.3261 4.3262 4.5539 4.5540 4.5840 4.5843 5.1808 5.1809 5.2912 5.2913 5.3553 5.3556 5.4311 5.4314 5.6061 5.6062 k = 0.5000 0.3486 0.4633 ( 8568 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8264 -30.8261 -30.8257 -30.7795 -30.7792 -30.7788 -30.7785 -18.4584 -18.4584 -18.4579 -18.4579 -18.0949 -18.0949 -18.0896 -18.0896 -18.0572 -18.0571 -18.0523 -18.0523 2.4135 2.4137 2.4288 2.4290 3.6919 3.6919 3.7106 3.7106 4.2614 4.2616 4.3078 4.3079 4.5692 4.5693 4.5873 4.5876 5.1811 5.1812 5.3079 5.3080 5.3631 5.3634 5.4409 5.4412 5.6260 5.6261 k = 0.5000 0.3486 0.4412 ( 8574 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8264 -30.8261 -30.8257 -30.7796 -30.7792 -30.7788 -30.7785 -18.4584 -18.4584 -18.4579 -18.4579 -18.0949 -18.0949 -18.0895 -18.0895 -18.0572 -18.0572 -18.0523 -18.0523 2.3791 2.3792 2.3936 2.3937 3.7050 3.7050 3.7233 3.7233 4.2501 4.2502 4.2906 4.2907 4.5865 4.5866 4.5930 4.5932 5.1819 5.1820 5.3239 5.3240 5.3734 5.3737 5.4517 5.4520 5.6453 5.6455 k = 0.5000 0.3486 0.4191 ( 8582 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8264 -30.8261 -30.8257 -30.7796 -30.7792 -30.7788 -30.7785 -18.4583 -18.4583 -18.4579 -18.4579 -18.0949 -18.0949 -18.0895 -18.0895 -18.0572 -18.0572 -18.0523 -18.0523 2.3443 2.3445 2.3580 2.3582 3.7172 3.7173 3.7350 3.7351 4.2392 4.2394 4.2745 4.2746 4.6007 4.6010 4.6055 4.6057 5.1833 5.1834 5.3376 5.3378 5.3882 5.3884 5.4639 5.4642 5.6641 5.6642 k = 0.5000 0.3486 0.3971 ( 8594 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8264 -30.8261 -30.8257 -30.7796 -30.7792 -30.7789 -30.7785 -18.4583 -18.4583 -18.4578 -18.4578 -18.0948 -18.0948 -18.0895 -18.0895 -18.0572 -18.0572 -18.0523 -18.0523 2.3097 2.3099 2.3226 2.3227 3.7285 3.7286 3.7457 3.7458 4.2289 4.2291 4.2595 4.2596 4.6103 4.6106 4.6258 4.6260 5.1856 5.1858 5.3482 5.3484 5.4084 5.4086 5.4777 5.4780 5.6821 5.6822 k = 0.5000 0.3486 0.3750 ( 8602 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8264 -30.8261 -30.8257 -30.7796 -30.7792 -30.7789 -30.7785 -18.4583 -18.4583 -18.4578 -18.4578 -18.0948 -18.0948 -18.0895 -18.0895 -18.0572 -18.0572 -18.0524 -18.0524 2.2754 2.2756 2.2875 2.2876 3.7387 3.7387 3.7552 3.7553 4.2192 4.2193 4.2456 4.2456 4.6213 4.6216 4.6469 4.6471 5.1891 5.1892 5.3563 5.3565 5.4337 5.4339 5.4932 5.4934 5.6994 5.6996 k = 0.5000 0.3486 0.3530 ( 8614 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8264 -30.8261 -30.8257 -30.7796 -30.7792 -30.7789 -30.7785 -18.4583 -18.4583 -18.4578 -18.4578 -18.0947 -18.0947 -18.0895 -18.0895 -18.0572 -18.0572 -18.0525 -18.0524 2.2418 2.2420 2.2530 2.2532 3.7477 3.7477 3.7634 3.7635 4.2099 4.2100 4.2326 4.2327 4.6334 4.6337 4.6680 4.6683 5.1939 5.1940 5.3628 5.3630 5.4632 5.4634 5.5105 5.5107 5.7149 5.7150 k = 0.5000 0.3486 0.3309 ( 8618 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8264 -30.8260 -30.8257 -30.7796 -30.7793 -30.7789 -30.7785 -18.4582 -18.4582 -18.4578 -18.4578 -18.0946 -18.0946 -18.0895 -18.0895 -18.0571 -18.0571 -18.0525 -18.0525 2.2091 2.2092 2.2195 2.2196 3.7555 3.7555 3.7704 3.7705 4.2011 4.2012 4.2207 4.2207 4.6462 4.6465 4.6887 4.6889 5.2002 5.2003 5.3683 5.3685 5.4962 5.4963 5.5297 5.5299 5.7199 5.7200 k = 0.5000 0.3486 0.3088 ( 8626 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6315 -40.6315 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8264 -30.8260 -30.8257 -30.7796 -30.7793 -30.7789 -30.7786 -18.4582 -18.4582 -18.4578 -18.4578 -18.0945 -18.0945 -18.0896 -18.0896 -18.0570 -18.0570 -18.0526 -18.0526 2.1775 2.1776 2.1871 2.1872 3.7621 3.7622 3.7762 3.7763 4.1929 4.1930 4.2096 4.2097 4.6592 4.6596 4.7082 4.7084 5.2081 5.2082 5.3732 5.3734 5.5321 5.5322 5.5508 5.5510 5.7252 5.7253 k = 0.5000 0.3486 0.2868 ( 8622 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6315 -40.6315 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8264 -30.8260 -30.8257 -30.7796 -30.7793 -30.7789 -30.7786 -18.4582 -18.4581 -18.4577 -18.4577 -18.0943 -18.0943 -18.0897 -18.0897 -18.0570 -18.0569 -18.0527 -18.0527 2.1472 2.1474 2.1560 2.1562 3.7677 3.7678 3.7809 3.7809 4.1851 4.1852 4.1994 4.1995 4.6722 4.6725 4.7259 4.7262 5.2176 5.2177 5.3775 5.3777 5.5702 5.5703 5.5735 5.5737 5.7314 5.7315 k = 0.5000 0.3486 0.2647 ( 8606 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8264 -30.8260 -30.8257 -30.7796 -30.7793 -30.7788 -30.7786 -18.4581 -18.4581 -18.4577 -18.4577 -18.0942 -18.0942 -18.0898 -18.0898 -18.0568 -18.0568 -18.0528 -18.0528 2.1185 2.1187 2.1265 2.1267 3.7724 3.7725 3.7845 3.7846 4.1779 4.1780 4.1901 4.1901 4.6848 4.6852 4.7416 4.7419 5.2286 5.2287 5.3812 5.3814 5.5973 5.5975 5.6091 5.6092 5.7395 5.7396 k = 0.5000 0.3486 0.2427 ( 8592 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8264 -30.8260 -30.8257 -30.7795 -30.7793 -30.7788 -30.7786 -18.4581 -18.4581 -18.4577 -18.4577 -18.0940 -18.0940 -18.0899 -18.0899 -18.0567 -18.0567 -18.0529 -18.0529 2.0915 2.0917 2.0988 2.0989 3.7762 3.7763 3.7873 3.7874 4.1712 4.1713 4.1815 4.1816 4.6969 4.6972 4.7549 4.7552 5.2407 5.2408 5.3844 5.3845 5.6215 5.6216 5.6461 5.6462 5.7521 5.7522 k = 0.5000 0.3486 0.2206 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8264 -30.8260 -30.8257 -30.7795 -30.7793 -30.7788 -30.7786 -18.4580 -18.4580 -18.4577 -18.4577 -18.0939 -18.0939 -18.0900 -18.0900 -18.0566 -18.0566 -18.0530 -18.0530 2.0664 2.0666 2.0729 2.0731 3.7792 3.7793 3.7894 3.7895 4.1650 4.1651 4.1738 4.1738 4.7082 4.7085 4.7656 4.7660 5.2536 5.2536 5.3869 5.3870 5.6448 5.6449 5.6764 5.6765 5.7735 5.7736 k = 0.5000 0.3486 0.1985 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8264 -30.8259 -30.8257 -30.7795 -30.7793 -30.7788 -30.7786 -18.4580 -18.4580 -18.4577 -18.4577 -18.0937 -18.0937 -18.0901 -18.0901 -18.0564 -18.0564 -18.0532 -18.0532 2.0433 2.0435 2.0491 2.0493 3.7817 3.7818 3.7908 3.7909 4.1594 4.1595 4.1667 4.1668 4.7187 4.7190 4.7740 4.7744 5.2669 5.2670 5.3887 5.3888 5.6661 5.6662 5.6963 5.6964 5.8067 5.8068 k = 0.5000 0.3486 0.1765 ( 8590 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8264 -30.8259 -30.8257 -30.7795 -30.7793 -30.7788 -30.7786 -18.4580 -18.4580 -18.4577 -18.4577 -18.0935 -18.0935 -18.0903 -18.0903 -18.0563 -18.0563 -18.0533 -18.0533 2.0223 2.0225 2.0274 2.0276 3.7836 3.7837 3.7918 3.7919 4.1544 4.1544 4.1605 4.1605 4.7283 4.7286 4.7802 4.7806 5.2803 5.2803 5.3896 5.3898 5.6843 5.6843 5.7080 5.7081 5.8487 5.8487 k = 0.5000 0.3486 0.1544 ( 8578 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8264 -30.8259 -30.8257 -30.7795 -30.7793 -30.7788 -30.7786 -18.4579 -18.4579 -18.4577 -18.4577 -18.0933 -18.0933 -18.0905 -18.0905 -18.0561 -18.0561 -18.0535 -18.0535 2.0036 2.0038 2.0081 2.0082 3.7852 3.7853 3.7923 3.7924 4.1499 4.1500 4.1549 4.1550 4.7371 4.7374 4.7845 4.7848 5.2934 5.2935 5.3898 5.3899 5.6989 5.6989 5.7154 5.7154 5.8946 5.8947 k = 0.5000 0.3486 0.1324 ( 8590 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8264 -30.8259 -30.8257 -30.7795 -30.7793 -30.7788 -30.7786 -18.4579 -18.4579 -18.4577 -18.4577 -18.0931 -18.0931 -18.0906 -18.0906 -18.0559 -18.0559 -18.0537 -18.0536 1.9873 1.9874 1.9910 1.9912 3.7864 3.7865 3.7924 3.7926 4.1460 4.1461 4.1501 4.1502 4.7450 4.7454 4.7870 4.7873 5.3060 5.3061 5.3890 5.3892 5.7102 5.7102 5.7205 5.7205 5.9467 5.9479 k = 0.5000 0.3486 0.1103 ( 8594 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8265 -30.8259 -30.8258 -30.7795 -30.7793 -30.7788 -30.7786 -18.4579 -18.4579 -18.4577 -18.4577 -18.0929 -18.0929 -18.0908 -18.0908 -18.0558 -18.0557 -18.0538 -18.0538 1.9733 1.9735 1.9765 1.9766 3.7873 3.7874 3.7924 3.7925 4.1427 4.1428 4.1460 4.1461 4.7522 4.7526 4.7881 4.7884 5.3179 5.3180 5.3874 5.3875 5.7186 5.7186 5.7243 5.7244 5.9848 5.9848 k = 0.5000 0.3486 0.0882 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8265 -30.8259 -30.8258 -30.7795 -30.7794 -30.7788 -30.7786 -18.4578 -18.4578 -18.4577 -18.4577 -18.0927 -18.0927 -18.0910 -18.0910 -18.0556 -18.0555 -18.0540 -18.0540 1.9619 1.9621 1.9644 1.9645 3.7881 3.7882 3.7922 3.7923 4.1401 4.1401 4.1426 4.1426 4.7587 4.7591 4.7879 4.7883 5.3291 5.3292 5.3848 5.3849 5.7246 5.7247 5.7274 5.7274 6.0204 6.0204 k = 0.5000 0.3486 0.0662 ( 8596 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8265 -30.8259 -30.8258 -30.7795 -30.7794 -30.7787 -30.7787 -18.4578 -18.4578 -18.4577 -18.4577 -18.0925 -18.0925 -18.0912 -18.0912 -18.0554 -18.0554 -18.0542 -18.0542 1.9530 1.9532 1.9549 1.9550 3.7888 3.7889 3.7918 3.7920 4.1380 4.1381 4.1399 4.1399 4.7646 4.7649 4.7867 4.7871 5.3394 5.3394 5.3812 5.3813 5.7288 5.7288 5.7298 5.7298 6.0523 6.0525 k = 0.5000 0.3486 0.0441 ( 8594 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8265 -30.8258 -30.8258 -30.7794 -30.7794 -30.7787 -30.7787 -18.4578 -18.4578 -18.4577 -18.4577 -18.0923 -18.0923 -18.0915 -18.0914 -18.0552 -18.0552 -18.0544 -18.0544 1.9467 1.9469 1.9480 1.9481 3.7894 3.7895 3.7914 3.7915 4.1367 4.1367 4.1379 4.1379 4.7698 4.7702 4.7847 4.7851 5.3487 5.3488 5.3766 5.3767 5.7314 5.7314 5.7316 5.7316 6.0782 6.0785 k = 0.5000 0.3486 0.0221 ( 8582 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8265 -30.8265 -30.8258 -30.8258 -30.7794 -30.7794 -30.7787 -30.7787 -18.4578 -18.4577 -18.4577 -18.4577 -18.0921 -18.0921 -18.0917 -18.0917 -18.0550 -18.0550 -18.0546 -18.0546 1.9431 1.9432 1.9437 1.9438 3.7899 3.7901 3.7910 3.7911 4.1360 4.1360 4.1365 4.1366 4.7745 4.7748 4.7819 4.7823 5.3572 5.3572 5.3711 5.3712 5.7327 5.7328 5.7328 5.7328 6.0960 6.0966 k = 0.5000 0.3486-0.0000 ( 8570 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8265 -30.8265 -30.8258 -30.8258 -30.7794 -30.7794 -30.7787 -30.7787 -18.4577 -18.4577 -18.4577 -18.4577 -18.0919 -18.0919 -18.0919 -18.0919 -18.0548 -18.0548 -18.0547 -18.0547 1.9420 1.9420 1.9422 1.9422 3.7905 3.7905 3.7906 3.7906 4.1359 4.1359 4.1360 4.1360 4.7785 4.7785 4.7789 4.7789 5.3646 5.3646 5.3647 5.3647 5.7332 5.7332 5.7332 5.7332 6.1034 6.1034 k = 0.0000 0.0000 0.8743 ( 8554 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6321 -40.6321 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8266 -30.8266 -30.8259 -30.8259 -30.7793 -30.7793 -30.7786 -30.7786 -18.4585 -18.4585 -18.4585 -18.4585 -18.0928 -18.0928 -18.0928 -18.0928 -18.0543 -18.0543 -18.0543 -18.0543 2.7458 2.7458 2.7459 2.7459 3.5682 3.5682 3.5682 3.5682 4.4419 4.4419 4.4422 4.4422 4.8506 4.8506 4.8509 4.8509 5.1170 5.1170 5.1171 5.1171 5.1942 5.1942 5.1945 5.1945 5.5083 5.5084 k = 0.0179 0.0124 0.8743 ( 8574 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8266 -30.8260 -30.8259 -30.7794 -30.7793 -30.7787 -30.7786 -18.4585 -18.4585 -18.4584 -18.4584 -18.0932 -18.0932 -18.0924 -18.0924 -18.0547 -18.0547 -18.0539 -18.0539 2.7452 2.7454 2.7464 2.7465 3.5679 3.5680 3.5686 3.5686 4.4417 4.4420 4.4434 4.4437 4.8467 4.8470 4.8520 4.8523 5.1158 5.1159 5.1159 5.1159 5.1926 5.1928 5.1964 5.1966 5.4977 5.4978 k = 0.0357 0.0249 0.8743 ( 8582 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8267 -30.8266 -30.8260 -30.8259 -30.7794 -30.7793 -30.7787 -30.7786 -18.4585 -18.4585 -18.4584 -18.4584 -18.0936 -18.0936 -18.0920 -18.0920 -18.0551 -18.0551 -18.0536 -18.0536 2.7447 2.7449 2.7471 2.7472 3.5678 3.5679 3.5691 3.5692 4.4426 4.4429 4.4460 4.4464 4.8406 4.8409 4.8508 4.8511 5.1124 5.1124 5.1124 5.1126 5.1916 5.1918 5.1990 5.1992 5.4885 5.4886 k = 0.0536 0.0373 0.8743 ( 8594 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8266 -30.8261 -30.8259 -30.7794 -30.7793 -30.7787 -30.7786 -18.4586 -18.4586 -18.4584 -18.4584 -18.0940 -18.0940 -18.0916 -18.0915 -18.0555 -18.0555 -18.0532 -18.0532 2.7443 2.7445 2.7478 2.7479 3.5679 3.5680 3.5698 3.5698 4.4446 4.4449 4.4500 4.4503 4.8325 4.8328 4.8466 4.8469 5.1071 5.1071 5.1076 5.1078 5.1910 5.1912 5.2017 5.2020 5.4807 5.4808 k = 0.0714 0.0498 0.8743 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8266 -30.8261 -30.8259 -30.7795 -30.7792 -30.7788 -30.7785 -18.4586 -18.4586 -18.4583 -18.4583 -18.0944 -18.0944 -18.0911 -18.0911 -18.0558 -18.0558 -18.0529 -18.0529 2.7440 2.7441 2.7485 2.7486 3.5681 3.5681 3.5706 3.5706 4.4478 4.4480 4.4551 4.4554 4.8225 4.8228 4.8396 4.8398 5.1005 5.1005 5.1021 5.1023 5.1907 5.1909 5.2043 5.2046 5.4743 5.4744 k = 0.0893 0.0622 0.8743 ( 8584 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8265 -30.8261 -30.8258 -30.7795 -30.7792 -30.7788 -30.7785 -18.4587 -18.4586 -18.4583 -18.4583 -18.0947 -18.0947 -18.0907 -18.0907 -18.0562 -18.0562 -18.0526 -18.0526 2.7437 2.7438 2.7492 2.7494 3.5684 3.5685 3.5714 3.5715 4.4519 4.4522 4.4614 4.4617 4.8110 4.8112 4.8295 4.8298 5.0933 5.0933 5.0966 5.0968 5.1905 5.1907 5.2068 5.2071 5.4691 5.4692 k = 0.1071 0.0747 0.8743 ( 8592 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8268 -30.8265 -30.8261 -30.8258 -30.7795 -30.7792 -30.7788 -30.7785 -18.4587 -18.4587 -18.4583 -18.4583 -18.0950 -18.0950 -18.0903 -18.0903 -18.0566 -18.0566 -18.0523 -18.0523 2.7434 2.7436 2.7499 2.7501 3.5688 3.5688 3.5723 3.5724 4.4570 4.4572 4.4689 4.4692 4.7982 4.7984 4.8169 4.8171 5.0860 5.0861 5.0915 5.0918 5.1903 5.1905 5.2089 5.2092 5.4651 5.4652 k = 0.1250 0.0871 0.8743 ( 8590 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8269 -30.8265 -30.8262 -30.8258 -30.7795 -30.7792 -30.7788 -30.7785 -18.4587 -18.4587 -18.4582 -18.4582 -18.0953 -18.0953 -18.0900 -18.0900 -18.0569 -18.0569 -18.0521 -18.0521 2.7433 2.7434 2.7506 2.7508 3.5692 3.5693 3.5733 3.5733 4.4628 4.4630 4.4774 4.4777 4.7845 4.7848 4.8019 4.8022 5.0791 5.0792 5.0873 5.0875 5.1900 5.1902 5.2107 5.2110 5.4619 5.4620 k = 0.1429 0.0996 0.8743 ( 8586 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8269 -30.8265 -30.8262 -30.8258 -30.7796 -30.7792 -30.7788 -30.7785 -18.4587 -18.4587 -18.4582 -18.4582 -18.0956 -18.0956 -18.0897 -18.0897 -18.0572 -18.0572 -18.0518 -18.0518 2.7431 2.7433 2.7513 2.7514 3.5697 3.5698 3.5742 3.5742 4.4692 4.4694 4.4867 4.4870 4.7705 4.7707 4.7855 4.7857 5.0729 5.0729 5.0839 5.0842 5.1897 5.1899 5.2122 5.2125 5.4593 5.4595 k = 0.1607 0.1120 0.8743 ( 8584 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8269 -30.8265 -30.8262 -30.8258 -30.7796 -30.7791 -30.7789 -30.7784 -18.4588 -18.4587 -18.4582 -18.4582 -18.0958 -18.0958 -18.0894 -18.0894 -18.0575 -18.0574 -18.0516 -18.0516 2.7430 2.7432 2.7519 2.7520 3.5701 3.5702 3.5750 3.5751 4.4758 4.4760 4.4967 4.4970 4.7567 4.7569 4.7683 4.7685 5.0674 5.0675 5.0815 5.0818 5.1894 5.1896 5.2134 5.2137 5.4574 5.4575 k = 0.1786 0.1245 0.8743 ( 8592 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8269 -30.8265 -30.8262 -30.8257 -30.7796 -30.7791 -30.7789 -30.7784 -18.4588 -18.4588 -18.4582 -18.4582 -18.0959 -18.0959 -18.0891 -18.0891 -18.0577 -18.0577 -18.0515 -18.0515 2.7430 2.7431 2.7524 2.7525 3.5706 3.5707 3.5758 3.5758 4.4824 4.4826 4.5068 4.5071 4.7438 4.7440 4.7514 4.7516 5.0630 5.0630 5.0797 5.0801 5.1891 5.1893 5.2143 5.2147 5.4559 5.4560 k = 0.1964 0.1369 0.8743 ( 8600 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8269 -30.8265 -30.8262 -30.8257 -30.7796 -30.7791 -30.7789 -30.7784 -18.4588 -18.4588 -18.4582 -18.4582 -18.0961 -18.0961 -18.0889 -18.0889 -18.0579 -18.0579 -18.0514 -18.0514 2.7429 2.7431 2.7528 2.7529 3.5709 3.5710 3.5764 3.5764 4.4885 4.4887 4.5164 4.5168 4.7325 4.7326 4.7359 4.7361 5.0594 5.0595 5.0786 5.0789 5.1888 5.1890 5.2151 5.2154 5.4547 5.4549 k = 0.2143 0.1494 0.8743 ( 8584 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8269 -30.8264 -30.8262 -30.8257 -30.7796 -30.7791 -30.7789 -30.7784 -18.4588 -18.4588 -18.4581 -18.4581 -18.0962 -18.0962 -18.0888 -18.0888 -18.0580 -18.0580 -18.0513 -18.0513 2.7429 2.7431 2.7531 2.7532 3.5712 3.5713 3.5769 3.5769 4.4934 4.4936 4.5246 4.5250 4.7232 4.7235 4.7236 4.7238 5.0569 5.0569 5.0779 5.0782 5.1886 5.1887 5.2156 5.2159 5.4539 5.4541 k = 0.2321 0.1618 0.8743 ( 8580 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8269 -30.8264 -30.8262 -30.8257 -30.7796 -30.7791 -30.7789 -30.7784 -18.4588 -18.4588 -18.4581 -18.4581 -18.0962 -18.0962 -18.0887 -18.0887 -18.0581 -18.0581 -18.0512 -18.0512 2.7429 2.7430 2.7533 2.7534 3.5714 3.5715 3.5771 3.5772 4.4967 4.4968 4.5303 4.5307 4.7148 4.7150 4.7179 4.7180 5.0554 5.0554 5.0775 5.0779 5.1884 5.1886 5.2158 5.2162 5.4535 5.4536 k = 0.2500 0.1743 0.8743 ( 8576 PWs) bands (ev): -69.2622 -69.2622 -69.2615 -69.2615 -40.6322 -40.6322 -40.6314 -40.6314 -37.2529 -37.2529 -37.2529 -37.2529 -30.8269 -30.8264 -30.8262 -30.8257 -30.7796 -30.7791 -30.7789 -30.7784 -18.4588 -18.4588 -18.4581 -18.4581 -18.0963 -18.0963 -18.0887 -18.0887 -18.0581 -18.0581 -18.0512 -18.0512 2.7429 2.7430 2.7533 2.7535 3.5715 3.5715 3.5772 3.5773 4.4979 4.4980 4.5324 4.5328 4.7117 4.7120 4.7160 4.7160 5.0549 5.0549 5.0774 5.0777 5.1884 5.1886 5.2159 5.2163 5.4533 5.4535 Writing output data file CaW.save init_run : 0.51s CPU 0.79s WALL ( 1 calls) electrons : 405.00s CPU 409.76s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.05s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 405.00s CPU 409.76s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.13s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.10s WALL ( 273 calls) cegterg : 376.11s CPU 379.28s WALL ( 646 calls) Called by sum_band: Called by *egterg: h_psi : 263.02s CPU 265.08s WALL ( 10148 calls) s_psi : 9.43s CPU 9.52s WALL ( 10148 calls) g_psi : 0.65s CPU 0.63s WALL ( 9229 calls) cdiaghg : 81.76s CPU 82.75s WALL ( 9502 calls) cegterg:over : 15.52s CPU 16.04s WALL ( 9229 calls) cegterg:upda : 16.31s CPU 16.12s WALL ( 9229 calls) cegterg:last : 7.05s CPU 7.10s WALL ( 1468 calls) cdiaghg:chol : 4.86s CPU 4.80s WALL ( 9502 calls) cdiaghg:inve : 3.40s CPU 3.28s WALL ( 9502 calls) cdiaghg:para : 5.18s CPU 5.23s WALL ( 19004 calls) Called by h_psi: h_psi:vloc : 241.67s CPU 243.57s WALL ( 10148 calls) h_psi:vnl : 20.62s CPU 20.75s WALL ( 10148 calls) add_vuspsi : 10.20s CPU 10.39s WALL ( 10148 calls) General routines calbec : 10.39s CPU 10.33s WALL ( 10148 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 223.86s CPU 225.76s WALL ( 1074456 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.26s CPU 0.46s WALL ( 546 calls) Parallel routines fft_scatter : 70.91s CPU 71.74s WALL ( 1074479 calls) PWSCF : 7m 9.31s CPU 7m43.34s WALL This run was terminated on: 16:50:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=