Program PWSCF v.5.4.0 starts on 12Feb2017 at 2: 1:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaBeSiO4.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 156 58 16 7797 1752 260 Max 157 59 17 7801 1786 264 Sum 5627 2089 583 280721 63655 9407 bravais-lattice index = 14 lattice parameter (alat) = 9.6610 a.u. unit-cell volume = 646.5316 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 4 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.660953 celldm(2)= 1.000000 celldm(3)= 0.999201 celldm(4)= 0.488467 celldm(5)= 0.488467 celldm(6)= 0.493143 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.493143 0.869948 0.000000 ) a(3) = ( 0.488077 0.284367 0.824208 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.566865 -0.396598 ) b(2) = ( 0.000000 1.149494 -0.396598 ) b(3) = ( 0.000000 0.000000 1.213287 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Be 4.00 9.01220 Be( 1.00) Si 4.00 28.08550 Si( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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= 329 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 2) = ( 0.0113636 0.0066208 -0.0090136), wk = 0.0030395 k( 3) = ( 0.0227273 0.0132416 -0.0180272), wk = 0.0030395 k( 4) = ( 0.0340909 0.0198623 -0.0270407), wk = 0.0030395 k( 5) = ( 0.0454546 0.0264831 -0.0360543), wk = 0.0030395 k( 6) = ( 0.0568182 0.0331039 -0.0450679), wk = 0.0030395 k( 7) = ( 0.0681818 0.0397247 -0.0540815), wk = 0.0030395 k( 8) = ( 0.0795455 0.0463454 -0.0630951), wk = 0.0030395 k( 9) = ( 0.0909091 0.0529662 -0.0721086), wk = 0.0030395 k( 10) = ( 0.1022727 0.0595870 -0.0811222), wk = 0.0030395 k( 11) = ( 0.1136364 0.0662078 -0.0901358), wk = 0.0030395 k( 12) = ( 0.1250000 0.0728286 -0.0991494), wk = 0.0030395 k( 13) = ( 0.1363636 0.0794493 -0.1081630), wk = 0.0030395 k( 14) = ( 0.1477273 0.0860701 -0.1171766), wk = 0.0030395 k( 15) = ( 0.1590909 0.0926909 -0.1261901), wk = 0.0030395 k( 16) = ( 0.1704546 0.0993117 -0.1352037), wk = 0.0030395 k( 17) = ( 0.1818182 0.1059325 -0.1442173), wk = 0.0030395 k( 18) = ( 0.1931818 0.1125532 -0.1532309), wk = 0.0030395 k( 19) = ( 0.2045454 0.1191740 -0.1622445), wk = 0.0030395 k( 20) = ( 0.2159091 0.1257948 -0.1712580), wk = 0.0030395 k( 21) = ( 0.2272727 0.1324156 -0.1802716), wk = 0.0030395 k( 22) = ( 0.2386364 0.1390364 -0.1892852), wk = 0.0030395 k( 23) = ( 0.2500000 0.1456571 -0.1982988), wk = 0.0030395 k( 24) = ( 0.2613636 0.1522779 -0.2073124), wk = 0.0030395 k( 25) = ( 0.2727273 0.1588987 -0.2163259), wk = 0.0030395 k( 26) = ( 0.2840909 0.1655195 -0.2253395), wk = 0.0030395 k( 27) = ( 0.2954545 0.1721402 -0.2343531), wk = 0.0030395 k( 28) = ( 0.3068182 0.1787610 -0.2433667), wk = 0.0030395 k( 29) = ( 0.3181818 0.1853818 -0.2523803), wk = 0.0030395 k( 30) = ( 0.3295455 0.1920026 -0.2613939), wk = 0.0030395 k( 31) = ( 0.3409091 0.1986234 -0.2704074), wk = 0.0030395 k( 32) = ( 0.3522727 0.2052441 -0.2794210), wk = 0.0030395 k( 33) = ( 0.3636364 0.2118649 -0.2884346), wk = 0.0030395 k( 34) = ( 0.3750000 0.2184857 -0.2974482), wk = 0.0030395 k( 35) = ( 0.3863636 0.2251065 -0.3064618), wk = 0.0030395 k( 36) = ( 0.3977273 0.2317273 -0.3154753), wk = 0.0030395 k( 37) = ( 0.4090909 0.2383480 -0.3244889), wk = 0.0030395 k( 38) = ( 0.4204545 0.2449688 -0.3335025), wk = 0.0030395 k( 39) = ( 0.4318182 0.2515896 -0.3425161), wk = 0.0030395 k( 40) = ( 0.4431818 0.2582104 -0.3515297), wk = 0.0030395 k( 41) = ( 0.4545455 0.2648311 -0.3605432), wk = 0.0030395 k( 42) = ( 0.4659091 0.2714519 -0.3695568), wk = 0.0030395 k( 43) = ( 0.4772727 0.2780727 -0.3785704), wk = 0.0030395 k( 44) = ( 0.4886364 0.2846935 -0.3875840), wk = 0.0030395 k( 45) = ( 0.5000000 0.2913143 -0.3965976), wk = 0.0030395 k( 46) = ( 0.5000000 0.2913143 -0.3965976), wk = 0.0030395 k( 47) = ( 0.5077740 0.2958436 -0.3834697), wk = 0.0030395 k( 48) = ( 0.5155480 0.3003730 -0.3703419), wk = 0.0030395 k( 49) = ( 0.5233220 0.3049024 -0.3572140), wk = 0.0030395 k( 50) = ( 0.5310961 0.3094317 -0.3440862), wk = 0.0030395 k( 51) = ( 0.5388701 0.3139611 -0.3309583), wk = 0.0030395 k( 52) = ( 0.5466441 0.3184904 -0.3178304), wk = 0.0030395 k( 53) = ( 0.5544181 0.3230198 -0.3047026), wk = 0.0030395 k( 54) = ( 0.5621921 0.3275492 -0.2915747), wk = 0.0030395 k( 55) = ( 0.5699661 0.3320785 -0.2784469), wk = 0.0030395 k( 56) = ( 0.5777402 0.3366079 -0.2653190), wk = 0.0030395 k( 57) = ( 0.5855142 0.3411373 -0.2521911), wk = 0.0030395 k( 58) = ( 0.5932882 0.3456666 -0.2390633), wk = 0.0030395 k( 59) = ( 0.6010622 0.3501960 -0.2259354), wk = 0.0030395 k( 60) = ( 0.6088362 0.3547254 -0.2128076), wk = 0.0030395 k( 61) = ( 0.6166102 0.3592547 -0.1996797), wk = 0.0030395 k( 62) = ( 0.6243843 0.3637841 -0.1865519), wk = 0.0030395 k( 63) = ( 0.6243843 0.3637841 -0.1865519), wk = 0.0030395 k( 64) = ( 0.6196002 0.3609968 -0.1712981), wk = 0.0030395 k( 65) = ( 0.6148162 0.3582095 -0.1560444), wk = 0.0030395 k( 66) = ( 0.6100322 0.3554222 -0.1407906), wk = 0.0030395 k( 67) = ( 0.6052482 0.3526349 -0.1255368), wk = 0.0030395 k( 68) = ( 0.6004642 0.3498476 -0.1102831), wk = 0.0030395 k( 69) = ( 0.5956802 0.3470603 -0.0950293), wk = 0.0030395 k( 70) = ( 0.5908962 0.3442730 -0.0797756), wk = 0.0030395 k( 71) = ( 0.5861122 0.3414857 -0.0645218), wk = 0.0030395 k( 72) = ( 0.5813282 0.3386984 -0.0492681), wk = 0.0030395 k( 73) = ( 0.5765442 0.3359111 -0.0340143), wk = 0.0030395 k( 74) = ( 0.5717602 0.3331238 -0.0187606), wk = 0.0030395 k( 75) = ( 0.5669761 0.3303365 -0.0035068), wk = 0.0030395 k( 76) = ( 0.5621921 0.3275492 0.0117469), wk = 0.0030395 k( 77) = ( 0.5574081 0.3247619 0.0270007), wk = 0.0030395 k( 78) = ( 0.5526241 0.3219746 0.0422544), wk = 0.0030395 k( 79) = ( 0.5478401 0.3191873 0.0575082), wk = 0.0030395 k( 80) = ( 0.5430561 0.3164000 0.0727619), wk = 0.0030395 k( 81) = ( 0.5382721 0.3136127 0.0880157), wk = 0.0030395 k( 82) = ( 0.5334881 0.3108254 0.1032694), wk = 0.0030395 k( 83) = ( 0.5287041 0.3080381 0.1185232), wk = 0.0030395 k( 84) = ( 0.5239200 0.3052508 0.1337770), wk = 0.0030395 k( 85) = ( 0.5191360 0.3024635 0.1490307), wk = 0.0030395 k( 86) = ( 0.5143520 0.2996762 0.1642845), wk = 0.0030395 k( 87) = ( 0.5095680 0.2968889 0.1795382), wk = 0.0030395 k( 88) = ( 0.5047840 0.2941016 0.1947920), wk = 0.0030395 k( 89) = ( 0.5000000 0.2913143 0.2100457), wk = 0.0030395 k( 90) = ( 0.5000000 0.2913143 0.2100457), wk = 0.0030395 k( 91) = ( 0.5079749 0.2776265 0.2100457), wk = 0.0030395 k( 92) = ( 0.5159497 0.2639388 0.2100457), wk = 0.0030395 k( 93) = ( 0.5239246 0.2502511 0.2100457), wk = 0.0030395 k( 94) = ( 0.5318994 0.2365634 0.2100457), wk = 0.0030395 k( 95) = ( 0.5398743 0.2228756 0.2100457), wk = 0.0030395 k( 96) = ( 0.5478492 0.2091879 0.2100457), wk = 0.0030395 k( 97) = ( 0.5558240 0.1955002 0.2100457), wk = 0.0030395 k( 98) = ( 0.5637989 0.1818125 0.2100457), wk = 0.0030395 k( 99) = ( 0.5717737 0.1681247 0.2100457), wk = 0.0030395 k( 100) = ( 0.5797486 0.1544370 0.2100457), wk = 0.0030395 k( 101) = ( 0.5877235 0.1407493 0.2100457), wk = 0.0030395 k( 102) = ( 0.5956983 0.1270616 0.2100457), wk = 0.0030395 k( 103) = ( 0.6036732 0.1133739 0.2100457), wk = 0.0030395 k( 104) = ( 0.6116480 0.0996861 0.2100457), wk = 0.0030395 k( 105) = ( 0.6196229 0.0859984 0.2100457), wk = 0.0030395 k( 106) = ( 0.6275977 0.0723107 0.2100457), wk = 0.0030395 k( 107) = ( 0.6355726 0.0586229 0.2100457), wk = 0.0030395 k( 108) = ( 0.6435475 0.0449352 0.2100457), wk = 0.0030395 k( 109) = ( 0.6515223 0.0312475 0.2100457), wk = 0.0030395 k( 110) = ( 0.6594972 0.0175598 0.2100457), wk = 0.0030395 k( 111) = ( 0.6674720 0.0038721 0.2100457), wk = 0.0030395 k( 112) = ( 0.6754469 -0.0098157 0.2100457), wk = 0.0030395 k( 113) = ( 0.6834218 -0.0235034 0.2100457), wk = 0.0030395 k( 114) = ( 0.6913966 -0.0371911 0.2100457), wk = 0.0030395 k( 115) = ( 0.6993715 -0.0508788 0.2100457), wk = 0.0030395 k( 116) = ( 0.7073463 -0.0645666 0.2100457), wk = 0.0030395 k( 117) = ( 0.7153212 -0.0782543 0.2100457), wk = 0.0030395 k( 118) = ( 0.7232960 -0.0919420 0.2100457), wk = 0.0030395 k( 119) = ( 0.7312709 -0.1056298 0.2100457), wk = 0.0030395 k( 120) = ( 0.7392458 -0.1193175 0.2100457), wk = 0.0030395 k( 121) = ( 0.7472206 -0.1330052 0.2100457), wk = 0.0030395 k( 122) = ( 0.2527794 -0.4338603 0.6066433), wk = 0.0030395 k( 123) = ( 0.2446252 -0.4198648 0.6066433), wk = 0.0030395 k( 124) = ( 0.2364710 -0.4058693 0.6066433), wk = 0.0030395 k( 125) = ( 0.2283169 -0.3918738 0.6066433), wk = 0.0030395 k( 126) = ( 0.2201627 -0.3778783 0.6066433), wk = 0.0030395 k( 127) = ( 0.2120085 -0.3638828 0.6066433), wk = 0.0030395 k( 128) = ( 0.2038543 -0.3498873 0.6066433), wk = 0.0030395 k( 129) = ( 0.1957002 -0.3358918 0.6066433), wk = 0.0030395 k( 130) = ( 0.1875460 -0.3218963 0.6066433), wk = 0.0030395 k( 131) = ( 0.1793918 -0.3079009 0.6066433), wk = 0.0030395 k( 132) = ( 0.1712376 -0.2939053 0.6066433), wk = 0.0030395 k( 133) = ( 0.1630835 -0.2799099 0.6066433), wk = 0.0030395 k( 134) = ( 0.1549293 -0.2659144 0.6066433), wk = 0.0030395 k( 135) = ( 0.1467751 -0.2519189 0.6066433), wk = 0.0030395 k( 136) = ( 0.1386209 -0.2379234 0.6066433), wk = 0.0030395 k( 137) = ( 0.1304668 -0.2239279 0.6066433), wk = 0.0030395 k( 138) = ( 0.1223126 -0.2099324 0.6066433), wk = 0.0030395 k( 139) = ( 0.1141584 -0.1959369 0.6066433), wk = 0.0030395 k( 140) = ( 0.1060042 -0.1819414 0.6066433), wk = 0.0030395 k( 141) = ( 0.0978501 -0.1679459 0.6066433), wk = 0.0030395 k( 142) = ( 0.0896959 -0.1539504 0.6066433), wk = 0.0030395 k( 143) = ( 0.0815417 -0.1399549 0.6066433), wk = 0.0030395 k( 144) = ( 0.0733876 -0.1259594 0.6066433), wk = 0.0030395 k( 145) = ( 0.0652334 -0.1119639 0.6066433), wk = 0.0030395 k( 146) = ( 0.0570792 -0.0979684 0.6066433), wk = 0.0030395 k( 147) = ( 0.0489250 -0.0839730 0.6066433), wk = 0.0030395 k( 148) = ( 0.0407709 -0.0699775 0.6066433), wk = 0.0030395 k( 149) = ( 0.0326167 -0.0559820 0.6066433), wk = 0.0030395 k( 150) = ( 0.0244625 -0.0419865 0.6066433), wk = 0.0030395 k( 151) = ( 0.0163083 -0.0279910 0.6066433), wk = 0.0030395 k( 152) = ( 0.0081542 -0.0139955 0.6066433), wk = 0.0030395 k( 153) = ( 0.0000000 0.0000000 0.6066433), wk = 0.0030395 k( 154) = ( 0.0000000 0.0000000 0.6066433), wk = 0.0030395 k( 155) = ( 0.0139117 0.0081053 0.6066433), wk = 0.0030395 k( 156) = ( 0.0278234 0.0162107 0.6066433), wk = 0.0030395 k( 157) = ( 0.0417351 0.0243160 0.6066433), wk = 0.0030395 k( 158) = ( 0.0556468 0.0324214 0.6066433), wk = 0.0030395 k( 159) = ( 0.0695585 0.0405267 0.6066433), wk = 0.0030395 k( 160) = ( 0.0834702 0.0486321 0.6066433), wk = 0.0030395 k( 161) = ( 0.0973819 0.0567374 0.6066433), wk = 0.0030395 k( 162) = ( 0.1112936 0.0648428 0.6066433), wk = 0.0030395 k( 163) = ( 0.1252052 0.0729482 0.6066433), wk = 0.0030395 k( 164) = ( 0.1391169 0.0810535 0.6066433), wk = 0.0030395 k( 165) = ( 0.1530286 0.0891588 0.6066433), wk = 0.0030395 k( 166) = ( 0.1669403 0.0972642 0.6066433), wk = 0.0030395 k( 167) = ( 0.1808520 0.1053695 0.6066433), wk = 0.0030395 k( 168) = ( 0.1947637 0.1134749 0.6066433), wk = 0.0030395 k( 169) = ( 0.2086754 0.1215802 0.6066433), wk = 0.0030395 k( 170) = ( 0.2225871 0.1296856 0.6066433), wk = 0.0030395 k( 171) = ( 0.2364988 0.1377909 0.6066433), wk = 0.0030395 k( 172) = ( 0.2504105 0.1458963 0.6066433), wk = 0.0030395 k( 173) = ( 0.2643222 0.1540016 0.6066433), wk = 0.0030395 k( 174) = ( 0.2782339 0.1621070 0.6066433), wk = 0.0030395 k( 175) = ( 0.2921456 0.1702123 0.6066433), wk = 0.0030395 k( 176) = ( 0.3060573 0.1783177 0.6066433), wk = 0.0030395 k( 177) = ( 0.3199690 0.1864230 0.6066433), wk = 0.0030395 k( 178) = ( 0.3338807 0.1945284 0.6066433), wk = 0.0030395 k( 179) = ( 0.3477923 0.2026337 0.6066433), wk = 0.0030395 k( 180) = ( 0.3617040 0.2107391 0.6066433), wk = 0.0030395 k( 181) = ( 0.3756157 0.2188444 0.6066433), wk = 0.0030395 k( 182) = ( 0.5000000 0.2913143 -0.3965976), wk = 0.0030395 k( 183) = ( 0.5078297 0.2778758 -0.3965976), wk = 0.0030395 k( 184) = ( 0.5156593 0.2644373 -0.3965976), wk = 0.0030395 k( 185) = ( 0.5234889 0.2509988 -0.3965976), wk = 0.0030395 k( 186) = ( 0.5313186 0.2375603 -0.3965976), wk = 0.0030395 k( 187) = ( 0.5391482 0.2241218 -0.3965976), wk = 0.0030395 k( 188) = ( 0.5469779 0.2106833 -0.3965976), wk = 0.0030395 k( 189) = ( 0.5548075 0.1972448 -0.3965976), wk = 0.0030395 k( 190) = ( 0.5626372 0.1838063 -0.3965976), wk = 0.0030395 k( 191) = ( 0.5704668 0.1703679 -0.3965976), wk = 0.0030395 k( 192) = ( 0.5782965 0.1569294 -0.3965976), wk = 0.0030395 k( 193) = ( 0.5861261 0.1434909 -0.3965976), wk = 0.0030395 k( 194) = ( 0.5939558 0.1300524 -0.3965976), wk = 0.0030395 k( 195) = ( 0.6017854 0.1166139 -0.3965976), wk = 0.0030395 k( 196) = ( 0.6096151 0.1031754 -0.3965976), wk = 0.0030395 k( 197) = ( 0.6174447 0.0897369 -0.3965976), wk = 0.0030395 k( 198) = ( 0.6252744 0.0762984 -0.3965976), wk = 0.0030395 k( 199) = ( 0.3747256 -0.6431639 -0.0000000), wk = 0.0030395 k( 200) = ( 0.3665794 -0.6291821 0.0000000), wk = 0.0030395 k( 201) = ( 0.3584332 -0.6152003 -0.0000000), wk = 0.0030395 k( 202) = ( 0.3502870 -0.6012184 0.0000000), wk = 0.0030395 k( 203) = ( 0.3421408 -0.5872366 -0.0000000), wk = 0.0030395 k( 204) = ( 0.3339946 -0.5732548 0.0000000), wk = 0.0030395 k( 205) = ( 0.3258484 -0.5592730 0.0000000), wk = 0.0030395 k( 206) = ( 0.3177022 -0.5452911 -0.0000000), wk = 0.0030395 k( 207) = ( 0.3095560 -0.5313093 -0.0000000), wk = 0.0030395 k( 208) = ( 0.3014097 -0.5173275 0.0000000), wk = 0.0030395 k( 209) = ( 0.2932635 -0.5033457 -0.0000000), wk = 0.0030395 k( 210) = ( 0.2851173 -0.4893638 0.0000000), wk = 0.0030395 k( 211) = ( 0.2769711 -0.4753820 -0.0000000), wk = 0.0030395 k( 212) = ( 0.2688249 -0.4614002 -0.0000000), wk = 0.0030395 k( 213) = ( 0.2606787 -0.4474184 -0.0000000), wk = 0.0030395 k( 214) = ( 0.2525325 -0.4334366 -0.0000000), wk = 0.0030395 k( 215) = ( 0.2443863 -0.4194547 0.0000000), wk = 0.0030395 k( 216) = ( 0.2362401 -0.4054729 0.0000000), wk = 0.0030395 k( 217) = ( 0.2280939 -0.3914911 -0.0000000), wk = 0.0030395 k( 218) = ( 0.2199477 -0.3775093 -0.0000000), wk = 0.0030395 k( 219) = ( 0.2118015 -0.3635274 -0.0000000), wk = 0.0030395 k( 220) = ( 0.2036552 -0.3495456 0.0000000), wk = 0.0030395 k( 221) = ( 0.1955090 -0.3355638 0.0000000), wk = 0.0030395 k( 222) = ( 0.1873628 -0.3215820 -0.0000000), wk = 0.0030395 k( 223) = ( 0.1792166 -0.3076001 -0.0000000), wk = 0.0030395 k( 224) = ( 0.1710704 -0.2936183 -0.0000000), wk = 0.0030395 k( 225) = ( 0.1629242 -0.2796365 0.0000000), wk = 0.0030395 k( 226) = ( 0.1547780 -0.2656547 -0.0000000), wk = 0.0030395 k( 227) = ( 0.1466318 -0.2516728 -0.0000000), wk = 0.0030395 k( 228) = ( 0.1384856 -0.2376910 0.0000000), wk = 0.0030395 k( 229) = ( 0.1303393 -0.2237092 0.0000000), wk = 0.0030395 k( 230) = ( 0.1221931 -0.2097274 0.0000000), wk = 0.0030395 k( 231) = ( 0.1140469 -0.1957455 0.0000000), wk = 0.0030395 k( 232) = ( 0.1059007 -0.1817637 -0.0000000), wk = 0.0030395 k( 233) = ( 0.0977545 -0.1677819 0.0000000), wk = 0.0030395 k( 234) = ( 0.0896083 -0.1538001 -0.0000000), wk = 0.0030395 k( 235) = ( 0.0814621 -0.1398182 0.0000000), wk = 0.0030395 k( 236) = ( 0.0733159 -0.1258364 0.0000000), wk = 0.0030395 k( 237) = ( 0.0651697 -0.1118546 -0.0000000), wk = 0.0030395 k( 238) = ( 0.0570235 -0.0978728 -0.0000000), wk = 0.0030395 k( 239) = ( 0.0488773 -0.0838909 -0.0000000), wk = 0.0030395 k( 240) = ( 0.0407310 -0.0699091 0.0000000), wk = 0.0030395 k( 241) = ( 0.0325848 -0.0559273 -0.0000000), wk = 0.0030395 k( 242) = ( 0.0244386 -0.0419455 -0.0000000), wk = 0.0030395 k( 243) = ( 0.0162924 -0.0279636 -0.0000000), wk = 0.0030395 k( 244) = ( 0.0081462 -0.0139818 -0.0000000), wk = 0.0030395 k( 245) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 246) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 247) = ( 0.0131579 -0.0074588 -0.0052184), wk = 0.0030395 k( 248) = ( 0.0263158 -0.0149175 -0.0104368), wk = 0.0030395 k( 249) = ( 0.0394737 -0.0223763 -0.0156552), wk = 0.0030395 k( 250) = ( 0.0526316 -0.0298350 -0.0208736), wk = 0.0030395 k( 251) = ( 0.0657895 -0.0372938 -0.0260919), wk = 0.0030395 k( 252) = ( 0.0789474 -0.0447525 -0.0313103), wk = 0.0030395 k( 253) = ( 0.0921053 -0.0522113 -0.0365287), wk = 0.0030395 k( 254) = ( 0.1052632 -0.0596701 -0.0417471), wk = 0.0030395 k( 255) = ( 0.1184210 -0.0671288 -0.0469655), wk = 0.0030395 k( 256) = ( 0.1315790 -0.0745876 -0.0521839), wk = 0.0030395 k( 257) = ( 0.1447368 -0.0820463 -0.0574023), wk = 0.0030395 k( 258) = ( 0.1578947 -0.0895051 -0.0626207), wk = 0.0030395 k( 259) = ( 0.1710526 -0.0969638 -0.0678391), wk = 0.0030395 k( 260) = ( 0.1842105 -0.1044226 -0.0730575), wk = 0.0030395 k( 261) = ( 0.1973684 -0.1118813 -0.0782758), wk = 0.0030395 k( 262) = ( 0.2105263 -0.1193401 -0.0834942), wk = 0.0030395 k( 263) = ( 0.2236842 -0.1267989 -0.0887126), wk = 0.0030395 k( 264) = ( 0.2368421 -0.1342576 -0.0939310), wk = 0.0030395 k( 265) = ( 0.2500000 -0.1417164 -0.0991494), wk = 0.0030395 k( 266) = ( 0.2631579 -0.1491751 -0.1043678), wk = 0.0030395 k( 267) = ( 0.2763158 -0.1566339 -0.1095862), wk = 0.0030395 k( 268) = ( 0.2894737 -0.1640926 -0.1148046), wk = 0.0030395 k( 269) = ( 0.3026316 -0.1715514 -0.1200230), wk = 0.0030395 k( 270) = ( 0.3157895 -0.1790101 -0.1252413), wk = 0.0030395 k( 271) = ( 0.3289474 -0.1864689 -0.1304597), wk = 0.0030395 k( 272) = ( 0.3421053 -0.1939277 -0.1356781), wk = 0.0030395 k( 273) = ( 0.3552632 -0.2013864 -0.1408965), wk = 0.0030395 k( 274) = ( 0.3684211 -0.2088452 -0.1461149), wk = 0.0030395 k( 275) = ( 0.3815789 -0.2163039 -0.1513333), wk = 0.0030395 k( 276) = ( 0.3947368 -0.2237627 -0.1565517), wk = 0.0030395 k( 277) = ( 0.4078947 -0.2312214 -0.1617701), wk = 0.0030395 k( 278) = ( 0.4210526 -0.2386802 -0.1669885), wk = 0.0030395 k( 279) = ( 0.4342105 -0.2461390 -0.1722068), wk = 0.0030395 k( 280) = ( 0.4473684 -0.2535977 -0.1774252), wk = 0.0030395 k( 281) = ( 0.4605263 -0.2610565 -0.1826436), wk = 0.0030395 k( 282) = ( 0.4736842 -0.2685152 -0.1878620), wk = 0.0030395 k( 283) = ( 0.4868421 -0.2759740 -0.1930804), wk = 0.0030395 k( 284) = ( 0.5000000 -0.2834327 -0.1982988), wk = 0.0030395 k( 285) = ( 0.5000000 -0.2834327 0.4083445), wk = 0.0030395 k( 286) = ( 0.4886364 -0.2769911 0.3990639), wk = 0.0030395 k( 287) = ( 0.4772727 -0.2705494 0.3897834), wk = 0.0030395 k( 288) = ( 0.4659091 -0.2641078 0.3805028), wk = 0.0030395 k( 289) = ( 0.4545455 -0.2576661 0.3712223), wk = 0.0030395 k( 290) = ( 0.4431818 -0.2512245 0.3619417), wk = 0.0030395 k( 291) = ( 0.4318182 -0.2447828 0.3526612), wk = 0.0030395 k( 292) = ( 0.4204545 -0.2383412 0.3433806), wk = 0.0030395 k( 293) = ( 0.4090909 -0.2318995 0.3341001), wk = 0.0030395 k( 294) = ( 0.3977273 -0.2254579 0.3248195), wk = 0.0030395 k( 295) = ( 0.3863636 -0.2190162 0.3155389), wk = 0.0030395 k( 296) = ( 0.3750000 -0.2125746 0.3062584), wk = 0.0030395 k( 297) = ( 0.3636364 -0.2061329 0.2969778), wk = 0.0030395 k( 298) = ( 0.3522727 -0.1996912 0.2876973), wk = 0.0030395 k( 299) = ( 0.3409091 -0.1932496 0.2784167), wk = 0.0030395 k( 300) = ( 0.3295455 -0.1868079 0.2691361), wk = 0.0030395 k( 301) = ( 0.3181818 -0.1803663 0.2598556), wk = 0.0030395 k( 302) = ( 0.3068182 -0.1739246 0.2505750), wk = 0.0030395 k( 303) = ( 0.2954545 -0.1674830 0.2412945), wk = 0.0030395 k( 304) = ( 0.2840909 -0.1610413 0.2320139), wk = 0.0030395 k( 305) = ( 0.2727273 -0.1545997 0.2227334), wk = 0.0030395 k( 306) = ( 0.2613636 -0.1481580 0.2134528), wk = 0.0030395 k( 307) = ( 0.2500000 -0.1417164 0.2041723), wk = 0.0030395 k( 308) = ( 0.2386364 -0.1352747 0.1948917), wk = 0.0030395 k( 309) = ( 0.2272727 -0.1288331 0.1856111), wk = 0.0030395 k( 310) = ( 0.2159091 -0.1223914 0.1763306), wk = 0.0030395 k( 311) = ( 0.2045454 -0.1159498 0.1670500), wk = 0.0030395 k( 312) = ( 0.1931818 -0.1095081 0.1577695), wk = 0.0030395 k( 313) = ( 0.1818182 -0.1030664 0.1484889), wk = 0.0030395 k( 314) = ( 0.1704546 -0.0966248 0.1392084), wk = 0.0030395 k( 315) = ( 0.1590909 -0.0901831 0.1299278), wk = 0.0030395 k( 316) = ( 0.1477273 -0.0837415 0.1206472), wk = 0.0030395 k( 317) = ( 0.1363636 -0.0772998 0.1113667), wk = 0.0030395 k( 318) = ( 0.1250000 -0.0708582 0.1020861), wk = 0.0030395 k( 319) = ( 0.1136364 -0.0644165 0.0928056), wk = 0.0030395 k( 320) = ( 0.1022727 -0.0579749 0.0835250), wk = 0.0030395 k( 321) = ( 0.0909091 -0.0515332 0.0742445), wk = 0.0030395 k( 322) = ( 0.0795455 -0.0450916 0.0649639), wk = 0.0030395 k( 323) = ( 0.0681818 -0.0386499 0.0556833), wk = 0.0030395 k( 324) = ( 0.0568182 -0.0322083 0.0464028), wk = 0.0030395 k( 325) = ( 0.0454546 -0.0257666 0.0371222), wk = 0.0030395 k( 326) = ( 0.0340909 -0.0193250 0.0278417), wk = 0.0030395 k( 327) = ( 0.0227273 -0.0128833 0.0185611), wk = 0.0030395 k( 328) = ( 0.0113636 -0.0064417 0.0092806), wk = 0.0030395 k( 329) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 2) = ( 0.0113636 0.0113636 0.0000000), wk = 0.0030395 k( 3) = ( 0.0227273 0.0227273 0.0000000), wk = 0.0030395 k( 4) = ( 0.0340909 0.0340909 -0.0000000), wk = 0.0030395 k( 5) = ( 0.0454546 0.0454546 0.0000000), wk = 0.0030395 k( 6) = ( 0.0568182 0.0568182 0.0000000), wk = 0.0030395 k( 7) = ( 0.0681818 0.0681818 -0.0000000), wk = 0.0030395 k( 8) = ( 0.0795455 0.0795455 0.0000000), wk = 0.0030395 k( 9) = ( 0.0909091 0.0909091 -0.0000000), wk = 0.0030395 k( 10) = ( 0.1022727 0.1022727 0.0000000), wk = 0.0030395 k( 11) = ( 0.1136364 0.1136364 0.0000000), wk = 0.0030395 k( 12) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0030395 k( 13) = ( 0.1363636 0.1363636 -0.0000000), wk = 0.0030395 k( 14) = ( 0.1477273 0.1477273 -0.0000000), wk = 0.0030395 k( 15) = ( 0.1590909 0.1590909 -0.0000000), wk = 0.0030395 k( 16) = ( 0.1704546 0.1704546 0.0000000), wk = 0.0030395 k( 17) = ( 0.1818182 0.1818182 -0.0000000), wk = 0.0030395 k( 18) = ( 0.1931818 0.1931818 0.0000000), wk = 0.0030395 k( 19) = ( 0.2045454 0.2045455 -0.0000000), wk = 0.0030395 k( 20) = ( 0.2159091 0.2159091 0.0000000), wk = 0.0030395 k( 21) = ( 0.2272727 0.2272727 0.0000000), wk = 0.0030395 k( 22) = ( 0.2386364 0.2386364 0.0000000), wk = 0.0030395 k( 23) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030395 k( 24) = ( 0.2613636 0.2613636 0.0000000), wk = 0.0030395 k( 25) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0030395 k( 26) = ( 0.2840909 0.2840909 0.0000000), wk = 0.0030395 k( 27) = ( 0.2954545 0.2954545 0.0000000), wk = 0.0030395 k( 28) = ( 0.3068182 0.3068182 0.0000000), wk = 0.0030395 k( 29) = ( 0.3181818 0.3181818 -0.0000000), wk = 0.0030395 k( 30) = ( 0.3295455 0.3295455 0.0000000), wk = 0.0030395 k( 31) = ( 0.3409091 0.3409091 0.0000000), wk = 0.0030395 k( 32) = ( 0.3522727 0.3522727 0.0000000), wk = 0.0030395 k( 33) = ( 0.3636364 0.3636364 -0.0000000), wk = 0.0030395 k( 34) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0030395 k( 35) = ( 0.3863636 0.3863636 0.0000000), wk = 0.0030395 k( 36) = ( 0.3977273 0.3977273 0.0000000), wk = 0.0030395 k( 37) = ( 0.4090909 0.4090909 0.0000000), wk = 0.0030395 k( 38) = ( 0.4204545 0.4204546 0.0000000), wk = 0.0030395 k( 39) = ( 0.4318182 0.4318182 0.0000000), wk = 0.0030395 k( 40) = ( 0.4431818 0.4431818 -0.0000000), wk = 0.0030395 k( 41) = ( 0.4545455 0.4545455 -0.0000000), wk = 0.0030395 k( 42) = ( 0.4659091 0.4659091 -0.0000000), wk = 0.0030395 k( 43) = ( 0.4772727 0.4772727 0.0000000), wk = 0.0030395 k( 44) = ( 0.4886364 0.4886364 0.0000000), wk = 0.0030395 k( 45) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030395 k( 46) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030395 k( 47) = ( 0.5077740 0.5077740 0.0159024), wk = 0.0030395 k( 48) = ( 0.5155480 0.5155480 0.0318048), wk = 0.0030395 k( 49) = ( 0.5233220 0.5233220 0.0477072), wk = 0.0030395 k( 50) = ( 0.5310961 0.5310961 0.0636096), wk = 0.0030395 k( 51) = ( 0.5388701 0.5388701 0.0795120), wk = 0.0030395 k( 52) = ( 0.5466441 0.5466441 0.0954144), wk = 0.0030395 k( 53) = ( 0.5544181 0.5544181 0.1113168), wk = 0.0030395 k( 54) = ( 0.5621921 0.5621921 0.1272192), wk = 0.0030395 k( 55) = ( 0.5699661 0.5699661 0.1431216), wk = 0.0030395 k( 56) = ( 0.5777402 0.5777402 0.1590240), wk = 0.0030395 k( 57) = ( 0.5855142 0.5855142 0.1749264), wk = 0.0030395 k( 58) = ( 0.5932882 0.5932882 0.1908288), wk = 0.0030395 k( 59) = ( 0.6010622 0.6010622 0.2067312), wk = 0.0030395 k( 60) = ( 0.6088362 0.6088362 0.2226336), wk = 0.0030395 k( 61) = ( 0.6166102 0.6166102 0.2385360), wk = 0.0030395 k( 62) = ( 0.6243843 0.6243843 0.2544384), wk = 0.0030395 k( 63) = ( 0.6243843 0.6243843 0.2544384), wk = 0.0030395 k( 64) = ( 0.6196002 0.6196003 0.2638831), wk = 0.0030395 k( 65) = ( 0.6148162 0.6148162 0.2733278), wk = 0.0030395 k( 66) = ( 0.6100322 0.6100322 0.2827724), wk = 0.0030395 k( 67) = ( 0.6052482 0.6052482 0.2922171), wk = 0.0030395 k( 68) = ( 0.6004642 0.6004642 0.3016618), wk = 0.0030395 k( 69) = ( 0.5956802 0.5956802 0.3111065), wk = 0.0030395 k( 70) = ( 0.5908962 0.5908962 0.3205512), wk = 0.0030395 k( 71) = ( 0.5861122 0.5861122 0.3299958), wk = 0.0030395 k( 72) = ( 0.5813282 0.5813282 0.3394405), wk = 0.0030395 k( 73) = ( 0.5765442 0.5765442 0.3488852), wk = 0.0030395 k( 74) = ( 0.5717602 0.5717602 0.3583299), wk = 0.0030395 k( 75) = ( 0.5669761 0.5669761 0.3677745), wk = 0.0030395 k( 76) = ( 0.5621921 0.5621921 0.3772192), wk = 0.0030395 k( 77) = ( 0.5574081 0.5574081 0.3866639), wk = 0.0030395 k( 78) = ( 0.5526241 0.5526241 0.3961086), wk = 0.0030395 k( 79) = ( 0.5478401 0.5478401 0.4055532), wk = 0.0030395 k( 80) = ( 0.5430561 0.5430561 0.4149979), wk = 0.0030395 k( 81) = ( 0.5382721 0.5382721 0.4244426), wk = 0.0030395 k( 82) = ( 0.5334881 0.5334881 0.4338873), wk = 0.0030395 k( 83) = ( 0.5287041 0.5287041 0.4433319), wk = 0.0030395 k( 84) = ( 0.5239200 0.5239200 0.4527766), wk = 0.0030395 k( 85) = ( 0.5191360 0.5191360 0.4622213), wk = 0.0030395 k( 86) = ( 0.5143520 0.5143520 0.4716660), wk = 0.0030395 k( 87) = ( 0.5095680 0.5095680 0.4811106), wk = 0.0030395 k( 88) = ( 0.5047840 0.5047840 0.4905553), wk = 0.0030395 k( 89) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030395 k( 90) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030395 k( 91) = ( 0.5079749 0.4920251 0.5000000), wk = 0.0030395 k( 92) = ( 0.5159497 0.4840503 0.5000000), wk = 0.0030395 k( 93) = ( 0.5239246 0.4760754 0.5000000), wk = 0.0030395 k( 94) = ( 0.5318994 0.4681006 0.5000000), wk = 0.0030395 k( 95) = ( 0.5398743 0.4601257 0.5000000), wk = 0.0030395 k( 96) = ( 0.5478492 0.4521508 0.5000000), wk = 0.0030395 k( 97) = ( 0.5558240 0.4441760 0.5000000), wk = 0.0030395 k( 98) = ( 0.5637989 0.4362011 0.5000000), wk = 0.0030395 k( 99) = ( 0.5717737 0.4282263 0.5000000), wk = 0.0030395 k( 100) = ( 0.5797486 0.4202514 0.5000000), wk = 0.0030395 k( 101) = ( 0.5877235 0.4122766 0.5000000), wk = 0.0030395 k( 102) = ( 0.5956983 0.4043017 0.5000000), wk = 0.0030395 k( 103) = ( 0.6036732 0.3963268 0.5000000), wk = 0.0030395 k( 104) = ( 0.6116480 0.3883520 0.5000000), wk = 0.0030395 k( 105) = ( 0.6196229 0.3803771 0.5000000), wk = 0.0030395 k( 106) = ( 0.6275977 0.3724023 0.5000000), wk = 0.0030395 k( 107) = ( 0.6355726 0.3644274 0.5000000), wk = 0.0030395 k( 108) = ( 0.6435475 0.3564525 0.5000000), wk = 0.0030395 k( 109) = ( 0.6515223 0.3484777 0.5000000), wk = 0.0030395 k( 110) = ( 0.6594972 0.3405028 0.5000000), wk = 0.0030395 k( 111) = ( 0.6674720 0.3325280 0.5000000), wk = 0.0030395 k( 112) = ( 0.6754469 0.3245531 0.5000000), wk = 0.0030395 k( 113) = ( 0.6834218 0.3165783 0.5000000), wk = 0.0030395 k( 114) = ( 0.6913966 0.3086034 0.5000000), wk = 0.0030395 k( 115) = ( 0.6993715 0.3006285 0.5000000), wk = 0.0030395 k( 116) = ( 0.7073463 0.2926537 0.5000000), wk = 0.0030395 k( 117) = ( 0.7153212 0.2846788 0.5000000), wk = 0.0030395 k( 118) = ( 0.7232960 0.2767040 0.5000000), wk = 0.0030395 k( 119) = ( 0.7312709 0.2687291 0.5000000), wk = 0.0030395 k( 120) = ( 0.7392458 0.2607542 0.5000000), wk = 0.0030395 k( 121) = ( 0.7472206 0.2527794 0.5000000), wk = 0.0030395 k( 122) = ( 0.2527794 -0.2527794 0.5000000), wk = 0.0030395 k( 123) = ( 0.2446252 -0.2446252 0.5000000), wk = 0.0030395 k( 124) = ( 0.2364710 -0.2364710 0.5000000), wk = 0.0030395 k( 125) = ( 0.2283169 -0.2283169 0.5000000), wk = 0.0030395 k( 126) = ( 0.2201627 -0.2201627 0.5000000), wk = 0.0030395 k( 127) = ( 0.2120085 -0.2120085 0.5000000), wk = 0.0030395 k( 128) = ( 0.2038543 -0.2038543 0.5000000), wk = 0.0030395 k( 129) = ( 0.1957002 -0.1957002 0.5000000), wk = 0.0030395 k( 130) = ( 0.1875460 -0.1875460 0.5000000), wk = 0.0030395 k( 131) = ( 0.1793918 -0.1793918 0.5000000), wk = 0.0030395 k( 132) = ( 0.1712376 -0.1712376 0.5000000), wk = 0.0030395 k( 133) = ( 0.1630835 -0.1630835 0.5000000), wk = 0.0030395 k( 134) = ( 0.1549293 -0.1549293 0.5000000), wk = 0.0030395 k( 135) = ( 0.1467751 -0.1467751 0.5000000), wk = 0.0030395 k( 136) = ( 0.1386209 -0.1386209 0.5000000), wk = 0.0030395 k( 137) = ( 0.1304668 -0.1304668 0.5000000), wk = 0.0030395 k( 138) = ( 0.1223126 -0.1223126 0.5000000), wk = 0.0030395 k( 139) = ( 0.1141584 -0.1141584 0.5000000), wk = 0.0030395 k( 140) = ( 0.1060042 -0.1060043 0.5000000), wk = 0.0030395 k( 141) = ( 0.0978501 -0.0978501 0.5000000), wk = 0.0030395 k( 142) = ( 0.0896959 -0.0896959 0.5000000), wk = 0.0030395 k( 143) = ( 0.0815417 -0.0815417 0.5000000), wk = 0.0030395 k( 144) = ( 0.0733876 -0.0733876 0.5000000), wk = 0.0030395 k( 145) = ( 0.0652334 -0.0652334 0.5000000), wk = 0.0030395 k( 146) = ( 0.0570792 -0.0570792 0.5000000), wk = 0.0030395 k( 147) = ( 0.0489250 -0.0489250 0.5000000), wk = 0.0030395 k( 148) = ( 0.0407709 -0.0407709 0.5000000), wk = 0.0030395 k( 149) = ( 0.0326167 -0.0326167 0.5000000), wk = 0.0030395 k( 150) = ( 0.0244625 -0.0244625 0.5000000), wk = 0.0030395 k( 151) = ( 0.0163083 -0.0163083 0.5000000), wk = 0.0030395 k( 152) = ( 0.0081542 -0.0081542 0.5000000), wk = 0.0030395 k( 153) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030395 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030395 k( 155) = ( 0.0139117 0.0139117 0.5090949), wk = 0.0030395 k( 156) = ( 0.0278234 0.0278234 0.5181898), wk = 0.0030395 k( 157) = ( 0.0417351 0.0417351 0.5272846), wk = 0.0030395 k( 158) = ( 0.0556468 0.0556468 0.5363795), wk = 0.0030395 k( 159) = ( 0.0695585 0.0695585 0.5454744), wk = 0.0030395 k( 160) = ( 0.0834702 0.0834702 0.5545692), wk = 0.0030395 k( 161) = ( 0.0973819 0.0973819 0.5636641), wk = 0.0030395 k( 162) = ( 0.1112936 0.1112936 0.5727590), wk = 0.0030395 k( 163) = ( 0.1252052 0.1252052 0.5818539), wk = 0.0030395 k( 164) = ( 0.1391169 0.1391169 0.5909487), wk = 0.0030395 k( 165) = ( 0.1530286 0.1530286 0.6000436), wk = 0.0030395 k( 166) = ( 0.1669403 0.1669403 0.6091385), wk = 0.0030395 k( 167) = ( 0.1808520 0.1808520 0.6182334), wk = 0.0030395 k( 168) = ( 0.1947637 0.1947637 0.6273282), wk = 0.0030395 k( 169) = ( 0.2086754 0.2086754 0.6364231), wk = 0.0030395 k( 170) = ( 0.2225871 0.2225871 0.6455180), wk = 0.0030395 k( 171) = ( 0.2364988 0.2364988 0.6546129), wk = 0.0030395 k( 172) = ( 0.2504105 0.2504105 0.6637077), wk = 0.0030395 k( 173) = ( 0.2643222 0.2643222 0.6728026), wk = 0.0030395 k( 174) = ( 0.2782339 0.2782339 0.6818975), wk = 0.0030395 k( 175) = ( 0.2921456 0.2921456 0.6909924), wk = 0.0030395 k( 176) = ( 0.3060573 0.3060573 0.7000872), wk = 0.0030395 k( 177) = ( 0.3199690 0.3199690 0.7091821), wk = 0.0030395 k( 178) = ( 0.3338807 0.3338807 0.7182770), wk = 0.0030395 k( 179) = ( 0.3477923 0.3477923 0.7273718), wk = 0.0030395 k( 180) = ( 0.3617040 0.3617040 0.7364667), wk = 0.0030395 k( 181) = ( 0.3756157 0.3756157 0.7455616), wk = 0.0030395 k( 182) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030395 k( 183) = ( 0.5078297 0.4921704 0.0000000), wk = 0.0030395 k( 184) = ( 0.5156593 0.4843407 -0.0000000), wk = 0.0030395 k( 185) = ( 0.5234889 0.4765111 0.0000000), wk = 0.0030395 k( 186) = ( 0.5313186 0.4686814 -0.0000000), wk = 0.0030395 k( 187) = ( 0.5391482 0.4608518 0.0000000), wk = 0.0030395 k( 188) = ( 0.5469779 0.4530221 0.0000000), wk = 0.0030395 k( 189) = ( 0.5548075 0.4451925 0.0000000), wk = 0.0030395 k( 190) = ( 0.5626372 0.4373628 0.0000000), wk = 0.0030395 k( 191) = ( 0.5704668 0.4295332 0.0000000), wk = 0.0030395 k( 192) = ( 0.5782965 0.4217035 0.0000000), wk = 0.0030395 k( 193) = ( 0.5861261 0.4138739 0.0000000), wk = 0.0030395 k( 194) = ( 0.5939558 0.4060442 0.0000000), wk = 0.0030395 k( 195) = ( 0.6017854 0.3982146 0.0000000), wk = 0.0030395 k( 196) = ( 0.6096151 0.3903849 0.0000000), wk = 0.0030395 k( 197) = ( 0.6174447 0.3825553 0.0000000), wk = 0.0030395 k( 198) = ( 0.6252744 0.3747256 0.0000000), wk = 0.0030395 k( 199) = ( 0.3747256 -0.3747256 0.0000000), wk = 0.0030395 k( 200) = ( 0.3665794 -0.3665794 0.0000000), wk = 0.0030395 k( 201) = ( 0.3584332 -0.3584332 0.0000000), wk = 0.0030395 k( 202) = ( 0.3502870 -0.3502870 0.0000000), wk = 0.0030395 k( 203) = ( 0.3421408 -0.3421408 0.0000000), wk = 0.0030395 k( 204) = ( 0.3339946 -0.3339946 0.0000000), wk = 0.0030395 k( 205) = ( 0.3258484 -0.3258484 0.0000000), wk = 0.0030395 k( 206) = ( 0.3177022 -0.3177022 0.0000000), wk = 0.0030395 k( 207) = ( 0.3095560 -0.3095560 0.0000000), wk = 0.0030395 k( 208) = ( 0.3014097 -0.3014098 0.0000000), wk = 0.0030395 k( 209) = ( 0.2932635 -0.2932635 0.0000000), wk = 0.0030395 k( 210) = ( 0.2851173 -0.2851173 0.0000000), wk = 0.0030395 k( 211) = ( 0.2769711 -0.2769711 0.0000000), wk = 0.0030395 k( 212) = ( 0.2688249 -0.2688249 0.0000000), wk = 0.0030395 k( 213) = ( 0.2606787 -0.2606787 0.0000000), wk = 0.0030395 k( 214) = ( 0.2525325 -0.2525325 0.0000000), wk = 0.0030395 k( 215) = ( 0.2443863 -0.2443863 0.0000000), wk = 0.0030395 k( 216) = ( 0.2362401 -0.2362401 0.0000000), wk = 0.0030395 k( 217) = ( 0.2280939 -0.2280939 0.0000000), wk = 0.0030395 k( 218) = ( 0.2199477 -0.2199477 0.0000000), wk = 0.0030395 k( 219) = ( 0.2118015 -0.2118015 0.0000000), wk = 0.0030395 k( 220) = ( 0.2036552 -0.2036552 0.0000000), wk = 0.0030395 k( 221) = ( 0.1955090 -0.1955090 0.0000000), wk = 0.0030395 k( 222) = ( 0.1873628 -0.1873628 0.0000000), wk = 0.0030395 k( 223) = ( 0.1792166 -0.1792166 0.0000000), wk = 0.0030395 k( 224) = ( 0.1710704 -0.1710704 0.0000000), wk = 0.0030395 k( 225) = ( 0.1629242 -0.1629242 0.0000000), wk = 0.0030395 k( 226) = ( 0.1547780 -0.1547780 0.0000000), wk = 0.0030395 k( 227) = ( 0.1466318 -0.1466318 0.0000000), wk = 0.0030395 k( 228) = ( 0.1384856 -0.1384856 0.0000000), wk = 0.0030395 k( 229) = ( 0.1303393 -0.1303393 0.0000000), wk = 0.0030395 k( 230) = ( 0.1221931 -0.1221931 0.0000000), wk = 0.0030395 k( 231) = ( 0.1140469 -0.1140469 0.0000000), wk = 0.0030395 k( 232) = ( 0.1059007 -0.1059007 0.0000000), wk = 0.0030395 k( 233) = ( 0.0977545 -0.0977545 0.0000000), wk = 0.0030395 k( 234) = ( 0.0896083 -0.0896083 0.0000000), wk = 0.0030395 k( 235) = ( 0.0814621 -0.0814621 0.0000000), wk = 0.0030395 k( 236) = ( 0.0733159 -0.0733159 0.0000000), wk = 0.0030395 k( 237) = ( 0.0651697 -0.0651697 0.0000000), wk = 0.0030395 k( 238) = ( 0.0570235 -0.0570235 0.0000000), wk = 0.0030395 k( 239) = ( 0.0488773 -0.0488773 0.0000000), wk = 0.0030395 k( 240) = ( 0.0407310 -0.0407310 0.0000000), wk = 0.0030395 k( 241) = ( 0.0325848 -0.0325848 0.0000000), wk = 0.0030395 k( 242) = ( 0.0244386 -0.0244386 0.0000000), wk = 0.0030395 k( 243) = ( 0.0162924 -0.0162924 0.0000000), wk = 0.0030395 k( 244) = ( 0.0081462 -0.0081462 0.0000000), wk = 0.0030395 k( 245) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 246) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 k( 247) = ( 0.0131579 0.0000000 0.0000000), wk = 0.0030395 k( 248) = ( 0.0263158 0.0000000 0.0000000), wk = 0.0030395 k( 249) = ( 0.0394737 0.0000000 0.0000000), wk = 0.0030395 k( 250) = ( 0.0526316 0.0000000 0.0000000), wk = 0.0030395 k( 251) = ( 0.0657895 0.0000000 0.0000000), wk = 0.0030395 k( 252) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0030395 k( 253) = ( 0.0921053 0.0000000 0.0000000), wk = 0.0030395 k( 254) = ( 0.1052632 0.0000000 0.0000000), wk = 0.0030395 k( 255) = ( 0.1184210 0.0000000 0.0000000), wk = 0.0030395 k( 256) = ( 0.1315790 0.0000000 0.0000000), wk = 0.0030395 k( 257) = ( 0.1447368 0.0000000 0.0000000), wk = 0.0030395 k( 258) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0030395 k( 259) = ( 0.1710526 0.0000000 0.0000000), wk = 0.0030395 k( 260) = ( 0.1842105 0.0000000 0.0000000), wk = 0.0030395 k( 261) = ( 0.1973684 0.0000000 0.0000000), wk = 0.0030395 k( 262) = ( 0.2105263 0.0000000 0.0000000), wk = 0.0030395 k( 263) = ( 0.2236842 0.0000000 0.0000000), wk = 0.0030395 k( 264) = ( 0.2368421 -0.0000000 0.0000000), wk = 0.0030395 k( 265) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030395 k( 266) = ( 0.2631579 0.0000000 0.0000000), wk = 0.0030395 k( 267) = ( 0.2763158 -0.0000000 0.0000000), wk = 0.0030395 k( 268) = ( 0.2894737 0.0000000 0.0000000), wk = 0.0030395 k( 269) = ( 0.3026316 -0.0000000 0.0000000), wk = 0.0030395 k( 270) = ( 0.3157895 0.0000000 0.0000000), wk = 0.0030395 k( 271) = ( 0.3289474 0.0000000 0.0000000), wk = 0.0030395 k( 272) = ( 0.3421053 0.0000000 0.0000000), wk = 0.0030395 k( 273) = ( 0.3552632 0.0000000 0.0000000), wk = 0.0030395 k( 274) = ( 0.3684211 0.0000000 0.0000000), wk = 0.0030395 k( 275) = ( 0.3815789 0.0000000 0.0000000), wk = 0.0030395 k( 276) = ( 0.3947368 0.0000000 0.0000000), wk = 0.0030395 k( 277) = ( 0.4078947 0.0000000 0.0000000), wk = 0.0030395 k( 278) = ( 0.4210526 0.0000000 0.0000000), wk = 0.0030395 k( 279) = ( 0.4342105 0.0000000 0.0000000), wk = 0.0030395 k( 280) = ( 0.4473684 0.0000000 0.0000000), wk = 0.0030395 k( 281) = ( 0.4605263 -0.0000000 0.0000000), wk = 0.0030395 k( 282) = ( 0.4736842 0.0000000 0.0000000), wk = 0.0030395 k( 283) = ( 0.4868421 0.0000000 0.0000000), wk = 0.0030395 k( 284) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030395 k( 285) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030395 k( 286) = ( 0.4886364 0.0000000 0.4886364), wk = 0.0030395 k( 287) = ( 0.4772727 -0.0000000 0.4772727), wk = 0.0030395 k( 288) = ( 0.4659091 0.0000000 0.4659091), wk = 0.0030395 k( 289) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0030395 k( 290) = ( 0.4431818 0.0000000 0.4431818), wk = 0.0030395 k( 291) = ( 0.4318182 0.0000000 0.4318182), wk = 0.0030395 k( 292) = ( 0.4204545 0.0000000 0.4204545), wk = 0.0030395 k( 293) = ( 0.4090909 0.0000000 0.4090909), wk = 0.0030395 k( 294) = ( 0.3977273 0.0000000 0.3977273), wk = 0.0030395 k( 295) = ( 0.3863636 0.0000000 0.3863636), wk = 0.0030395 k( 296) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0030395 k( 297) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0030395 k( 298) = ( 0.3522727 0.0000000 0.3522727), wk = 0.0030395 k( 299) = ( 0.3409091 0.0000000 0.3409091), wk = 0.0030395 k( 300) = ( 0.3295455 0.0000000 0.3295455), wk = 0.0030395 k( 301) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0030395 k( 302) = ( 0.3068182 0.0000000 0.3068182), wk = 0.0030395 k( 303) = ( 0.2954545 -0.0000000 0.2954545), wk = 0.0030395 k( 304) = ( 0.2840909 0.0000000 0.2840909), wk = 0.0030395 k( 305) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0030395 k( 306) = ( 0.2613636 0.0000000 0.2613636), wk = 0.0030395 k( 307) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0030395 k( 308) = ( 0.2386364 -0.0000000 0.2386364), wk = 0.0030395 k( 309) = ( 0.2272727 -0.0000000 0.2272727), wk = 0.0030395 k( 310) = ( 0.2159091 0.0000000 0.2159091), wk = 0.0030395 k( 311) = ( 0.2045454 0.0000000 0.2045454), wk = 0.0030395 k( 312) = ( 0.1931818 0.0000000 0.1931818), wk = 0.0030395 k( 313) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0030395 k( 314) = ( 0.1704546 -0.0000000 0.1704546), wk = 0.0030395 k( 315) = ( 0.1590909 0.0000000 0.1590909), wk = 0.0030395 k( 316) = ( 0.1477273 0.0000000 0.1477273), wk = 0.0030395 k( 317) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0030395 k( 318) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0030395 k( 319) = ( 0.1136364 0.0000000 0.1136364), wk = 0.0030395 k( 320) = ( 0.1022727 0.0000000 0.1022727), wk = 0.0030395 k( 321) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0030395 k( 322) = ( 0.0795455 0.0000000 0.0795455), wk = 0.0030395 k( 323) = ( 0.0681818 0.0000000 0.0681818), wk = 0.0030395 k( 324) = ( 0.0568182 0.0000000 0.0568182), wk = 0.0030395 k( 325) = ( 0.0454546 0.0000000 0.0454546), wk = 0.0030395 k( 326) = ( 0.0340909 0.0000000 0.0340909), wk = 0.0030395 k( 327) = ( 0.0227273 0.0000000 0.0227273), wk = 0.0030395 k( 328) = ( 0.0113636 -0.0000000 0.0113636), wk = 0.0030395 k( 329) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030395 Dense grid: 280721 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 63655 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 454, 50) NL pseudopotentials 0.48 Mb ( 227, 139) Each V/rho on FFT grid 0.42 Mb ( 27648) Each G-vector array 0.06 Mb ( 7801) G-vector shells 0.06 Mb ( 7577) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.39 Mb ( 454, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 139, 2, 50) The potential is recalculated from file : ./BaBeSiO4.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.4 secs Computing kpt #: 2 total cpu time spent up to now is 6.5 secs Computing kpt #: 3 total cpu time spent up to now is 7.6 secs Computing kpt #: 4 total cpu time spent up to now is 8.7 secs Computing kpt #: 5 total cpu time spent up to now is 9.8 secs Computing kpt #: 6 total cpu time spent up to now is 10.8 secs Computing kpt #: 7 total cpu time spent up to now is 11.8 secs Computing kpt #: 8 total cpu time spent up to now is 12.9 secs Computing kpt #: 9 total cpu time spent up to now is 13.9 secs Computing kpt #: 10 total cpu time spent up to now is 15.0 secs Computing kpt #: 11 total cpu time spent up to now is 16.0 secs Computing kpt #: 12 total cpu time spent up to now is 17.0 secs Computing kpt #: 13 total cpu time spent up to now is 18.1 secs Computing kpt #: 14 total cpu time spent up to now is 19.1 secs Computing kpt #: 15 total cpu time spent up to now is 20.1 secs Computing kpt #: 16 total cpu time spent up to now is 21.2 secs Computing kpt #: 17 total cpu time spent up to now is 22.3 secs Computing kpt #: 18 total cpu time spent up to now is 23.2 secs Computing kpt #: 19 total cpu time spent up to now is 24.3 secs Computing kpt #: 20 total cpu time spent up to now is 25.3 secs Computing kpt #: 21 total cpu time spent up to now is 26.4 secs Computing kpt #: 22 total cpu time spent up to now is 27.5 secs Computing kpt #: 23 total cpu time spent up to now is 28.5 secs Computing kpt #: 24 total cpu time spent up to now is 29.7 secs Computing kpt #: 25 total cpu time spent up to now is 30.8 secs Computing kpt #: 26 total cpu time spent up to now is 32.0 secs Computing kpt #: 27 total cpu time spent up to now is 33.2 secs Computing kpt #: 28 total cpu time spent up to now is 34.4 secs Computing kpt #: 29 total cpu time spent up to now is 35.7 secs Computing kpt #: 30 total cpu time spent up to now is 36.9 secs Computing kpt #: 31 total cpu time spent up to now is 38.1 secs Computing kpt #: 32 total cpu time spent up to now is 39.2 secs Computing kpt #: 33 total cpu time spent up to now is 40.4 secs Computing kpt #: 34 total cpu time spent up to now is 41.5 secs Computing kpt #: 35 total cpu time spent up to now is 42.6 secs Computing kpt #: 36 total cpu time spent up to now is 43.8 secs Computing kpt #: 37 total cpu time spent up to now is 45.0 secs Computing kpt #: 38 total cpu time spent up to now is 46.1 secs Computing kpt #: 39 total cpu time spent up to now is 47.1 secs Computing kpt #: 40 total cpu time spent up to now is 48.2 secs Computing kpt #: 41 total cpu time spent up to now is 49.4 secs Computing kpt #: 42 total cpu time spent up to now is 50.5 secs Computing kpt #: 43 total cpu time spent up to now is 51.5 secs Computing kpt #: 44 total cpu time spent up to now is 52.5 secs Computing kpt #: 45 total cpu time spent up to now is 53.5 secs Computing kpt #: 46 total cpu time spent up to now is 54.4 secs Computing kpt #: 47 total cpu time spent up to now is 55.4 secs Computing kpt #: 48 total cpu time spent up to now is 56.5 secs Computing kpt #: 49 total cpu time spent up to now is 57.4 secs Computing kpt #: 50 total cpu time spent up to now is 58.4 secs Computing kpt #: 51 total cpu time spent up to now is 59.4 secs Computing kpt #: 52 total cpu time spent up to now is 60.4 secs Computing kpt #: 53 total cpu time spent up to now is 61.5 secs Computing kpt #: 54 total cpu time spent up to now is 62.4 secs Computing kpt #: 55 total cpu time spent up to now is 63.5 secs Computing kpt #: 56 total cpu time spent up to now is 64.4 secs Computing kpt #: 57 total cpu time spent up to now is 65.4 secs Computing kpt #: 58 total cpu time spent up to now is 66.4 secs Computing kpt #: 59 total cpu time spent up to now is 67.5 secs Computing kpt #: 60 total cpu time spent up to now is 68.5 secs Computing kpt #: 61 total cpu time spent up to now is 69.6 secs Computing kpt #: 62 total cpu time spent up to now is 70.6 secs Computing kpt #: 63 total cpu time spent up to now is 71.6 secs Computing kpt #: 64 total cpu time spent up to now is 72.7 secs Computing kpt #: 65 total cpu time spent up to now is 73.6 secs Computing kpt #: 66 total cpu time spent up to now is 74.8 secs Computing kpt #: 67 total cpu time spent up to now is 75.9 secs Computing kpt #: 68 total cpu time spent up to now is 77.0 secs Computing kpt #: 69 total cpu time spent up to now is 78.1 secs Computing kpt #: 70 total cpu time spent up to now is 79.3 secs Computing kpt #: 71 total cpu time spent up to now is 80.4 secs Computing kpt #: 72 total cpu time spent up to now is 81.5 secs Computing kpt #: 73 total cpu time spent up to now is 82.6 secs Computing kpt #: 74 total cpu time spent up to now is 83.8 secs Computing kpt #: 75 total cpu time spent up to now is 84.8 secs Computing kpt #: 76 total cpu time spent up to now is 85.9 secs Computing kpt #: 77 total cpu time spent up to now is 86.8 secs Computing kpt #: 78 total cpu time spent up to now is 88.0 secs Computing kpt #: 79 total cpu time spent up to now is 89.2 secs Computing kpt #: 80 total cpu time spent up to now is 90.3 secs Computing kpt #: 81 total cpu time spent up to now is 91.4 secs Computing kpt #: 82 total cpu time spent up to now is 92.5 secs Computing kpt #: 83 total cpu time spent up to now is 93.6 secs Computing kpt #: 84 total cpu time spent up to now is 94.7 secs Computing kpt #: 85 total cpu time spent up to now is 95.8 secs Computing kpt #: 86 total cpu time spent up to now is 96.9 secs Computing kpt #: 87 total cpu time spent up to now is 98.0 secs Computing kpt #: 88 total cpu time spent up to now is 99.0 secs Computing kpt #: 89 total cpu time spent up to now is 100.1 secs Computing kpt #: 90 total cpu time spent up to now is 101.2 secs Computing kpt #: 91 total cpu time spent up to now is 102.3 secs Computing kpt #: 92 total cpu time spent up to now is 103.4 secs Computing kpt #: 93 total cpu time spent up to now is 104.6 secs Computing kpt #: 94 total cpu time spent up to now is 105.7 secs Computing kpt #: 95 total cpu time spent up to now is 106.8 secs Computing kpt #: 96 total cpu time spent up to now is 108.0 secs Computing kpt #: 97 total cpu time spent up to now is 109.2 secs Computing kpt #: 98 total cpu time spent up to now is 110.5 secs Computing kpt #: 99 total cpu time spent up to now is 111.6 secs Computing kpt #: 100 total cpu time spent up to now is 112.8 secs Computing kpt #: 101 total cpu time spent up to now is 113.9 secs Computing kpt #: 102 total cpu time spent up to now is 115.1 secs Computing kpt #: 103 total cpu time spent up to now is 116.2 secs Computing kpt #: 104 total cpu time spent up to now is 117.3 secs Computing kpt #: 105 total cpu time spent up to now is 118.5 secs Computing kpt #: 106 total cpu time spent up to now is 119.6 secs Computing kpt #: 107 total cpu time spent up to now is 121.0 secs Computing kpt #: 108 total cpu time spent up to now is 122.1 secs Computing kpt #: 109 total cpu time spent up to now is 123.4 secs Computing kpt #: 110 total cpu time spent up to now is 124.7 secs Computing kpt #: 111 total cpu time spent up to now is 125.9 secs Computing kpt #: 112 total cpu time spent up to now is 127.1 secs Computing kpt #: 113 total cpu time spent up to now is 128.3 secs Computing kpt #: 114 total cpu time spent up to now is 129.5 secs Computing kpt #: 115 total cpu time spent up to now is 130.7 secs Computing kpt #: 116 total cpu time spent up to now is 131.9 secs Computing kpt #: 117 total cpu time spent up to now is 133.1 secs Computing kpt #: 118 total cpu time spent up to now is 134.2 secs Computing kpt #: 119 total cpu time spent up to now is 135.4 secs Computing kpt #: 120 total cpu time spent up to now is 136.6 secs Computing kpt #: 121 total cpu time spent up to now is 137.7 secs Computing kpt #: 122 total cpu time spent up to now is 138.9 secs Computing kpt #: 123 total cpu time spent up to now is 139.9 secs Computing kpt #: 124 total cpu time spent up to now is 141.6 secs Computing kpt #: 125 total cpu time spent up to now is 142.8 secs Computing kpt #: 126 total cpu time spent up to now is 143.9 secs Computing kpt #: 127 total cpu time spent up to now is 145.1 secs Computing kpt #: 128 total cpu time spent up to now is 146.3 secs Computing kpt #: 129 total cpu time spent up to now is 147.4 secs Computing kpt #: 130 total cpu time spent up to now is 148.7 secs Computing kpt #: 131 total cpu time spent up to now is 150.0 secs Computing kpt #: 132 total cpu time spent up to now is 151.2 secs Computing kpt #: 133 total cpu time spent up to now is 152.5 secs Computing kpt #: 134 total cpu time spent up to now is 153.8 secs Computing kpt #: 135 total cpu time spent up to now is 155.1 secs Computing kpt #: 136 total cpu time spent up to now is 156.4 secs Computing kpt #: 137 total cpu time spent up to now is 157.7 secs Computing kpt #: 138 total cpu time spent up to now is 159.0 secs Computing kpt #: 139 total cpu time spent up to now is 160.4 secs Computing kpt #: 140 total cpu time spent up to now is 161.7 secs Computing kpt #: 141 total cpu time spent up to now is 163.0 secs Computing kpt #: 142 total cpu time spent up to now is 164.2 secs Computing kpt #: 143 total cpu time spent up to now is 165.3 secs Computing kpt #: 144 total cpu time spent up to now is 166.4 secs Computing kpt #: 145 total cpu time spent up to now is 167.6 secs Computing kpt #: 146 total cpu time spent up to now is 168.9 secs Computing kpt #: 147 total cpu time spent up to now is 170.5 secs Computing kpt #: 148 total cpu time spent up to now is 171.6 secs Computing kpt #: 149 total cpu time spent up to now is 172.6 secs Computing kpt #: 150 total cpu time spent up to now is 173.7 secs Computing kpt #: 151 total cpu time spent up to now is 174.7 secs Computing kpt #: 152 total cpu time spent up to now is 175.8 secs Computing kpt #: 153 total cpu time spent up to now is 177.0 secs Computing kpt #: 154 total cpu time spent up to now is 178.0 secs Computing kpt #: 155 total cpu time spent up to now is 179.1 secs Computing kpt #: 156 total cpu time spent up to now is 180.2 secs Computing kpt #: 157 total cpu time spent up to now is 181.2 secs Computing kpt #: 158 total cpu time spent up to now is 182.3 secs Computing kpt #: 159 total cpu time spent up to now is 183.3 secs Computing kpt #: 160 total cpu time spent up to now is 184.3 secs Computing kpt #: 161 total cpu time spent up to now is 185.4 secs Computing kpt #: 162 total cpu time spent up to now is 186.3 secs Computing kpt #: 163 total cpu time spent up to now is 187.3 secs Computing kpt #: 164 total cpu time spent up to now is 188.3 secs Computing kpt #: 165 total cpu time spent up to now is 189.2 secs Computing kpt #: 166 total cpu time spent up to now is 190.2 secs Computing kpt #: 167 total cpu time spent up to now is 191.2 secs Computing kpt #: 168 total cpu time spent up to now is 192.1 secs Computing kpt #: 169 total cpu time spent up to now is 193.1 secs Computing kpt #: 170 total cpu time spent up to now is 194.0 secs Computing kpt #: 171 total cpu time spent up to now is 195.0 secs Computing kpt #: 172 total cpu time spent up to now is 195.9 secs Computing kpt #: 173 total cpu time spent up to now is 196.8 secs Computing kpt #: 174 total cpu time spent up to now is 197.8 secs Computing kpt #: 175 total cpu time spent up to now is 198.8 secs Computing kpt #: 176 total cpu time spent up to now is 199.8 secs Computing kpt #: 177 total cpu time spent up to now is 200.7 secs Computing kpt #: 178 total cpu time spent up to now is 201.7 secs Computing kpt #: 179 total cpu time spent up to now is 202.8 secs Computing kpt #: 180 total cpu time spent up to now is 203.8 secs Computing kpt #: 181 total cpu time spent up to now is 204.8 secs Computing kpt #: 182 total cpu time spent up to now is 205.9 secs Computing kpt #: 183 total cpu time spent up to now is 206.9 secs Computing kpt #: 184 total cpu time spent up to now is 207.9 secs Computing kpt #: 185 total cpu time spent up to now is 208.8 secs Computing kpt #: 186 total cpu time spent up to now is 209.8 secs Computing kpt #: 187 total cpu time spent up to now is 211.0 secs Computing kpt #: 188 total cpu time spent up to now is 212.0 secs Computing kpt #: 189 total cpu time spent up to now is 212.9 secs Computing kpt #: 190 total cpu time spent up to now is 214.0 secs Computing kpt #: 191 total cpu time spent up to now is 215.0 secs Computing kpt #: 192 total cpu time spent up to now is 216.1 secs Computing kpt #: 193 total cpu time spent up to now is 217.2 secs Computing kpt #: 194 total cpu time spent up to now is 218.2 secs Computing kpt #: 195 total cpu time spent up to now is 219.4 secs Computing kpt #: 196 total cpu time spent up to now is 220.5 secs Computing kpt #: 197 total cpu time spent up to now is 221.8 secs Computing kpt #: 198 total cpu time spent up to now is 223.0 secs Computing kpt #: 199 total cpu time spent up to now is 224.3 secs Computing kpt #: 200 total cpu time spent up to now is 225.6 secs Computing kpt #: 201 total cpu time spent up to now is 226.9 secs Computing kpt #: 202 total cpu time spent up to now is 228.3 secs Computing kpt #: 203 total cpu time spent up to now is 229.7 secs Computing kpt #: 204 total cpu time spent up to now is 231.0 secs Computing kpt #: 205 total cpu time spent up to now is 232.3 secs Computing kpt #: 206 total cpu time spent up to now is 233.5 secs Computing kpt #: 207 total cpu time spent up to now is 234.4 secs Computing kpt #: 208 total cpu time spent up to now is 235.6 secs Computing kpt #: 209 total cpu time spent up to now is 236.7 secs Computing kpt #: 210 total cpu time spent up to now is 237.9 secs Computing kpt #: 211 total cpu time spent up to now is 239.0 secs Computing kpt #: 212 total cpu time spent up to now is 240.0 secs Computing kpt #: 213 total cpu time spent up to now is 241.1 secs Computing kpt #: 214 total cpu time spent up to now is 242.1 secs Computing kpt #: 215 total cpu time spent up to now is 243.1 secs Computing kpt #: 216 total cpu time spent up to now is 244.2 secs Computing kpt #: 217 total cpu time spent up to now is 245.3 secs Computing kpt #: 218 total cpu time spent up to now is 246.4 secs Computing kpt #: 219 total cpu time spent up to now is 247.4 secs Computing kpt #: 220 total cpu time spent up to now is 248.4 secs Computing kpt #: 221 total cpu time spent up to now is 249.4 secs Computing kpt #: 222 total cpu time spent up to now is 250.4 secs Computing kpt #: 223 total cpu time spent up to now is 251.4 secs Computing kpt #: 224 total cpu time spent up to now is 252.3 secs Computing kpt #: 225 total cpu time spent up to now is 253.3 secs Computing kpt #: 226 total cpu time spent up to now is 254.3 secs Computing kpt #: 227 total cpu time spent up to now is 255.3 secs Computing kpt #: 228 total cpu time spent up to now is 256.2 secs Computing kpt #: 229 total cpu time spent up to now is 257.2 secs Computing kpt #: 230 total cpu time spent up to now is 258.2 secs Computing kpt #: 231 total cpu time spent up to now is 259.2 secs Computing kpt #: 232 total cpu time spent up to now is 260.1 secs Computing kpt #: 233 total cpu time spent up to now is 261.2 secs Computing kpt #: 234 total cpu time spent up to now is 262.1 secs Computing kpt #: 235 total cpu time spent up to now is 263.1 secs Computing kpt #: 236 total cpu time spent up to now is 264.1 secs Computing kpt #: 237 total cpu time spent up to now is 265.2 secs Computing kpt #: 238 total cpu time spent up to now is 266.2 secs Computing kpt #: 239 total cpu time spent up to now is 267.1 secs Computing kpt #: 240 total cpu time spent up to now is 268.3 secs Computing kpt #: 241 total cpu time spent up to now is 269.3 secs Computing kpt #: 242 total cpu time spent up to now is 270.4 secs Computing kpt #: 243 total cpu time spent up to now is 271.5 secs Computing kpt #: 244 total cpu time spent up to now is 272.5 secs Computing kpt #: 245 total cpu time spent up to now is 273.6 secs Computing kpt #: 246 total cpu time spent up to now is 274.7 secs Computing kpt #: 247 total cpu time spent up to now is 275.8 secs Computing kpt #: 248 total cpu time spent up to now is 276.9 secs Computing kpt #: 249 total cpu time spent up to now is 278.0 secs Computing kpt #: 250 total cpu time spent up to now is 279.0 secs Computing kpt #: 251 total cpu time spent up to now is 280.0 secs Computing kpt #: 252 total cpu time spent up to now is 281.1 secs Computing kpt #: 253 total cpu time spent up to now is 282.1 secs Computing kpt #: 254 total cpu time spent up to now is 283.1 secs Computing kpt #: 255 total cpu time spent up to now is 284.1 secs Computing kpt #: 256 total cpu time spent up to now is 285.2 secs Computing kpt #: 257 total cpu time spent up to now is 286.2 secs Computing kpt #: 258 total cpu time spent up to now is 287.1 secs Computing kpt #: 259 total cpu time spent up to now is 288.1 secs Computing kpt #: 260 total cpu time spent up to now is 289.1 secs Computing kpt #: 261 total cpu time spent up to now is 290.2 secs Computing kpt #: 262 total cpu time spent up to now is 291.2 secs Computing kpt #: 263 total cpu time spent up to now is 292.2 secs Computing kpt #: 264 total cpu time spent up to now is 293.2 secs Computing kpt #: 265 total cpu time spent up to now is 294.2 secs Computing kpt #: 266 total cpu time spent up to now is 295.1 secs Computing kpt #: 267 total cpu time spent up to now is 296.2 secs Computing kpt #: 268 total cpu time spent up to now is 297.1 secs Computing kpt #: 269 total cpu time spent up to now is 298.1 secs Computing kpt #: 270 total cpu time spent up to now is 299.2 secs Computing kpt #: 271 total cpu time spent up to now is 300.3 secs Computing kpt #: 272 total cpu time spent up to now is 301.4 secs Computing kpt #: 273 total cpu time spent up to now is 302.4 secs Computing kpt #: 274 total cpu time spent up to now is 303.4 secs Computing kpt #: 275 total cpu time spent up to now is 304.5 secs Computing kpt #: 276 total cpu time spent up to now is 305.8 secs Computing kpt #: 277 total cpu time spent up to now is 306.9 secs Computing kpt #: 278 total cpu time spent up to now is 308.0 secs Computing kpt #: 279 total cpu time spent up to now is 309.2 secs Computing kpt #: 280 total cpu time spent up to now is 310.4 secs Computing kpt #: 281 total cpu time spent up to now is 311.8 secs Computing kpt #: 282 total cpu time spent up to now is 312.9 secs Computing kpt #: 283 total cpu time spent up to now is 314.1 secs Computing kpt #: 284 total cpu time spent up to now is 315.3 secs Computing kpt #: 285 total cpu time spent up to now is 316.3 secs Computing kpt #: 286 total cpu time spent up to now is 317.4 secs Computing kpt #: 287 total cpu time spent up to now is 318.5 secs Computing kpt #: 288 total cpu time spent up to now is 319.6 secs Computing kpt #: 289 total cpu time spent up to now is 320.7 secs Computing kpt #: 290 total cpu time spent up to now is 321.9 secs Computing kpt #: 291 total cpu time spent up to now is 323.1 secs Computing kpt #: 292 total cpu time spent up to now is 324.2 secs Computing kpt #: 293 total cpu time spent up to now is 325.3 secs Computing kpt #: 294 total cpu time spent up to now is 326.5 secs Computing kpt #: 295 total cpu time spent up to now is 327.8 secs Computing kpt #: 296 total cpu time spent up to now is 328.9 secs Computing kpt #: 297 total cpu time spent up to now is 330.2 secs Computing kpt #: 298 total cpu time spent up to now is 331.4 secs Computing kpt #: 299 total cpu time spent up to now is 332.7 secs Computing kpt #: 300 total cpu time spent up to now is 334.0 secs Computing kpt #: 301 total cpu time spent up to now is 335.2 secs Computing kpt #: 302 total cpu time spent up to now is 336.5 secs Computing kpt #: 303 total cpu time spent up to now is 337.7 secs Computing kpt #: 304 total cpu time spent up to now is 338.8 secs Computing kpt #: 305 total cpu time spent up to now is 339.9 secs Computing kpt #: 306 total cpu time spent up to now is 341.1 secs Computing kpt #: 307 total cpu time spent up to now is 342.2 secs Computing kpt #: 308 total cpu time spent up to now is 343.2 secs Computing kpt #: 309 total cpu time spent up to now is 344.3 secs Computing kpt #: 310 total cpu time spent up to now is 345.3 secs Computing kpt #: 311 total cpu time spent up to now is 346.4 secs Computing kpt #: 312 total cpu time spent up to now is 347.5 secs Computing kpt #: 313 total cpu time spent up to now is 348.6 secs Computing kpt #: 314 total cpu time spent up to now is 349.6 secs Computing kpt #: 315 total cpu time spent up to now is 350.7 secs Computing kpt #: 316 total cpu time spent up to now is 351.8 secs Computing kpt #: 317 total cpu time spent up to now is 352.8 secs Computing kpt #: 318 total cpu time spent up to now is 353.8 secs Computing kpt #: 319 total cpu time spent up to now is 354.9 secs Computing kpt #: 320 total cpu time spent up to now is 355.9 secs Computing kpt #: 321 total cpu time spent up to now is 356.9 secs Computing kpt #: 322 total cpu time spent up to now is 357.9 secs Computing kpt #: 323 total cpu time spent up to now is 359.0 secs Computing kpt #: 324 total cpu time spent up to now is 360.0 secs Computing kpt #: 325 total cpu time spent up to now is 361.1 secs Computing kpt #: 326 total cpu time spent up to now is 362.2 secs Computing kpt #: 327 total cpu time spent up to now is 363.2 secs Computing kpt #: 328 total cpu time spent up to now is 364.3 secs Computing kpt #: 329 total cpu time spent up to now is 365.3 secs ethr = 2.38E-08, avg # of iterations = 25.6 total cpu time spent up to now is 365.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7917 PWs) bands (ev): -91.0901 -91.0901 -19.5186 -19.5186 -12.8960 -12.8960 -11.2666 -11.2666 -11.0637 -11.0637 -10.8247 -10.8247 -6.1527 -6.1527 -4.2052 -4.2052 -4.1798 -4.1798 -1.7536 -1.7536 0.8341 0.8341 0.9233 0.9233 1.0108 1.0108 2.9285 2.9285 3.0182 3.0182 4.3832 4.3832 4.4348 4.4348 4.5437 4.5437 5.4592 5.4592 5.7934 5.7934 6.0225 6.0225 10.4716 10.4716 12.6553 12.6553 12.6912 12.6912 12.8245 12.8245 k = 0.0114 0.0066-0.0090 ( 7914 PWs) bands (ev): -91.0901 -91.0901 -19.5186 -19.5186 -12.8958 -12.8958 -11.2669 -11.2665 -11.0643 -11.0641 -10.8248 -10.8248 -6.1554 -6.1499 -4.2084 -4.2027 -4.1802 -4.1785 -1.7525 -1.7523 0.8305 0.8364 0.9216 0.9266 1.0116 1.0118 2.9282 2.9305 3.0189 3.0189 4.3823 4.3823 4.4333 4.4338 4.5427 4.5427 5.4584 5.4586 5.7917 5.7926 6.0216 6.0226 10.4745 10.4747 12.6538 12.6556 12.6888 12.6927 12.8211 12.8264 k = 0.0227 0.0132-0.0180 ( 7908 PWs) bands (ev): -91.0901 -91.0901 -19.5185 -19.5185 -12.8953 -12.8952 -11.2674 -11.2665 -11.0659 -11.0655 -10.8251 -10.8251 -6.1579 -6.1470 -4.2122 -4.2010 -4.1798 -4.1761 -1.7492 -1.7487 0.8258 0.8368 0.9220 0.9312 1.0142 1.0146 2.9297 2.9341 3.0210 3.0211 4.3794 4.3796 4.4293 4.4304 4.5398 4.5398 5.4561 5.4565 5.7875 5.7894 6.0201 6.0221 10.4834 10.4838 12.6508 12.6547 12.6859 12.6934 12.8162 12.8269 k = 0.0341 0.0199-0.0270 ( 7905 PWs) bands (ev): -91.0901 -91.0901 -19.5183 -19.5183 -12.8945 -12.8943 -11.2681 -11.2667 -11.0685 -11.0680 -10.8255 -10.8254 -6.1603 -6.1439 -4.2162 -4.2000 -4.1789 -4.1728 -1.7435 -1.7427 0.8200 0.8351 0.9247 0.9371 1.0187 1.0192 2.9328 2.9395 3.0246 3.0248 4.3739 4.3744 4.4234 4.4252 4.5350 4.5350 5.4524 5.4530 5.7810 5.7837 6.0179 6.0208 10.4982 10.4989 12.6462 12.6527 12.6827 12.6931 12.8100 12.8260 k = 0.0455 0.0265-0.0361 ( 7910 PWs) bands (ev): -91.0901 -91.0901 -19.5180 -19.5180 -12.8933 -12.8931 -11.2690 -11.2671 -11.0722 -11.0715 -10.8260 -10.8260 -6.1624 -6.1408 -4.2202 -4.1996 -4.1776 -4.1689 -1.7356 -1.7345 0.8133 0.8312 0.9299 0.9441 1.0249 1.0255 2.9376 2.9464 3.0296 3.0299 4.3652 4.3662 4.4162 4.4190 4.5283 4.5283 5.4474 5.4482 5.7722 5.7757 6.0149 6.0187 10.5188 10.5197 12.6395 12.6495 12.6795 12.6921 12.8028 12.8240 k = 0.0568 0.0331-0.0451 ( 7905 PWs) bands (ev): -91.0901 -91.0901 -19.5176 -19.5176 -12.8917 -12.8914 -11.2700 -11.2677 -11.0768 -11.0759 -10.8267 -10.8267 -6.1643 -6.1376 -4.2241 -4.1994 -4.1760 -4.1646 -1.7254 -1.7239 0.8057 0.8252 0.9375 0.9523 1.0331 1.0337 2.9439 2.9548 3.0361 3.0364 4.3524 4.3540 4.4088 4.4127 4.5197 4.5197 5.4410 5.4420 5.7614 5.7655 6.0112 6.0157 10.5450 10.5462 12.6308 12.6448 12.6764 12.6903 12.7947 12.8212 k = 0.0682 0.0397-0.0541 ( 7903 PWs) bands (ev): -91.0901 -91.0901 -19.5171 -19.5171 -12.8898 -12.8895 -11.2712 -11.2685 -11.0824 -11.0814 -10.8276 -10.8276 -6.1659 -6.1344 -4.2278 -4.1993 -4.1742 -4.1601 -1.7131 -1.7112 0.7970 0.8173 0.9473 0.9618 1.0430 1.0435 2.9516 2.9646 3.0440 3.0443 4.3353 4.3373 4.4018 4.4066 4.5092 4.5092 5.4333 5.4346 5.7485 5.7532 6.0067 6.0119 10.5765 10.5780 12.6201 12.6385 12.6735 12.6881 12.7864 12.8176 k = 0.0795 0.0463-0.0631 ( 7909 PWs) bands (ev): -91.0901 -91.0901 -19.5166 -19.5166 -12.8875 -12.8871 -11.2726 -11.2695 -11.0891 -11.0878 -10.8286 -10.8286 -6.1672 -6.1311 -4.2312 -4.1992 -4.1722 -4.1554 -1.6986 -1.6963 0.7874 0.8076 0.9591 0.9725 1.0547 1.0551 2.9607 2.9756 3.0532 3.0537 4.3139 4.3163 4.3951 4.4008 4.4968 4.4968 5.4245 5.4261 5.7340 5.7391 6.0014 6.0071 10.6130 10.6148 12.6077 12.6305 12.6707 12.6854 12.7781 12.8137 k = 0.0909 0.0530-0.0721 ( 7911 PWs) bands (ev): -91.0901 -91.0901 -19.5160 -19.5160 -12.8847 -12.8843 -11.2743 -11.2708 -11.0966 -11.0952 -10.8297 -10.8297 -6.1683 -6.1278 -4.2343 -4.1990 -4.1700 -4.1508 -1.6820 -1.6792 0.7767 0.7966 0.9727 0.9847 1.0682 1.0684 2.9710 2.9878 3.0639 3.0644 4.2887 4.2912 4.3884 4.3950 4.4825 4.4826 5.4146 5.4165 5.7178 5.7233 5.9952 6.0014 10.6543 10.6563 12.5938 12.6207 12.6680 12.6826 12.7704 12.8097 k = 0.1023 0.0596-0.0811 ( 7912 PWs) bands (ev): -91.0901 -91.0901 -19.5153 -19.5153 -12.8816 -12.8811 -11.2761 -11.2723 -11.1051 -11.1035 -10.8310 -10.8310 -6.1690 -6.1245 -4.2369 -4.1987 -4.1677 -4.1461 -1.6634 -1.6601 0.7650 0.7843 0.9879 0.9982 1.0833 1.0833 2.9824 3.0009 3.0759 3.0765 4.2601 4.2626 4.3816 4.3889 4.4665 4.4666 5.4037 5.4060 5.7002 5.7060 5.9882 5.9948 10.6997 10.7021 12.5790 12.6091 12.6652 12.6797 12.7635 12.8057 k = 0.1136 0.0662-0.0901 ( 7913 PWs) bands (ev): -91.0901 -91.0901 -19.5146 -19.5146 -12.8781 -12.8775 -11.2783 -11.2742 -11.1144 -11.1127 -10.8324 -10.8324 -6.1693 -6.1211 -4.2391 -4.1982 -4.1653 -4.1415 -1.6429 -1.6390 0.7524 0.7709 1.0045 1.0131 1.0999 1.1001 2.9946 3.0148 3.0893 3.0900 4.2283 4.2309 4.3742 4.3822 4.4488 4.4490 5.3921 5.3947 5.6814 5.6873 5.9804 5.9872 10.7489 10.7516 12.5637 12.5964 12.6624 12.6768 12.7577 12.8021 k = 0.1250 0.0728-0.0991 ( 7919 PWs) bands (ev): -91.0901 -91.0901 -19.5138 -19.5138 -12.8741 -12.8734 -11.2808 -11.2764 -11.1245 -11.1227 -10.8340 -10.8340 -6.1693 -6.1178 -4.2407 -4.1975 -4.1628 -4.1370 -1.6205 -1.6160 0.7389 0.7565 1.0225 1.0293 1.1180 1.1184 3.0076 3.0293 3.1039 3.1047 4.1939 4.1964 4.3658 4.3745 4.4296 4.4299 5.3797 5.3827 5.6614 5.6675 5.9717 5.9788 10.8012 10.8043 12.5484 12.5829 12.6596 12.6739 12.7530 12.7989 k = 0.1364 0.0794-0.1082 ( 7926 PWs) bands (ev): -91.0901 -91.0901 -19.5129 -19.5129 -12.8696 -12.8689 -11.2836 -11.2790 -11.1354 -11.1334 -10.8356 -10.8356 -6.1689 -6.1145 -4.2417 -4.1966 -4.1602 -4.1325 -1.5964 -1.5911 0.7246 0.7413 1.0416 1.0467 1.1376 1.1382 3.0212 3.0443 3.1199 3.1207 4.1571 4.1594 4.3560 4.3652 4.4097 4.4098 5.3667 5.3701 5.6405 5.6466 5.9623 5.9695 10.8561 10.8595 12.5340 12.5696 12.6567 12.6710 12.7497 12.7963 k = 0.1477 0.0861-0.1172 ( 7927 PWs) bands (ev): -91.0901 -91.0901 -19.5120 -19.5120 -12.8647 -12.8639 -11.2869 -11.2822 -11.1468 -11.1448 -10.8374 -10.8374 -6.1682 -6.1111 -4.2421 -4.1955 -4.1574 -4.1281 -1.5705 -1.5645 0.7096 0.7255 1.0618 1.0654 1.1587 1.1595 3.0352 3.0596 3.1371 3.1380 4.1182 4.1203 4.3439 4.3531 4.3895 4.3901 5.3533 5.3572 5.6188 5.6249 5.9522 5.9595 10.9127 10.9166 12.5212 12.5572 12.6537 12.6682 12.7476 12.7945 k = 0.1591 0.0927-0.1262 ( 7927 PWs) bands (ev): -91.0901 -91.0901 -19.5110 -19.5110 -12.8593 -12.8584 -11.2908 -11.2860 -11.1588 -11.1567 -10.8392 -10.8392 -6.1670 -6.1078 -4.2420 -4.1941 -4.1546 -4.1237 -1.5430 -1.5363 0.6939 0.7089 1.0830 1.0851 1.1811 1.1822 3.0494 3.0750 3.1554 3.1565 4.0775 4.0795 4.3283 4.3362 4.3703 4.3726 5.3397 5.3440 5.5963 5.6023 5.9414 5.9487 10.9702 10.9745 12.5108 12.5468 12.6507 12.6655 12.7467 12.7933 k = 0.1705 0.0993-0.1352 ( 7928 PWs) bands (ev): -91.0901 -91.0901 -19.5100 -19.5100 -12.8535 -12.8524 -11.2953 -11.2907 -11.1709 -11.1689 -10.8412 -10.8411 -6.1654 -6.1044 -4.2412 -4.1925 -4.1517 -4.1195 -1.5139 -1.5065 0.6776 0.6919 1.1050 1.1058 1.2049 1.2061 3.0638 3.0903 3.1750 3.1761 4.0354 4.0371 4.3078 4.3139 4.3533 4.3582 5.3259 5.3306 5.5732 5.5791 5.9301 5.9374 11.0277 11.0325 12.5038 12.5394 12.6476 12.6628 12.7471 12.7930 k = 0.1818 0.1059-0.1442 ( 7935 PWs) bands (ev): -91.0901 -91.0901 -19.5090 -19.5090 -12.8470 -12.8459 -11.3008 -11.2964 -11.1831 -11.1813 -10.8432 -10.8432 -6.1635 -6.1011 -4.2398 -4.1907 -4.1487 -4.1153 -1.4834 -1.4752 0.6608 0.6743 1.1274 1.1276 1.2299 1.2313 3.0780 3.1054 3.1956 3.1968 3.9921 3.9935 4.2829 4.2874 4.3384 4.3454 5.3121 5.3172 5.5495 5.5552 5.9183 5.9255 11.0843 11.0895 12.5013 12.5360 12.6445 12.6602 12.7487 12.7935 k = 0.1932 0.1126-0.1532 ( 7939 PWs) bands (ev): -91.0901 -91.0901 -19.5079 -19.5079 -12.8401 -12.8389 -11.3074 -11.3033 -11.1950 -11.1934 -10.8452 -10.8452 -6.1611 -6.0978 -4.2378 -4.1886 -4.1456 -4.1111 -1.4515 -1.4426 0.6436 0.6564 1.1497 1.1509 1.2561 1.2575 3.0920 3.1201 3.2172 3.2185 3.9480 3.9490 4.2547 4.2581 4.3245 4.3329 5.2985 5.3040 5.5253 5.5308 5.9061 5.9133 11.1387 11.1444 12.5041 12.5375 12.6414 12.6580 12.7516 12.7947 k = 0.2045 0.1192-0.1622 ( 7947 PWs) bands (ev): -91.0901 -91.0901 -19.5068 -19.5068 -12.8327 -12.8314 -11.3154 -11.3119 -11.2062 -11.2051 -10.8474 -10.8474 -6.1584 -6.0945 -4.2351 -4.1863 -4.1424 -4.1070 -1.4183 -1.4087 0.6260 0.6381 1.1726 1.1745 1.2834 1.2849 3.1056 3.1343 3.2397 3.2412 3.9033 3.9039 4.2242 4.2269 4.3107 4.3202 5.2852 5.2911 5.5006 5.5059 5.8937 5.9007 11.1900 11.1961 12.5133 12.5447 12.6383 12.6562 12.7557 12.7967 k = 0.2159 0.1258-0.1713 ( 7941 PWs) bands (ev): -91.0901 -91.0901 -19.5057 -19.5057 -12.8247 -12.8233 -11.3251 -11.3224 -11.2164 -11.2160 -10.8496 -10.8495 -6.1553 -6.0912 -4.2319 -4.1837 -4.1391 -4.1029 -1.3839 -1.3736 0.6080 0.6195 1.1960 1.1984 1.3116 1.3132 3.1186 3.1477 3.2631 3.2647 3.8584 3.8585 4.1920 4.1942 4.2967 4.3069 5.2722 5.2785 5.4754 5.4805 5.8811 5.8879 11.2372 11.2438 12.5295 12.5577 12.6352 12.6553 12.7611 12.7994 k = 0.2273 0.1324-0.1803 ( 7942 PWs) bands (ev): -91.0901 -91.0901 -19.5045 -19.5045 -12.8162 -12.8146 -11.3367 -11.3348 -11.2258 -11.2255 -10.8518 -10.8517 -6.1519 -6.0879 -4.2281 -4.1810 -4.1358 -4.0989 -1.3484 -1.3375 0.5898 0.6005 1.2197 1.2225 1.3408 1.3423 3.1311 3.1604 3.2872 3.2889 3.8131 3.8136 4.1585 4.1603 4.2821 4.2929 5.2599 5.2664 5.4498 5.4546 5.8684 5.8751 11.2796 11.2866 12.5531 12.5757 12.6322 12.6563 12.7681 12.8026 k = 0.2386 0.1390-0.1893 ( 7951 PWs) bands (ev): -91.0901 -91.0901 -19.5034 -19.5034 -12.8071 -12.8055 -11.3503 -11.3492 -11.2343 -11.2334 -10.8540 -10.8540 -6.1482 -6.0847 -4.2239 -4.1781 -4.1323 -4.0949 -1.3119 -1.3004 0.5712 0.5813 1.2436 1.2466 1.3707 1.3722 3.1427 3.1721 3.3118 3.3138 3.7680 3.7691 4.1240 4.1255 4.2668 4.2781 5.2481 5.2548 5.4237 5.4282 5.8558 5.8622 11.3167 11.3240 12.5836 12.5954 12.6297 12.6619 12.7772 12.8061 k = 0.2500 0.1457-0.1983 ( 7958 PWs) bands (ev): -91.0901 -91.0901 -19.5022 -19.5022 -12.7976 -12.7958 -11.3657 -11.3655 -11.2417 -11.2401 -10.8562 -10.8562 -6.1442 -6.0815 -4.2191 -4.1751 -4.1288 -4.0909 -1.2744 -1.2624 0.5523 0.5619 1.2675 1.2706 1.4014 1.4029 3.1535 3.1827 3.3369 3.3390 3.7235 3.7254 4.0890 4.0901 4.2510 4.2625 5.2371 5.2440 5.3972 5.4014 5.8434 5.8496 11.3484 11.3560 12.6104 12.6149 12.6331 12.6765 12.7896 12.8098 k = 0.2614 0.1523-0.2073 ( 7962 PWs) bands (ev): -91.0901 -91.0901 -19.5011 -19.5011 -12.7875 -12.7857 -11.3834 -11.3829 -11.2479 -11.2458 -10.8585 -10.8584 -6.1399 -6.0784 -4.2140 -4.1719 -4.1252 -4.0869 -1.2361 -1.2237 0.5331 0.5421 1.2912 1.2943 1.4326 1.4340 3.1633 3.1921 3.3622 3.3645 3.6798 3.6826 4.0537 4.0545 4.2345 4.2462 5.2268 5.2338 5.3702 5.3741 5.8312 5.8371 11.3748 11.3826 12.6173 12.6192 12.6686 12.6993 12.8077 12.8133 k = 0.2727 0.1589-0.2163 ( 7969 PWs) bands (ev): -91.0901 -91.0901 -19.4999 -19.4999 -12.7769 -12.7750 -11.4026 -11.4014 -11.2533 -11.2506 -10.8607 -10.8607 -6.1354 -6.0753 -4.2086 -4.1687 -4.1215 -4.0830 -1.1970 -1.1843 0.5137 0.5221 1.3146 1.3176 1.4642 1.4656 3.1720 3.2002 3.3874 3.3899 3.6373 3.6411 4.0187 4.0190 4.2175 4.2291 5.2174 5.2244 5.3428 5.3464 5.8193 5.8249 11.3967 11.4046 12.6165 12.6191 12.7135 12.7216 12.8168 12.8343 k = 0.2841 0.1655-0.2253 ( 7971 PWs) bands (ev): -91.0901 -91.0901 -19.4988 -19.4988 -12.7659 -12.7639 -11.4229 -11.4212 -11.2578 -11.2549 -10.8629 -10.8629 -6.1307 -6.0723 -4.2028 -4.1654 -4.1177 -4.0791 -1.1573 -1.1443 0.4939 0.5018 1.3376 1.3403 1.4962 1.4976 3.1795 3.2069 3.4121 3.4149 3.5963 3.6013 3.9842 3.9842 4.2000 4.2115 5.2089 5.2158 5.3151 5.3183 5.8078 5.8131 11.4147 11.4226 12.6130 12.6187 12.7369 12.7559 12.8220 12.8690 k = 0.2955 0.1721-0.2344 ( 7972 PWs) bands (ev): -91.0901 -91.0901 -19.4977 -19.4977 -12.7545 -12.7524 -11.4440 -11.4418 -11.2617 -11.2586 -10.8651 -10.8650 -6.1258 -6.0694 -4.1969 -4.1620 -4.1137 -4.0753 -1.1171 -1.1039 0.4738 0.4812 1.3599 1.3624 1.5284 1.5298 3.1858 3.2120 3.4358 3.4390 3.5572 3.5635 3.9506 3.9511 4.1821 4.1933 5.2011 5.2080 5.2869 5.2899 5.7968 5.8018 11.4297 11.4375 12.6092 12.6172 12.7441 12.7820 12.8377 12.9058 k = 0.3068 0.1788-0.2434 ( 7969 PWs) bands (ev): -91.0901 -91.0901 -19.4966 -19.4966 -12.7426 -12.7405 -11.4657 -11.4631 -11.2652 -11.2619 -10.8672 -10.8671 -6.1209 -6.0666 -4.1909 -4.1586 -4.1097 -4.0715 -1.0765 -1.0631 0.4533 0.4602 1.3816 1.3837 1.5607 1.5620 3.1907 3.2154 3.4578 3.4614 3.5203 3.5280 3.9189 3.9199 4.1639 4.1747 5.1942 5.2008 5.2586 5.2612 5.7863 5.7910 11.4427 11.4502 12.6048 12.6152 12.7438 12.7834 12.8676 12.9369 k = 0.3182 0.1854-0.2524 ( 7971 PWs) bands (ev): -91.0901 -91.0901 -19.4956 -19.4956 -12.7305 -12.7282 -11.4877 -11.4849 -11.2682 -11.2648 -10.8693 -10.8692 -6.1158 -6.0639 -4.1848 -4.1553 -4.1056 -4.0679 -1.0356 -1.0222 0.4325 0.4389 1.4024 1.4041 1.5929 1.5941 3.1942 3.2169 3.4738 3.4805 3.4893 3.4962 3.8902 3.8917 4.1456 4.1559 5.1880 5.1942 5.2302 5.2324 5.7763 5.7807 11.4544 11.4616 12.5996 12.6128 12.7356 12.7709 12.8975 12.9577 k = 0.3295 0.1920-0.2614 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4946 -19.4946 -12.7181 -12.7158 -11.5100 -11.5069 -11.2708 -11.2675 -10.8713 -10.8712 -6.1107 -6.0613 -4.1788 -4.1520 -4.1014 -4.0643 -0.9945 -0.9813 0.4113 0.4173 1.4222 1.4236 1.6248 1.6260 3.1961 3.2165 3.4512 3.4642 3.4960 3.4990 3.8657 3.8677 4.1272 4.1370 5.1818 5.1868 5.2033 5.2042 5.7670 5.7711 11.4656 11.4724 12.5933 12.6100 12.7187 12.7497 12.9217 12.9686 k = 0.3409 0.1986-0.2704 ( 7968 PWs) bands (ev): -91.0901 -91.0901 -19.4936 -19.4936 -12.7055 -12.7031 -11.5322 -11.5290 -11.2732 -11.2700 -10.8732 -10.8731 -6.1056 -6.0590 -4.1729 -4.1489 -4.0971 -4.0609 -0.9535 -0.9404 0.3897 0.3953 1.4410 1.4419 1.6563 1.6575 3.1963 3.2139 3.4225 3.4379 3.5070 3.5103 3.8469 3.8493 4.1091 4.1182 5.1683 5.1688 5.1835 5.1880 5.7582 5.7620 11.4769 11.4833 12.5846 12.6065 12.6932 12.7223 12.9407 12.9738 k = 0.3523 0.2052-0.2794 ( 7967 PWs) bands (ev): -91.0901 -91.0901 -19.4927 -19.4927 -12.6928 -12.6904 -11.5542 -11.5510 -11.2754 -11.2722 -10.8750 -10.8749 -6.1005 -6.0568 -4.1672 -4.1458 -4.0927 -4.0576 -0.9126 -0.8998 0.3678 0.3730 1.4586 1.4592 1.6871 1.6884 3.1947 3.2091 3.3968 3.4148 3.5122 3.5154 3.8351 3.8377 4.0912 4.0996 5.1408 5.1422 5.1772 5.1826 5.7501 5.7536 11.4889 11.4948 12.5715 12.6008 12.6612 12.6922 12.9560 12.9774 k = 0.3636 0.2119-0.2884 ( 7959 PWs) bands (ev): -91.0901 -91.0901 -19.4918 -19.4918 -12.6801 -12.6777 -11.5759 -11.5726 -11.2773 -11.2743 -10.8767 -10.8767 -6.0955 -6.0547 -4.1618 -4.1429 -4.0882 -4.0545 -0.8721 -0.8597 0.3456 0.3505 1.4750 1.4752 1.7172 1.7185 3.1911 3.2022 3.3745 3.3952 3.5109 3.5137 3.8311 3.8337 4.0738 4.0814 5.1124 5.1137 5.1738 5.1788 5.7426 5.7458 11.5020 11.5073 12.5506 12.5862 12.6310 12.6647 12.9690 12.9817 k = 0.3750 0.2185-0.2974 ( 7969 PWs) bands (ev): -91.0901 -91.0901 -19.4910 -19.4910 -12.6675 -12.6652 -11.5970 -11.5937 -11.2790 -11.2761 -10.8784 -10.8783 -6.0907 -6.0530 -4.1567 -4.1402 -4.0837 -4.0516 -0.8323 -0.8204 0.3232 0.3277 1.4900 1.4901 1.7463 1.7475 3.1856 3.1935 3.3559 3.3790 3.5033 3.5053 3.8344 3.8369 4.0571 4.0638 5.0842 5.0854 5.1712 5.1759 5.7358 5.7387 11.5164 11.5212 12.5193 12.5514 12.6160 12.6441 12.9807 12.9871 k = 0.3864 0.2251-0.3065 ( 7971 PWs) bands (ev): -91.0901 -91.0901 -19.4902 -19.4902 -12.6551 -12.6529 -11.6172 -11.6140 -11.2806 -11.2779 -10.8799 -10.8798 -6.0859 -6.0514 -4.1520 -4.1377 -4.0792 -4.0490 -0.7933 -0.7820 0.3007 0.3049 1.5034 1.5038 1.7741 1.7753 3.1784 3.1836 3.3409 3.3658 3.4908 3.4919 3.8438 3.8459 4.0411 4.0471 5.0567 5.0576 5.1692 5.1735 5.7296 5.7322 11.5325 11.5366 12.4786 12.5043 12.6103 12.6307 12.9915 12.9936 k = 0.3977 0.2317-0.3155 ( 7972 PWs) bands (ev): -91.0901 -91.0901 -19.4895 -19.4895 -12.6432 -12.6410 -11.6365 -11.6334 -11.2819 -11.2794 -10.8813 -10.8812 -6.0813 -6.0501 -4.1476 -4.1354 -4.0746 -4.0467 -0.7555 -0.7448 0.2784 0.2822 1.5156 1.5162 1.8005 1.8017 3.1699 3.1728 3.3291 3.3552 3.4750 3.4751 3.8574 3.8591 4.0262 4.0313 5.0300 5.0308 5.1677 5.1716 5.7240 5.7264 11.5502 11.5537 12.4323 12.4530 12.6072 12.6221 13.0009 13.0014 k = 0.4091 0.2383-0.3245 ( 7975 PWs) bands (ev): -91.0901 -91.0901 -19.4889 -19.4889 -12.6318 -12.6297 -11.6546 -11.6517 -11.2831 -11.2808 -10.8825 -10.8825 -6.0770 -6.0491 -4.1437 -4.1333 -4.0702 -4.0447 -0.7193 -0.7094 0.2564 0.2599 1.5265 1.5272 1.8251 1.8262 3.1607 3.1620 3.3202 3.3464 3.4568 3.4576 3.8735 3.8747 4.0124 4.0167 5.0045 5.0052 5.1667 5.1701 5.7191 5.7211 11.5696 11.5724 12.3834 12.4006 12.6051 12.6162 13.0084 13.0106 k = 0.4205 0.2450-0.3335 ( 7981 PWs) bands (ev): -91.0901 -91.0901 -19.4883 -19.4883 -12.6211 -12.6192 -11.6712 -11.6685 -11.2841 -11.2821 -10.8837 -10.8836 -6.0729 -6.0484 -4.1402 -4.1315 -4.0659 -4.0431 -0.6850 -0.6760 0.2350 0.2383 1.5361 1.5369 1.8477 1.8488 3.1513 3.1515 3.3135 3.3390 3.4383 3.4400 3.8905 3.8913 4.0001 4.0035 4.9806 4.9812 5.1659 5.1689 5.7148 5.7166 11.5905 11.5927 12.3342 12.3486 12.6034 12.6120 13.0158 13.0189 k = 0.4318 0.2516-0.3425 ( 7969 PWs) bands (ev): -91.0901 -91.0901 -19.4878 -19.4878 -12.6114 -12.6096 -11.6861 -11.6837 -11.2850 -11.2832 -10.8847 -10.8846 -6.0690 -6.0479 -4.1371 -4.1299 -4.0618 -4.0418 -0.6533 -0.6452 0.2148 0.2177 1.5443 1.5451 1.8681 1.8691 3.1418 3.1423 3.3086 3.3326 3.4207 3.4233 3.9072 3.9076 3.9894 3.9920 4.9587 4.9591 5.1654 5.1679 5.7111 5.7126 11.6126 11.6142 12.2861 12.2983 12.6022 12.6088 13.0229 13.0264 k = 0.4432 0.2582-0.3515 ( 7969 PWs) bands (ev): -91.0901 -91.0901 -19.4874 -19.4874 -12.6027 -12.6011 -11.6992 -11.6971 -11.2857 -11.2842 -10.8855 -10.8855 -6.0654 -6.0478 -4.1345 -4.1287 -4.0579 -4.0410 -0.6245 -0.6176 0.1962 0.1987 1.5513 1.5521 1.8859 1.8868 3.1333 3.1341 3.3052 3.3268 3.4051 3.4081 3.9223 3.9223 3.9809 3.9826 4.9392 4.9395 5.1651 5.1672 5.7080 5.7092 11.6353 11.6363 12.2406 12.2508 12.6012 12.6063 13.0294 13.0328 k = 0.4545 0.2648-0.3605 ( 7973 PWs) bands (ev): -91.0901 -91.0901 -19.4870 -19.4870 -12.5952 -12.5940 -11.7102 -11.7085 -11.2862 -11.2850 -10.8862 -10.8862 -6.0622 -6.0480 -4.1322 -4.1277 -4.0543 -4.0406 -0.5995 -0.5937 0.1797 0.1818 1.5570 1.5577 1.9009 1.9016 3.1261 3.1270 3.3028 3.3214 3.3921 3.3951 3.9340 3.9345 3.9752 3.9760 4.9224 4.9226 5.1650 5.1666 5.7055 5.7065 11.6577 11.6582 12.1991 12.2074 12.6005 12.6043 13.0350 13.0381 k = 0.4659 0.2715-0.3696 ( 7969 PWs) bands (ev): -91.0901 -91.0901 -19.4867 -19.4867 -12.5892 -12.5882 -11.7189 -11.7176 -11.2866 -11.2857 -10.8868 -10.8868 -6.0592 -6.0486 -4.1304 -4.1271 -4.0511 -4.0407 -0.5789 -0.5744 0.1660 0.1677 1.5614 1.5620 1.9129 1.9135 3.1205 3.1213 3.3015 3.3162 3.3820 3.3847 3.9413 3.9422 3.9732 3.9733 4.9088 4.9090 5.1649 5.1662 5.7036 5.7043 11.6785 11.6786 12.1633 12.1697 12.6000 12.6028 13.0397 13.0421 k = 0.4773 0.2781-0.3786 ( 7973 PWs) bands (ev): -91.0901 -91.0901 -19.4865 -19.4865 -12.5847 -12.5840 -11.7252 -11.7243 -11.2868 -11.2862 -10.8872 -10.8871 -6.0566 -6.0495 -4.1289 -4.1268 -4.0482 -4.0413 -0.5633 -0.5602 0.1558 0.1569 1.5646 1.5650 1.9216 1.9220 3.1164 3.1170 3.3013 3.3114 3.3750 3.3771 3.9439 3.9448 3.9745 3.9748 4.8989 4.8990 5.1650 5.1658 5.7022 5.7027 11.6957 11.6958 12.1354 12.1398 12.5998 12.6016 13.0433 13.0450 k = 0.4886 0.2847-0.3876 ( 7968 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5819 -12.5816 -11.7289 -11.7284 -11.2869 -11.2866 -10.8874 -10.8874 -6.0543 -6.0507 -4.1278 -4.1268 -4.0458 -4.0423 -0.5533 -0.5518 0.1495 0.1501 1.5666 1.5668 1.9270 1.9272 3.1141 3.1144 3.3021 3.3073 3.3712 3.3723 3.9442 3.9448 3.9769 3.9771 4.8927 4.8928 5.1651 5.1656 5.7015 5.7017 11.7074 11.7075 12.1177 12.1199 12.5999 12.6007 13.0456 13.0465 k = 0.5000 0.2913-0.3966 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5809 -12.5809 -11.7300 -11.7300 -11.2868 -11.2868 -10.8875 -10.8875 -6.0523 -6.0523 -4.1271 -4.1271 -4.0438 -4.0438 -0.5494 -0.5494 0.1476 0.1476 1.5673 1.5673 1.9288 1.9288 3.1134 3.1134 3.3041 3.3041 3.3703 3.3703 3.9443 3.9443 3.9781 3.9781 4.8907 4.8907 5.1653 5.1653 5.7013 5.7013 11.7117 11.7117 12.1123 12.1123 12.6002 12.6002 13.0467 13.0467 k = 0.5000 0.2913-0.3966 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5809 -12.5809 -11.7300 -11.7300 -11.2868 -11.2868 -10.8875 -10.8875 -6.0523 -6.0523 -4.1271 -4.1271 -4.0438 -4.0438 -0.5494 -0.5494 0.1476 0.1476 1.5673 1.5673 1.9288 1.9288 3.1134 3.1134 3.3041 3.3041 3.3703 3.3703 3.9443 3.9443 3.9781 3.9781 4.8907 4.8907 5.1653 5.1653 5.7013 5.7013 11.7117 11.7117 12.1123 12.1123 12.6002 12.6002 13.0467 13.0467 k = 0.5078 0.2958-0.3835 ( 7972 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5809 -12.5807 -11.7310 -11.7300 -11.2866 -11.2862 -10.8874 -10.8874 -6.0561 -6.0487 -4.1287 -4.1263 -4.0475 -4.0398 -0.5489 -0.5485 0.1474 0.1475 1.5671 1.5677 1.9280 1.9280 3.1101 3.1133 3.3034 3.3067 3.3706 3.3714 3.9450 3.9462 3.9785 3.9789 4.8907 4.8908 5.1629 5.1639 5.7016 5.7017 11.7075 11.7111 12.1134 12.1138 12.6007 12.6012 13.0421 13.0525 k = 0.5155 0.3004-0.3703 ( 7972 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5808 -12.5804 -11.7329 -11.7310 -11.2854 -11.2847 -10.8872 -10.8872 -6.0600 -6.0454 -4.1310 -4.1263 -4.0509 -4.0356 -0.5471 -0.5463 0.1472 0.1474 1.5669 1.5682 1.9254 1.9255 3.1037 3.1100 3.3043 3.3109 3.3722 3.3738 3.9480 3.9504 3.9801 3.9811 4.8909 4.8911 5.1567 5.1587 5.7024 5.7027 11.6989 11.7059 12.1174 12.1181 12.6029 12.6038 13.0387 13.0592 k = 0.5233 0.3049-0.3572 ( 7976 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5807 -12.5801 -11.7358 -11.7330 -11.2833 -11.2823 -10.8868 -10.8868 -6.0641 -6.0422 -4.1340 -4.1269 -4.0540 -4.0312 -0.5441 -0.5428 0.1469 0.1471 1.5669 1.5687 1.9212 1.9213 3.0943 3.1035 3.3069 3.3169 3.3753 3.3775 3.9533 3.9564 3.9832 3.9850 4.8913 4.8915 5.1468 5.1497 5.7038 5.7042 11.6861 11.6963 12.1241 12.1249 12.6066 12.6081 13.0364 13.0666 k = 0.5311 0.3094-0.3441 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5804 -12.5797 -11.7395 -11.7358 -11.2804 -11.2792 -10.8863 -10.8863 -6.0683 -6.0393 -4.1376 -4.1282 -4.0569 -4.0267 -0.5399 -0.5382 0.1466 0.1469 1.5670 1.5694 1.9153 1.9155 3.0824 3.0941 3.3111 3.3244 3.3796 3.3826 3.9601 3.9634 3.9881 3.9911 4.8918 4.8921 5.1332 5.1372 5.7059 5.7064 11.6696 11.6825 12.1334 12.1342 12.6119 12.6138 13.0350 13.0744 k = 0.5389 0.3140-0.3310 ( 7979 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5801 -12.5792 -11.7439 -11.7395 -11.2767 -11.2754 -10.8857 -10.8857 -6.0726 -6.0366 -4.1418 -4.1300 -4.0596 -4.0221 -0.5348 -0.5325 0.1464 0.1468 1.5672 1.5703 1.9079 1.9080 3.0681 3.0820 3.3168 3.3334 3.3852 3.3888 3.9676 3.9706 3.9954 4.0000 4.8924 4.8928 5.1162 5.1212 5.7085 5.7091 11.6499 11.6652 12.1453 12.1459 12.6187 12.6210 13.0343 13.0823 k = 0.5466 0.3185-0.3178 ( 7973 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5798 -12.5787 -11.7488 -11.7437 -11.2724 -11.2710 -10.8849 -10.8849 -6.0770 -6.0342 -4.1464 -4.1324 -4.0622 -4.0175 -0.5290 -0.5262 0.1466 0.1470 1.5677 1.5712 1.8988 1.8990 3.0518 3.0675 3.3239 3.3437 3.3920 3.3962 3.9750 3.9775 4.0057 4.0119 4.8932 4.8938 5.0959 5.1019 5.7116 5.7124 11.6275 11.6447 12.1597 12.1599 12.6269 12.6296 13.0339 13.0899 k = 0.5544 0.3230-0.3047 ( 7981 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5795 -12.5783 -11.7542 -11.7485 -11.2675 -11.2660 -10.8840 -10.8840 -6.0815 -6.0321 -4.1513 -4.1352 -4.0647 -4.0131 -0.5228 -0.5194 0.1473 0.1478 1.5684 1.5724 1.8883 1.8884 3.0341 3.0511 3.3322 3.3551 3.3999 3.4045 3.9823 3.9843 4.0186 4.0263 4.8943 4.8949 5.0726 5.0797 5.7153 5.7161 11.6030 11.6218 12.1761 12.1765 12.6365 12.6395 13.0337 13.0968 k = 0.5622 0.3275-0.2916 ( 7979 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5792 -12.5779 -11.7598 -11.7537 -11.2621 -11.2607 -10.8830 -10.8830 -6.0860 -6.0302 -4.1564 -4.1384 -4.0672 -4.0088 -0.5166 -0.5125 0.1489 0.1493 1.5692 1.5737 1.8762 1.8764 3.0151 3.0331 3.3416 3.3673 3.4090 3.4138 3.9896 3.9914 4.0337 4.0425 4.8954 4.8963 5.0466 5.0548 5.7194 5.7204 11.5770 11.5970 12.1945 12.1956 12.6473 12.6506 13.0332 13.1027 k = 0.5700 0.3321-0.2784 ( 7971 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5791 -12.5776 -11.7654 -11.7590 -11.2563 -11.2551 -10.8819 -10.8819 -6.0905 -6.0286 -4.1617 -4.1420 -4.0697 -4.0047 -0.5107 -0.5059 0.1515 0.1520 1.5704 1.5752 1.8629 1.8630 2.9953 3.0140 3.3518 3.3800 3.4191 3.4239 3.9973 3.9991 4.0502 4.0598 4.8967 4.8980 5.0185 5.0276 5.7241 5.7251 11.5499 11.5709 12.2149 12.2169 12.6593 12.6629 13.0323 13.1074 k = 0.5777 0.3366-0.2653 ( 7975 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5791 -12.5776 -11.7710 -11.7643 -11.2502 -11.2493 -10.8806 -10.8806 -6.0950 -6.0273 -4.1671 -4.1458 -4.0724 -4.0009 -0.5055 -0.5000 0.1556 0.1560 1.5717 1.5768 1.8481 1.8483 2.9750 2.9940 3.3628 3.3930 3.4304 3.4347 4.0057 4.0075 4.0675 4.0778 4.8980 4.8998 4.9886 4.9985 5.7292 5.7303 11.5222 11.5439 12.2374 12.2403 12.6723 12.6761 13.0307 13.1108 k = 0.5855 0.3411-0.2522 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5794 -12.5777 -11.7763 -11.7694 -11.2439 -11.2433 -10.8793 -10.8793 -6.0995 -6.0264 -4.1724 -4.1499 -4.0751 -3.9974 -0.5016 -0.4953 0.1615 0.1618 1.5732 1.5786 1.8322 1.8324 2.9545 2.9735 3.3742 3.4057 3.4427 3.4460 4.0150 4.0168 4.0851 4.0959 4.8988 4.9019 4.9580 4.9681 5.7347 5.7359 11.4944 11.5166 12.2617 12.2657 12.6862 12.6902 13.0283 13.1128 k = 0.5933 0.3457-0.2391 ( 7975 PWs) bands (ev): -91.0901 -91.0901 -19.4865 -19.4865 -12.5799 -12.5782 -11.7812 -11.7742 -11.2374 -11.2372 -10.8778 -10.8778 -6.1039 -6.0257 -4.1776 -4.1541 -4.0780 -3.9943 -0.4993 -0.4922 0.1695 0.1696 1.5749 1.5805 1.8151 1.8152 2.9343 2.9528 3.3858 3.4179 3.4560 3.4578 4.0252 4.0271 4.1024 4.1139 4.8965 4.9039 4.9300 4.9373 5.7405 5.7418 11.4669 11.4894 12.2878 12.2929 12.7008 12.7050 13.0251 13.1133 k = 0.6011 0.3502-0.2259 ( 7969 PWs) bands (ev): -91.0901 -91.0901 -19.4866 -19.4865 -12.5808 -12.5790 -11.7855 -11.7786 -11.2312 -11.2310 -10.8763 -10.8763 -6.1082 -6.0253 -4.1827 -4.1585 -4.0811 -3.9915 -0.4990 -0.4912 0.1798 0.1799 1.5767 1.5824 1.7969 1.7970 2.9144 2.9324 3.3975 3.4292 3.4697 3.4703 4.0365 4.0386 4.1191 4.1311 4.8801 4.8995 4.9131 4.9161 5.7467 5.7481 11.4401 11.4628 12.3155 12.3220 12.7160 12.7203 13.0209 13.1124 k = 0.6088 0.3547-0.2128 ( 7961 PWs) bands (ev): -91.0901 -91.0901 -19.4866 -19.4866 -12.5821 -12.5803 -11.7891 -11.7823 -11.2252 -11.2245 -10.8747 -10.8747 -6.1124 -6.0252 -4.1876 -4.1630 -4.0843 -3.9891 -0.5012 -0.4926 0.1925 0.1930 1.5786 1.5843 1.7777 1.7778 2.8953 2.9124 3.4088 3.4397 3.4818 3.4850 4.0490 4.0512 4.1347 4.1471 4.8513 4.8721 4.9127 4.9154 5.7533 5.7547 11.4142 11.4371 12.3446 12.3525 12.7315 12.7360 13.0159 13.1102 k = 0.6166 0.3593-0.1997 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4868 -19.4867 -12.5838 -12.5820 -11.7919 -11.7853 -11.2193 -11.2181 -10.8730 -10.8730 -6.1166 -6.0254 -4.1922 -4.1675 -4.0877 -3.9872 -0.5060 -0.4967 0.2080 0.2089 1.5804 1.5861 1.7577 1.7577 2.8772 2.8931 3.4197 3.4492 3.4938 3.4999 4.0625 4.0649 4.1487 4.1615 4.8211 4.8428 4.9161 4.9179 5.7601 5.7615 11.3896 11.4126 12.3749 12.3844 12.7472 12.7518 13.0103 13.1069 k = 0.6244 0.3638-0.1866 ( 7962 PWs) bands (ev): -91.0901 -91.0901 -19.4869 -19.4869 -12.5861 -12.5843 -11.7937 -11.7874 -11.2135 -11.2117 -10.8712 -10.8712 -6.1205 -6.0259 -4.1965 -4.1720 -4.0912 -3.9858 -0.5137 -0.5037 0.2263 0.2277 1.5821 1.5877 1.7367 1.7368 2.8604 2.8750 3.4298 3.4577 3.5055 3.5145 4.0772 4.0799 4.1606 4.1737 4.7922 4.8152 4.9203 4.9217 5.7671 5.7686 11.3665 11.3896 12.4062 12.4174 12.7629 12.7677 13.0041 13.1027 k = 0.6244 0.3638-0.1866 ( 7962 PWs) bands (ev): -91.0901 -91.0901 -19.4869 -19.4869 -12.5861 -12.5843 -11.7937 -11.7874 -11.2135 -11.2117 -10.8712 -10.8712 -6.1205 -6.0259 -4.1965 -4.1720 -4.0912 -3.9858 -0.5137 -0.5037 0.2263 0.2277 1.5821 1.5877 1.7367 1.7368 2.8604 2.8750 3.4298 3.4577 3.5055 3.5145 4.0772 4.0799 4.1606 4.1737 4.7922 4.8152 4.9203 4.9217 5.7671 5.7686 11.3665 11.3896 12.4062 12.4174 12.7629 12.7677 13.0041 13.1027 k = 0.6196 0.3610-0.1713 ( 7962 PWs) bands (ev): -91.0901 -91.0901 -19.4870 -19.4870 -12.5888 -12.5872 -11.7906 -11.7846 -11.2123 -11.2102 -10.8698 -10.8698 -6.1241 -6.0263 -4.1997 -4.1761 -4.0949 -3.9845 -0.5212 -0.5126 0.2387 0.2410 1.5825 1.5877 1.7250 1.7251 2.8581 2.8732 3.4373 3.4686 3.5130 3.5197 4.0744 4.0770 4.1640 4.1773 4.7725 4.7961 4.9398 4.9408 5.7668 5.7682 11.3631 11.3858 12.4203 12.4321 12.7691 12.7733 13.0145 13.1148 k = 0.6148 0.3582-0.1560 ( 7959 PWs) bands (ev): -91.0901 -91.0901 -19.4872 -19.4872 -12.5926 -12.5913 -11.7857 -11.7801 -11.2110 -11.2086 -10.8683 -10.8683 -6.1277 -6.0272 -4.2029 -4.1804 -4.0990 -3.9840 -0.5329 -0.5257 0.2551 0.2583 1.5821 1.5870 1.7122 1.7123 2.8568 2.8726 3.4453 3.4806 3.5208 3.5238 4.0693 4.0718 4.1673 4.1807 4.7542 4.7784 4.9619 4.9627 5.7670 5.7683 11.3591 11.3813 12.4382 12.4506 12.7753 12.7788 13.0250 13.1268 k = 0.6100 0.3554-0.1408 ( 7959 PWs) bands (ev): -91.0901 -91.0901 -19.4874 -19.4874 -12.5973 -12.5963 -11.7793 -11.7742 -11.2098 -11.2070 -10.8668 -10.8668 -6.1312 -6.0287 -4.2058 -4.1849 -4.1033 -3.9842 -0.5484 -0.5425 0.2752 0.2792 1.5810 1.5855 1.6984 1.6986 2.8565 2.8728 3.4536 3.4935 3.5270 3.5288 4.0624 4.0647 4.1704 4.1835 4.7375 4.7625 4.9860 4.9866 5.7677 5.7688 11.3546 11.3762 12.4595 12.4725 12.7816 12.7844 13.0357 13.1388 k = 0.6052 0.3526-0.1255 ( 7963 PWs) bands (ev): -91.0901 -91.0901 -19.4876 -19.4876 -12.6030 -12.6022 -11.7715 -11.7669 -11.2086 -11.2054 -10.8651 -10.8651 -6.1347 -6.0306 -4.2086 -4.1894 -4.1079 -3.9853 -0.5669 -0.5622 0.2983 0.3032 1.5791 1.5831 1.6840 1.6842 2.8569 2.8736 3.4617 3.5070 3.5294 3.5373 4.0539 4.0562 4.1729 4.1854 4.7230 4.7485 5.0115 5.0120 5.7689 5.7699 11.3497 11.3707 12.4838 12.4972 12.7880 12.7900 13.0468 13.1509 k = 0.6005 0.3498-0.1103 ( 7968 PWs) bands (ev): -91.0901 -91.0901 -19.4879 -19.4879 -12.6094 -12.6088 -11.7625 -11.7584 -11.2073 -11.2038 -10.8634 -10.8634 -6.1380 -6.0330 -4.2113 -4.1941 -4.1127 -3.9871 -0.5878 -0.5843 0.3241 0.3296 1.5765 1.5800 1.6692 1.6694 2.8579 2.8751 3.4693 3.5204 3.5312 3.5463 4.0444 4.0466 4.1745 4.1862 4.7109 4.7368 5.0381 5.0385 5.7707 5.7717 11.3445 11.3648 12.5104 12.5244 12.7945 12.7958 13.0583 13.1633 k = 0.5957 0.3471-0.0950 ( 7962 PWs) bands (ev): -91.0901 -91.0901 -19.4882 -19.4882 -12.6163 -12.6160 -11.7525 -11.7489 -11.2061 -11.2022 -10.8617 -10.8617 -6.1412 -6.0359 -4.2138 -4.1987 -4.1176 -3.9896 -0.6105 -0.6080 0.3520 0.3581 1.5731 1.5760 1.6541 1.6543 2.8593 2.8769 3.4762 3.5290 3.5373 3.5557 4.0342 4.0363 4.1749 4.1856 4.7014 4.7275 5.0652 5.0655 5.7732 5.7740 11.3392 11.3587 12.5391 12.5534 12.8010 12.8016 13.0706 13.1762 k = 0.5909 0.3443-0.0798 ( 7960 PWs) bands (ev): -91.0901 -91.0901 -19.4886 -19.4886 -12.6238 -12.6236 -11.7417 -11.7386 -11.2048 -11.2006 -10.8599 -10.8599 -6.1442 -6.0392 -4.2161 -4.2034 -4.1227 -3.9929 -0.6344 -0.6328 0.3816 0.3881 1.5690 1.5713 1.6389 1.6391 2.8610 2.8789 3.4822 3.5298 3.5503 3.5656 4.0236 4.0257 4.1739 4.1834 4.6946 4.7208 5.0923 5.0925 5.7764 5.7771 11.3338 11.3526 12.5691 12.5838 12.8076 12.8077 13.0839 13.1897 k = 0.5861 0.3415-0.0645 ( 7958 PWs) bands (ev): -91.0901 -91.0901 -19.4889 -19.4889 -12.6316 -12.6316 -11.7303 -11.7276 -11.2036 -11.1991 -10.8581 -10.8580 -6.1470 -6.0429 -4.2182 -4.2080 -4.1277 -3.9969 -0.6590 -0.6582 0.4125 0.4194 1.5641 1.5658 1.6238 1.6240 2.8629 2.8810 3.4873 3.5292 3.5638 3.5756 4.0129 4.0149 4.1715 4.1796 4.6907 4.7166 5.1192 5.1193 5.7803 5.7809 11.3285 11.3464 12.6000 12.6149 12.8137 12.8145 13.0984 13.2043 k = 0.5813 0.3387-0.0493 ( 7954 PWs) bands (ev): -91.0901 -91.0901 -19.4893 -19.4893 -12.6397 -12.6396 -11.7184 -11.7162 -11.2024 -11.1976 -10.8562 -10.8562 -6.1496 -6.0471 -4.2201 -4.2125 -4.1327 -4.0016 -0.6840 -0.6838 0.4443 0.4514 1.5584 1.5595 1.6090 1.6092 2.8649 2.8831 3.4915 3.5279 3.5768 3.5857 4.0024 4.0043 4.1676 4.1743 4.6894 4.7148 5.1454 5.1455 5.7850 5.7855 11.3233 11.3402 12.6311 12.6464 12.8202 12.8216 13.1145 13.2201 k = 0.5765 0.3359-0.0340 ( 7952 PWs) bands (ev): -91.0901 -91.0901 -19.4897 -19.4897 -12.6479 -12.6476 -11.7062 -11.7045 -11.2012 -11.1962 -10.8544 -10.8544 -6.1519 -6.0516 -4.2218 -4.2169 -4.1376 -4.0069 -0.7093 -0.7089 0.4767 0.4840 1.5519 1.5524 1.5945 1.5948 2.8669 2.8851 3.4948 3.5262 3.5891 3.5955 3.9924 3.9942 4.1624 4.1676 4.6906 4.7154 5.1706 5.1706 5.7905 5.7909 11.3182 11.3341 12.6620 12.6773 12.8271 12.8290 13.1323 13.2374 k = 0.5718 0.3331-0.0188 ( 7948 PWs) bands (ev): -91.0901 -91.0901 -19.4900 -19.4900 -12.6561 -12.6557 -11.6939 -11.6927 -11.2000 -11.1948 -10.8526 -10.8526 -6.1540 -6.0564 -4.2234 -4.2212 -4.1422 -4.0128 -0.7343 -0.7334 0.5095 0.5168 1.5446 1.5446 1.5806 1.5809 2.8688 2.8869 3.4975 3.5241 3.6004 3.6048 3.9830 3.9847 4.1562 4.1599 4.6940 4.7179 5.1946 5.1946 5.7967 5.7970 11.3132 11.3281 12.6918 12.7072 12.8347 12.8369 13.1523 13.2564 k = 0.5670 0.3303-0.0035 ( 7946 PWs) bands (ev): -91.0901 -91.0901 -19.4904 -19.4904 -12.6642 -12.6637 -11.6816 -11.6809 -11.1988 -11.1935 -10.8508 -10.8508 -6.1557 -6.0615 -4.2253 -4.2249 -4.1465 -4.0192 -0.7585 -0.7572 0.5422 0.5495 1.5360 1.5366 1.5673 1.5677 2.8706 2.8884 3.4994 3.5217 3.6106 3.6134 3.9744 3.9759 4.1490 4.1514 4.6992 4.7221 5.2171 5.2172 5.8036 5.8038 11.3084 11.3223 12.7197 12.7351 12.8433 12.8457 13.1747 13.2775 k = 0.5622 0.3275 0.0117 ( 7950 PWs) bands (ev): -91.0901 -91.0901 -19.4908 -19.4908 -12.6720 -12.6715 -11.6695 -11.6692 -11.1977 -11.1923 -10.8491 -10.8491 -6.1571 -6.0668 -4.2292 -4.2264 -4.1504 -4.0262 -0.7818 -0.7802 0.5748 0.5820 1.5267 1.5278 1.5548 1.5553 2.8723 2.8897 3.5006 3.5191 3.6196 3.6211 3.9669 3.9681 4.1414 4.1425 4.7059 4.7275 5.2379 5.2381 5.8111 5.8113 11.3037 11.3166 12.7450 12.7601 12.8534 12.8558 13.1997 13.3009 k = 0.5574 0.3248 0.0270 ( 7953 PWs) bands (ev): -91.0901 -91.0901 -19.4912 -19.4912 -12.6795 -12.6789 -11.6578 -11.6578 -11.1966 -11.1911 -10.8475 -10.8475 -6.1581 -6.0723 -4.2328 -4.2278 -4.1537 -4.0335 -0.8039 -0.8021 0.6070 0.6139 1.5168 1.5184 1.5430 1.5437 2.8739 2.8906 3.5012 3.5163 3.6272 3.6278 3.9603 3.9612 4.1335 4.1335 4.7136 4.7340 5.2571 5.2573 5.8192 5.8193 11.2992 11.3111 12.7667 12.7813 12.8653 12.8678 13.2275 13.3266 k = 0.5526 0.3220 0.0423 ( 7945 PWs) bands (ev): -91.0901 -91.0901 -19.4915 -19.4915 -12.6867 -12.6861 -11.6469 -11.6466 -11.1955 -11.1901 -10.8459 -10.8459 -6.1587 -6.0780 -4.2361 -4.2293 -4.1563 -4.0412 -0.8247 -0.8227 0.6384 0.6451 1.5065 1.5085 1.5321 1.5328 2.8753 2.8913 3.5013 3.5133 3.6335 3.6335 3.9548 3.9554 4.1248 4.1256 4.7220 4.7410 5.2744 5.2746 5.8277 5.8277 11.2950 11.3057 12.7843 12.7983 12.8794 12.8817 13.2583 13.3547 k = 0.5478 0.3192 0.0575 ( 7947 PWs) bands (ev): -91.0901 -91.0901 -19.4919 -19.4919 -12.6934 -12.6928 -11.6365 -11.6359 -11.1944 -11.1892 -10.8444 -10.8444 -6.1590 -6.0838 -4.2392 -4.2309 -4.1581 -4.0492 -0.8440 -0.8420 0.6689 0.6752 1.4960 1.4982 1.5220 1.5228 2.8765 2.8916 3.5009 3.5103 3.6382 3.6386 3.9504 3.9505 4.1166 4.1180 4.7307 4.7483 5.2899 5.2902 5.8364 5.8364 11.2909 11.3006 12.7981 12.8110 12.8950 12.8972 13.2918 13.3851 k = 0.5431 0.3164 0.0728 ( 7940 PWs) bands (ev): -91.0901 -91.0901 -19.4922 -19.4922 -12.6996 -12.6990 -11.6267 -11.6260 -11.1934 -11.1884 -10.8431 -10.8431 -6.1588 -6.0897 -4.2419 -4.2327 -4.1591 -4.0573 -0.8617 -0.8597 0.6981 0.7040 1.4854 1.4877 1.5127 1.5135 2.8777 2.8917 3.5000 3.5072 3.6419 3.6424 3.9466 3.9469 4.1090 4.1108 4.7395 4.7555 5.3037 5.3039 5.8451 5.8451 11.2871 11.2958 12.8086 12.8205 12.9114 12.9133 13.3278 13.4175 k = 0.5383 0.3136 0.0880 ( 7954 PWs) bands (ev): -91.0901 -91.0901 -19.4925 -19.4925 -12.7053 -12.7047 -11.6177 -11.6168 -11.1925 -11.1877 -10.8418 -10.8418 -6.1582 -6.0956 -4.2442 -4.2345 -4.1591 -4.0657 -0.8778 -0.8759 0.7257 0.7312 1.4749 1.4773 1.5042 1.5050 2.8787 2.8915 3.4988 3.5042 3.6446 3.6452 3.9436 3.9442 4.1023 4.1043 4.7481 4.7625 5.3156 5.3159 5.8536 5.8536 11.2836 11.2912 12.8166 12.8275 12.9275 12.9290 13.3660 13.4514 k = 0.5335 0.3108 0.1033 ( 7952 PWs) bands (ev): -91.0901 -91.0901 -19.4927 -19.4927 -12.7104 -12.7099 -11.6095 -11.6085 -11.1915 -11.1872 -10.8406 -10.8406 -6.1571 -6.1014 -4.2462 -4.2365 -4.1582 -4.0741 -0.8921 -0.8903 0.7515 0.7564 1.4648 1.4671 1.4966 1.4973 2.8796 2.8912 3.4974 3.5013 3.6465 3.6471 3.9413 3.9423 4.0964 4.0985 4.7563 4.7691 5.3259 5.3262 5.8617 5.8618 11.2804 11.2870 12.8230 12.8327 12.9425 12.9437 13.4057 13.4861 k = 0.5287 0.3080 0.1185 ( 7952 PWs) bands (ev): -91.0901 -91.0901 -19.4930 -19.4930 -12.7149 -12.7144 -11.6022 -11.6012 -11.1907 -11.1867 -10.8396 -10.8396 -6.1556 -6.1072 -4.2478 -4.2386 -4.1563 -4.0824 -0.9046 -0.9030 0.7750 0.7794 1.4552 1.4573 1.4899 1.4905 2.8805 2.8906 3.4958 3.4985 3.6478 3.6483 3.9397 3.9409 4.0915 4.0934 4.7639 4.7750 5.3346 5.3349 5.8693 5.8693 11.2775 11.2832 12.8280 12.8365 12.9561 12.9568 13.4461 13.5204 k = 0.5239 0.3053 0.1338 ( 7948 PWs) bands (ev): -91.0901 -91.0901 -19.4932 -19.4932 -12.7187 -12.7183 -11.5958 -11.5950 -11.1899 -11.1864 -10.8388 -10.8388 -6.1537 -6.1128 -4.2490 -4.2407 -4.1536 -4.0907 -0.9152 -0.9138 0.7960 0.7997 1.4464 1.4482 1.4842 1.4847 2.8814 2.8900 3.4942 3.4961 3.6486 3.6490 3.9386 3.9399 4.0874 4.0892 4.7708 4.7800 5.3418 5.3420 5.8760 5.8761 11.2751 11.2798 12.8321 12.8394 12.9677 12.9681 13.4861 13.5531 k = 0.5191 0.3025 0.1490 ( 7943 PWs) bands (ev): -91.0901 -91.0901 -19.4934 -19.4934 -12.7219 -12.7215 -11.5906 -11.5898 -11.1891 -11.1863 -10.8380 -10.8380 -6.1513 -6.1183 -4.2498 -4.2427 -4.1500 -4.0989 -0.9240 -0.9228 0.8139 0.8169 1.4386 1.4402 1.4795 1.4799 2.8823 2.8892 3.4927 3.4939 3.6490 3.6493 3.9380 3.9392 4.0842 4.0857 4.7767 4.7842 5.3476 5.3478 5.8818 5.8819 11.2731 11.2768 12.8355 12.8414 12.9773 12.9775 13.5243 13.5821 k = 0.5144 0.2997 0.1643 ( 7934 PWs) bands (ev): -91.0901 -91.0901 -19.4935 -19.4935 -12.7244 -12.7241 -11.5864 -11.5858 -11.1884 -11.1863 -10.8375 -10.8375 -6.1485 -6.1235 -4.2502 -4.2446 -4.1456 -4.1068 -0.9307 -0.9298 0.8285 0.8308 1.4322 1.4334 1.4758 1.4761 2.8831 2.8884 3.4914 3.4921 3.6492 3.6494 3.9376 3.9387 4.0819 4.0830 4.7816 4.7872 5.3520 5.3521 5.8865 5.8865 11.2716 11.2744 12.8381 12.8427 12.9848 12.9849 13.5591 13.6056 k = 0.5096 0.2969 0.1795 ( 7934 PWs) bands (ev): -91.0901 -91.0901 -19.4936 -19.4936 -12.7261 -12.7259 -11.5833 -11.5829 -11.1878 -11.1863 -10.8371 -10.8371 -6.1453 -6.1285 -4.2501 -4.2463 -4.1405 -4.1144 -0.9355 -0.9349 0.8393 0.8408 1.4274 1.4283 1.4732 1.4734 2.8840 2.8875 3.4904 3.4908 3.6492 3.6493 3.9376 3.9384 4.0803 4.0811 4.7855 4.7892 5.3551 5.3552 5.8899 5.8899 11.2706 11.2725 12.8402 12.8433 12.9901 12.9902 13.5886 13.6213 k = 0.5048 0.2941 0.1948 ( 7935 PWs) bands (ev): -91.0901 -91.0901 -19.4937 -19.4937 -12.7272 -12.7271 -11.5814 -11.5812 -11.1873 -11.1866 -10.8368 -10.8368 -6.1416 -6.1332 -4.2497 -4.2478 -4.1348 -4.1217 -0.9384 -0.9380 0.8461 0.8469 1.4246 1.4250 1.4717 1.4718 2.8848 2.8866 3.4898 3.4900 3.6492 3.6493 3.9376 3.9380 4.0795 4.0798 4.7882 4.7901 5.3570 5.3570 5.8920 5.8920 11.2702 11.2711 12.8418 12.8433 12.9933 12.9934 13.6107 13.6276 k = 0.5000 0.2913 0.2100 ( 7928 PWs) bands (ev): -91.0901 -91.0901 -19.4937 -19.4937 -12.7275 -12.7275 -11.5807 -11.5807 -11.1869 -11.1869 -10.8367 -10.8367 -6.1376 -6.1376 -4.2489 -4.2489 -4.1285 -4.1285 -0.9392 -0.9392 0.8486 0.8486 1.4237 1.4237 1.4712 1.4712 2.8857 2.8857 3.4897 3.4897 3.6492 3.6492 3.9378 3.9378 4.0793 4.0793 4.7897 4.7897 5.3576 5.3576 5.8927 5.8927 11.2704 11.2704 12.8428 12.8428 12.9944 12.9944 13.6241 13.6241 k = 0.5000 0.2913 0.2100 ( 7928 PWs) bands (ev): -91.0901 -91.0901 -19.4937 -19.4937 -12.7275 -12.7275 -11.5807 -11.5807 -11.1869 -11.1869 -10.8367 -10.8367 -6.1376 -6.1376 -4.2489 -4.2489 -4.1285 -4.1285 -0.9392 -0.9392 0.8486 0.8486 1.4237 1.4237 1.4712 1.4712 2.8857 2.8857 3.4897 3.4897 3.6492 3.6492 3.9378 3.9378 4.0793 4.0793 4.7897 4.7897 5.3576 5.3576 5.8927 5.8927 11.2704 11.2704 12.8428 12.8428 12.9944 12.9944 13.6241 13.6241 k = 0.5080 0.2776 0.2100 ( 7932 PWs) bands (ev): -91.0901 -91.0901 -19.4937 -19.4937 -12.7272 -12.7271 -11.5812 -11.5809 -11.1869 -11.1867 -10.8373 -10.8370 -6.1415 -6.1334 -4.2527 -4.2447 -4.1324 -4.1241 -0.9389 -0.9375 0.8465 0.8487 1.4176 1.4266 1.4703 1.4770 2.8843 2.8862 3.4870 3.4910 3.6487 3.6519 3.9357 3.9401 4.0766 4.0842 4.7893 4.7897 5.3562 5.3565 5.8907 5.8911 11.2692 11.2718 12.8351 12.8508 12.9893 13.0008 13.6085 13.6311 k = 0.5159 0.2639 0.2100 ( 7938 PWs) bands (ev): -91.0901 -91.0901 -19.4936 -19.4936 -12.7264 -12.7261 -11.5825 -11.5818 -11.1867 -11.1863 -10.8389 -10.8383 -6.1450 -6.1288 -4.2562 -4.2402 -4.1358 -4.1194 -0.9366 -0.9339 0.8423 0.8466 1.4102 1.4254 1.4753 1.4858 2.8819 2.8857 3.4833 3.4910 3.6501 3.6566 3.9338 3.9423 4.0762 4.0911 4.7884 4.7892 5.3523 5.3528 5.8850 5.8857 11.2683 11.2734 12.8279 12.8587 12.9857 13.0083 13.5877 13.6256 k = 0.5239 0.2503 0.2100 ( 7948 PWs) bands (ev): -91.0901 -91.0901 -19.4935 -19.4935 -12.7249 -12.7244 -11.5844 -11.5834 -11.1863 -11.1857 -10.8413 -10.8404 -6.1481 -6.1240 -4.2593 -4.2354 -4.1386 -4.1142 -0.9323 -0.9283 0.8361 0.8424 1.4031 1.4215 1.4845 1.4961 2.8788 2.8843 3.4789 3.4899 3.6531 3.6630 3.9322 3.9444 4.0785 4.0999 4.7870 4.7883 5.3459 5.3467 5.8757 5.8769 11.2676 11.2753 12.8214 12.8662 12.9837 13.0165 13.5632 13.6078 k = 0.5319 0.2366 0.2100 ( 7944 PWs) bands (ev): -91.0901 -91.0901 -19.4934 -19.4934 -12.7228 -12.7222 -11.5870 -11.5857 -11.1857 -11.1849 -10.8446 -10.8434 -6.1508 -6.1189 -4.2620 -4.2304 -4.1409 -4.1087 -0.9261 -0.9208 0.8280 0.8360 1.3967 1.4169 1.4959 1.5075 2.8749 2.8819 3.4742 3.4880 3.6571 3.6704 3.9309 3.9461 4.0836 4.1106 4.7852 4.7870 5.3370 5.3380 5.8631 5.8646 11.2673 11.2774 12.8158 12.8732 12.9836 13.0253 13.5356 13.5820 k = 0.5399 0.2229 0.2100 ( 7958 PWs) bands (ev): -91.0901 -91.0901 -19.4932 -19.4932 -12.7201 -12.7194 -11.5903 -11.5887 -11.1849 -11.1839 -10.8488 -10.8473 -6.1531 -6.1135 -4.2644 -4.2252 -4.1426 -4.1029 -0.9179 -0.9114 0.8180 0.8274 1.3914 1.4125 1.5086 1.5196 2.8704 2.8788 3.4696 3.4857 3.6618 3.6784 3.9298 3.9472 4.0918 4.1232 4.7830 4.7852 5.3256 5.3269 5.8473 5.8492 11.2673 11.2797 12.8113 12.8794 12.9855 13.0345 13.5054 13.5512 k = 0.5478 0.2092 0.2100 ( 7948 PWs) bands (ev): -91.0901 -91.0901 -19.4930 -19.4930 -12.7169 -12.7159 -11.5942 -11.5924 -11.1840 -11.1827 -10.8538 -10.8520 -6.1550 -6.1079 -4.2663 -4.2199 -4.1436 -4.0968 -0.9078 -0.9001 0.8062 0.8167 1.3876 1.4090 1.5219 1.5320 2.8655 2.8751 3.4653 3.4832 3.6665 3.6864 3.9290 3.9478 4.1032 4.1377 4.7803 4.7831 5.3116 5.3131 5.8286 5.8308 11.2678 11.2823 12.8079 12.8847 12.9891 13.0439 13.4729 13.5173 k = 0.5558 0.1955 0.2100 ( 7952 PWs) bands (ev): -91.0901 -91.0901 -19.4928 -19.4928 -12.7130 -12.7120 -11.5988 -11.5967 -11.1828 -11.1813 -10.8595 -10.8574 -6.1565 -6.1022 -4.2679 -4.2146 -4.1440 -4.0904 -0.8958 -0.8871 0.7926 0.8039 1.3851 1.4065 1.5355 1.5447 2.8604 2.8708 3.4616 3.4807 3.6711 3.6941 3.9282 3.9478 4.1177 4.1541 4.7772 4.7805 5.2951 5.2969 5.8074 5.8099 11.2686 11.2852 12.8056 12.8891 12.9942 13.0531 13.4383 13.4812 k = 0.5638 0.1818 0.2100 ( 7954 PWs) bands (ev): -91.0901 -91.0901 -19.4925 -19.4925 -12.7086 -12.7075 -11.6040 -11.6017 -11.1814 -11.1798 -10.8660 -10.8636 -6.1576 -6.0963 -4.2691 -4.2092 -4.1436 -4.0838 -0.8820 -0.8722 0.7773 0.7890 1.3842 1.4052 1.5492 1.5575 2.8552 2.8662 3.4583 3.4784 3.6753 3.7012 3.9276 3.9475 4.1349 4.1722 4.7738 4.7776 5.2761 5.2781 5.7839 5.7868 11.2700 11.2885 12.8045 12.8928 13.0006 13.0618 13.4019 13.4439 k = 0.5718 0.1681 0.2100 ( 7952 PWs) bands (ev): -91.0901 -91.0901 -19.4922 -19.4922 -12.7038 -12.7025 -11.6098 -11.6074 -11.1798 -11.1780 -10.8731 -10.8704 -6.1583 -6.0903 -4.2700 -4.2041 -4.1426 -4.0771 -0.8664 -0.8557 0.7604 0.7722 1.3848 1.4051 1.5629 1.5704 2.8500 2.8616 3.4556 3.4762 3.6788 3.7074 3.9270 3.9469 4.1546 4.1918 4.7700 4.7744 5.2547 5.2569 5.7586 5.7619 11.2720 11.2922 12.8043 12.8957 13.0077 13.0696 13.3640 13.4062 k = 0.5797 0.1544 0.2100 ( 7944 PWs) bands (ev): -91.0901 -91.0901 -19.4919 -19.4919 -12.6984 -12.6970 -11.6162 -11.6136 -11.1780 -11.1760 -10.8808 -10.8778 -6.1587 -6.0843 -4.2705 -4.1991 -4.1408 -4.0703 -0.8491 -0.8376 0.7420 0.7536 1.3868 1.4061 1.5764 1.5831 2.8452 2.8569 3.4533 3.4741 3.6817 3.7128 3.9264 3.9464 4.1763 4.2127 4.7659 4.7709 5.2310 5.2335 5.7319 5.7355 11.2747 11.2963 12.8048 12.8978 13.0151 13.0758 13.3253 13.3693 k = 0.5877 0.1407 0.2100 ( 7944 PWs) bands (ev): -91.0901 -91.0901 -19.4916 -19.4916 -12.6926 -12.6910 -11.6230 -11.6204 -11.1759 -11.1737 -10.8891 -10.8858 -6.1587 -6.0784 -4.2708 -4.1944 -4.1382 -4.0633 -0.8301 -0.8180 0.7221 0.7332 1.3902 1.4084 1.5896 1.5955 2.8410 2.8526 3.4511 3.4722 3.6840 3.7174 3.9260 3.9460 4.1993 4.2346 4.7615 4.7672 5.2053 5.2080 5.7040 5.7079 11.2781 11.3010 12.8057 12.8988 13.0224 13.0796 13.2864 13.3345 k = 0.5957 0.1271 0.2100 ( 7950 PWs) bands (ev): -91.0901 -91.0901 -19.4912 -19.4912 -12.6863 -12.6847 -11.6304 -11.6277 -11.1737 -11.1713 -10.8978 -10.8942 -6.1584 -6.0724 -4.2707 -4.1900 -4.1350 -4.0563 -0.8097 -0.7969 0.7009 0.7114 1.3949 1.4119 1.6024 1.6077 2.8373 2.8488 3.4488 3.4703 3.6857 3.7212 3.9258 3.9458 4.2233 4.2571 4.7569 4.7633 5.1779 5.1807 5.6753 5.6796 11.2823 11.3063 12.8063 12.8984 13.0291 13.0794 13.2487 13.3034 k = 0.6037 0.1134 0.2100 ( 7956 PWs) bands (ev): -91.0901 -91.0901 -19.4909 -19.4909 -12.6797 -12.6780 -11.6382 -11.6355 -11.1712 -11.1686 -10.9070 -10.9030 -6.1578 -6.0665 -4.2704 -4.1859 -4.1311 -4.0493 -0.7877 -0.7745 0.6785 0.6882 1.4008 1.4164 1.6147 1.6195 2.8346 2.8457 3.4460 3.4684 3.6868 3.7243 3.9259 3.9460 4.2475 4.2796 4.7522 4.7593 5.1491 5.1522 5.6461 5.6507 11.2873 11.3122 12.8057 12.8962 13.0349 13.0730 13.2144 13.2776 k = 0.6116 0.0997 0.2100 ( 7960 PWs) bands (ev): -91.0901 -91.0901 -19.4905 -19.4905 -12.6728 -12.6710 -11.6465 -11.6437 -11.1685 -11.1657 -10.9164 -10.9121 -6.1569 -6.0608 -4.2698 -4.1821 -4.1268 -4.0423 -0.7645 -0.7508 0.6549 0.6638 1.4078 1.4220 1.6264 1.6309 2.8329 2.8434 3.4425 3.4664 3.6874 3.7267 3.9265 3.9466 4.2713 4.3016 4.7476 4.7554 5.1196 5.1229 5.6166 5.6216 11.2933 11.3189 12.8025 12.8917 13.0394 13.0584 13.1866 13.2586 k = 0.6196 0.0860 0.2100 ( 7956 PWs) bands (ev): -91.0901 -91.0901 -19.4901 -19.4901 -12.6656 -12.6638 -11.6552 -11.6522 -11.1656 -11.1626 -10.9261 -10.9214 -6.1557 -6.0552 -4.2690 -4.1786 -4.1220 -4.0354 -0.7400 -0.7260 0.6304 0.6383 1.4157 1.4285 1.6374 1.6417 2.8323 2.8422 3.4380 3.4641 3.6876 3.7287 3.9277 3.9477 4.2939 4.3224 4.7431 4.7516 5.0900 5.0936 5.5870 5.5924 11.3003 11.3263 12.7951 12.8847 13.0355 13.0425 13.1670 13.2466 k = 0.6276 0.0723 0.2100 ( 7956 PWs) bands (ev): -91.0901 -91.0901 -19.4897 -19.4897 -12.6582 -12.6563 -11.6641 -11.6611 -11.1624 -11.1592 -10.9359 -10.9309 -6.1544 -6.0499 -4.2680 -4.1752 -4.1170 -4.0286 -0.7144 -0.7002 0.6051 0.6120 1.4243 1.4358 1.6476 1.6519 2.8331 2.8422 3.4323 3.4615 3.6875 3.7302 3.9296 3.9493 4.3145 4.3412 4.7390 4.7482 5.0612 5.0650 5.5574 5.5632 11.3082 11.3346 12.7815 12.8746 13.0082 13.0445 13.1551 13.2406 k = 0.6356 0.0586 0.2100 ( 7954 PWs) bands (ev): -91.0901 -91.0901 -19.4893 -19.4893 -12.6506 -12.6487 -11.6734 -11.6702 -11.1590 -11.1556 -10.9459 -10.9405 -6.1529 -6.0447 -4.2668 -4.1721 -4.1118 -4.0219 -0.6880 -0.6736 0.5790 0.5850 1.4336 1.4439 1.6570 1.6615 2.8352 2.8435 3.4253 3.4584 3.6873 3.7313 3.9322 3.9513 4.3320 4.3570 4.7357 4.7453 5.0340 5.0382 5.5280 5.5342 11.3172 11.3437 12.7611 12.8594 12.9824 13.0456 13.1489 13.2389 k = 0.6435 0.0449 0.2100 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4890 -19.4890 -12.6430 -12.6411 -11.6829 -11.6795 -11.1553 -11.1517 -10.9558 -10.9500 -6.1512 -6.0398 -4.2656 -4.1691 -4.1065 -4.0155 -0.6608 -0.6464 0.5524 0.5576 1.4434 1.4525 1.6655 1.6702 2.8388 2.8463 3.4169 3.4545 3.6869 3.7321 3.9356 3.9537 4.3457 4.3688 4.7334 4.7433 5.0095 5.0141 5.4988 5.5054 11.3272 11.3537 12.7343 12.8365 12.9635 13.0465 13.1465 13.2398 k = 0.6515 0.0312 0.2100 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4886 -19.4886 -12.6353 -12.6334 -11.6925 -11.6889 -11.1514 -11.1476 -10.9657 -10.9596 -6.1494 -6.0352 -4.2642 -4.1662 -4.1013 -4.0092 -0.6330 -0.6186 0.5253 0.5298 1.4536 1.4616 1.6730 1.6782 2.8440 2.8506 3.4071 3.4497 3.6865 3.7327 3.9397 3.9564 4.3545 4.3758 4.7324 4.7423 4.9887 4.9937 5.4699 5.4769 11.3383 11.3645 12.7026 12.8055 12.9528 13.0473 13.1464 13.2422 k = 0.6595 0.0176 0.2100 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4882 -19.4882 -12.6277 -12.6258 -11.7022 -11.6983 -11.1471 -11.1432 -10.9755 -10.9690 -6.1475 -6.0309 -4.2627 -4.1634 -4.0962 -4.0031 -0.6049 -0.5905 0.4980 0.5018 1.4640 1.4710 1.6795 1.6852 2.8506 2.8565 3.3959 3.4440 3.6861 3.7332 3.9443 3.9594 4.3578 4.3773 4.7328 4.7424 4.9727 4.9780 5.4414 5.4487 11.3502 11.3761 12.6678 12.7691 12.9482 13.0478 13.1475 13.2452 k = 0.6675 0.0039 0.2100 ( 7968 PWs) bands (ev): -91.0901 -91.0901 -19.4879 -19.4879 -12.6203 -12.6184 -11.7120 -11.7076 -11.1426 -11.1385 -10.9851 -10.9782 -6.1456 -6.0270 -4.2612 -4.1608 -4.0913 -3.9974 -0.5766 -0.5624 0.4706 0.4740 1.4744 1.4807 1.6850 1.6912 2.8588 2.8641 3.3834 3.4372 3.6860 3.7335 3.9494 3.9624 4.3554 4.3731 4.7344 4.7434 4.9625 4.9677 5.4132 5.4210 11.3630 11.3883 12.6312 12.7303 12.9468 13.0480 13.1490 13.2484 k = 0.6754-0.0098 0.2100 ( 7974 PWs) bands (ev): -91.0901 -91.0901 -19.4876 -19.4876 -12.6130 -12.6112 -11.7216 -11.7168 -11.1378 -11.1335 -10.9944 -10.9872 -6.1437 -6.0233 -4.2597 -4.1583 -4.0867 -3.9919 -0.5485 -0.5344 0.4434 0.4465 1.4847 1.4903 1.6894 1.6961 2.8684 2.8733 3.3698 3.4294 3.6862 3.7339 3.9546 3.9653 4.3476 4.3636 4.7367 4.7447 4.9585 4.9635 5.3854 5.3936 11.3765 11.4012 12.5941 12.6910 12.9467 13.0474 13.1505 13.2513 k = 0.6834-0.0235 0.2100 ( 7976 PWs) bands (ev): -91.0901 -91.0901 -19.4873 -19.4873 -12.6061 -12.6043 -11.7310 -11.7258 -11.1328 -11.1283 -11.0034 -10.9960 -6.1418 -6.0200 -4.2582 -4.1559 -4.0824 -3.9868 -0.5209 -0.5069 0.4166 0.4196 1.4948 1.4999 1.6926 1.6999 2.8793 2.8841 3.3551 3.4205 3.6867 3.7343 3.9597 3.9677 4.3353 4.3497 4.7390 4.7460 4.9610 4.9654 5.3582 5.3669 11.3905 11.4144 12.5574 12.6524 12.9469 13.0460 13.1517 13.2538 k = 0.6914-0.0372 0.2100 ( 7976 PWs) bands (ev): -91.0901 -91.0901 -19.4870 -19.4870 -12.5995 -12.5978 -11.7402 -11.7345 -11.1274 -11.1227 -11.0122 -11.0044 -6.1399 -6.0171 -4.2568 -4.1536 -4.0785 -3.9819 -0.4940 -0.4802 0.3907 0.3934 1.5045 1.5092 1.6947 1.7025 2.8914 2.8964 3.3398 3.4109 3.6877 3.7348 3.9643 3.9695 4.3197 4.3326 4.7407 4.7468 4.9698 4.9733 5.3316 5.3407 11.4048 11.4279 12.5219 12.6155 12.9468 13.0436 13.1522 13.2556 k = 0.6994-0.0509 0.2100 ( 7978 PWs) bands (ev): -91.0901 -91.0901 -19.4868 -19.4868 -12.5934 -12.5918 -11.7489 -11.7429 -11.1217 -11.1168 -11.0205 -11.0125 -6.1382 -6.0145 -4.2555 -4.1515 -4.0750 -3.9774 -0.4683 -0.4547 0.3659 0.3684 1.5138 1.5182 1.6957 1.7039 2.9046 2.9099 3.3240 3.4006 3.6892 3.7354 3.9676 3.9704 4.3023 4.3137 4.7414 4.7469 4.9840 4.9865 5.3059 5.3154 11.4192 11.4413 12.4882 12.5808 12.9459 13.0400 13.1520 13.2565 k = 0.7073-0.0646 0.2100 ( 7982 PWs) bands (ev): -91.0901 -91.0901 -19.4865 -19.4865 -12.5879 -12.5864 -11.7572 -11.7507 -11.1157 -11.1107 -11.0284 -11.0202 -6.1366 -6.0123 -4.2543 -4.1496 -4.0720 -3.9733 -0.4442 -0.4307 0.3426 0.3450 1.5224 1.5267 1.6954 1.7040 2.9185 2.9243 3.3081 3.3900 3.6913 3.7363 3.9678 3.9716 4.2844 4.2942 4.7410 4.7464 5.0028 5.0042 5.2811 5.2910 11.4332 11.4545 12.4571 12.5489 12.9440 13.0351 13.1509 13.2563 k = 0.7153-0.0783 0.2100 ( 7978 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5830 -12.5816 -11.7649 -11.7580 -11.1094 -11.1042 -11.0358 -11.0274 -6.1351 -6.0104 -4.2531 -4.1478 -4.0696 -3.9694 -0.4223 -0.4089 0.3215 0.3235 1.5303 1.5345 1.6939 1.7028 2.9329 2.9392 3.2928 3.3795 3.6939 3.7373 3.9648 3.9721 4.2674 4.2755 4.7395 4.7454 5.0248 5.0257 5.2575 5.2677 11.4465 11.4670 12.4289 12.5203 12.9409 13.0291 13.1487 13.2550 k = 0.7233-0.0919 0.2100 ( 7980 PWs) bands (ev): -91.0901 -91.0901 -19.4862 -19.4862 -12.5788 -12.5775 -11.7719 -11.7646 -11.1028 -11.0974 -11.0428 -11.0343 -6.1338 -6.0089 -4.2522 -4.1462 -4.0677 -3.9659 -0.4031 -0.3898 0.3030 0.3046 1.5374 1.5417 1.6911 1.7004 2.9471 2.9540 3.2786 3.3697 3.6970 3.7386 3.9592 3.9706 4.2525 4.2587 4.7371 4.7438 5.0489 5.0505 5.2355 5.2459 11.4588 11.4785 12.4042 12.4953 12.9367 13.0218 13.1455 13.2524 k = 0.7313-0.1056 0.2100 ( 7974 PWs) bands (ev): -91.0901 -91.0901 -19.4861 -19.4861 -12.5754 -12.5742 -11.7782 -11.7706 -11.0959 -11.0902 -11.0493 -11.0407 -6.1327 -6.0077 -4.2514 -4.1448 -4.0664 -3.9628 -0.3872 -0.3740 0.2876 0.2887 1.5436 1.5480 1.6872 1.6966 2.9605 2.9682 3.2664 3.3612 3.7006 3.7401 3.9509 3.9663 4.2404 4.2446 4.7339 4.7415 5.0745 5.0773 5.2156 5.2259 11.4694 11.4887 12.3835 12.4744 12.9314 13.0135 13.1413 13.2485 k = 0.7392-0.1193 0.2100 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4860 -19.4860 -12.5728 -12.5718 -11.7837 -11.7757 -11.0888 -11.0829 -11.0553 -11.0466 -6.1318 -6.0068 -4.2507 -4.1435 -4.0658 -3.9599 -0.3751 -0.3620 0.2759 0.2767 1.5489 1.5534 1.6820 1.6916 2.9722 2.9811 3.2572 3.3548 3.7047 3.7417 3.9399 3.9593 4.2316 4.2339 4.7299 4.7385 5.1007 5.1052 5.1987 5.2083 11.4780 11.4972 12.3671 12.4579 12.9249 13.0042 13.1362 13.2434 k = 0.7472-0.1330 0.2100 ( 7972 PWs) bands (ev): -91.0901 -91.0901 -19.4860 -19.4860 -12.5712 -12.5703 -11.7882 -11.7801 -11.0815 -11.0753 -11.0606 -11.0519 -6.1311 -6.0063 -4.2503 -4.1424 -4.0658 -3.9575 -0.3674 -0.3543 0.2682 0.2690 1.5531 1.5578 1.6757 1.6853 2.9812 2.9919 3.2520 3.3510 3.7090 3.7434 3.9266 3.9495 4.2253 4.2275 4.7250 4.7346 5.1247 5.1322 5.1874 5.1948 11.4842 11.5036 12.3554 12.4459 12.9174 12.9941 13.1303 13.2372 k = 0.2528-0.4339 0.6066 ( 7972 PWs) bands (ev): -91.0901 -91.0901 -19.4860 -19.4860 -12.5712 -12.5703 -11.7882 -11.7801 -11.0815 -11.0753 -11.0606 -11.0519 -6.1311 -6.0063 -4.2503 -4.1424 -4.0658 -3.9575 -0.3674 -0.3543 0.2682 0.2690 1.5531 1.5578 1.6757 1.6853 2.9812 2.9919 3.2520 3.3510 3.7090 3.7434 3.9266 3.9495 4.2253 4.2275 4.7250 4.7346 5.1247 5.1322 5.1874 5.1948 11.4842 11.5036 12.3554 12.4459 12.9174 12.9941 13.1303 13.2372 k = 0.2446-0.4199 0.6066 ( 7976 PWs) bands (ev): -91.0901 -91.0901 -19.4860 -19.4860 -12.5704 -12.5696 -11.7919 -11.7836 -11.0743 -11.0683 -11.0642 -11.0564 -6.1307 -6.0061 -4.2500 -4.1415 -4.0665 -3.9553 -0.3644 -0.3515 0.2648 0.2662 1.5563 1.5613 1.6681 1.6775 2.9867 3.0001 3.2518 3.3507 3.7135 3.7452 3.9111 3.9371 4.2212 4.2252 4.7191 4.7296 5.1380 5.1511 5.1901 5.1932 11.4877 11.5075 12.3484 12.4386 12.9088 12.9831 13.1238 13.2300 k = 0.2365-0.4059 0.6066 ( 7980 PWs) bands (ev): -91.0901 -91.0901 -19.4860 -19.4860 -12.5706 -12.5700 -11.7947 -11.7861 -11.0722 -11.0671 -11.0595 -11.0569 -6.1305 -6.0062 -4.2499 -4.1407 -4.0679 -3.9535 -0.3666 -0.3538 0.2663 0.2684 1.5585 1.5637 1.6593 1.6685 2.9879 3.0051 3.2571 3.3545 3.7179 3.7468 3.8943 3.9230 4.2200 4.2259 4.7124 4.7236 5.1361 5.1508 5.2117 5.2143 11.4880 11.5085 12.3466 12.4364 12.8993 12.9715 13.1171 13.2223 k = 0.2283-0.3919 0.6066 ( 7982 PWs) bands (ev): -91.0901 -91.0901 -19.4861 -19.4861 -12.5718 -12.5713 -11.7963 -11.7878 -11.0757 -11.0683 -11.0538 -11.0489 -6.1305 -6.0067 -4.2500 -4.1401 -4.0699 -3.9521 -0.3736 -0.3612 0.2726 0.2754 1.5596 1.5649 1.6496 1.6584 2.9852 3.0067 3.2678 3.3623 3.7219 3.7479 3.8770 3.9079 4.2210 4.2287 4.7048 4.7167 5.1297 5.1439 5.2416 5.2446 11.4852 11.5063 12.3499 12.4391 12.8892 12.9595 13.1107 13.2146 k = 0.2202-0.3779 0.6066 ( 7974 PWs) bands (ev): -91.0901 -91.0901 -19.4863 -19.4863 -12.5740 -12.5736 -11.7970 -11.7884 -11.0792 -11.0715 -11.0456 -11.0399 -6.1308 -6.0074 -4.2503 -4.1396 -4.0726 -3.9512 -0.3853 -0.3732 0.2835 0.2869 1.5596 1.5650 1.6389 1.6471 2.9791 3.0051 3.2830 3.3739 3.7249 3.7483 3.8601 3.8929 4.2239 4.2330 4.6968 4.7090 5.1239 5.1375 5.2743 5.2776 11.4792 11.5009 12.3582 12.4465 12.8785 12.9473 13.1049 13.2075 k = 0.2120-0.3639 0.6066 ( 7978 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5770 -12.5768 -11.7967 -11.7882 -11.0823 -11.0746 -11.0366 -11.0306 -6.1313 -6.0085 -4.2508 -4.1392 -4.0760 -3.9507 -0.4010 -0.3893 0.2984 0.3024 1.5585 1.5639 1.6273 1.6348 2.9706 3.0008 3.3015 3.3887 3.7264 3.7472 3.8445 3.8788 4.2279 4.2381 4.6886 4.7011 5.1199 5.1328 5.3082 5.3118 11.4702 11.4922 12.3710 12.4583 12.8673 12.9350 13.1002 13.2013 k = 0.2039-0.3499 0.6066 ( 7976 PWs) bands (ev): -91.0901 -91.0901 -19.4866 -19.4866 -12.5809 -12.5808 -11.7955 -11.7871 -11.0850 -11.0775 -11.0274 -11.0210 -6.1319 -6.0099 -4.2514 -4.1390 -4.0798 -3.9507 -0.4201 -0.4089 0.3167 0.3212 1.5564 1.5617 1.6152 1.6217 2.9607 2.9944 3.3223 3.4060 3.7258 3.7438 3.8315 3.8667 4.2325 4.2431 4.6809 4.6933 5.1178 5.1301 5.3431 5.3468 11.4582 11.4804 12.3879 12.4741 12.8558 12.9229 13.0972 13.1967 k = 0.1957-0.3359 0.6066 ( 7976 PWs) bands (ev): -91.0901 -91.0901 -19.4868 -19.4868 -12.5857 -12.5856 -11.7934 -11.7851 -11.0873 -11.0799 -11.0178 -11.0113 -6.1328 -6.0116 -4.2521 -4.1388 -4.0842 -3.9512 -0.4420 -0.4313 0.3379 0.3428 1.5532 1.5582 1.6026 1.6080 2.9501 2.9866 3.3443 3.4249 3.7224 3.7373 3.8219 3.8574 4.2370 4.2475 4.6742 4.6865 5.1177 5.1293 5.3787 5.3825 11.4436 11.4657 12.4083 12.4934 12.8442 12.9109 13.0962 13.1942 k = 0.1875-0.3219 0.6066 ( 7972 PWs) bands (ev): -91.0901 -91.0901 -19.4871 -19.4871 -12.5912 -12.5911 -11.7905 -11.7824 -11.0892 -11.0820 -11.0082 -11.0015 -6.1338 -6.0137 -4.2530 -4.1388 -4.0891 -3.9523 -0.4661 -0.4560 0.3613 0.3666 1.5490 1.5533 1.5900 1.5938 2.9394 2.9779 3.3670 3.4447 3.7159 3.7276 3.8160 3.8514 4.2406 4.2506 4.6692 4.6812 5.1191 5.1301 5.4148 5.4186 11.4267 11.4485 12.4316 12.5155 12.8324 12.8993 13.0977 13.1940 k = 0.1794-0.3079 0.6066 ( 7980 PWs) bands (ev): -91.0901 -91.0901 -19.4874 -19.4874 -12.5974 -12.5972 -11.7869 -11.7790 -11.0907 -11.0838 -10.9983 -10.9915 -6.1349 -6.0160 -4.2539 -4.1388 -4.0944 -3.9539 -0.4917 -0.4822 0.3865 0.3922 1.5435 1.5469 1.5776 1.5794 2.9289 2.9686 3.3895 3.4645 3.7064 3.7154 3.8132 3.8486 4.2430 4.2517 4.6666 4.6782 5.1219 5.1323 5.4516 5.4553 11.4078 11.4290 12.4570 12.5401 12.8206 12.8882 13.1020 13.1967 k = 0.1712-0.2939 0.6066 ( 7978 PWs) bands (ev): -91.0901 -91.0901 -19.4877 -19.4877 -12.6041 -12.6038 -11.7826 -11.7751 -11.0918 -11.0851 -10.9884 -10.9814 -6.1360 -6.0186 -4.2549 -4.1388 -4.1000 -3.9562 -0.5185 -0.5096 0.4130 0.4190 1.5367 1.5387 1.5654 1.5660 2.9189 2.9592 3.4114 3.4839 3.6947 3.7018 3.8126 3.8484 4.2434 4.2505 4.6670 4.6781 5.1258 5.1356 5.4887 5.4923 11.3872 11.4076 12.4841 12.5666 12.8090 12.8776 13.1094 13.2025 k = 0.1631-0.2799 0.6066 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4880 -19.4880 -12.6112 -12.6109 -11.7778 -11.7706 -11.0925 -11.0862 -10.9785 -10.9714 -6.1372 -6.0216 -4.2558 -4.1389 -4.1058 -3.9590 -0.5461 -0.5377 0.4406 0.4468 1.5280 1.5284 1.5524 1.5555 2.9095 2.9499 3.4323 3.5021 3.6820 3.6877 3.8133 3.8500 4.2416 4.2468 4.6707 4.6813 5.1304 5.1397 5.5263 5.5297 11.3652 11.3846 12.5120 12.5943 12.7976 12.8679 13.1200 13.2116 k = 0.1549-0.2659 0.6066 ( 7972 PWs) bands (ev): -91.0901 -91.0901 -19.4884 -19.4884 -12.6187 -12.6183 -11.7726 -11.7657 -11.0930 -11.0869 -10.9686 -10.9614 -6.1384 -6.0248 -4.2568 -4.1390 -4.1119 -3.9624 -0.5739 -0.5661 0.4688 0.4752 1.5163 1.5173 1.5410 1.5460 2.9009 2.9408 3.4519 3.5186 3.6692 3.6737 3.8148 3.8525 4.2375 4.2406 4.6777 4.6879 5.1356 5.1445 5.5642 5.5674 11.3420 11.3604 12.5400 12.6228 12.7865 12.8592 13.1341 13.2244 k = 0.1468-0.2519 0.6066 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4888 -19.4888 -12.6264 -12.6259 -11.7670 -11.7606 -11.0931 -11.0874 -10.9587 -10.9515 -6.1395 -6.0283 -4.2576 -4.1390 -4.1182 -3.9664 -0.6018 -0.5946 0.4973 0.5040 1.5031 1.5048 1.5310 1.5371 2.8929 2.9320 3.4697 3.5325 3.6572 3.6607 3.8166 3.8554 4.2309 4.2325 4.6879 4.6977 5.1411 5.1496 5.6023 5.6052 11.3180 11.3353 12.5675 12.6516 12.7760 12.8520 13.1515 13.2407 k = 0.1386-0.2379 0.6066 ( 7968 PWs) bands (ev): -91.0901 -91.0901 -19.4892 -19.4892 -12.6342 -12.6337 -11.7612 -11.7551 -11.0930 -11.0876 -10.9490 -10.9418 -6.1406 -6.0321 -4.2584 -4.1390 -4.1246 -3.9710 -0.6295 -0.6228 0.5261 0.5330 1.4891 1.4916 1.5219 1.5282 2.8857 2.9236 3.4853 3.5431 3.6458 3.6505 3.8184 3.8581 4.2213 4.2239 4.7010 4.7103 5.1468 5.1549 5.6404 5.6430 11.2935 11.3095 12.5936 12.6797 12.7666 12.8466 13.1721 13.2606 k = 0.1305-0.2239 0.6066 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4895 -19.4895 -12.6421 -12.6415 -11.7553 -11.7496 -11.0927 -11.0876 -10.9394 -10.9322 -6.1415 -6.0362 -4.2590 -4.1390 -4.1310 -3.9762 -0.6567 -0.6504 0.5548 0.5619 1.4748 1.4784 1.5130 1.5194 2.8791 2.9157 3.4984 3.5493 3.6355 3.6445 3.8200 3.8602 4.2101 4.2147 4.7164 4.7253 5.1525 5.1603 5.6785 5.6808 11.2687 11.2835 12.6173 12.7054 12.7599 12.8437 13.1957 13.2841 k = 0.1223-0.2099 0.6066 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4899 -19.4899 -12.6499 -12.6493 -11.7493 -11.7440 -11.0921 -11.0873 -10.9301 -10.9230 -6.1422 -6.0405 -4.2595 -4.1397 -4.1365 -3.9819 -0.6831 -0.6774 0.5833 0.5905 1.4607 1.4654 1.5042 1.5103 2.8732 2.9081 3.5083 3.5507 3.6273 3.6427 3.8209 3.8613 4.1984 4.2049 4.7336 4.7421 5.1581 5.1655 5.7162 5.7182 11.2439 11.2575 12.6378 12.7219 12.7622 12.8441 13.2218 13.3106 k = 0.1142-0.1959 0.6066 ( 7966 PWs) bands (ev): -91.0901 -91.0901 -19.4903 -19.4903 -12.6576 -12.6570 -11.7433 -11.7384 -11.0914 -11.0869 -10.9210 -10.9140 -6.1428 -6.0450 -4.2597 -4.1449 -4.1374 -3.9881 -0.7087 -0.7034 0.6114 0.6186 1.4469 1.4529 1.4952 1.5010 2.8679 2.9009 3.5146 3.5482 3.6222 3.6444 3.8211 3.8611 4.1868 4.1950 4.7520 4.7601 5.1634 5.1706 5.7535 5.7552 11.2193 11.2317 12.6541 12.7227 12.7799 12.8482 13.2496 13.3397 k = 0.1060-0.1819 0.6066 ( 7966 PWs) bands (ev): -91.0901 -91.0901 -19.4907 -19.4907 -12.6651 -12.6644 -11.7374 -11.7329 -11.0905 -11.0863 -10.9123 -10.9055 -6.1431 -6.0498 -4.2596 -4.1514 -4.1369 -3.9948 -0.7331 -0.7283 0.6389 0.6462 1.4338 1.4411 1.4862 1.4916 2.8632 2.8941 3.5171 3.5430 3.6205 3.6481 3.8203 3.8594 4.1760 4.1856 4.7711 4.7788 5.1684 5.1753 5.7900 5.7914 11.1952 11.2064 12.6658 12.7169 12.8039 12.8566 13.2783 13.3701 k = 0.0979-0.1679 0.6066 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4911 -19.4911 -12.6722 -12.6716 -11.7317 -11.7276 -11.0895 -11.0856 -10.9039 -10.8973 -6.1431 -6.0547 -4.2593 -4.1579 -4.1360 -4.0018 -0.7563 -0.7519 0.6656 0.6729 1.4215 1.4300 1.4770 1.4819 2.8589 2.8877 3.5164 3.5366 3.6218 3.6527 3.8184 3.8561 4.1663 4.1770 4.7903 4.7976 5.1731 5.1798 5.8254 5.8266 11.1719 11.1820 12.6731 12.7096 12.8285 12.8688 13.3063 13.3999 k = 0.0897-0.1540 0.6066 ( 7960 PWs) bands (ev): -91.0901 -91.0901 -19.4914 -19.4914 -12.6791 -12.6785 -11.7263 -11.7225 -11.0884 -11.0849 -10.8959 -10.8897 -6.1428 -6.0598 -4.2586 -4.1644 -4.1347 -4.0092 -0.7782 -0.7742 0.6913 0.6986 1.4100 1.4198 1.4677 1.4722 2.8551 2.8816 3.5136 3.5299 3.6253 3.6573 3.8152 3.8512 4.1581 4.1696 4.8094 4.8162 5.1775 5.1838 5.8596 5.8605 11.1495 11.1585 12.6768 12.7023 12.8523 12.8839 13.3320 13.4256 k = 0.0815-0.1400 0.6066 ( 7954 PWs) bands (ev): -91.0901 -91.0901 -19.4918 -19.4918 -12.6855 -12.6849 -11.7211 -11.7177 -11.0872 -11.0840 -10.8885 -10.8825 -6.1422 -6.0650 -4.2577 -4.1709 -4.1332 -4.0169 -0.7985 -0.7949 0.7159 0.7232 1.3996 1.4106 1.4583 1.4624 2.8517 2.8758 3.5097 3.5235 3.6299 3.6613 3.8110 3.8448 4.1516 4.1634 4.8278 4.8343 5.1814 5.1874 5.8921 5.8928 11.1283 11.1363 12.6777 12.6953 12.8748 12.9008 13.3535 13.4428 k = 0.0734-0.1260 0.6066 ( 7956 PWs) bands (ev): -91.0901 -91.0901 -19.4921 -19.4921 -12.6915 -12.6909 -11.7162 -11.7132 -11.0860 -11.0832 -10.8815 -10.8760 -6.1412 -6.0703 -4.2563 -4.1772 -4.1312 -4.0247 -0.8172 -0.8140 0.7392 0.7463 1.3903 1.4024 1.4489 1.4528 2.8487 2.8704 3.5055 3.5177 3.6349 3.6646 3.8060 3.8371 4.1467 4.1585 4.8454 4.8514 5.1849 5.1905 5.9227 5.9232 11.1085 11.1155 12.6768 12.6888 12.8959 12.9184 13.3697 13.4503 k = 0.0652-0.1120 0.6066 ( 7966 PWs) bands (ev): -91.0901 -91.0901 -19.4924 -19.4924 -12.6970 -12.6965 -11.7118 -11.7091 -11.0849 -11.0823 -10.8751 -10.8701 -6.1399 -6.0757 -4.2546 -4.1835 -4.1288 -4.0327 -0.8342 -0.8313 0.7609 0.7678 1.3823 1.3953 1.4394 1.4434 2.8460 2.8654 3.5017 3.5126 3.6398 3.6671 3.8003 3.8286 4.1433 4.1547 4.8618 4.8674 5.1880 5.1932 5.9511 5.9514 11.0902 11.0964 12.6749 12.6829 12.9154 12.9356 13.3804 13.4502 k = 0.0571-0.0980 0.6066 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4927 -19.4927 -12.7019 -12.7014 -11.7077 -11.7054 -11.0838 -11.0815 -10.8694 -10.8648 -6.1382 -6.0811 -4.2525 -4.1896 -4.1260 -4.0408 -0.8493 -0.8468 0.7809 0.7875 1.3755 1.3892 1.4300 1.4344 2.8438 2.8607 3.4984 3.5084 3.6444 3.6686 3.7944 3.8195 4.1413 4.1519 4.8769 4.8819 5.1907 5.1954 5.9770 5.9772 11.0738 11.0791 12.6723 12.6777 12.9333 12.9518 13.3866 13.4457 k = 0.0489-0.0840 0.6066 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4929 -19.4929 -12.7062 -12.7058 -11.7041 -11.7022 -11.0827 -11.0808 -10.8642 -10.8602 -6.1361 -6.0864 -4.2500 -4.1956 -4.1228 -4.0488 -0.8626 -0.8604 0.7989 0.8050 1.3702 1.3843 1.4207 1.4258 2.8419 2.8564 3.4959 3.5048 3.6485 3.6693 3.7888 3.8105 4.1404 4.1499 4.8904 4.8948 5.1930 5.1972 6.0001 6.0002 11.0592 11.0637 12.6696 12.6731 12.9496 12.9664 13.3897 13.4391 k = 0.0408-0.0700 0.6066 ( 7962 PWs) bands (ev): -91.0901 -91.0901 -19.4931 -19.4931 -12.7099 -12.7096 -11.7011 -11.6994 -11.0817 -11.0801 -10.8597 -10.8563 -6.1336 -6.0917 -4.2472 -4.2015 -4.1190 -4.0568 -0.8739 -0.8721 0.8148 0.8203 1.3663 1.3805 1.4120 1.4178 2.8404 2.8525 3.4941 3.5020 3.6520 3.6692 3.7837 3.8018 4.1403 4.1485 4.9021 4.9060 5.1950 5.1986 6.0201 6.0201 11.0467 11.0504 12.6670 12.6693 12.9640 12.9789 13.3910 13.4315 k = 0.0326-0.0560 0.6066 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4933 -19.4933 -12.7130 -12.7127 -11.6985 -11.6972 -11.0809 -11.0796 -10.8560 -10.8532 -6.1308 -6.0969 -4.2440 -4.2072 -4.1148 -4.0646 -0.8832 -0.8817 0.8283 0.8330 1.3639 1.3776 1.4040 1.4105 2.8394 2.8490 3.4931 3.4998 3.6549 3.6685 3.7794 3.7939 4.1407 4.1475 4.9120 4.9152 5.1966 5.1996 6.0368 6.0368 11.0364 11.0393 12.6647 12.6661 12.9765 12.9891 13.3916 13.4238 k = 0.0245-0.0420 0.6066 ( 7960 PWs) bands (ev): -91.0901 -91.0901 -19.4934 -19.4934 -12.7154 -12.7152 -11.6964 -11.6954 -11.0802 -11.0792 -10.8529 -10.8508 -6.1276 -6.1020 -4.2404 -4.2127 -4.1101 -4.0722 -0.8904 -0.8893 0.8392 0.8429 1.3630 1.3754 1.3972 1.4039 2.8388 2.8460 3.4927 3.4980 3.6573 3.6674 3.7763 3.7871 4.1414 4.1467 4.9199 4.9223 5.1979 5.2002 6.0500 6.0500 11.0283 11.0305 12.6627 12.6636 12.9868 12.9968 13.3922 13.4164 k = 0.0163-0.0280 0.6066 ( 7966 PWs) bands (ev): -91.0901 -91.0901 -19.4935 -19.4935 -12.7171 -12.7169 -11.6949 -11.6942 -11.0796 -11.0790 -10.8506 -10.8492 -6.1241 -6.1069 -4.2365 -4.2179 -4.1048 -4.0795 -0.8955 -0.8948 0.8474 0.8499 1.3634 1.3733 1.3925 1.3984 2.8387 2.8435 3.4929 3.4965 3.6593 3.6659 3.7745 3.7817 4.1424 4.1459 4.9258 4.9274 5.1990 5.2006 6.0595 6.0595 11.0226 11.0240 12.6613 12.6618 12.9949 13.0018 13.3935 13.4096 k = 0.0082-0.0140 0.6066 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4936 -19.4936 -12.7181 -12.7180 -11.6939 -11.6936 -11.0792 -11.0789 -10.8491 -10.8484 -6.1202 -6.1116 -4.2323 -4.2230 -4.0992 -4.0864 -0.8985 -0.8982 0.8526 0.8539 1.3651 1.3707 1.3905 1.3940 2.8392 2.8415 3.4934 3.4952 3.6611 3.6643 3.7741 3.7776 4.1433 4.1451 4.9295 4.9303 5.1998 5.2006 6.0653 6.0653 11.0193 11.0200 12.6605 12.6607 13.0006 13.0041 13.3958 13.4039 k = 0.0000 0.0000 0.6066 ( 7960 PWs) bands (ev): -91.0901 -91.0901 -19.4936 -19.4936 -12.7184 -12.7184 -11.6934 -11.6934 -11.0789 -11.0789 -10.8484 -10.8484 -6.1160 -6.1160 -4.2278 -4.2278 -4.0930 -4.0930 -0.8994 -0.8994 0.8548 0.8548 1.3678 1.3678 1.3912 1.3912 2.8401 2.8401 3.4942 3.4942 3.6627 3.6627 3.7751 3.7751 4.1443 4.1443 4.9310 4.9310 5.2003 5.2003 6.0672 6.0672 11.0184 11.0184 12.6603 12.6603 13.0037 13.0037 13.3993 13.3993 k = 0.0000 0.0000 0.6066 ( 7960 PWs) bands (ev): -91.0901 -91.0901 -19.4936 -19.4936 -12.7184 -12.7184 -11.6934 -11.6934 -11.0789 -11.0789 -10.8484 -10.8484 -6.1160 -6.1160 -4.2278 -4.2278 -4.0930 -4.0930 -0.8994 -0.8994 0.8548 0.8548 1.3678 1.3678 1.3912 1.3912 2.8401 2.8401 3.4942 3.4942 3.6627 3.6627 3.7751 3.7751 4.1443 4.1443 4.9310 4.9310 5.2003 5.2003 6.0672 6.0672 11.0184 11.0184 12.6603 12.6603 13.0037 13.0037 13.3993 13.3993 k = 0.0139 0.0081 0.6066 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4936 -19.4936 -12.7181 -12.7180 -11.6938 -11.6938 -11.0796 -11.0789 -10.8484 -10.8484 -6.1193 -6.1125 -4.2295 -4.2259 -4.0958 -4.0898 -0.8998 -0.8973 0.8526 0.8528 1.3689 1.3693 1.3919 1.3920 2.8378 2.8406 3.4941 3.4942 3.6630 3.6660 3.7747 3.7753 4.1444 4.1447 4.9307 4.9307 5.1983 5.1994 6.0663 6.0665 11.0178 11.0200 12.6564 12.6650 13.0031 13.0032 13.3956 13.3973 k = 0.0278 0.0162 0.6066 ( 7968 PWs) bands (ev): -91.0901 -91.0901 -19.4935 -19.4935 -12.7171 -12.7169 -11.6947 -11.6947 -11.0809 -11.0795 -10.8486 -10.8486 -6.1223 -6.1087 -4.2311 -4.2238 -4.0983 -4.0863 -0.8985 -0.8935 0.8461 0.8466 1.3725 1.3733 1.3941 1.3944 2.8337 2.8393 3.4940 3.4940 3.6665 3.6725 3.7743 3.7755 4.1452 4.1457 4.9297 4.9298 5.1935 5.1956 6.0638 6.0642 11.0181 11.0225 12.6534 12.6705 13.0015 13.0018 13.3864 13.3898 k = 0.0417 0.0243 0.6066 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4934 -19.4934 -12.7155 -12.7151 -11.6964 -11.6963 -11.0827 -11.0806 -10.8488 -10.8488 -6.1250 -6.1048 -4.2324 -4.2216 -4.1003 -4.0824 -0.8954 -0.8879 0.8358 0.8365 1.3783 1.3795 1.3979 1.3984 2.8282 2.8364 3.4936 3.4936 3.6729 3.6819 3.7743 3.7758 4.1466 4.1473 4.9282 4.9283 5.1858 5.1890 6.0598 6.0604 11.0194 11.0260 12.6513 12.6768 12.9990 12.9994 13.3718 13.3769 k = 0.0556 0.0324 0.6066 ( 7963 PWs) bands (ev): -91.0901 -91.0901 -19.4933 -19.4933 -12.7131 -12.7126 -11.6986 -11.6986 -11.0852 -11.0824 -10.8492 -10.8492 -6.1274 -6.1006 -4.2334 -4.2193 -4.1020 -4.0781 -0.8907 -0.8808 0.8218 0.8228 1.3859 1.3874 1.4035 1.4041 2.8214 2.8319 3.4932 3.4932 3.6809 3.6932 3.7757 3.7770 4.1485 4.1495 4.9261 4.9263 5.1754 5.1797 6.0542 6.0550 11.0217 11.0304 12.6503 12.6838 12.9954 12.9959 13.3524 13.3590 k = 0.0696 0.0405 0.6066 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4932 -19.4932 -12.7102 -12.7095 -11.7015 -11.7014 -11.0881 -11.0848 -10.8497 -10.8497 -6.1296 -6.0964 -4.2342 -4.2170 -4.1034 -4.0735 -0.8841 -0.8720 0.8047 0.8058 1.3947 1.3964 1.4110 1.4117 2.8138 2.8262 3.4925 3.4926 3.6888 3.7044 3.7798 3.7807 4.1510 4.1521 4.9234 4.9237 5.1624 5.1676 6.0472 6.0482 11.0251 11.0358 12.6505 12.6916 12.9909 12.9915 13.3284 13.3366 k = 0.0835 0.0486 0.6066 ( 7967 PWs) bands (ev): -91.0901 -91.0901 -19.4930 -19.4930 -12.7065 -12.7057 -11.7050 -11.7048 -11.0916 -11.0878 -10.8502 -10.8502 -6.1313 -6.0920 -4.2346 -4.2146 -4.1044 -4.0687 -0.8759 -0.8616 0.7847 0.7861 1.4043 1.4060 1.4205 1.4210 2.8056 2.8196 3.4917 3.4918 3.6947 3.7131 3.7883 3.7888 4.1539 4.1553 4.9201 4.9205 5.1468 5.1531 6.0389 6.0400 11.0295 11.0421 12.6518 12.7002 12.9854 12.9861 13.3004 13.3099 k = 0.0974 0.0567 0.6066 ( 7963 PWs) bands (ev): -91.0901 -91.0901 -19.4927 -19.4927 -12.7023 -12.7014 -11.7091 -11.7087 -11.0956 -11.0913 -10.8509 -10.8509 -6.1328 -6.0876 -4.2347 -4.2121 -4.1051 -4.0636 -0.8660 -0.8498 0.7625 0.7639 1.4144 1.4160 1.4317 1.4320 2.7972 2.8125 3.4906 3.4909 3.6970 3.7172 3.8024 3.8032 4.1573 4.1588 4.9164 4.9168 5.1289 5.1361 6.0293 6.0305 11.0349 11.0493 12.6545 12.7096 12.9790 12.9797 13.2689 13.2797 k = 0.1113 0.0648 0.6066 ( 7967 PWs) bands (ev): -91.0901 -91.0901 -19.4925 -19.4925 -12.6975 -12.6964 -11.7137 -11.7131 -11.1000 -11.0953 -10.8516 -10.8516 -6.1340 -6.0831 -4.2345 -4.2097 -4.1056 -4.0583 -0.8545 -0.8364 0.7382 0.7398 1.4253 1.4266 1.4441 1.4442 2.7889 2.8051 3.4894 3.4898 3.6955 3.7167 3.8218 3.8234 4.1610 4.1626 4.9121 4.9127 5.1088 5.1170 6.0185 6.0199 11.0415 11.0576 12.6586 12.7199 12.9716 12.9723 13.2343 13.2462 k = 0.1252 0.0729 0.6066 ( 7960 PWs) bands (ev): -91.0901 -91.0901 -19.4922 -19.4922 -12.6921 -12.6909 -11.7188 -11.7180 -11.1048 -11.0997 -10.8524 -10.8524 -6.1348 -6.0786 -4.2340 -4.2073 -4.1058 -4.0529 -0.8414 -0.8217 0.7122 0.7139 1.4369 1.4380 1.4571 1.4571 2.7811 2.7977 3.4879 3.4885 3.6910 3.7129 3.8455 3.8477 4.1649 4.1666 4.9075 4.9082 5.0868 5.0959 6.0066 6.0082 11.0492 11.0668 12.6642 12.7311 12.9632 12.9639 13.1973 13.2101 k = 0.1391 0.0811 0.6066 ( 7949 PWs) bands (ev): -91.0901 -91.0901 -19.4919 -19.4919 -12.6862 -12.6849 -11.7243 -11.7233 -11.1100 -11.1046 -10.8533 -10.8533 -6.1354 -6.0741 -4.2332 -4.2048 -4.1058 -4.0474 -0.8268 -0.8057 0.6849 0.6866 1.4493 1.4503 1.4702 1.4703 2.7740 2.7908 3.4862 3.4870 3.6843 3.7069 3.8721 3.8748 4.1690 4.1707 4.9025 4.9034 5.0631 5.0731 5.9939 5.9956 11.0580 11.0770 12.6712 12.7430 12.9539 12.9542 13.1584 13.1720 k = 0.1530 0.0892 0.6066 ( 7954 PWs) bands (ev): -91.0901 -91.0901 -19.4916 -19.4916 -12.6799 -12.6785 -11.7303 -11.7290 -11.1155 -11.1099 -10.8543 -10.8542 -6.1356 -6.0697 -4.2320 -4.2024 -4.1055 -4.0419 -0.8108 -0.7885 0.6565 0.6582 1.4627 1.4635 1.4833 1.4834 2.7679 2.7845 3.4843 3.4854 3.6760 3.6993 3.9009 3.9035 4.1730 4.1747 4.8973 4.8983 5.0380 5.0488 5.9804 5.9822 11.0680 11.0882 12.6797 12.7555 12.9432 12.9434 13.1183 13.1324 k = 0.1669 0.0973 0.6066 ( 7950 PWs) bands (ev): -91.0901 -91.0901 -19.4912 -19.4912 -12.6732 -12.6717 -11.7365 -11.7349 -11.1212 -11.1156 -10.8553 -10.8552 -6.1356 -6.0654 -4.2305 -4.2000 -4.1051 -4.0364 -0.7934 -0.7702 0.6271 0.6288 1.4769 1.4776 1.4962 1.4962 2.7629 2.7790 3.4822 3.4835 3.6665 3.6905 3.9309 3.9332 4.1768 4.1785 4.8919 4.8932 5.0119 5.0234 5.9662 5.9682 11.0791 11.1005 12.6896 12.7683 12.9304 12.9319 13.0780 13.0924 k = 0.1809 0.1054 0.6066 ( 7957 PWs) bands (ev): -91.0901 -91.0901 -19.4909 -19.4909 -12.6662 -12.6645 -11.7431 -11.7411 -11.1271 -11.1215 -10.8563 -10.8563 -6.1354 -6.0612 -4.2288 -4.1977 -4.1045 -4.0310 -0.7748 -0.7509 0.5971 0.5987 1.4920 1.4925 1.5085 1.5087 2.7593 2.7745 3.4797 3.4815 3.6561 3.6808 3.9616 3.9633 4.1803 4.1819 4.8864 4.8881 4.9850 4.9972 5.9516 5.9536 11.0914 11.1137 12.7008 12.7806 12.9151 12.9190 13.0386 13.0532 k = 0.1948 0.1135 0.6066 ( 7958 PWs) bands (ev): -91.0901 -91.0901 -19.4905 -19.4905 -12.6590 -12.6571 -11.7497 -11.7474 -11.1333 -11.1277 -10.8574 -10.8574 -6.1349 -6.0572 -4.2269 -4.1954 -4.1038 -4.0257 -0.7551 -0.7308 0.5666 0.5681 1.5077 1.5079 1.5204 1.5207 2.7571 2.7712 3.4771 3.4793 3.6451 3.6703 3.9924 3.9931 4.1833 4.1847 4.8809 4.8832 4.9580 4.9706 5.9366 5.9388 11.1049 11.1280 12.7130 12.7906 12.8964 12.9053 13.0021 13.0165 k = 0.2087 0.1216 0.6066 ( 7952 PWs) bands (ev): -91.0901 -91.0901 -19.4901 -19.4901 -12.6515 -12.6496 -11.7565 -11.7537 -11.1396 -11.1341 -10.8585 -10.8585 -6.1343 -6.0533 -4.2247 -4.1931 -4.1029 -4.0205 -0.7345 -0.7099 0.5358 0.5371 1.5232 1.5236 1.5324 1.5324 2.7566 2.7693 3.4742 3.4770 3.6335 3.6593 4.0222 4.0227 4.1854 4.1867 4.8753 4.8787 4.9315 4.9441 5.9215 5.9237 11.1196 11.1433 12.7257 12.7943 12.8729 12.8930 12.9706 12.9843 k = 0.2226 0.1297 0.6066 ( 7956 PWs) bands (ev): -91.0901 -91.0901 -19.4898 -19.4898 -12.6440 -12.6419 -11.7631 -11.7599 -11.1459 -11.1406 -10.8597 -10.8597 -6.1334 -6.0496 -4.2223 -4.1909 -4.1020 -4.0156 -0.7131 -0.6885 0.5049 0.5060 1.5363 1.5380 1.5456 1.5463 2.7576 2.7687 3.4711 3.4746 3.6216 3.6478 4.0501 4.0521 4.1866 4.1876 4.8690 4.8746 4.9069 4.9182 5.9063 5.9085 11.1354 11.1596 12.7375 12.7850 12.8448 12.8871 12.9462 12.9583 k = 0.2365 0.1378 0.6066 ( 7959 PWs) bands (ev): -91.0901 -91.0901 -19.4894 -19.4894 -12.6365 -12.6343 -11.7696 -11.7660 -11.1524 -11.1472 -10.8609 -10.8608 -6.1324 -6.0461 -4.2199 -4.1888 -4.1010 -4.0110 -0.6912 -0.6668 0.4740 0.4750 1.5464 1.5488 1.5619 1.5628 2.7603 2.7696 3.4679 3.4721 3.6094 3.6359 4.0762 4.0800 4.1867 4.1872 4.8593 4.8712 4.8875 4.8936 5.8912 5.8935 11.1523 11.1769 12.7443 12.7607 12.8169 12.8878 12.9308 12.9381 k = 0.2504 0.1459 0.6066 ( 7950 PWs) bands (ev): -91.0901 -91.0901 -19.4890 -19.4890 -12.6291 -12.6268 -11.7758 -11.7717 -11.1588 -11.1540 -10.8620 -10.8620 -6.1313 -6.0429 -4.2173 -4.1867 -4.0999 -4.0067 -0.6689 -0.6451 0.4434 0.4442 1.5548 1.5576 1.5798 1.5806 2.7648 2.7721 3.4644 3.4696 3.5972 3.6237 4.0998 4.1058 4.1853 4.1854 4.8431 4.8657 4.8738 4.8773 5.8764 5.8786 11.1703 11.1952 12.7267 12.7340 12.8025 12.8850 12.9229 12.9297 k = 0.2643 0.1540 0.6066 ( 7956 PWs) bands (ev): -91.0901 -91.0901 -19.4887 -19.4887 -12.6219 -12.6196 -11.7816 -11.7771 -11.1652 -11.1607 -10.8632 -10.8632 -6.1301 -6.0399 -4.2147 -4.1847 -4.0988 -4.0027 -0.6465 -0.6235 0.4132 0.4139 1.5618 1.5651 1.5982 1.5989 2.7709 2.7760 3.4608 3.4671 3.5850 3.6113 4.1202 4.1289 4.1818 4.1828 4.8240 4.8479 4.8698 4.8735 5.8618 5.8641 11.1894 11.2144 12.6882 12.7033 12.8054 12.8747 12.9122 12.9418 k = 0.2782 0.1621 0.6066 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4884 -19.4884 -12.6150 -12.6127 -11.7867 -11.7818 -11.1716 -11.1675 -10.8643 -10.8643 -6.1289 -6.0372 -4.2121 -4.1828 -4.0977 -3.9991 -0.6245 -0.6024 0.3838 0.3843 1.5678 1.5715 1.6169 1.6175 2.7787 2.7815 3.4571 3.4648 3.5729 3.5988 4.1364 4.1485 4.1765 4.1794 4.8061 4.8302 4.8700 4.8728 5.8477 5.8499 11.2094 11.2344 12.6481 12.6650 12.8121 12.8618 12.9070 12.9597 k = 0.2921 0.1702 0.6066 ( 7957 PWs) bands (ev): -91.0901 -91.0901 -19.4881 -19.4881 -12.6086 -12.6063 -11.7911 -11.7859 -11.1780 -11.1741 -10.8655 -10.8655 -6.1276 -6.0348 -4.2095 -4.1809 -4.0966 -3.9959 -0.6030 -0.5821 0.3554 0.3558 1.5727 1.5769 1.6356 1.6361 2.7882 2.7886 3.4533 3.4625 3.5612 3.5863 4.1462 4.1621 4.1715 4.1764 4.7914 4.8158 4.8720 4.8743 5.8342 5.8363 11.2303 11.2552 12.6079 12.6250 12.8154 12.8483 12.9088 12.9799 k = 0.3061 0.1783 0.6066 ( 7962 PWs) bands (ev): -91.0901 -91.0901 -19.4878 -19.4878 -12.6028 -12.6004 -11.7946 -11.7890 -11.1842 -11.1808 -10.8666 -10.8665 -6.1263 -6.0326 -4.2070 -4.1792 -4.0955 -3.9931 -0.5826 -0.5631 0.3283 0.3287 1.5766 1.5812 1.6541 1.6545 2.7971 2.7991 3.4495 3.4606 3.5499 3.5739 4.1468 4.1574 4.1765 4.1784 4.7805 4.8053 4.8757 4.8777 5.8212 5.8233 11.2520 11.2767 12.5686 12.5853 12.8131 12.8347 12.9177 13.0011 k = 0.3200 0.1864 0.6066 ( 7955 PWs) bands (ev): -91.0901 -91.0901 -19.4875 -19.4875 -12.5976 -12.5953 -11.7971 -11.7912 -11.1904 -11.1873 -10.8676 -10.8676 -6.1250 -6.0307 -4.2046 -4.1775 -4.0944 -3.9907 -0.5637 -0.5458 0.3029 0.3033 1.5795 1.5845 1.6722 1.6725 2.8071 2.8117 3.4456 3.4589 3.5391 3.5615 4.1393 4.1461 4.1782 4.1853 4.7741 4.7991 4.8812 4.8830 5.8089 5.8109 11.2743 11.2987 12.5310 12.5470 12.8064 12.8211 12.9319 13.0226 k = 0.3339 0.1945 0.6066 ( 7957 PWs) bands (ev): -91.0901 -91.0901 -19.4873 -19.4873 -12.5933 -12.5911 -11.7984 -11.7923 -11.1964 -11.1936 -10.8686 -10.8686 -6.1238 -6.0291 -4.2023 -4.1760 -4.0935 -3.9888 -0.5468 -0.5306 0.2795 0.2801 1.5815 1.5867 1.6898 1.6900 2.8184 2.8256 3.4417 3.4577 3.5291 3.5493 4.1275 4.1323 4.1781 4.1880 4.7723 4.7973 4.8885 4.8901 5.7973 5.7992 11.2971 11.3212 12.4955 12.5106 12.7971 12.8075 12.9490 13.0439 k = 0.3478 0.2026 0.6066 ( 7967 PWs) bands (ev): -91.0901 -91.0901 -19.4871 -19.4871 -12.5899 -12.5878 -11.7983 -11.7920 -11.2022 -11.1999 -10.8695 -10.8695 -6.1226 -6.0277 -4.2002 -4.1745 -4.0926 -3.9873 -0.5325 -0.5182 0.2587 0.2594 1.5826 1.5880 1.7065 1.7067 2.8312 2.8408 3.4378 3.4571 3.5200 3.5374 4.1128 4.1166 4.1750 4.1866 4.7750 4.7996 4.8975 4.8990 5.7864 5.7882 11.3202 11.3440 12.4626 12.4766 12.7863 12.7941 12.9673 13.0645 k = 0.3617 0.2107 0.6066 ( 7975 PWs) bands (ev): -91.0901 -91.0901 -19.4870 -19.4870 -12.5874 -12.5855 -11.7968 -11.7904 -11.2079 -11.2059 -10.8704 -10.8704 -6.1215 -6.0267 -4.1983 -4.1732 -4.0918 -3.9863 -0.5213 -0.5091 0.2408 0.2418 1.5828 1.5883 1.7222 1.7224 2.8452 2.8573 3.4338 3.4570 3.5121 3.5257 4.0959 4.0991 4.1690 4.1816 4.7818 4.8058 4.9081 4.9095 5.7764 5.7780 11.3434 11.3668 12.4327 12.4454 12.7748 12.7809 12.9859 13.0842 k = 0.3756 0.2188 0.6066 ( 7962 PWs) bands (ev): -91.0901 -91.0901 -19.4869 -19.4869 -12.5861 -12.5843 -11.7937 -11.7874 -11.2135 -11.2117 -10.8712 -10.8712 -6.1205 -6.0259 -4.1965 -4.1720 -4.0912 -3.9858 -0.5137 -0.5037 0.2263 0.2277 1.5821 1.5877 1.7367 1.7368 2.8604 2.8750 3.4298 3.4577 3.5055 3.5145 4.0772 4.0799 4.1606 4.1737 4.7922 4.8152 4.9203 4.9217 5.7671 5.7686 11.3665 11.3896 12.4062 12.4174 12.7629 12.7677 13.0041 13.1027 k = 0.5000 0.2913-0.3966 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5809 -12.5809 -11.7300 -11.7300 -11.2868 -11.2868 -10.8875 -10.8875 -6.0523 -6.0523 -4.1271 -4.1271 -4.0438 -4.0438 -0.5494 -0.5494 0.1476 0.1476 1.5673 1.5673 1.9288 1.9288 3.1134 3.1134 3.3041 3.3041 3.3703 3.3703 3.9443 3.9443 3.9781 3.9781 4.8907 4.8907 5.1653 5.1653 5.7013 5.7013 11.7117 11.7117 12.1123 12.1123 12.6002 12.6002 13.0467 13.0467 k = 0.5078 0.2779-0.3966 ( 7966 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5812 -12.5809 -11.7298 -11.7295 -11.2872 -11.2866 -10.8875 -10.8875 -6.0567 -6.0481 -4.1313 -4.1235 -4.0507 -4.0367 -0.5505 -0.5477 0.1483 0.1485 1.5667 1.5668 1.9273 1.9282 3.1131 3.1146 3.2810 3.3161 3.3626 3.3919 3.9420 3.9460 3.9758 3.9816 4.8880 4.8909 5.1652 5.1686 5.6986 5.6989 11.7085 11.7123 12.1049 12.1170 12.5951 12.6130 13.0469 13.0483 k = 0.5157 0.2644-0.3966 ( 7966 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5820 -12.5814 -11.7290 -11.7284 -11.2875 -11.2863 -10.8877 -10.8877 -6.0612 -6.0440 -4.1360 -4.1205 -4.0572 -4.0295 -0.5509 -0.5452 0.1507 0.1511 1.5650 1.5651 1.9235 1.9252 3.1136 3.1168 3.2568 3.3060 3.3799 3.4174 3.9394 3.9464 3.9754 3.9860 4.8831 4.8888 5.1682 5.1749 5.6908 5.6913 11.7027 11.7104 12.0960 12.1189 12.5982 12.6328 13.0488 13.0515 k = 0.5235 0.2510-0.3966 ( 7976 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5833 -12.5823 -11.7274 -11.7266 -11.2879 -11.2861 -10.8880 -10.8879 -6.0658 -6.0401 -4.1411 -4.1182 -4.0633 -4.0224 -0.5507 -0.5422 0.1548 0.1554 1.5622 1.5624 1.9176 1.9201 3.1140 3.1193 3.2345 3.2898 3.4069 3.4448 3.9367 3.9447 3.9775 3.9909 4.8763 4.8844 5.1740 5.1837 5.6780 5.6787 11.6942 11.7056 12.0872 12.1187 12.6088 12.6578 13.0523 13.0565 k = 0.5313 0.2376-0.3966 ( 7972 PWs) bands (ev): -91.0901 -91.0901 -19.4863 -19.4863 -12.5849 -12.5837 -11.7252 -11.7242 -11.2883 -11.2859 -10.8884 -10.8883 -6.0705 -6.0365 -4.1466 -4.1167 -4.0687 -4.0154 -0.5499 -0.5387 0.1606 0.1614 1.5583 1.5586 1.9098 1.9129 3.1129 3.1202 3.2165 3.2757 3.4366 3.4733 3.9339 3.9412 3.9821 3.9964 4.8683 4.8784 5.1824 5.1945 5.6603 5.6612 11.6826 11.6976 12.0801 12.1177 12.6257 12.6866 13.0575 13.0634 k = 0.5391 0.2241-0.3966 ( 7972 PWs) bands (ev): -91.0901 -91.0901 -19.4863 -19.4863 -12.5870 -12.5855 -11.7224 -11.7211 -11.2887 -11.2858 -10.8888 -10.8888 -6.0751 -6.0331 -4.1525 -4.1161 -4.0733 -4.0085 -0.5488 -0.5349 0.1681 0.1691 1.5534 1.5537 1.9001 1.9038 3.1082 3.1173 3.2060 3.2662 3.4675 3.5027 3.9308 3.9362 3.9884 4.0025 4.8594 4.8710 5.1927 5.2069 5.6379 5.6390 11.6678 11.6862 12.0762 12.1176 12.6473 12.7176 13.0642 13.0722 k = 0.5470 0.2107-0.3966 ( 7980 PWs) bands (ev): -91.0901 -91.0901 -19.4863 -19.4863 -12.5896 -12.5877 -11.7188 -11.7173 -11.2891 -11.2857 -10.8895 -10.8894 -6.0797 -6.0300 -4.1585 -4.1165 -4.0771 -4.0020 -0.5473 -0.5309 0.1774 0.1787 1.5475 1.5479 1.8887 1.8929 3.0981 3.1093 3.2050 3.2630 3.4991 3.5328 3.9272 3.9302 3.9962 4.0093 4.8502 4.8630 5.2044 5.2203 5.6111 5.6125 11.6498 11.6714 12.0764 12.1197 12.6718 12.7493 13.0725 13.0829 k = 0.5548 0.1972-0.3966 ( 7980 PWs) bands (ev): -91.0901 -91.0901 -19.4863 -19.4863 -12.5925 -12.5904 -11.7144 -11.7128 -11.2895 -11.2856 -10.8903 -10.8902 -6.0843 -6.0272 -4.1648 -4.1180 -4.0799 -3.9959 -0.5457 -0.5269 0.1886 0.1900 1.5406 1.5412 1.8759 1.8804 3.0822 3.0973 3.2121 3.2663 3.5314 3.5636 3.9229 3.9235 4.0052 4.0167 4.8411 4.8547 5.2171 5.2343 5.5803 5.5818 11.6291 11.6533 12.0812 12.1251 12.6979 12.7806 13.0823 13.0958 k = 0.5626 0.1838-0.3966 ( 7980 PWs) bands (ev): -91.0901 -91.0901 -19.4863 -19.4863 -12.5959 -12.5935 -11.7094 -11.7075 -11.2899 -11.2855 -10.8912 -10.8911 -6.0888 -6.0247 -4.1711 -4.1202 -4.0820 -3.9901 -0.5443 -0.5231 0.2015 0.2032 1.5330 1.5337 1.8619 1.8665 3.0630 3.0824 3.2246 3.2753 3.5643 3.5949 3.9154 3.9186 4.0150 4.0247 4.8324 4.8464 5.2301 5.2484 5.5460 5.5476 11.6060 11.6325 12.0905 12.1341 12.7243 12.8103 13.0937 13.1108 k = 0.5705 0.1704-0.3966 ( 7976 PWs) bands (ev): -91.0901 -91.0901 -19.4863 -19.4863 -12.5997 -12.5970 -11.7035 -11.7016 -11.2903 -11.2855 -10.8924 -10.8922 -6.0932 -6.0225 -4.1774 -4.1232 -4.0834 -3.9849 -0.5431 -0.5199 0.2163 0.2183 1.5245 1.5255 1.8468 1.8515 3.0424 3.0654 3.2407 3.2888 3.5976 3.6268 3.9069 3.9132 4.0256 4.0333 4.8245 4.8387 5.2429 5.2620 5.5089 5.5105 11.5812 11.6095 12.1040 12.1470 12.7498 12.8376 13.1067 13.1280 k = 0.5783 0.1569-0.3966 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4863 -19.4863 -12.6039 -12.6010 -11.6969 -11.6949 -11.2906 -11.2854 -10.8938 -10.8935 -6.0975 -6.0207 -4.1835 -4.1266 -4.0846 -3.9802 -0.5425 -0.5172 0.2329 0.2352 1.5154 1.5166 1.8309 1.8355 3.0215 3.0474 3.2593 3.3057 3.6313 3.6590 3.8976 3.9070 4.0368 4.0424 4.8176 4.8316 5.2547 5.2740 5.4702 5.4714 11.5555 11.5852 12.1213 12.1635 12.7735 12.8618 13.1213 13.1475 k = 0.5861 0.1435-0.3966 ( 7968 PWs) bands (ev): -91.0901 -91.0901 -19.4863 -19.4863 -12.6086 -12.6054 -11.6895 -11.6874 -11.2908 -11.2853 -10.8954 -10.8950 -6.1016 -6.0192 -4.1895 -4.1303 -4.0856 -3.9760 -0.5426 -0.5156 0.2514 0.2539 1.5056 1.5071 1.8144 1.8187 3.0010 3.0289 3.2797 3.3250 3.6654 3.6915 3.8875 3.9000 4.0484 4.0519 4.8118 4.8255 5.2637 5.2822 5.4321 5.4325 11.5295 11.5602 12.1419 12.1833 12.7948 12.8825 13.1373 13.1689 k = 0.5940 0.1301-0.3966 ( 7968 PWs) bands (ev): -91.0901 -91.0901 -19.4863 -19.4863 -12.6136 -12.6102 -11.6812 -11.6791 -11.2910 -11.2853 -10.8972 -10.8966 -6.1055 -6.0182 -4.1952 -4.1340 -4.0866 -3.9725 -0.5437 -0.5150 0.2717 0.2744 1.4953 1.4972 1.7974 1.8013 2.9811 3.0105 3.3014 3.3463 3.6998 3.7240 3.8766 3.8925 4.0601 4.0618 4.8073 4.8204 5.2664 5.2819 5.3970 5.4007 11.5038 11.5351 12.1652 12.2060 12.8131 12.8994 13.1548 13.1920 k = 0.6018 0.1166-0.3966 ( 7974 PWs) bands (ev): -91.0901 -91.0901 -19.4863 -19.4863 -12.6190 -12.6155 -11.6722 -11.6700 -11.2912 -11.2851 -10.8993 -10.8985 -6.1092 -6.0175 -4.2005 -4.1378 -4.0877 -3.9696 -0.5459 -0.5159 0.2936 0.2967 1.4845 1.4870 1.7800 1.7835 2.9624 2.9925 3.3243 3.3689 3.7345 3.7561 3.8650 3.8847 4.0708 4.0728 4.8042 4.8164 5.2556 5.2650 5.3731 5.3834 11.4788 11.5105 12.1909 12.2312 12.8281 12.9126 13.1734 13.2163 k = 0.6096 0.1032-0.3966 ( 7974 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.6248 -12.6211 -11.6622 -11.6602 -11.2912 -11.2850 -10.9016 -10.9007 -6.1126 -6.0172 -4.2055 -4.1416 -4.0890 -3.9674 -0.5494 -0.5182 0.3171 0.3204 1.4734 1.4764 1.7623 1.7655 2.9449 2.9754 3.3479 3.3926 3.7693 3.7867 3.8528 3.8780 4.0807 4.0845 4.8024 4.8134 5.2267 5.2312 5.3656 5.3818 11.4550 11.4869 12.2185 12.2584 12.8396 12.9222 13.1929 13.2413 k = 0.6174 0.0897-0.3966 ( 7984 PWs) bands (ev): -91.0901 -91.0901 -19.4865 -19.4865 -12.6309 -12.6271 -11.6515 -11.6494 -11.2912 -11.2848 -10.9042 -10.9030 -6.1159 -6.0172 -4.2100 -4.1452 -4.0906 -3.9658 -0.5544 -0.5223 0.3421 0.3456 1.4620 1.4655 1.7445 1.7474 2.9289 2.9594 3.3720 3.4171 3.8027 3.8124 3.8407 3.8763 4.0902 4.0960 4.8017 4.8114 5.1854 5.1887 5.3691 5.3885 11.4326 11.4646 12.2476 12.2874 12.8475 12.9286 13.2127 13.2662 k = 0.6253 0.0763-0.3966 ( 7988 PWs) bands (ev): -91.0901 -91.0901 -19.4866 -19.4866 -12.6374 -12.6334 -11.6399 -11.6379 -11.2911 -11.2846 -10.9070 -10.9057 -6.1188 -6.0177 -4.2140 -4.1487 -4.0923 -3.9649 -0.5610 -0.5281 0.3683 0.3721 1.4503 1.4545 1.7265 1.7295 2.9147 2.9447 3.3965 3.4419 3.8187 3.8231 3.8458 3.8885 4.0991 4.1070 4.8018 4.8100 5.1391 5.1430 5.3776 5.3985 11.4120 11.4439 12.2776 12.3175 12.8521 12.9319 13.2322 13.2903 k = 0.3747-0.6432-0.0000 ( 7988 PWs) bands (ev): -91.0901 -91.0901 -19.4866 -19.4866 -12.6374 -12.6334 -11.6399 -11.6379 -11.2911 -11.2846 -10.9070 -10.9057 -6.1188 -6.0177 -4.2140 -4.1487 -4.0923 -3.9649 -0.5610 -0.5281 0.3683 0.3721 1.4503 1.4545 1.7265 1.7295 2.9147 2.9447 3.3965 3.4419 3.8187 3.8231 3.8458 3.8885 4.0991 4.1070 4.8018 4.8100 5.1391 5.1430 5.3776 5.3985 11.4120 11.4439 12.2776 12.3175 12.8521 12.9319 13.2322 13.2903 k = 0.3666-0.6292 0.0000 ( 7976 PWs) bands (ev): -91.0901 -91.0901 -19.4867 -19.4867 -12.6444 -12.6403 -11.6269 -11.6250 -11.2909 -11.2843 -10.9102 -10.9086 -6.1216 -6.0186 -4.2176 -4.1522 -4.0944 -3.9647 -0.5697 -0.5363 0.3966 0.4006 1.4380 1.4430 1.7076 1.7111 2.9020 2.9312 3.4220 3.4680 3.8086 3.8153 3.8811 3.9159 4.1077 4.1176 4.8018 4.8085 5.0905 5.0953 5.3884 5.4103 11.3927 11.4245 12.3096 12.3499 12.8536 12.9326 13.2514 13.3139 k = 0.3584-0.6152-0.0000 ( 7972 PWs) bands (ev): -91.0901 -91.0901 -19.4869 -19.4869 -12.6518 -12.6476 -11.6130 -11.6113 -11.2906 -11.2839 -10.9137 -10.9119 -6.1241 -6.0198 -4.2206 -4.1556 -4.0968 -3.9652 -0.5804 -0.5466 0.4258 0.4300 1.4255 1.4313 1.6886 1.6931 2.8917 2.9197 3.4473 3.4939 3.7932 3.8035 3.9186 3.9493 4.1153 4.1269 4.8004 4.8060 5.0446 5.0504 5.3999 5.4224 11.3758 11.4073 12.3419 12.3826 12.8521 12.9308 13.2686 13.3349 k = 0.3503-0.6012 0.0000 ( 7972 PWs) bands (ev): -91.0901 -91.0901 -19.4871 -19.4871 -12.6594 -12.6551 -11.5982 -11.5966 -11.2902 -11.2835 -10.9175 -10.9154 -6.1263 -6.0215 -4.2231 -4.1587 -4.0994 -3.9664 -0.5930 -0.5591 0.4555 0.4598 1.4129 1.4195 1.6695 1.6753 2.8842 2.9107 3.4722 3.5194 3.7771 3.7889 3.9567 3.9848 4.1215 4.1348 4.7948 4.8004 5.0049 5.0117 5.4115 5.4345 11.3613 11.3925 12.3739 12.4154 12.8480 12.9270 13.2827 13.3522 k = 0.3421-0.5872-0.0000 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4873 -19.4873 -12.6672 -12.6629 -11.5826 -11.5811 -11.2897 -11.2830 -10.9215 -10.9191 -6.1282 -6.0236 -4.2249 -4.1617 -4.1023 -3.9683 -0.6078 -0.5739 0.4855 0.4898 1.4002 1.4077 1.6505 1.6578 2.8797 2.9044 3.4962 3.5441 3.7605 3.7726 3.9951 4.0212 4.1261 4.1408 4.7823 4.7888 4.9756 4.9831 5.4229 5.4462 11.3495 11.3804 12.4053 12.4476 12.8419 12.9217 13.2925 13.3648 k = 0.3340-0.5733 0.0000 ( 7968 PWs) bands (ev): -91.0901 -91.0901 -19.4876 -19.4876 -12.6753 -12.6710 -11.5662 -11.5647 -11.2891 -11.2824 -10.9257 -10.9231 -6.1298 -6.0260 -4.2261 -4.1644 -4.1054 -3.9710 -0.6245 -0.5908 0.5153 0.5196 1.3875 1.3957 1.6316 1.6406 2.8784 2.9011 3.5187 3.5673 3.7439 3.7555 4.0335 4.0580 4.1289 4.1446 4.7617 4.7691 4.9596 4.9669 5.4340 5.4575 11.3403 11.3709 12.4353 12.4786 12.8346 12.9154 13.2973 13.3715 k = 0.3258-0.5593 0.0000 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4879 -19.4879 -12.6835 -12.6792 -11.5490 -11.5475 -11.2885 -11.2818 -10.9302 -10.9273 -6.1311 -6.0288 -4.2268 -4.1670 -4.1087 -3.9742 -0.6434 -0.6100 0.5447 0.5489 1.3746 1.3837 1.6126 1.6235 2.8808 2.9013 3.5391 3.5884 3.7278 3.7383 4.0716 4.0948 4.1296 4.1459 4.7349 4.7428 4.9559 4.9625 5.4446 5.4683 11.3339 11.3641 12.4635 12.5075 12.8267 12.9087 13.2961 13.3714 k = 0.3177-0.5453-0.0000 ( 7966 PWs) bands (ev): -91.0901 -91.0901 -19.4883 -19.4883 -12.6919 -12.6876 -11.5310 -11.5295 -11.2877 -11.2811 -10.9349 -10.9317 -6.1321 -6.0319 -4.2269 -4.1693 -4.1122 -3.9781 -0.6642 -0.6314 0.5733 0.5774 1.3617 1.3714 1.5936 1.6065 2.8871 2.9052 3.5561 3.6057 3.7124 3.7229 4.1074 4.1280 4.1323 4.1454 4.7059 4.7139 4.9612 4.9672 5.4548 5.4785 11.3302 11.3600 12.4892 12.5335 12.8194 12.9022 13.2887 13.3640 k = 0.3096-0.5313-0.0000 ( 7966 PWs) bands (ev): -91.0901 -91.0901 -19.4887 -19.4887 -12.7004 -12.6961 -11.5124 -11.5107 -11.2869 -11.2804 -10.9398 -10.9363 -6.1329 -6.0353 -4.2265 -4.1714 -4.1159 -3.9826 -0.6870 -0.6548 0.6008 0.6050 1.3486 1.3590 1.5745 1.5896 2.8976 2.9131 3.5677 3.6170 3.6979 3.7129 4.1187 4.1361 4.1536 4.1690 4.6784 4.6866 4.9723 4.9783 5.4644 5.4882 11.3293 11.3586 12.5115 12.5553 12.8140 12.8969 13.2754 13.3495 k = 0.3014-0.5173 0.0000 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4892 -19.4892 -12.7089 -12.7047 -11.4930 -11.4911 -11.2859 -11.2795 -10.9448 -10.9410 -6.1335 -6.0390 -4.2257 -4.1733 -4.1197 -3.9876 -0.7117 -0.6803 0.6269 0.6313 1.3355 1.3463 1.5553 1.5725 2.9123 2.9253 3.5713 3.6190 3.6867 3.7107 4.1126 4.1293 4.1887 4.2039 4.6551 4.6634 4.9874 4.9939 5.4736 5.4974 11.3310 11.3598 12.5299 12.5716 12.8118 12.8932 13.2565 13.3286 k = 0.2933-0.5033-0.0000 ( 7968 PWs) bands (ev): -91.0901 -91.0901 -19.4898 -19.4897 -12.7175 -12.7133 -11.4731 -11.4710 -11.2849 -11.2786 -10.9499 -10.9459 -6.1338 -6.0430 -4.2244 -4.1750 -4.1236 -3.9932 -0.7383 -0.7077 0.6514 0.6564 1.3221 1.3333 1.5357 1.5551 2.9315 2.9420 3.5657 3.6100 3.6820 3.7148 4.1035 4.1188 4.2242 4.2377 4.6380 4.6465 5.0053 5.0126 5.4823 5.5060 11.3353 11.3636 12.5436 12.5814 12.8139 12.8919 13.2327 13.3019 k = 0.2851-0.4894 0.0000 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4903 -19.4903 -12.7260 -12.7220 -11.4527 -11.4502 -11.2838 -11.2776 -10.9552 -10.9509 -6.1340 -6.0471 -4.2228 -4.1765 -4.1276 -3.9992 -0.7665 -0.7369 0.6742 0.6800 1.3086 1.3200 1.5157 1.5374 2.9553 2.9633 3.5521 3.5926 3.6829 3.7212 4.0933 4.1065 4.2581 4.2693 4.6282 4.6370 5.0255 5.0336 5.4904 5.5141 11.3420 11.3697 12.5521 12.5843 12.8208 12.8932 13.2047 13.2701 k = 0.2770-0.4754-0.0000 ( 7966 PWs) bands (ev): -91.0901 -91.0901 -19.4910 -19.4910 -12.7346 -12.7306 -11.4318 -11.4289 -11.2825 -11.2764 -10.9604 -10.9559 -6.1340 -6.0515 -4.2209 -4.1778 -4.1316 -4.0056 -0.7964 -0.7678 0.6951 0.7021 1.2950 1.3063 1.4952 1.5191 2.9836 2.9892 3.5331 3.5702 3.6850 3.7265 4.0834 4.0939 4.2894 4.2979 4.6264 4.6357 5.0475 5.0565 5.4982 5.5217 11.3509 11.3780 12.5554 12.5811 12.8316 12.8969 13.1727 13.2336 k = 0.2688-0.4614-0.0000 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4917 -19.4917 -12.7430 -12.7392 -11.4106 -11.4073 -11.2811 -11.2751 -10.9658 -10.9610 -6.1338 -6.0560 -4.2189 -4.1789 -4.1355 -4.0124 -0.8277 -0.8003 0.7141 0.7227 1.2811 1.2922 1.4742 1.5002 3.0163 3.0199 3.5106 3.5451 3.6852 3.7284 4.0752 4.0828 4.3171 4.3229 4.6328 4.6428 5.0710 5.0808 5.5056 5.5290 11.3619 11.3882 12.5535 12.5734 12.8451 12.9024 13.1369 13.1926 k = 0.2607-0.4474-0.0000 ( 7968 PWs) bands (ev): -91.0901 -91.0901 -19.4924 -19.4924 -12.7514 -12.7476 -11.3891 -11.3853 -11.2795 -11.2735 -10.9711 -10.9660 -6.1336 -6.0606 -4.2167 -4.1798 -4.1394 -4.0195 -0.8605 -0.8343 0.7313 0.7417 1.2671 1.2777 1.4525 1.4805 3.0532 3.0551 3.4859 3.5182 3.6817 3.7256 4.0701 4.0746 4.3407 4.3438 4.6475 4.6583 5.0957 5.1063 5.5126 5.5358 11.3746 11.4000 12.5467 12.5628 12.8595 12.9085 13.0977 13.1473 k = 0.2525-0.4334-0.0000 ( 7960 PWs) bands (ev): -91.0901 -91.0901 -19.4932 -19.4932 -12.7597 -12.7560 -11.3677 -11.3633 -11.2776 -11.2716 -10.9763 -10.9711 -6.1334 -6.0653 -4.2145 -4.1806 -4.1431 -4.0268 -0.8945 -0.8696 0.7468 0.7591 1.2530 1.2629 1.4302 1.4600 3.0936 3.0951 3.4597 3.4901 3.6737 3.7177 4.0684 4.0709 4.3599 4.3608 4.6698 4.6814 5.1214 5.1327 5.5193 5.5423 11.3885 11.4130 12.5356 12.5506 12.8734 12.9132 13.0553 13.0987 k = 0.2444-0.4195 0.0000 ( 7960 PWs) bands (ev): -91.0901 -91.0901 -19.4940 -19.4940 -12.7678 -12.7643 -11.3466 -11.3415 -11.2751 -11.2689 -10.9815 -10.9760 -6.1332 -6.0700 -4.2124 -4.1812 -4.1466 -4.0343 -0.9296 -0.9060 0.7607 0.7751 1.2388 1.2478 1.4072 1.4386 3.1371 3.1393 3.4324 3.4610 3.6614 3.7050 4.0694 4.0730 4.3740 4.3753 4.6988 4.7110 5.1480 5.1598 5.5258 5.5485 11.4033 11.4265 12.5212 12.5372 12.8850 12.9132 13.0112 13.0491 k = 0.2362-0.4055 0.0000 ( 7958 PWs) bands (ev): -91.0901 -91.0901 -19.4949 -19.4949 -12.7758 -12.7724 -11.3267 -11.3208 -11.2714 -11.2648 -10.9865 -10.9809 -6.1330 -6.0747 -4.2105 -4.1818 -4.1498 -4.0419 -0.9657 -0.9435 0.7732 0.7898 1.2245 1.2324 1.3836 1.4163 3.1836 3.1865 3.4046 3.4316 3.6454 3.6882 4.0740 4.0796 4.3845 4.3872 4.7333 4.7458 5.1754 5.1876 5.5321 5.5546 11.4181 11.4400 12.5045 12.5222 12.8898 12.9020 12.9692 13.0061 k = 0.2281-0.3915-0.0000 ( 7956 PWs) bands (ev): -91.0901 -91.0901 -19.4958 -19.4958 -12.7836 -12.7803 -11.3094 -11.3029 -11.2648 -11.2580 -10.9914 -10.9856 -6.1329 -6.0793 -4.2089 -4.1824 -4.1525 -4.0495 -1.0026 -0.9818 0.7843 0.8031 1.2102 1.2168 1.3593 1.3930 3.2322 3.2351 3.3773 3.4025 3.6270 3.6687 4.0822 4.0895 4.3927 4.3964 4.7720 4.7846 5.2033 5.2158 5.5384 5.5605 11.4323 11.4526 12.4864 12.5054 12.8648 12.8814 12.9400 12.9819 k = 0.2199-0.3775-0.0000 ( 7958 PWs) bands (ev): -91.0901 -91.0901 -19.4968 -19.4968 -12.7912 -12.7880 -11.2967 -11.2906 -11.2525 -11.2464 -10.9961 -10.9900 -6.1330 -6.0837 -4.2076 -4.1830 -4.1548 -4.0571 -1.0402 -1.0208 0.7943 0.8153 1.1960 1.2010 1.3345 1.3689 3.2796 3.2810 3.3536 3.3763 3.6075 3.6480 4.0933 4.1018 4.3992 4.4037 4.8139 4.8263 5.2316 5.2444 5.5446 5.5664 11.4448 11.4631 12.4672 12.4864 12.8179 12.8405 12.9342 12.9726 k = 0.2118-0.3635-0.0000 ( 7958 PWs) bands (ev): -91.0901 -91.0901 -19.4978 -19.4978 -12.7986 -12.7956 -11.2889 -11.2840 -11.2348 -11.2298 -11.0005 -10.9943 -6.1333 -6.0880 -4.2068 -4.1839 -4.1564 -4.0646 -1.0783 -1.0603 0.8033 0.8266 1.1819 1.1852 1.3092 1.3441 3.2975 3.3106 3.3552 3.3701 3.5892 3.6281 4.1067 4.1159 4.4044 4.4094 4.8580 4.8702 5.2603 5.2733 5.5510 5.5723 11.4542 11.4704 12.4469 12.4653 12.7672 12.7922 12.9355 12.9681 k = 0.2037-0.3495 0.0000 ( 7952 PWs) bands (ev): -91.0901 -91.0901 -19.4988 -19.4988 -12.8057 -12.8029 -11.2844 -11.2803 -11.2144 -11.2100 -11.0046 -10.9982 -6.1340 -6.0919 -4.2065 -4.1849 -4.1575 -4.0720 -1.1167 -1.1003 0.8114 0.8369 1.1679 1.1695 1.2836 1.3185 3.2780 3.2958 3.3933 3.4019 3.5766 3.6126 4.1218 4.1312 4.4087 4.4140 4.9036 4.9156 5.2892 5.3023 5.5577 5.5785 11.4589 11.4731 12.4259 12.4425 12.7193 12.7464 12.9367 12.9641 k = 0.1955-0.3356 0.0000 ( 7956 PWs) bands (ev): -91.0901 -91.0901 -19.4999 -19.4999 -12.8127 -12.8100 -11.2815 -11.2780 -11.1931 -11.1888 -11.0083 -11.0017 -6.1349 -6.0955 -4.2066 -4.1861 -4.1580 -4.0791 -1.1554 -1.1404 0.8188 0.8465 1.1530 1.1549 1.2578 1.2923 3.2516 3.2688 3.4293 3.4313 3.5789 3.6085 4.1381 4.1474 4.4121 4.4176 4.9501 4.9618 5.3183 5.3314 5.5647 5.5850 11.4571 11.4697 12.4042 12.4195 12.6777 12.7066 12.9362 12.9596 k = 0.1874-0.3216-0.0000 ( 7948 PWs) bands (ev): -91.0901 -91.0901 -19.5010 -19.5010 -12.8194 -12.8168 -11.2794 -11.2762 -11.1717 -11.1673 -11.0115 -11.0048 -6.1362 -6.0988 -4.2071 -4.1874 -4.1582 -4.0858 -1.1941 -1.1805 0.8256 0.8555 1.1372 1.1416 1.2321 1.2658 3.2244 3.2403 3.4380 3.4468 3.6062 3.6258 4.1551 4.1641 4.4148 4.4206 4.9969 5.0084 5.3474 5.3604 5.5724 5.5920 11.4470 11.4588 12.3824 12.3995 12.6437 12.6740 12.9340 12.9541 k = 0.1792-0.3076-0.0000 ( 7952 PWs) bands (ev): -91.0901 -91.0901 -19.5021 -19.5021 -12.8258 -12.8233 -11.2778 -11.2749 -11.1505 -11.1460 -11.0140 -11.0071 -6.1379 -6.1017 -4.2080 -4.1887 -4.1583 -4.0922 -1.2327 -1.2205 0.8319 0.8639 1.1215 1.1288 1.2065 1.2389 3.1975 3.2119 3.4268 3.4428 3.6528 3.6655 4.1726 4.1811 4.4170 4.4229 5.0436 5.0549 5.3765 5.3893 5.5808 5.5998 11.4271 11.4392 12.3628 12.3848 12.6173 12.6486 12.9301 12.9478 k = 0.1711-0.2936-0.0000 ( 7960 PWs) bands (ev): -91.0901 -91.0901 -19.5032 -19.5032 -12.8320 -12.8297 -11.2765 -11.2738 -11.1302 -11.1256 -11.0156 -11.0086 -6.1399 -6.1043 -4.2093 -4.1900 -4.1584 -4.0982 -1.2710 -1.2602 0.8377 0.8718 1.1057 1.1165 1.1815 1.2119 3.1713 3.1842 3.4073 3.4263 3.7084 3.7179 4.1904 4.1981 4.4187 4.4248 5.0895 5.1007 5.4054 5.4179 5.5904 5.6085 11.3969 11.4100 12.3486 12.3767 12.5975 12.6299 12.9247 12.9408 k = 0.1629-0.2796 0.0000 ( 7960 PWs) bands (ev): -91.0901 -91.0901 -19.5043 -19.5043 -12.8379 -12.8357 -11.2753 -11.2728 -11.1112 -11.1067 -11.0157 -11.0087 -6.1421 -6.1065 -4.2108 -4.1912 -4.1586 -4.1037 -1.3088 -1.2993 0.8431 0.8793 1.0899 1.1048 1.1571 1.1850 3.1461 3.1575 3.3842 3.4042 3.7679 3.7758 4.2083 4.2150 4.4200 4.4263 5.1343 5.1453 5.4341 5.4462 5.6013 5.6185 11.3571 11.3713 12.3418 12.3758 12.5833 12.6166 12.9182 12.9333 k = 0.1548-0.2657-0.0000 ( 7962 PWs) bands (ev): -91.0901 -91.0901 -19.5054 -19.5054 -12.8435 -12.8415 -11.2743 -11.2720 -11.0942 -11.0902 -11.0135 -11.0069 -6.1446 -6.1086 -4.2125 -4.1924 -4.1591 -4.1088 -1.3461 -1.3378 0.8482 0.8865 1.0739 1.0937 1.1339 1.1584 3.1220 3.1319 3.3597 3.3796 3.8287 3.8357 4.2262 4.2317 4.4209 4.4275 5.1772 5.1881 5.4624 5.4741 5.6141 5.6302 11.3088 11.3238 12.3430 12.3819 12.5735 12.6078 12.9109 12.9253 k = 0.1466-0.2517-0.0000 ( 7958 PWs) bands (ev): -91.0901 -91.0901 -19.5066 -19.5065 -12.8489 -12.8469 -11.2734 -11.2712 -11.0803 -11.0773 -11.0081 -11.0022 -6.1471 -6.1105 -4.2142 -4.1934 -4.1599 -4.1134 -1.3826 -1.3754 0.8529 0.8933 1.0576 1.0831 1.1122 1.1322 3.0992 3.1075 3.3345 3.3537 3.8896 3.8957 4.2438 4.2481 4.4216 4.4285 5.2177 5.2286 5.4903 5.5014 5.6290 5.6440 11.2538 11.2691 12.3518 12.3943 12.5675 12.6027 12.9032 12.9171 k = 0.1385-0.2377 0.0000 ( 7954 PWs) bands (ev): -91.0901 -91.0901 -19.5076 -19.5076 -12.8540 -12.8522 -11.2726 -11.2706 -11.0702 -11.0687 -10.9988 -10.9939 -6.1496 -6.1123 -4.2160 -4.1944 -4.1611 -4.1176 -1.4181 -1.4121 0.8573 0.8999 1.0407 1.0730 1.0924 1.1069 3.0776 3.0845 3.3091 3.3274 3.9496 3.9552 4.2611 4.2641 4.4220 4.4293 5.2553 5.2660 5.5176 5.5281 5.6465 5.6602 11.1938 11.2091 12.3668 12.4119 12.5647 12.6006 12.8953 12.9086 k = 0.1303-0.2237 0.0000 ( 7954 PWs) bands (ev): -91.0901 -91.0901 -19.5087 -19.5087 -12.8588 -12.8571 -11.2718 -11.2700 -11.0640 -11.0639 -10.9862 -10.9821 -6.1520 -6.1141 -4.2176 -4.1953 -4.1626 -4.1214 -1.4526 -1.4475 0.8612 0.9061 1.0233 1.0626 1.0748 1.0834 3.0574 3.0630 3.2838 3.3009 4.0079 4.0133 4.2778 4.2800 4.4222 4.4301 5.2893 5.2999 5.5442 5.5540 5.6668 5.6791 11.1307 11.1456 12.3868 12.4333 12.5644 12.6010 12.8873 12.9000 k = 0.1222-0.2097 0.0000 ( 7956 PWs) bands (ev): -91.0901 -91.0901 -19.5098 -19.5098 -12.8633 -12.8617 -11.2712 -11.2695 -11.0616 -11.0605 -10.9716 -10.9680 -6.1542 -6.1160 -4.2191 -4.1961 -4.1643 -4.1250 -1.4859 -1.4817 0.8647 0.9120 1.0055 1.0485 1.0595 1.0650 3.0387 3.0430 3.2587 3.2746 4.0638 4.0698 4.2931 4.2962 4.4224 4.4308 5.3194 5.3298 5.5700 5.5791 5.6900 5.7010 11.0660 11.0803 12.4101 12.4573 12.5665 12.6035 12.8795 12.8915 k = 0.1140-0.1957 0.0000 ( 7958 PWs) bands (ev): -91.0901 -91.0901 -19.5108 -19.5108 -12.8675 -12.8661 -11.2705 -11.2690 -11.0608 -11.0589 -10.9562 -10.9528 -6.1563 -6.1180 -4.2204 -4.1968 -4.1662 -4.1285 -1.5178 -1.5143 0.8676 0.9175 0.9876 1.0286 1.0464 1.0542 3.0214 3.0245 3.2341 3.2487 4.1166 4.1243 4.3072 4.3127 4.4225 4.4316 5.3455 5.3557 5.5949 5.6034 5.7160 5.7256 11.0011 11.0147 12.4356 12.4825 12.5707 12.6079 12.8721 12.8831 k = 0.1059-0.1818-0.0000 ( 7954 PWs) bands (ev): -91.0901 -91.0901 -19.5118 -19.5118 -12.8715 -12.8701 -11.2700 -11.2686 -11.0606 -11.0584 -10.9406 -10.9372 -6.1581 -6.1201 -4.2214 -4.1973 -4.1683 -4.1320 -1.5482 -1.5453 0.8698 0.9225 0.9703 1.0075 1.0350 1.0469 3.0057 3.0077 3.2101 3.2233 4.1656 4.1764 4.3203 4.3291 4.4226 4.4327 5.3676 5.3774 5.6189 5.6269 5.7443 5.7527 10.9372 10.9498 12.4620 12.5076 12.5768 12.6138 12.8651 12.8750 k = 0.0978-0.1678 0.0000 ( 7958 PWs) bands (ev): -91.0901 -91.0901 -19.5127 -19.5127 -12.8751 -12.8739 -11.2695 -11.2682 -11.0609 -11.0584 -10.9253 -10.9220 -6.1596 -6.1222 -4.2221 -4.1977 -4.1706 -4.1354 -1.5770 -1.5745 0.8711 0.9269 0.9539 0.9872 1.0253 1.0410 2.9914 2.9926 3.1868 3.1986 4.2103 4.2255 4.3325 4.3457 4.4229 4.4341 5.3860 5.3954 5.6419 5.6493 5.7743 5.7815 10.8750 10.8868 12.4885 12.5316 12.5849 12.6209 12.8586 12.8672 k = 0.0896-0.1538-0.0000 ( 7952 PWs) bands (ev): -91.0901 -91.0901 -19.5136 -19.5136 -12.8785 -12.8773 -11.2690 -11.2679 -11.0614 -11.0588 -10.9107 -10.9075 -6.1608 -6.1245 -4.2225 -4.1979 -4.1729 -4.1389 -1.6040 -1.6018 0.8712 0.9305 0.9388 0.9687 1.0172 1.0361 2.9785 2.9793 3.1644 3.1748 4.2498 4.2713 4.3435 4.3628 4.4235 4.4363 5.4012 5.4101 5.6638 5.6707 5.8053 5.8114 10.8156 10.8265 12.5143 12.5532 12.5950 12.6290 12.8527 12.8600 k = 0.0815-0.1398 0.0000 ( 7950 PWs) bands (ev): -91.0901 -91.0901 -19.5144 -19.5144 -12.8816 -12.8805 -11.2686 -11.2676 -11.0619 -11.0593 -10.8968 -10.8937 -6.1616 -6.1270 -4.2226 -4.1979 -4.1753 -4.1426 -1.6291 -1.6271 0.8698 0.9245 0.9332 0.9529 1.0107 1.0320 2.9669 2.9681 3.1429 3.1519 4.2832 4.3133 4.3535 4.3803 4.4248 4.4398 5.4136 5.4219 5.6844 5.6908 5.8364 5.8416 10.7595 10.7694 12.5388 12.5716 12.6071 12.6379 12.8474 12.8533 k = 0.0733-0.1258 0.0000 ( 7938 PWs) bands (ev): -91.0901 -91.0901 -19.5152 -19.5152 -12.8843 -12.8834 -11.2683 -11.2674 -11.0623 -11.0599 -10.8839 -10.8810 -6.1621 -6.1295 -4.2223 -4.1977 -4.1777 -4.1464 -1.6522 -1.6503 0.8666 0.9116 0.9326 0.9421 1.0058 1.0286 2.9567 2.9586 3.1225 3.1301 4.3099 4.3502 4.3624 4.3975 4.4275 4.4456 5.4238 5.4315 5.7036 5.7094 5.8669 5.8713 10.7072 10.7162 12.5615 12.5866 12.6205 12.6472 12.8427 12.8474 k = 0.0652-0.1119-0.0000 ( 7930 PWs) bands (ev): -91.0901 -91.0901 -19.5159 -19.5159 -12.8868 -12.8860 -11.2680 -11.2672 -11.0628 -11.0604 -10.8721 -10.8694 -6.1623 -6.1321 -4.2216 -4.1973 -4.1801 -4.1502 -1.6731 -1.6713 0.8617 0.8990 0.9272 0.9392 1.0027 1.0258 2.9482 2.9506 3.1033 3.1096 4.3304 4.3684 4.3825 4.4114 4.4340 4.4554 5.4321 5.4390 5.7212 5.7265 5.8960 5.8997 10.6593 10.6674 12.5822 12.5992 12.6338 12.6565 12.8385 12.8424 k = 0.0570-0.0979-0.0000 ( 7916 PWs) bands (ev): -91.0901 -91.0901 -19.5165 -19.5165 -12.8890 -12.8883 -11.2677 -11.2670 -11.0632 -11.0610 -10.8614 -10.8590 -6.1622 -6.1347 -4.2206 -4.1968 -4.1824 -4.1542 -1.6918 -1.6901 0.8558 0.8867 0.9224 0.9382 1.0011 1.0234 2.9414 2.9441 3.0855 3.0906 4.3455 4.3743 4.4041 4.4192 4.4479 4.4701 5.4388 5.4450 5.7373 5.7420 5.9233 5.9263 10.6162 10.6233 12.6006 12.6103 12.6458 12.6656 12.8346 12.8384 k = 0.0489-0.0839-0.0000 ( 7912 PWs) bands (ev): -91.0901 -91.0901 -19.5171 -19.5171 -12.8909 -12.8903 -11.2674 -11.2669 -11.0635 -11.0616 -10.8520 -10.8499 -6.1617 -6.1374 -4.2191 -4.1962 -4.1845 -4.1582 -1.7081 -1.7066 0.8496 0.8750 0.9197 0.9368 1.0008 1.0213 2.9361 2.9390 3.0693 3.0732 4.3568 4.3786 4.4164 4.4235 4.4676 4.4873 5.4443 5.4497 5.7515 5.7555 5.9480 5.9505 10.5783 10.5844 12.6165 12.6204 12.6561 12.6740 12.8311 12.8353 k = 0.0407-0.0699 0.0000 ( 7908 PWs) bands (ev): -91.0901 -91.0901 -19.5175 -19.5175 -12.8925 -12.8920 -11.2672 -11.2667 -11.0637 -11.0620 -10.8440 -10.8421 -6.1609 -6.1401 -4.2174 -4.1959 -4.1861 -4.1621 -1.7220 -1.7206 0.8439 0.8644 0.9185 0.9348 1.0016 1.0195 2.9323 2.9353 3.0548 3.0577 4.3651 4.3816 4.4233 4.4267 4.4881 4.5041 5.4487 5.4533 5.7637 5.7672 5.9698 5.9718 10.5458 10.5509 12.6288 12.6305 12.6646 12.6811 12.8281 12.8329 k = 0.0326-0.0559-0.0000 ( 7905 PWs) bands (ev): -91.0901 -91.0901 -19.5179 -19.5179 -12.8938 -12.8934 -11.2670 -11.2667 -11.0638 -11.0625 -10.8372 -10.8358 -6.1598 -6.1428 -4.2153 -4.1964 -4.1868 -4.1660 -1.7335 -1.7323 0.8391 0.8552 0.9184 0.9325 1.0030 1.0178 2.9298 2.9326 3.0423 3.0443 4.3713 4.3835 4.4276 4.4296 4.5065 4.5188 5.4523 5.4560 5.7740 5.7768 5.9882 5.9897 10.5189 10.5230 12.6369 12.6410 12.6718 12.6868 12.8259 12.8308 k = 0.0244-0.0419-0.0000 ( 7905 PWs) bands (ev): -91.0901 -91.0901 -19.5182 -19.5182 -12.8948 -12.8945 -11.2669 -11.2666 -11.0639 -11.0629 -10.8319 -10.8308 -6.1584 -6.1454 -4.2130 -4.1979 -4.1862 -4.1698 -1.7424 -1.7414 0.8356 0.8475 0.9189 0.9301 1.0048 1.0161 2.9285 2.9309 3.0321 3.0333 4.3758 4.3844 4.4306 4.4319 4.5215 4.5305 5.4550 5.4578 5.7822 5.7843 6.0029 6.0040 10.4979 10.5010 12.6437 12.6487 12.6780 12.6906 12.8244 12.8289 k = 0.0163-0.0280-0.0000 ( 7907 PWs) bands (ev): -91.0901 -91.0901 -19.5185 -19.5185 -12.8955 -12.8953 -11.2668 -11.2666 -11.0639 -11.0632 -10.8281 -10.8273 -6.1567 -6.1480 -4.2105 -4.2000 -4.1847 -4.1734 -1.7487 -1.7481 0.8335 0.8414 0.9200 0.9276 1.0068 1.0144 2.9280 2.9298 3.0244 3.0251 4.3792 4.3847 4.4328 4.4337 4.5328 4.5387 5.4570 5.4589 5.7882 5.7896 6.0136 6.0143 10.4830 10.4851 12.6491 12.6535 12.6835 12.6927 12.8237 12.8272 k = 0.0081-0.0140-0.0000 ( 7915 PWs) bands (ev): -91.0901 -91.0901 -19.5186 -19.5186 -12.8959 -12.8958 -11.2667 -11.2666 -11.0638 -11.0635 -10.8257 -10.8253 -6.1548 -6.1504 -4.2079 -4.2025 -4.1825 -4.1767 -1.7524 -1.7521 0.8330 0.8369 0.9215 0.9253 1.0088 1.0127 2.9281 2.9290 3.0197 3.0200 4.3816 4.3842 4.4342 4.4346 4.5403 4.5431 5.4584 5.4594 5.7919 5.7926 6.0202 6.0205 10.4742 10.4752 12.6531 12.6556 12.6879 12.6928 12.8238 12.8257 k = 0.0000 0.0000 0.0000 ( 7917 PWs) bands (ev): -91.0901 -91.0901 -19.5186 -19.5186 -12.8960 -12.8960 -11.2666 -11.2666 -11.0637 -11.0637 -10.8247 -10.8247 -6.1527 -6.1527 -4.2052 -4.2052 -4.1798 -4.1798 -1.7536 -1.7536 0.8341 0.8341 0.9233 0.9233 1.0108 1.0108 2.9285 2.9285 3.0182 3.0182 4.3832 4.3832 4.4348 4.4348 4.5437 4.5437 5.4592 5.4592 5.7934 5.7934 6.0225 6.0225 10.4716 10.4716 12.6553 12.6553 12.6912 12.6912 12.8245 12.8245 k = 0.0000 0.0000 0.0000 ( 7917 PWs) bands (ev): -91.0901 -91.0901 -19.5186 -19.5186 -12.8960 -12.8960 -11.2666 -11.2666 -11.0637 -11.0637 -10.8247 -10.8247 -6.1527 -6.1527 -4.2052 -4.2052 -4.1798 -4.1798 -1.7536 -1.7536 0.8341 0.8341 0.9233 0.9233 1.0108 1.0108 2.9285 2.9285 3.0182 3.0182 4.3832 4.3832 4.4348 4.4348 4.5437 4.5437 5.4592 5.4592 5.7934 5.7934 6.0225 6.0225 10.4716 10.4716 12.6553 12.6553 12.6912 12.6912 12.8245 12.8245 k = 0.0132-0.0075-0.0052 ( 7913 PWs) bands (ev): -91.0901 -91.0901 -19.5186 -19.5186 -12.8958 -12.8958 -11.2668 -11.2665 -11.0640 -11.0637 -10.8254 -10.8251 -6.1550 -6.1503 -4.2081 -4.2026 -4.1818 -4.1772 -1.7525 -1.7522 0.8321 0.8368 0.9215 0.9258 1.0095 1.0126 2.9281 2.9296 3.0194 3.0196 4.3816 4.3838 4.4339 4.4343 4.5409 4.5432 5.4584 5.4592 5.7918 5.7926 6.0206 6.0213 10.4742 10.4751 12.6533 12.6556 12.6882 12.6929 12.8227 12.8261 k = 0.0263-0.0149-0.0104 ( 7908 PWs) bands (ev): -91.0901 -91.0901 -19.5185 -19.5185 -12.8954 -12.8952 -11.2671 -11.2665 -11.0646 -11.0640 -10.8271 -10.8265 -6.1572 -6.1476 -4.2112 -4.2003 -4.1830 -4.1742 -1.7489 -1.7483 0.8308 0.8400 0.9205 0.9289 1.0088 1.0150 2.9284 2.9313 3.0232 3.0237 4.3789 4.3832 4.4317 4.4323 4.5351 4.5398 5.4567 5.4582 5.7880 5.7895 6.0158 6.0171 10.4829 10.4846 12.6492 12.6543 12.6838 12.6936 12.8208 12.8276 k = 0.0395-0.0224-0.0157 ( 7906 PWs) bands (ev): -91.0901 -91.0901 -19.5183 -19.5183 -12.8947 -12.8944 -11.2674 -11.2665 -11.0655 -11.0646 -10.8297 -10.8288 -6.1591 -6.1449 -4.2145 -4.1986 -4.1832 -4.1710 -1.7429 -1.7420 0.8302 0.8437 0.9202 0.9327 1.0086 1.0180 2.9297 2.9337 3.0295 3.0304 4.3745 4.3812 4.4278 4.4289 4.5267 4.5338 5.4540 5.4563 5.7819 5.7842 6.0079 6.0099 10.4976 10.5001 12.6427 12.6507 12.6784 12.6937 12.8191 12.8292 k = 0.0526-0.0298-0.0209 ( 7905 PWs) bands (ev): -91.0901 -91.0901 -19.5180 -19.5180 -12.8937 -12.8933 -11.2678 -11.2667 -11.0667 -11.0655 -10.8334 -10.8321 -6.1608 -6.1420 -4.2181 -4.1973 -4.1821 -4.1678 -1.7344 -1.7333 0.8303 0.8478 0.9208 0.9370 1.0092 1.0215 2.9321 2.9370 3.0379 3.0395 4.3679 4.3770 4.4218 4.4246 4.5166 4.5262 5.4504 5.4535 5.7737 5.7767 5.9972 5.9997 10.5181 10.5215 12.6331 12.6438 12.6729 12.6935 12.8178 12.8310 k = 0.0658-0.0373-0.0261 ( 7909 PWs) bands (ev): -91.0901 -91.0901 -19.5176 -19.5176 -12.8923 -12.8919 -11.2683 -11.2669 -11.0683 -11.0668 -10.8379 -10.8364 -6.1624 -6.1391 -4.2218 -4.1964 -4.1800 -4.1645 -1.7236 -1.7222 0.8313 0.8524 0.9220 0.9416 1.0105 1.0258 2.9358 2.9413 3.0484 3.0508 4.3576 4.3689 4.4140 4.4199 4.5060 4.5179 5.4458 5.4496 5.7635 5.7671 5.9835 5.9866 10.5444 10.5486 12.6203 12.6325 12.6684 12.6934 12.8173 12.8333 k = 0.0789-0.0448-0.0313 ( 7915 PWs) bands (ev): -91.0901 -91.0901 -19.5171 -19.5171 -12.8907 -12.8902 -11.2688 -11.2671 -11.0702 -11.0685 -10.8432 -10.8415 -6.1637 -6.1361 -4.2256 -4.1956 -4.1772 -4.1612 -1.7103 -1.7087 0.8331 0.8574 0.9240 0.9464 1.0128 1.0307 2.9409 2.9467 3.0607 3.0641 4.3422 4.3548 4.4059 4.4155 4.4958 4.5101 5.4401 5.4446 5.7515 5.7556 5.9671 5.9708 10.5762 10.5812 12.6040 12.6166 12.6650 12.6932 12.8178 12.8363 k = 0.0921-0.0522-0.0365 ( 7921 PWs) bands (ev): -91.0901 -91.0901 -19.5166 -19.5166 -12.8888 -12.8881 -11.2694 -11.2675 -11.0726 -11.0705 -10.8494 -10.8473 -6.1648 -6.1330 -4.2295 -4.1946 -4.1740 -4.1580 -1.6948 -1.6930 0.8357 0.8628 0.9265 0.9513 1.0161 1.0365 2.9475 2.9533 3.0745 3.0792 4.3206 4.3331 4.3989 4.4116 4.4866 4.5033 5.4332 5.4383 5.7379 5.7425 5.9480 5.9522 10.6133 10.6191 12.5845 12.5966 12.6625 12.6932 12.8195 12.8401 k = 0.1053-0.0597-0.0417 ( 7928 PWs) bands (ev): -91.0901 -91.0901 -19.5160 -19.5160 -12.8865 -12.8859 -11.2700 -11.2679 -11.0753 -11.0730 -10.8562 -10.8539 -6.1656 -6.1300 -4.2334 -4.1933 -4.1706 -4.1549 -1.6771 -1.6750 0.8392 0.8687 0.9296 0.9562 1.0207 1.0431 2.9557 2.9614 3.0899 3.0959 4.2925 4.3039 4.3931 4.4084 4.4786 4.4976 5.4249 5.4308 5.7229 5.7278 5.9264 5.9310 10.6553 10.6619 12.5618 12.5732 12.6607 12.6934 12.8225 12.8450 k = 0.1184-0.0671-0.0470 ( 7934 PWs) bands (ev): -91.0901 -91.0901 -19.5153 -19.5153 -12.8841 -12.8833 -11.2707 -11.2684 -11.0786 -11.0759 -10.8635 -10.8610 -6.1663 -6.1269 -4.2373 -4.1917 -4.1671 -4.1518 -1.6572 -1.6550 0.8436 0.8749 0.9330 0.9610 1.0266 1.0505 2.9654 2.9708 3.1065 3.1141 4.2584 4.2683 4.3880 4.4056 4.4716 4.4930 5.4152 5.4216 5.7068 5.7119 5.9024 5.9074 10.7019 10.7094 12.5366 12.5468 12.6593 12.6937 12.8267 12.8508 k = 0.1316-0.0746-0.0522 ( 7944 PWs) bands (ev): -91.0901 -91.0901 -19.5145 -19.5145 -12.8813 -12.8805 -11.2715 -11.2689 -11.0823 -11.0794 -10.8713 -10.8686 -6.1667 -6.1239 -4.2410 -4.1898 -4.1637 -4.1486 -1.6352 -1.6329 0.8489 0.8816 0.9368 0.9657 1.0339 1.0588 2.9769 2.9817 3.1244 3.1335 4.2189 4.2273 4.3833 4.4030 4.4652 4.4891 5.4038 5.4109 5.6899 5.6951 5.8762 5.8815 10.7527 10.7609 12.5093 12.5183 12.6583 12.6942 12.8321 12.8576 k = 0.1447-0.0820-0.0574 ( 7943 PWs) bands (ev): -91.0901 -91.0901 -19.5137 -19.5137 -12.8783 -12.8774 -11.2723 -11.2695 -11.0866 -11.0834 -10.8795 -10.8765 -6.1669 -6.1209 -4.2446 -4.1876 -4.1606 -4.1454 -1.6113 -1.6089 0.8551 0.8888 0.9408 0.9703 1.0425 1.0680 2.9900 2.9942 3.1433 3.1540 4.1748 4.1819 4.3785 4.4003 4.4593 4.4856 5.3906 5.3983 5.6725 5.6775 5.8481 5.8536 10.8071 10.8161 12.4806 12.4883 12.6579 12.6951 12.8387 12.8654 k = 0.1579-0.0895-0.0626 ( 7948 PWs) bands (ev): -91.0901 -91.0901 -19.5129 -19.5129 -12.8751 -12.8741 -11.2731 -11.2701 -11.0915 -11.0880 -10.8878 -10.8847 -6.1669 -6.1181 -4.2481 -4.1851 -4.1579 -4.1419 -1.5855 -1.5830 0.8621 0.8965 0.9450 0.9750 1.0524 1.0779 3.0048 3.0082 3.1631 3.1755 4.1267 4.1328 4.3736 4.3974 4.4534 4.4822 5.3755 5.3838 5.6548 5.6595 5.8184 5.8240 10.8645 10.8743 12.4513 12.4577 12.6579 12.6964 12.8463 12.8742 k = 0.1711-0.0970-0.0678 ( 7949 PWs) bands (ev): -91.0901 -91.0901 -19.5120 -19.5120 -12.8716 -12.8706 -11.2739 -11.2708 -11.0970 -11.0933 -10.8962 -10.8929 -6.1667 -6.1153 -4.2513 -4.1824 -4.1557 -4.1383 -1.5581 -1.5555 0.8699 0.9047 0.9494 0.9799 1.0634 1.0887 3.0212 3.0237 3.1837 3.1978 4.0751 4.0804 4.3682 4.3941 4.4475 4.4788 5.3584 5.3672 5.6368 5.6411 5.7874 5.7930 10.9242 10.9347 12.4223 12.4274 12.6586 12.6982 12.8548 12.8838 k = 0.1842-0.1044-0.0731 ( 7944 PWs) bands (ev): -91.0901 -91.0901 -19.5110 -19.5110 -12.8679 -12.8669 -11.2748 -11.2716 -11.1032 -11.0993 -10.9045 -10.9011 -6.1663 -6.1127 -4.2543 -4.1795 -4.1540 -4.1344 -1.5291 -1.5265 0.8785 0.9133 0.9541 0.9852 1.0755 1.1002 3.0391 3.0407 3.2049 3.2207 4.0207 4.0253 4.3624 4.3904 4.4414 4.4751 5.3393 5.3487 5.6185 5.6221 5.7558 5.7613 10.9852 10.9965 12.3948 12.3988 12.6600 12.7006 12.8642 12.8943 k = 0.1974-0.1119-0.0783 ( 7946 PWs) bands (ev): -91.0901 -91.0901 -19.5101 -19.5100 -12.8641 -12.8630 -11.2757 -11.2723 -11.1102 -11.1060 -10.9126 -10.9092 -6.1656 -6.1102 -4.2570 -4.1765 -4.1527 -4.1304 -1.4987 -1.4961 0.8878 0.9224 0.9591 0.9910 1.0883 1.1124 3.0585 3.0593 3.2267 3.2440 3.9639 3.9681 4.3561 4.3860 4.4350 4.4711 5.3183 5.3282 5.5995 5.6023 5.7244 5.7295 11.0463 11.0584 12.3701 12.3731 12.6621 12.7037 12.8743 12.9056 k = 0.2105-0.1193-0.0835 ( 7949 PWs) bands (ev): -91.0901 -91.0901 -19.5090 -19.5090 -12.8600 -12.8589 -11.2767 -11.2732 -11.1178 -11.1134 -10.9203 -10.9169 -6.1648 -6.1079 -4.2595 -4.1735 -4.1518 -4.1264 -1.4670 -1.4644 0.8977 0.9318 0.9645 0.9975 1.1018 1.1251 3.0789 3.0798 3.2488 3.2677 3.9053 3.9091 4.3490 4.3809 4.4282 4.4667 5.2956 5.3059 5.5788 5.5809 5.6942 5.6987 11.1063 11.1190 12.3495 12.3523 12.6650 12.7076 12.8851 12.9175 k = 0.2237-0.1268-0.0887 ( 7945 PWs) bands (ev): -91.0901 -91.0901 -19.5080 -19.5080 -12.8559 -12.8547 -11.2776 -11.2740 -11.1262 -11.1216 -10.9277 -10.9243 -6.1638 -6.1059 -4.2616 -4.1706 -4.1510 -4.1223 -1.4343 -1.4317 0.9082 0.9414 0.9705 1.0048 1.1158 1.1382 3.1003 3.1021 3.2710 3.2913 3.8454 3.8489 4.3412 4.3749 4.4209 4.4616 5.2713 5.2822 5.5550 5.5573 5.6667 5.6702 11.1633 11.1766 12.3349 12.3383 12.6689 12.7123 12.8965 12.9301 k = 0.2368-0.1343-0.0939 ( 7947 PWs) bands (ev): -91.0901 -91.0901 -19.5070 -19.5070 -12.8516 -12.8504 -11.2786 -11.2749 -11.1352 -11.1305 -10.9346 -10.9312 -6.1626 -6.1040 -4.2634 -4.1682 -4.1501 -4.1183 -1.4008 -1.3982 0.9191 0.9509 0.9775 1.0130 1.1303 1.1518 3.1229 3.1258 3.2930 3.3146 3.7850 3.7882 4.3325 4.3679 4.4132 4.4559 5.2459 5.2572 5.5272 5.5305 5.6429 5.6454 11.2156 11.2294 12.3284 12.3330 12.6738 12.7180 12.9083 12.9433 k = 0.2500-0.1417-0.0991 ( 7951 PWs) bands (ev): -91.0901 -91.0901 -19.5059 -19.5059 -12.8472 -12.8459 -11.2796 -11.2758 -11.1448 -11.1399 -10.9410 -10.9377 -6.1612 -6.1023 -4.2649 -4.1665 -4.1488 -4.1144 -1.3666 -1.3641 0.9303 0.9602 0.9857 1.0220 1.1450 1.1656 3.1468 3.1506 3.3143 3.3370 3.7249 3.7278 4.3228 4.3597 4.4049 4.4494 5.2197 5.2315 5.4954 5.4998 5.6230 5.6250 11.2611 11.2751 12.3325 12.3383 12.6797 12.7248 12.9205 12.9569 k = 0.2632-0.1492-0.1044 ( 7947 PWs) bands (ev): -91.0901 -91.0901 -19.5048 -19.5048 -12.8427 -12.8415 -11.2806 -11.2767 -11.1550 -11.1499 -10.9468 -10.9436 -6.1596 -6.1009 -4.2661 -4.1659 -4.1469 -4.1107 -1.3321 -1.3295 0.9418 0.9691 0.9953 1.0320 1.1598 1.1795 3.1716 3.1763 3.3340 3.3575 3.6664 3.6692 4.3121 4.3502 4.3960 4.4420 5.1931 5.2053 5.4605 5.4658 5.6068 5.6085 11.2980 11.3120 12.3489 12.3560 12.6870 12.7328 12.9330 12.9708 k = 0.2763-0.1566-0.1096 ( 7947 PWs) bands (ev): -91.0901 -91.0901 -19.5038 -19.5038 -12.8382 -12.8370 -11.2816 -11.2777 -11.1656 -11.1604 -10.9521 -10.9490 -6.1579 -6.0997 -4.2669 -4.1662 -4.1442 -4.1072 -1.2973 -1.2948 0.9535 0.9776 1.0064 1.0428 1.1746 1.1936 3.1971 3.2027 3.3505 3.3740 3.6115 3.6151 4.3002 4.3392 4.3866 4.4336 5.1664 5.1791 5.4234 5.4294 5.5934 5.5951 11.3252 11.3389 12.3788 12.3873 12.6956 12.7421 12.9456 12.9851 k = 0.2895-0.1641-0.1148 ( 7945 PWs) bands (ev): -91.0901 -91.0901 -19.5028 -19.5028 -12.8337 -12.8324 -11.2826 -11.2786 -11.1764 -11.1711 -10.9569 -10.9539 -6.1561 -6.0988 -4.2673 -4.1675 -4.1410 -4.1039 -1.2626 -1.2601 0.9651 0.9858 1.0187 1.0544 1.1893 1.2075 3.2225 3.2288 3.3604 3.3827 3.5642 3.5709 4.2872 4.3266 4.3765 4.4242 5.1401 5.1530 5.3852 5.3916 5.5821 5.5839 11.3423 11.3554 12.4223 12.4322 12.7060 12.7531 12.9583 12.9994 k = 0.3026-0.1716-0.1200 ( 7946 PWs) bands (ev): -91.0901 -91.0901 -19.5017 -19.5017 -12.8292 -12.8280 -11.2837 -11.2796 -11.1873 -11.1819 -10.9612 -10.9583 -6.1541 -6.0982 -4.2674 -4.1694 -4.1374 -4.1008 -1.2282 -1.2258 0.9768 0.9941 1.0321 1.0666 1.2038 1.2213 3.2457 3.2527 3.3585 3.3777 3.5321 3.5445 4.2729 4.3125 4.3658 4.4137 5.1142 5.1276 5.3467 5.3534 5.5725 5.5744 11.3500 11.3623 12.4778 12.4895 12.7188 12.7663 12.9709 13.0138 k = 0.3158-0.1790-0.1252 ( 7947 PWs) bands (ev): -91.0901 -91.0901 -19.5008 -19.5008 -12.8247 -12.8235 -11.2848 -11.2807 -11.1983 -11.1928 -10.9650 -10.9623 -6.1520 -6.0978 -4.2671 -4.1719 -4.1337 -4.0981 -1.1944 -1.1920 0.9883 1.0025 1.0463 1.0794 1.2180 1.2349 3.2586 3.2668 3.3474 3.3633 3.5210 3.5393 4.2572 4.2966 4.3544 4.4019 5.0893 5.1028 5.3086 5.3155 5.5642 5.5662 11.3497 11.3609 12.5422 12.5561 12.7358 12.7832 12.9835 13.0281 k = 0.3289-0.1865-0.1305 ( 7952 PWs) bands (ev): -91.0901 -91.0901 -19.4998 -19.4998 -12.8204 -12.8192 -11.2860 -11.2818 -11.2090 -11.2034 -10.9684 -10.9659 -6.1497 -6.0977 -4.2664 -4.1748 -4.1298 -4.0955 -1.1614 -1.1590 0.9997 1.0112 1.0610 1.0926 1.2317 1.2481 3.2440 3.2533 3.3496 3.3633 3.5267 3.5487 4.2404 4.2792 4.3421 4.3889 5.0654 5.0791 5.2714 5.2785 5.5568 5.5589 11.3429 11.3531 12.6092 12.6266 12.7614 12.8067 12.9961 13.0423 k = 0.3421-0.1939-0.1357 ( 7953 PWs) bands (ev): -91.0901 -91.0901 -19.4989 -19.4989 -12.8161 -12.8150 -11.2873 -11.2830 -11.2195 -11.2137 -10.9714 -10.9690 -6.1474 -6.0978 -4.2654 -4.1781 -4.1260 -4.0933 -1.1295 -1.1272 1.0109 1.0202 1.0761 1.1060 1.2450 1.2608 3.2048 3.2137 3.3709 3.3834 3.5412 3.5649 4.2222 4.2602 4.3290 4.3747 5.0427 5.0565 5.2358 5.2429 5.5503 5.5524 11.3314 11.3406 12.6673 12.6905 12.8053 12.8440 13.0094 13.0567 k = 0.3553-0.2014-0.1409 ( 7953 PWs) bands (ev): -91.0901 -91.0901 -19.4980 -19.4980 -12.8121 -12.8110 -11.2887 -11.2843 -11.2293 -11.2235 -10.9740 -10.9718 -6.1450 -6.0981 -4.2640 -4.1817 -4.1222 -4.0914 -1.0990 -1.0967 1.0217 1.0294 1.0913 1.1194 1.2576 1.2730 3.1568 3.1650 3.3996 3.4117 3.5598 3.5842 4.2029 4.2398 4.3150 4.3591 5.0213 5.0350 5.2021 5.2093 5.5445 5.5466 11.3168 11.3249 12.7063 12.7371 12.8725 12.9021 13.0262 13.0726 k = 0.3684-0.2088-0.1461 ( 7951 PWs) bands (ev): -91.0901 -91.0901 -19.4972 -19.4972 -12.8082 -12.8072 -11.2903 -11.2858 -11.2385 -11.2326 -10.9763 -10.9743 -6.1424 -6.0988 -4.2623 -4.1855 -4.1185 -4.0898 -1.0701 -1.0678 1.0322 1.0388 1.1065 1.1326 1.2695 1.2845 3.1069 3.1144 3.4311 3.4429 3.5802 3.6047 4.1826 4.2180 4.3002 4.3424 5.0013 5.0149 5.1708 5.1780 5.5394 5.5414 11.3004 11.3075 12.7317 12.7676 12.9457 12.9709 13.0581 13.0953 k = 0.3816-0.2163-0.1513 ( 7949 PWs) bands (ev): -91.0901 -91.0901 -19.4965 -19.4965 -12.8045 -12.8036 -11.2921 -11.2876 -11.2468 -11.2409 -10.9783 -10.9765 -6.1399 -6.0996 -4.2603 -4.1895 -4.1149 -4.0885 -1.0430 -1.0409 1.0423 1.0483 1.1214 1.1454 1.2808 1.2953 3.0579 3.0648 3.4639 3.4755 3.6013 3.6254 4.1614 4.1951 4.2848 4.3245 4.9829 4.9960 5.1424 5.1494 5.5348 5.5368 11.2832 11.2894 12.7511 12.7894 12.9906 13.0245 13.1287 13.1422 k = 0.3947-0.2238-0.1566 ( 7953 PWs) bands (ev): -91.0901 -91.0901 -19.4958 -19.4958 -12.8012 -12.8003 -11.2942 -11.2898 -11.2539 -11.2482 -10.9800 -10.9784 -6.1372 -6.1007 -4.2579 -4.1938 -4.1114 -4.0875 -1.0180 -1.0160 1.0518 1.0575 1.1357 1.1575 1.2914 1.3052 3.0112 3.0174 3.4973 3.5085 3.6224 3.6457 4.1395 4.1712 4.2689 4.3058 4.9660 4.9785 5.1170 5.1238 5.5308 5.5326 11.2661 11.2715 12.7681 12.8071 13.0074 13.0506 13.2225 13.2281 k = 0.4079-0.2312-0.1618 ( 7953 PWs) bands (ev): -91.0901 -91.0901 -19.4952 -19.4952 -12.7981 -12.7973 -11.2965 -11.2923 -11.2597 -11.2544 -10.9815 -10.9801 -6.1346 -6.1020 -4.2552 -4.1981 -4.1081 -4.0868 -0.9954 -0.9935 1.0609 1.0663 1.1492 1.1687 1.3011 1.3141 2.9679 2.9734 3.5306 3.5414 3.6430 3.6652 4.1173 4.1466 4.2529 4.2865 4.9508 4.9624 5.0949 5.1013 5.5273 5.5290 11.2498 11.2544 12.7838 12.8225 13.0151 13.0608 13.3200 13.3336 k = 0.4211-0.2387-0.1670 ( 7951 PWs) bands (ev): -91.0901 -91.0901 -19.4946 -19.4946 -12.7953 -12.7947 -11.2990 -11.2953 -11.2642 -11.2595 -10.9827 -10.9815 -6.1319 -6.1035 -4.2522 -4.2026 -4.1049 -4.0865 -0.9753 -0.9736 1.0692 1.0743 1.1617 1.1788 1.3100 1.3220 2.9287 2.9335 3.5634 3.5736 3.6627 3.6833 4.0952 4.1217 4.2373 4.2671 4.9374 4.9478 5.0762 5.0819 5.5243 5.5258 11.2348 11.2387 12.7989 12.8361 13.0190 13.0641 13.4163 13.4388 k = 0.4342-0.2461-0.1722 ( 7953 PWs) bands (ev): -91.0901 -91.0901 -19.4942 -19.4942 -12.7930 -12.7924 -11.3015 -11.2985 -11.2675 -11.2635 -10.9837 -10.9827 -6.1291 -6.1052 -4.2490 -4.2071 -4.1020 -4.0864 -0.9579 -0.9565 1.0768 1.0814 1.1730 1.1875 1.3181 1.3287 2.8943 2.8984 3.5950 3.6044 3.6810 3.6997 4.0737 4.0969 4.2227 4.2482 4.9259 4.9349 5.0608 5.0658 5.5218 5.5231 11.2216 11.2247 12.8132 12.8478 13.0211 13.0635 13.4979 13.5313 k = 0.4474-0.2536-0.1774 ( 7955 PWs) bands (ev): -91.0901 -91.0901 -19.4938 -19.4938 -12.7910 -12.7905 -11.3040 -11.3016 -11.2697 -11.2665 -10.9845 -10.9837 -6.1264 -6.1071 -4.2455 -4.2116 -4.0993 -4.0867 -0.9434 -0.9422 1.0834 1.0874 1.1828 1.1946 1.3252 1.3342 2.8653 2.8686 3.6245 3.6328 3.6974 3.7137 4.0535 4.0730 4.2096 4.2305 4.9165 4.9239 5.0486 5.0527 5.5198 5.5208 11.2104 11.2129 12.8266 12.8574 13.0225 13.0600 13.5511 13.5871 k = 0.4605-0.2611-0.1826 ( 7959 PWs) bands (ev): -91.0901 -91.0901 -19.4935 -19.4935 -12.7894 -12.7890 -11.3060 -11.3043 -11.2712 -11.2688 -10.9851 -10.9844 -6.1238 -6.1091 -4.2418 -4.2162 -4.0968 -4.0873 -0.9319 -0.9310 1.0889 1.0921 1.1910 1.2000 1.3312 1.3382 2.8422 2.8448 3.6506 3.6576 3.7115 3.7249 4.0357 4.0511 4.1989 4.2149 4.9092 4.9149 5.0394 5.0426 5.5182 5.5190 11.2015 11.2034 12.8390 12.8643 13.0240 13.0547 13.5802 13.6090 k = 0.4737-0.2685-0.1879 ( 7963 PWs) bands (ev): -91.0901 -91.0901 -19.4932 -19.4932 -12.7882 -12.7880 -11.3076 -11.3065 -11.2720 -11.2704 -10.9854 -10.9850 -6.1211 -6.1113 -4.2379 -4.2207 -4.0945 -4.0882 -0.9236 -0.9230 1.0932 1.0954 1.1974 1.2035 1.3360 1.3409 2.8255 2.8272 3.6719 3.6772 3.7228 3.7326 4.0219 4.0325 4.1914 4.2022 4.9042 4.9081 5.0331 5.0353 5.5172 5.5177 11.1952 11.1964 12.8499 12.8680 13.0264 13.0484 13.5983 13.6181 k = 0.4868-0.2760-0.1931 ( 7964 PWs) bands (ev): -91.0901 -91.0901 -19.4931 -19.4931 -12.7875 -12.7874 -11.3085 -11.3080 -11.2723 -11.2715 -10.9856 -10.9854 -6.1185 -6.1136 -4.2338 -4.2252 -4.0925 -4.0893 -0.9185 -0.9182 1.0960 1.0971 1.2019 1.2049 1.3394 1.3419 2.8156 2.8164 3.6864 3.6894 3.7310 3.7363 4.0137 4.0192 4.1877 4.1931 4.9016 4.9035 5.0296 5.0307 5.5166 5.5169 11.1914 11.1920 12.8588 12.8683 13.0302 13.0417 13.6107 13.6209 k = 0.5000-0.2834-0.1983 ( 7962 PWs) bands (ev): -91.0901 -91.0901 -19.4931 -19.4931 -12.7872 -12.7872 -11.3086 -11.3086 -11.2721 -11.2721 -10.9856 -10.9856 -6.1160 -6.1160 -4.2296 -4.2296 -4.0908 -4.0908 -0.9167 -0.9167 1.0973 1.0973 1.2044 1.2044 1.3415 1.3415 2.8125 2.8125 3.6926 3.6926 3.7357 3.7357 4.0126 4.0126 4.1882 4.1882 4.9014 4.9014 5.0289 5.0289 5.5165 5.5165 11.1904 11.1904 12.8651 12.8651 13.0354 13.0354 13.6183 13.6183 k = 0.5000-0.2834 0.4083 ( 7978 PWs) bands (ev): -91.0901 -91.0901 -19.4863 -19.4863 -12.5421 -12.5421 -11.7876 -11.7876 -11.1355 -11.1355 -11.0415 -11.0415 -6.0511 -6.0511 -4.1238 -4.1238 -4.0430 -4.0430 -0.4374 -0.4374 0.1919 0.1919 1.6656 1.6656 1.7683 1.7683 3.1661 3.1661 3.2532 3.2532 3.5590 3.5590 3.7171 3.7171 4.1132 4.1132 4.7253 4.7253 5.2554 5.2554 5.4091 5.4091 11.7825 11.7825 12.0839 12.0839 12.8255 12.8255 12.9438 12.9438 k = 0.4886-0.2770 0.3991 ( 7976 PWs) bands (ev): -91.0901 -91.0901 -19.4864 -19.4864 -12.5432 -12.5430 -11.7863 -11.7861 -11.1357 -11.1350 -11.0418 -11.0410 -6.0522 -6.0504 -4.1245 -4.1233 -4.0444 -4.0422 -0.4418 -0.4407 0.1945 0.1951 1.6640 1.6651 1.7667 1.7673 3.1651 3.1683 3.2529 3.2545 3.5570 3.5621 3.7144 3.7223 4.1093 4.1137 4.7273 4.7288 5.2553 5.2560 5.4090 5.4099 11.7759 11.7790 12.0885 12.0937 12.8242 12.8269 12.9420 12.9438 k = 0.4773-0.2705 0.3898 ( 7979 PWs) bands (ev): -91.0901 -91.0901 -19.4865 -19.4865 -12.5464 -12.5460 -11.7824 -11.7818 -11.1357 -11.1342 -11.0417 -11.0402 -6.0537 -6.0500 -4.1255 -4.1230 -4.0465 -4.0420 -0.4537 -0.4514 0.2027 0.2038 1.6603 1.6624 1.7627 1.7639 3.1653 3.1717 3.2536 3.2566 3.5561 3.5662 3.7142 3.7299 4.1023 4.1111 4.7347 4.7376 5.2558 5.2572 5.4096 5.4114 11.7608 11.7664 12.1065 12.1162 12.8231 12.8285 12.9385 12.9422 k = 0.4659-0.2641 0.3805 ( 7982 PWs) bands (ev): -91.0901 -91.0901 -19.4867 -19.4867 -12.5515 -12.5509 -11.7758 -11.7750 -11.1353 -11.1331 -11.0414 -11.0391 -6.0555 -6.0499 -4.1266 -4.1230 -4.0491 -4.0424 -0.4724 -0.4691 0.2159 0.2175 1.6544 1.6576 1.7563 1.7581 3.1666 3.1762 3.2554 3.2596 3.5562 3.5709 3.7167 3.7399 4.0926 4.1058 4.7472 4.7512 5.2569 5.2589 5.4109 5.4136 11.7404 11.7476 12.1347 12.1481 12.8221 12.8302 12.9333 12.9392 k = 0.4545-0.2577 0.3712 ( 7978 PWs) bands (ev): -91.0901 -91.0901 -19.4870 -19.4870 -12.5584 -12.5577 -11.7668 -11.7658 -11.1347 -11.1317 -11.0408 -11.0377 -6.0576 -6.0502 -4.1279 -4.1231 -4.0523 -4.0433 -0.4969 -0.4927 0.2332 0.2352 1.6464 1.6506 1.7475 1.7499 3.1691 3.1818 3.2585 3.2636 3.5571 3.5757 3.7220 3.7521 4.0811 4.0984 4.7641 4.7691 5.2585 5.2612 5.4130 5.4165 11.7174 11.7254 12.1700 12.1866 12.8213 12.8321 12.9265 12.9350 k = 0.4432-0.2512 0.3619 ( 7974 PWs) bands (ev): -91.0901 -91.0901 -19.4873 -19.4873 -12.5669 -12.5661 -11.7555 -11.7543 -11.1338 -11.1301 -11.0399 -11.0361 -6.0601 -6.0508 -4.1294 -4.1235 -4.0561 -4.0449 -0.5263 -0.5213 0.2536 0.2560 1.6363 1.6415 1.7365 1.7395 3.1725 3.1882 3.2630 3.2687 3.5584 3.5800 3.7304 3.7665 4.0686 4.0900 4.7848 4.7906 5.2608 5.2641 5.4158 5.4201 11.6938 11.7022 12.2099 12.2294 12.8206 12.8340 12.9182 12.9299 k = 0.4318-0.2448 0.3527 ( 7969 PWs) bands (ev): -91.0901 -91.0901 -19.4878 -19.4877 -12.5769 -12.5759 -11.7421 -11.7408 -11.1327 -11.1283 -11.0387 -11.0341 -6.0628 -6.0517 -4.1311 -4.1241 -4.0604 -4.0469 -0.5597 -0.5539 0.2764 0.2791 1.6241 1.6302 1.7233 1.7270 3.1766 3.1951 3.2693 3.2752 3.5597 3.5830 3.7419 3.7831 4.0559 4.0814 4.8086 4.8150 5.2637 5.2676 5.4195 5.4245 11.6706 11.6792 12.2525 12.2750 12.8199 12.8359 12.9087 12.9246 k = 0.4205-0.2383 0.3434 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4882 -19.4882 -12.5881 -12.5869 -11.7271 -11.7255 -11.1313 -11.1262 -11.0371 -11.0319 -6.0659 -6.0529 -4.1329 -4.1250 -4.0652 -4.0494 -0.5961 -0.5898 0.3007 0.3037 1.6099 1.6169 1.7081 1.7126 3.1809 3.2022 3.2775 3.2837 3.5603 3.5843 3.7566 3.8016 4.0441 4.0734 4.8348 4.8417 5.2673 5.2717 5.4239 5.4297 11.6486 11.6574 12.2965 12.3220 12.8191 12.8375 12.8982 12.9198 k = 0.4091-0.2319 0.3341 ( 7965 PWs) bands (ev): -91.0901 -91.0901 -19.4888 -19.4888 -12.6002 -12.5990 -11.7105 -11.7088 -11.1296 -11.1239 -11.0352 -11.0293 -6.0692 -6.0544 -4.1349 -4.1262 -4.0704 -4.0524 -0.6351 -0.6282 0.3259 0.3292 1.5937 1.6015 1.6910 1.6964 3.1851 3.2087 3.2881 3.2947 3.5597 3.5832 3.7744 3.8221 4.0340 4.0670 4.8629 4.8701 5.2716 5.2765 5.4293 5.4358 11.6283 11.6371 12.3407 12.3694 12.8177 12.8382 12.8874 12.9166 k = 0.3977-0.2255 0.3248 ( 7967 PWs) bands (ev): -91.0901 -91.0901 -19.4895 -19.4895 -12.6131 -12.6118 -11.6926 -11.6908 -11.1277 -11.1214 -11.0329 -11.0264 -6.0728 -6.0562 -4.1370 -4.1276 -4.0760 -4.0558 -0.6759 -0.6686 0.3516 0.3552 1.5755 1.5842 1.6721 1.6787 3.1888 3.2139 3.3018 3.3085 3.5574 3.5795 3.7952 3.8443 4.0264 4.0627 4.8922 4.8997 5.2768 5.2821 5.4355 5.4427 11.6098 11.6186 12.3838 12.4160 12.8151 12.8372 12.8773 12.9160 k = 0.3864-0.2190 0.3155 ( 7969 PWs) bands (ev): -91.0901 -91.0901 -19.4902 -19.4902 -12.6266 -12.6252 -11.6738 -11.6719 -11.1256 -11.1188 -11.0302 -11.0232 -6.0766 -6.0583 -4.1393 -4.1293 -4.0819 -4.0595 -0.7182 -0.7104 0.3774 0.3813 1.5554 1.5652 1.6515 1.6595 3.1915 3.2175 3.3186 3.3255 3.5531 3.5731 3.8184 3.8680 4.0218 4.0610 4.9224 4.9301 5.2827 5.2885 5.4428 5.4506 11.5932 11.6020 12.4250 12.4607 12.8105 12.8332 12.8702 12.9186 k = 0.3750-0.2126 0.3063 ( 7969 PWs) bands (ev): -91.0901 -91.0901 -19.4909 -19.4909 -12.6405 -12.6391 -11.6541 -11.6522 -11.1233 -11.1160 -11.0271 -11.0197 -6.0806 -6.0605 -4.1417 -4.1312 -4.0880 -4.0635 -0.7615 -0.7534 0.4031 0.4072 1.5336 1.5444 1.6295 1.6389 3.1930 3.2193 3.3387 3.3457 3.5466 3.5640 3.8439 3.8932 4.0207 4.0621 4.9529 4.9608 5.2896 5.2957 5.4511 5.4594 11.5783 11.5873 12.4631 12.5022 12.8034 12.8250 12.8680 12.9243 k = 0.3636-0.2061 0.2970 ( 7970 PWs) bands (ev): -91.0901 -91.0901 -19.4917 -19.4917 -12.6546 -12.6531 -11.6340 -11.6320 -11.1208 -11.1131 -11.0236 -11.0157 -6.0848 -6.0630 -4.1442 -4.1336 -4.0943 -4.0678 -0.8055 -0.7971 0.4284 0.4329 1.5101 1.5221 1.6061 1.6172 3.1932 3.2192 3.3618 3.3690 3.5379 3.5527 3.8712 3.9195 4.0231 4.0661 4.9834 4.9915 5.2974 5.3039 5.4606 5.4693 11.5651 11.5742 12.4974 12.5392 12.7941 12.8133 12.8702 12.9319 k = 0.3523-0.1997 0.2877 ( 7969 PWs) bands (ev): -91.0901 -91.0901 -19.4926 -19.4926 -12.6688 -12.6673 -11.6135 -11.6115 -11.1182 -11.1102 -11.0196 -11.0115 -6.0891 -6.0657 -4.1468 -4.1362 -4.1006 -4.0722 -0.8499 -0.8414 0.4532 0.4581 1.4851 1.4984 1.5815 1.5945 3.1920 3.2174 3.3872 3.3949 3.5275 3.5397 3.9000 3.9468 4.0292 4.0729 5.0135 5.0220 5.3063 5.3130 5.4713 5.4804 11.5531 11.5626 12.5271 12.5708 12.7828 12.8002 12.8748 12.9397 k = 0.3409-0.1932 0.2784 ( 7963 PWs) bands (ev): -91.0901 -91.0901 -19.4935 -19.4935 -12.6830 -12.6815 -11.5928 -11.5908 -11.1154 -11.1073 -11.0151 -11.0068 -6.0936 -6.0686 -4.1495 -4.1393 -4.1069 -4.0768 -0.8946 -0.8860 0.4775 0.4828 1.4588 1.4735 1.5559 1.5707 3.1893 3.2139 3.4139 3.4227 3.5167 3.5259 3.9299 3.9746 4.0387 4.0823 5.0430 5.0518 5.3162 5.3232 5.4833 5.4926 11.5420 11.5519 12.5517 12.5961 12.7699 12.7869 12.8793 12.9448 k = 0.3295-0.1868 0.2691 ( 7973 PWs) bands (ev): -91.0901 -91.0901 -19.4945 -19.4945 -12.6971 -12.6955 -11.5722 -11.5701 -11.1126 -11.1043 -11.0101 -11.0017 -6.0981 -6.0716 -4.1523 -4.1428 -4.1129 -4.0815 -0.9393 -0.9306 0.5013 0.5070 1.4314 1.4475 1.5295 1.5462 3.1852 3.2087 3.4382 3.4490 3.5093 3.5147 3.9604 4.0025 4.0514 4.0940 5.0716 5.0807 5.3273 5.3346 5.4967 5.5061 11.5313 11.5416 12.5710 12.6149 12.7558 12.7746 12.8810 12.9440 k = 0.3182-0.1804 0.2599 ( 7971 PWs) bands (ev): -91.0901 -91.0901 -19.4955 -19.4955 -12.7109 -12.7093 -11.5517 -11.5497 -11.1097 -11.1014 -11.0046 -10.9962 -6.1027 -6.0747 -4.1552 -4.1467 -4.1187 -4.0861 -0.9839 -0.9752 0.5244 0.5306 1.4031 1.4207 1.5023 1.5208 3.1797 3.2021 3.4497 3.4620 3.5157 3.5184 3.9914 4.0299 4.0675 4.1076 5.0989 5.1086 5.3396 5.3471 5.5115 5.5210 11.5202 11.5312 12.5848 12.6275 12.7411 12.7637 12.8775 12.9346 k = 0.3068-0.1739 0.2506 ( 7967 PWs) bands (ev): -91.0901 -91.0901 -19.4966 -19.4966 -12.7244 -12.7229 -11.5315 -11.5295 -11.1067 -11.0985 -10.9986 -10.9902 -6.1072 -6.0779 -4.1582 -4.1510 -4.1242 -4.0908 -1.0282 -1.0196 0.5470 0.5537 1.3740 1.3931 1.4746 1.4949 3.1727 3.1939 3.4432 3.4536 3.5407 3.5453 4.0225 4.0559 4.0873 4.1229 5.1250 5.1352 5.3530 5.3607 5.5277 5.5372 11.5081 11.5198 12.5928 12.6341 12.7266 12.7545 12.8672 12.9157 k = 0.2955-0.1675 0.2413 ( 7963 PWs) bands (ev): -91.0901 -91.0901 -19.4977 -19.4977 -12.7375 -12.7360 -11.5118 -11.5099 -11.1038 -11.0957 -10.9921 -10.9839 -6.1118 -6.0813 -4.1615 -4.1555 -4.1293 -4.0953 -1.0721 -1.0636 0.5691 0.5763 1.3443 1.3649 1.4464 1.4684 3.1644 3.1844 3.4286 3.4370 3.5754 3.5814 4.0533 4.0798 4.1107 4.1396 5.1497 5.1605 5.3677 5.3756 5.5455 5.5549 11.4940 11.5065 12.5946 12.6348 12.7136 12.7466 12.8504 12.8891 k = 0.2841-0.1610 0.2320 ( 7963 PWs) bands (ev): -91.0901 -91.0901 -19.4988 -19.4988 -12.7502 -12.7487 -11.4927 -11.4907 -11.1008 -11.0930 -10.9851 -10.9772 -6.1163 -6.0846 -4.1653 -4.1598 -4.1340 -4.0998 -1.1154 -1.1072 0.5906 0.5985 1.3143 1.3363 1.4181 1.4415 3.1548 3.1736 3.4112 3.4181 3.6142 3.6212 4.0833 4.1022 4.1369 4.1576 5.1730 5.1842 5.3835 5.3915 5.5647 5.5739 11.4770 11.4903 12.5901 12.6298 12.7035 12.7400 12.8284 12.8597 k = 0.2727-0.1546 0.2227 ( 7961 PWs) bands (ev): -91.0901 -91.0901 -19.4999 -19.4999 -12.7625 -12.7610 -11.4741 -11.4723 -11.0979 -11.0905 -10.9777 -10.9700 -6.1207 -6.0880 -4.1698 -4.1636 -4.1384 -4.1042 -1.1581 -1.1501 0.6116 0.6201 1.2842 1.3074 1.3896 1.4143 3.1440 3.1616 3.3926 3.3983 3.6553 3.6631 4.1119 4.1242 4.1644 4.1766 5.1949 5.2066 5.4004 5.4084 5.5854 5.5942 11.4562 11.4703 12.5796 12.6199 12.6961 12.7341 12.8026 12.8338 k = 0.2614-0.1482 0.2135 ( 7960 PWs) bands (ev): -91.0901 -91.0901 -19.5010 -19.5010 -12.7742 -12.7727 -11.4563 -11.4545 -11.0951 -11.0880 -10.9699 -10.9626 -6.1250 -6.0914 -4.1748 -4.1669 -4.1425 -4.1084 -1.2001 -1.1924 0.6322 0.6413 1.2540 1.2784 1.3612 1.3870 3.1322 3.1486 3.3733 3.3781 3.6980 3.7065 4.1376 4.1475 4.1920 4.1968 5.2156 5.2275 5.4183 5.4263 5.6073 5.6158 11.4306 11.4455 12.5648 12.6069 12.6895 12.7291 12.7762 12.8147 k = 0.2500-0.1417 0.2042 ( 7958 PWs) bands (ev): -91.0901 -91.0901 -19.5022 -19.5022 -12.7854 -12.7840 -11.4392 -11.4375 -11.0924 -11.0857 -10.9617 -10.9547 -6.1291 -6.0948 -4.1800 -4.1698 -4.1465 -4.1125 -1.2412 -1.2338 0.6524 0.6622 1.2241 1.2493 1.3330 1.3596 3.1196 3.1348 3.3537 3.3578 3.7419 3.7510 4.1600 4.1722 4.2166 4.2206 5.2350 5.2472 5.4370 5.4450 5.6303 5.6385 11.3996 11.4152 12.5481 12.5927 12.6813 12.7258 12.7530 12.8021 k = 0.2386-0.1353 0.1949 ( 7952 PWs) bands (ev): -91.0901 -91.0901 -19.5033 -19.5033 -12.7961 -12.7946 -11.4230 -11.4213 -11.0897 -11.0835 -10.9532 -10.9467 -6.1330 -6.0982 -4.1852 -4.1726 -4.1503 -4.1164 -1.2813 -1.2744 0.6721 0.6826 1.1945 1.2204 1.3052 1.3324 3.1064 3.1205 3.3337 3.3374 3.7865 3.7961 4.1808 4.1966 4.2386 4.2473 5.2535 5.2656 5.4565 5.4644 5.6543 5.6620 11.3629 11.3790 12.5324 12.5788 12.6712 12.7238 12.7354 12.7947 k = 0.2273-0.1288 0.1856 ( 7951 PWs) bands (ev): -91.0901 -91.0901 -19.5045 -19.5045 -12.8061 -12.8047 -11.4076 -11.4060 -11.0872 -11.0814 -10.9444 -10.9384 -6.1368 -6.1016 -4.1902 -4.1752 -4.1539 -4.1202 -1.3204 -1.3139 0.6914 0.7027 1.1654 1.1918 1.2779 1.3054 3.0926 3.1057 3.3137 3.3169 3.8315 3.8417 4.2008 4.2194 4.2610 4.2735 5.2710 5.2831 5.4767 5.4844 5.6791 5.6863 11.3204 11.3367 12.5197 12.5669 12.6607 12.7161 12.7293 12.7908 k = 0.2159-0.1224 0.1763 ( 7943 PWs) bands (ev): -91.0901 -91.0901 -19.5056 -19.5056 -12.8156 -12.8143 -11.3930 -11.3915 -11.0848 -11.0794 -10.9355 -10.9299 -6.1402 -6.1049 -4.1948 -4.1776 -4.1573 -4.1239 -1.3584 -1.3523 0.7103 0.7223 1.1369 1.1635 1.2512 1.2788 3.0786 3.0907 3.2935 3.2965 3.8766 3.8873 4.2201 4.2407 4.2836 4.2987 5.2877 5.2996 5.4974 5.5049 5.7043 5.7111 11.2726 11.2888 12.5114 12.5584 12.6510 12.7051 12.7309 12.7893 k = 0.2045-0.1159 0.1671 ( 7942 PWs) bands (ev): -91.0901 -91.0901 -19.5068 -19.5068 -12.8245 -12.8232 -11.3794 -11.3779 -11.0825 -11.0776 -10.9266 -10.9213 -6.1435 -6.1082 -4.1991 -4.1799 -4.1606 -4.1275 -1.3952 -1.3895 0.7287 0.7416 1.1092 1.1359 1.2253 1.2527 3.0645 3.0756 3.2732 3.2762 3.9214 3.9327 4.2387 4.2604 4.3062 4.3229 5.3036 5.3152 5.5185 5.5258 5.7298 5.7361 11.2201 11.2361 12.5078 12.5540 12.6428 12.6957 12.7341 12.7895 k = 0.1932-0.1095 0.1578 ( 7944 PWs) bands (ev): -91.0901 -91.0901 -19.5079 -19.5079 -12.8329 -12.8316 -11.3665 -11.3651 -11.0804 -11.0759 -10.9176 -10.9127 -6.1464 -6.1114 -4.2030 -4.1820 -4.1638 -4.1309 -1.4307 -1.4255 0.7466 0.7604 1.0825 1.1088 1.2003 1.2273 3.0505 3.0608 3.2529 3.2559 3.9658 3.9775 4.2567 4.2787 4.3282 4.3458 5.3189 5.3301 5.5399 5.5470 5.7553 5.7612 11.1638 11.1794 12.5089 12.5538 12.6362 12.6882 12.7380 12.7907 k = 0.1818-0.1031 0.1485 ( 7937 PWs) bands (ev): -91.0901 -91.0901 -19.5090 -19.5089 -12.8406 -12.8394 -11.3546 -11.3533 -11.0784 -11.0743 -10.9087 -10.9042 -6.1491 -6.1145 -4.2064 -4.1839 -4.1668 -4.1343 -1.4648 -1.4600 0.7640 0.7788 1.0568 1.0826 1.1764 1.2026 3.0368 3.0462 3.2327 3.2357 4.0093 4.0215 4.2739 4.2959 4.3495 4.3675 5.3335 5.3442 5.5615 5.5684 5.7807 5.7861 11.1050 11.1200 12.5142 12.5575 12.6311 12.6823 12.7423 12.7927 k = 0.1705-0.0966 0.1392 ( 7935 PWs) bands (ev): -91.0901 -91.0901 -19.5100 -19.5100 -12.8478 -12.8467 -11.3435 -11.3422 -11.0766 -11.0728 -10.8999 -10.8958 -6.1515 -6.1175 -4.2093 -4.1856 -4.1697 -4.1376 -1.4974 -1.4931 0.7806 0.7965 1.0323 1.0573 1.1536 1.1789 3.0234 3.0322 3.2127 3.2156 4.0516 4.0643 4.2902 4.3120 4.3698 4.3878 5.3474 5.3576 5.5832 5.5898 5.8056 5.8107 11.0445 11.0589 12.5227 12.5644 12.6275 12.6780 12.7470 12.7952 k = 0.1591-0.0902 0.1299 ( 7937 PWs) bands (ev): -91.0901 -91.0901 -19.5110 -19.5110 -12.8545 -12.8533 -11.3332 -11.3321 -11.0749 -11.0715 -10.8914 -10.8876 -6.1535 -6.1205 -4.2118 -4.1871 -4.1724 -4.1408 -1.5285 -1.5245 0.7964 0.8136 1.0091 1.0331 1.1321 1.1562 3.0107 3.0187 3.1929 3.1958 4.0925 4.1056 4.3057 4.3271 4.3890 4.4069 5.3606 5.3702 5.6048 5.6111 5.8300 5.8346 10.9836 10.9972 12.5339 12.5737 12.6253 12.6752 12.7520 12.7982 k = 0.1477-0.0837 0.1206 ( 7942 PWs) bands (ev): -91.0901 -91.0901 -19.5120 -19.5120 -12.8605 -12.8595 -11.3238 -11.3227 -11.0733 -11.0702 -10.8831 -10.8797 -6.1552 -6.1234 -4.2137 -4.1884 -4.1750 -4.1440 -1.5579 -1.5543 0.8112 0.8299 0.9875 1.0101 1.1119 1.1346 2.9986 3.0060 3.1735 3.1763 4.1316 4.1452 4.3203 4.3411 4.4071 4.4247 5.3732 5.3822 5.6261 5.6320 5.8535 5.8578 10.9232 10.9359 12.5467 12.5846 12.6245 12.6737 12.7572 12.8014 k = 0.1364-0.0773 0.1114 ( 7934 PWs) bands (ev): -91.0901 -91.0901 -19.5129 -19.5129 -12.8661 -12.8651 -11.3151 -11.3141 -11.0719 -11.0691 -10.8753 -10.8721 -6.1567 -6.1262 -4.2152 -4.1895 -4.1775 -4.1471 -1.5856 -1.5823 0.8248 0.8452 0.9676 0.9886 1.0933 1.1144 2.9873 2.9941 3.1545 3.1572 4.1687 4.1827 4.3340 4.3542 4.4242 4.4413 5.3850 5.3934 5.6469 5.6526 5.8761 5.8801 10.8641 10.8760 12.5605 12.5962 12.6250 12.6734 12.7626 12.8048 k = 0.1250-0.0709 0.1021 ( 7929 PWs) bands (ev): -91.0901 -91.0901 -19.5138 -19.5138 -12.8711 -12.8702 -11.3072 -11.3063 -11.0706 -11.0681 -10.8678 -10.8649 -6.1578 -6.1289 -4.2162 -4.1904 -4.1798 -4.1502 -1.6114 -1.6085 0.8368 0.8593 0.9497 0.9687 1.0762 1.0957 2.9769 2.9832 3.1362 3.1387 4.2033 4.2177 4.3468 4.3663 4.4402 4.4566 5.3961 5.4038 5.6671 5.6724 5.8976 5.9012 10.8072 10.8182 12.5746 12.6075 12.6271 12.6742 12.7683 12.8083 k = 0.1136-0.0644 0.0928 ( 7920 PWs) bands (ev): -91.0901 -91.0901 -19.5146 -19.5146 -12.8756 -12.8748 -11.3001 -11.2992 -11.0695 -11.0671 -10.8608 -10.8582 -6.1586 -6.1315 -4.2167 -4.1911 -4.1819 -4.1533 -1.6354 -1.6327 0.8466 0.8714 0.9343 0.9510 1.0608 1.0787 2.9674 2.9732 3.1185 3.1209 4.2352 4.2500 4.3588 4.3775 4.4551 4.4708 5.4064 5.4134 5.6865 5.6914 5.9178 5.9210 10.7531 10.7632 12.5883 12.6173 12.6314 12.6760 12.7741 12.8118 k = 0.1023-0.0580 0.0835 ( 7917 PWs) bands (ev): -91.0901 -91.0901 -19.5153 -19.5153 -12.8797 -12.8789 -11.2937 -11.2928 -11.0684 -11.0663 -10.8543 -10.8520 -6.1591 -6.1341 -4.2168 -4.1917 -4.1838 -4.1563 -1.6573 -1.6550 0.8535 0.8806 0.9225 0.9361 1.0473 1.0635 2.9590 2.9642 3.1017 3.1039 4.2642 4.2792 4.3701 4.3878 4.4691 4.4839 5.4159 5.4222 5.7048 5.7093 5.9365 5.9394 10.7026 10.7117 12.6011 12.6245 12.6384 12.6785 12.7801 12.8152 k = 0.0909-0.0515 0.0742 ( 7910 PWs) bands (ev): -91.0901 -91.0901 -19.5160 -19.5160 -12.8832 -12.8825 -11.2880 -11.2872 -11.0675 -11.0656 -10.8484 -10.8463 -6.1593 -6.1365 -4.2165 -4.1924 -4.1853 -4.1592 -1.6772 -1.6751 0.8566 0.8838 0.9163 0.9255 1.0356 1.0504 2.9516 2.9563 3.0859 3.0879 4.2901 4.3049 4.3806 4.3972 4.4822 4.4959 5.4245 5.4301 5.7219 5.7260 5.9537 5.9563 10.6560 10.6642 12.6126 12.6299 12.6468 12.6817 12.7862 12.8184 k = 0.0795-0.0451 0.0650 ( 7908 PWs) bands (ev): -91.0901 -91.0901 -19.5166 -19.5166 -12.8863 -12.8857 -11.2830 -11.2823 -11.0667 -11.0650 -10.8431 -10.8413 -6.1593 -6.1389 -4.2158 -4.1932 -4.1864 -4.1621 -1.6949 -1.6930 0.8554 0.8794 0.9156 0.9212 1.0259 1.0395 2.9453 2.9495 3.0714 3.0731 4.3126 4.3269 4.3906 4.4057 4.4943 4.5068 5.4322 5.4371 5.7375 5.7412 5.9692 5.9715 10.6139 10.6211 12.6226 12.6351 12.6550 12.6850 12.7922 12.8213 k = 0.0682-0.0386 0.0557 ( 7909 PWs) bands (ev): -91.0901 -91.0901 -19.5171 -19.5171 -12.8889 -12.8884 -11.2787 -11.2781 -11.0660 -11.0646 -10.8384 -10.8368 -6.1590 -6.1412 -4.2149 -4.1944 -4.1867 -4.1650 -1.7104 -1.7088 0.8514 0.8710 0.9157 0.9229 1.0184 1.0309 2.9400 2.9437 3.0582 3.0596 4.3317 4.3449 4.4000 4.4134 4.5055 4.5166 5.4390 5.4432 5.7515 5.7547 5.9829 5.9848 10.5767 10.5829 12.6307 12.6405 12.6624 12.6883 12.7981 12.8238 k = 0.0568-0.0322 0.0464 ( 7908 PWs) bands (ev): -91.0901 -91.0901 -19.5176 -19.5176 -12.8912 -12.8907 -11.2750 -11.2745 -11.0654 -11.0642 -10.8344 -10.8331 -6.1585 -6.1434 -4.2137 -4.1959 -4.1865 -4.1677 -1.7236 -1.7222 0.8462 0.8619 0.9164 0.9257 1.0131 1.0243 2.9359 2.9390 3.0465 3.0477 4.3474 4.3590 4.4089 4.4201 4.5156 4.5251 5.4448 5.4483 5.7637 5.7664 5.9947 5.9963 10.5448 10.5499 12.6372 12.6457 12.6691 12.6910 12.8038 12.8257 k = 0.0455-0.0258 0.0371 ( 7908 PWs) bands (ev): -91.0901 -91.0901 -19.5180 -19.5180 -12.8929 -12.8926 -11.2720 -11.2716 -11.0649 -11.0639 -10.8310 -10.8300 -6.1577 -6.1455 -4.2122 -4.1977 -4.1858 -4.1704 -1.7344 -1.7333 0.8412 0.8534 0.9176 0.9272 1.0100 1.0197 2.9327 2.9353 3.0366 3.0376 4.3600 4.3695 4.4169 4.4258 4.5245 4.5322 5.4497 5.4525 5.7740 5.7762 6.0044 6.0057 10.5183 10.5225 12.6425 12.6502 12.6750 12.6930 12.8092 12.8270 k = 0.0341-0.0193 0.0278 ( 7903 PWs) bands (ev): -91.0901 -91.0901 -19.5183 -19.5183 -12.8943 -12.8940 -11.2697 -11.2694 -11.0644 -11.0637 -10.8284 -10.8276 -6.1567 -6.1474 -4.2106 -4.1995 -4.1847 -4.1730 -1.7429 -1.7420 0.8372 0.8462 0.9189 0.9273 1.0087 1.0164 2.9305 2.9325 3.0286 3.0293 4.3696 4.3767 4.4238 4.4303 4.5319 4.5378 5.4536 5.4557 5.7822 5.7838 6.0122 6.0131 10.4976 10.5007 12.6470 12.6535 12.6801 12.6941 12.8140 12.8276 k = 0.0227-0.0129 0.0186 ( 7909 PWs) bands (ev): -91.0901 -91.0901 -19.5185 -19.5185 -12.8952 -12.8951 -11.2680 -11.2678 -11.0641 -11.0636 -10.8264 -10.8259 -6.1556 -6.1493 -4.2089 -4.2014 -4.1833 -4.1754 -1.7489 -1.7483 0.8346 0.8405 0.9203 0.9264 1.0088 1.0140 2.9291 2.9305 3.0228 3.0233 4.3765 4.3812 4.4292 4.4334 4.5377 4.5417 5.4565 5.4579 5.7882 5.7893 6.0178 6.0184 10.4829 10.4849 12.6507 12.6554 12.6846 12.6941 12.8183 12.8274 k = 0.0114-0.0064 0.0093 ( 7911 PWs) bands (ev): -91.0901 -91.0901 -19.5186 -19.5186 -12.8958 -12.8957 -11.2670 -11.2669 -11.0638 -11.0636 -10.8252 -10.8250 -6.1542 -6.1511 -4.2071 -4.2033 -4.1817 -4.1777 -1.7525 -1.7522 0.8335 0.8365 0.9217 0.9249 1.0096 1.0122 2.9285 2.9291 3.0193 3.0195 4.3810 4.3833 4.4329 4.4349 4.5417 4.5437 5.4584 5.4591 5.7920 5.7925 6.0212 6.0215 10.4741 10.4752 12.6535 12.6560 12.6883 12.6932 12.8218 12.8264 k = 0.0000 0.0000 0.0000 ( 7917 PWs) bands (ev): -91.0901 -91.0901 -19.5186 -19.5186 -12.8960 -12.8960 -11.2666 -11.2666 -11.0637 -11.0637 -10.8247 -10.8247 -6.1527 -6.1527 -4.2052 -4.2052 -4.1798 -4.1798 -1.7536 -1.7536 0.8341 0.8341 0.9233 0.9233 1.0108 1.0108 2.9285 2.9285 3.0182 3.0182 4.3832 4.3832 4.4348 4.4348 4.5437 4.5437 5.4592 5.4592 5.7934 5.7934 6.0225 6.0225 10.4716 10.4716 12.6553 12.6553 12.6912 12.6912 12.8245 12.8245 Writing output data file BaBeSiO4.save init_run : 2.68s CPU 1.93s WALL ( 1 calls) electrons : 505.90s CPU 360.92s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.01s WALL ( 1 calls) potinit : 0.12s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 505.88s CPU 360.90s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.03s WALL ( 1 calls) newd : 0.63s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.70s CPU 0.70s WALL ( 329 calls) cegterg : 449.37s CPU 328.20s WALL ( 594 calls) Called by sum_band: Called by *egterg: h_psi : 359.12s CPU 230.94s WALL ( 9340 calls) s_psi : 12.15s CPU 9.40s WALL ( 9340 calls) g_psi : 0.68s CPU 0.61s WALL ( 8417 calls) cdiaghg : 77.07s CPU 70.75s WALL ( 8746 calls) cegterg:over : 16.76s CPU 14.63s WALL ( 8417 calls) cegterg:upda : 15.80s CPU 14.09s WALL ( 8417 calls) cegterg:last : 7.16s CPU 7.10s WALL ( 1795 calls) cdiaghg:chol : 4.60s CPU 4.14s WALL ( 8746 calls) cdiaghg:inve : 2.86s CPU 2.63s WALL ( 8746 calls) cdiaghg:para : 4.42s CPU 4.13s WALL ( 17492 calls) Called by h_psi: h_psi:vloc : 329.81s CPU 207.92s WALL ( 9340 calls) h_psi:vnl : 28.58s CPU 22.40s WALL ( 9340 calls) add_vuspsi : 14.52s CPU 11.16s WALL ( 9340 calls) General routines calbec : 13.98s CPU 11.20s WALL ( 9340 calls) fft : 0.07s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 301.45s CPU 185.05s WALL ( 1035676 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.36s CPU 1.53s WALL ( 658 calls) Parallel routines fft_scatter : 97.85s CPU 73.58s WALL ( 1035699 calls) PWSCF : 8m52.79s CPU 6m50.01s WALL This run was terminated on: 2: 8:14 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=