Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:39:26 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Na2H4Pt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 86 53 15 2694 1295 198 Max 87 54 16 2698 1324 200 Sum 3113 1929 551 97055 47201 7141 bravais-lattice index = 14 lattice parameter (alat) = 9.5289 a.u. unit-cell volume = 637.0721 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.528937 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.453036 celldm(5)= -0.453036 celldm(6)= -0.093929 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.093929 0.995579 0.000000 ) a(3) = ( -0.453036 -0.497789 0.739570 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.094346 0.676068 ) b(2) = ( 0.000000 1.004441 0.676068 ) b(3) = ( 0.000000 0.000000 1.352136 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 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 H 1.00 1.00790 H( 1.00) Na 9.00 22.98980 Na( 1.00) Pt 10.00 195.08400 Pt( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 335 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0000000 0.0000000 0.0157225), wk = 0.0029851 k( 3) = ( 0.0000000 0.0000000 0.0314450), wk = 0.0029851 k( 4) = ( 0.0000000 0.0000000 0.0471675), wk = 0.0029851 k( 5) = ( 0.0000000 0.0000000 0.0628901), wk = 0.0029851 k( 6) = ( 0.0000000 0.0000000 0.0786126), wk = 0.0029851 k( 7) = ( 0.0000000 0.0000000 0.0943351), wk = 0.0029851 k( 8) = ( 0.0000000 0.0000000 0.1100576), wk = 0.0029851 k( 9) = ( 0.0000000 0.0000000 0.1257801), wk = 0.0029851 k( 10) = ( 0.0000000 0.0000000 0.1415026), wk = 0.0029851 k( 11) = ( 0.0000000 0.0000000 0.1572252), wk = 0.0029851 k( 12) = ( 0.0000000 0.0000000 0.1729477), wk = 0.0029851 k( 13) = ( 0.0000000 0.0000000 0.1886702), wk = 0.0029851 k( 14) = ( 0.0000000 0.0000000 0.2043927), wk = 0.0029851 k( 15) = ( 0.0000000 0.0000000 0.2201152), wk = 0.0029851 k( 16) = ( 0.0000000 0.0000000 0.2358377), wk = 0.0029851 k( 17) = ( 0.0000000 0.0000000 0.2515603), wk = 0.0029851 k( 18) = ( 0.0000000 0.0000000 0.2672828), wk = 0.0029851 k( 19) = ( 0.0000000 0.0000000 0.2830053), wk = 0.0029851 k( 20) = ( 0.0000000 0.0000000 0.2987278), wk = 0.0029851 k( 21) = ( 0.0000000 0.0000000 0.3144503), wk = 0.0029851 k( 22) = ( 0.0000000 0.0000000 0.3301728), wk = 0.0029851 k( 23) = ( 0.0000000 0.0000000 0.3458954), wk = 0.0029851 k( 24) = ( 0.0000000 0.0000000 0.3616179), wk = 0.0029851 k( 25) = ( 0.0000000 0.0000000 0.3773404), wk = 0.0029851 k( 26) = ( 0.0000000 0.0000000 0.3930629), wk = 0.0029851 k( 27) = ( 0.0000000 0.0000000 0.4087854), wk = 0.0029851 k( 28) = ( 0.0000000 0.0000000 0.4245079), wk = 0.0029851 k( 29) = ( 0.0000000 0.0000000 0.4402305), wk = 0.0029851 k( 30) = ( 0.0000000 0.0000000 0.4559530), wk = 0.0029851 k( 31) = ( 0.0000000 0.0000000 0.4716755), wk = 0.0029851 k( 32) = ( 0.0000000 0.0000000 0.4873980), wk = 0.0029851 k( 33) = ( 0.0000000 0.0000000 0.5031205), wk = 0.0029851 k( 34) = ( 0.0000000 0.0000000 0.5188430), wk = 0.0029851 k( 35) = ( 0.0000000 0.0000000 0.5345656), wk = 0.0029851 k( 36) = ( 0.0000000 0.0000000 0.5502881), wk = 0.0029851 k( 37) = ( 0.0000000 0.0000000 0.5660106), wk = 0.0029851 k( 38) = ( 0.0000000 0.0000000 0.5817331), wk = 0.0029851 k( 39) = ( 0.0000000 0.0000000 0.5974556), wk = 0.0029851 k( 40) = ( 0.0000000 0.0000000 0.6131781), wk = 0.0029851 k( 41) = ( 0.0000000 0.0000000 0.6289007), wk = 0.0029851 k( 42) = ( 0.0000000 0.0000000 0.6446232), wk = 0.0029851 k( 43) = ( 0.0000000 0.0000000 0.6603457), wk = 0.0029851 k( 44) = ( 0.0000000 0.0000000 0.6760682), wk = 0.0029851 k( 45) = ( 0.0000000 0.0000000 0.6760682), wk = 0.0029851 k( 46) = ( -0.0116090 0.0105653 0.6760682), wk = 0.0029851 k( 47) = ( -0.0232179 0.0211305 0.6760682), wk = 0.0029851 k( 48) = ( -0.0348269 0.0316958 0.6760682), wk = 0.0029851 k( 49) = ( -0.0464358 0.0422610 0.6760682), wk = 0.0029851 k( 50) = ( -0.0580448 0.0528263 0.6760682), wk = 0.0029851 k( 51) = ( -0.0696538 0.0633915 0.6760682), wk = 0.0029851 k( 52) = ( -0.0812627 0.0739568 0.6760682), wk = 0.0029851 k( 53) = ( -0.0928717 0.0845220 0.6760682), wk = 0.0029851 k( 54) = ( -0.1044806 0.0950873 0.6760682), wk = 0.0029851 k( 55) = ( -0.1160896 0.1056525 0.6760682), wk = 0.0029851 k( 56) = ( -0.1276985 0.1162178 0.6760682), wk = 0.0029851 k( 57) = ( -0.1393075 0.1267831 0.6760682), wk = 0.0029851 k( 58) = ( -0.1509165 0.1373483 0.6760682), wk = 0.0029851 k( 59) = ( -0.1625254 0.1479136 0.6760682), wk = 0.0029851 k( 60) = ( -0.1741344 0.1584788 0.6760682), wk = 0.0029851 k( 61) = ( -0.1857433 0.1690441 0.6760682), wk = 0.0029851 k( 62) = ( -0.1973523 0.1796093 0.6760682), wk = 0.0029851 k( 63) = ( -0.2089612 0.1901746 0.6760682), wk = 0.0029851 k( 64) = ( -0.2205702 0.2007398 0.6760682), wk = 0.0029851 k( 65) = ( -0.2321792 0.2113051 0.6760682), wk = 0.0029851 k( 66) = ( -0.2437881 0.2218703 0.6760682), wk = 0.0029851 k( 67) = ( -0.2553971 0.2324356 0.6760682), wk = 0.0029851 k( 68) = ( -0.2670060 0.2430008 0.6760682), wk = 0.0029851 k( 69) = ( -0.2786150 0.2535661 0.6760682), wk = 0.0029851 k( 70) = ( -0.2902240 0.2641314 0.6760682), wk = 0.0029851 k( 71) = ( -0.3018329 0.2746966 0.6760682), wk = 0.0029851 k( 72) = ( -0.3018329 0.2746966 0.6760682), wk = 0.0029851 k( 73) = ( -0.3100899 0.2822112 0.6649037), wk = 0.0029851 k( 74) = ( -0.3183468 0.2897258 0.6537391), wk = 0.0029851 k( 75) = ( -0.3266038 0.2972405 0.6425746), wk = 0.0029851 k( 76) = ( -0.3348608 0.3047551 0.6314100), wk = 0.0029851 k( 77) = ( -0.3431177 0.3122697 0.6202455), wk = 0.0029851 k( 78) = ( -0.3513747 0.3197843 0.6090810), wk = 0.0029851 k( 79) = ( -0.3596316 0.3272989 0.5979164), wk = 0.0029851 k( 80) = ( -0.3678886 0.3348136 0.5867519), wk = 0.0029851 k( 81) = ( -0.3761456 0.3423282 0.5755873), wk = 0.0029851 k( 82) = ( -0.3844025 0.3498428 0.5644228), wk = 0.0029851 k( 83) = ( -0.3926595 0.3573574 0.5532583), wk = 0.0029851 k( 84) = ( -0.4009164 0.3648720 0.5420937), wk = 0.0029851 k( 85) = ( -0.4009164 0.3648720 0.5420937), wk = 0.0029851 k( 86) = ( -0.3925640 0.3572705 0.5308001), wk = 0.0029851 k( 87) = ( -0.3842116 0.3496690 0.5195065), wk = 0.0029851 k( 88) = ( -0.3758592 0.3420675 0.5082129), wk = 0.0029851 k( 89) = ( -0.3675067 0.3344660 0.4969193), wk = 0.0029851 k( 90) = ( -0.3591543 0.3268645 0.4856256), wk = 0.0029851 k( 91) = ( -0.3508019 0.3192630 0.4743320), wk = 0.0029851 k( 92) = ( -0.3424495 0.3116615 0.4630384), wk = 0.0029851 k( 93) = ( -0.3340971 0.3040600 0.4517448), wk = 0.0029851 k( 94) = ( -0.3257446 0.2964585 0.4404512), wk = 0.0029851 k( 95) = ( -0.3173922 0.2888570 0.4291575), wk = 0.0029851 k( 96) = ( -0.3090398 0.2812555 0.4178639), wk = 0.0029851 k( 97) = ( -0.3006873 0.2736540 0.4065703), wk = 0.0029851 k( 98) = ( -0.2923349 0.2660525 0.3952767), wk = 0.0029851 k( 99) = ( -0.2839825 0.2584510 0.3839831), wk = 0.0029851 k( 100) = ( -0.2756301 0.2508495 0.3726894), wk = 0.0029851 k( 101) = ( -0.2672776 0.2432480 0.3613958), wk = 0.0029851 k( 102) = ( -0.2589252 0.2356465 0.3501022), wk = 0.0029851 k( 103) = ( -0.2505728 0.2280450 0.3388086), wk = 0.0029851 k( 104) = ( -0.2422204 0.2204435 0.3275150), wk = 0.0029851 k( 105) = ( -0.2338679 0.2128420 0.3162213), wk = 0.0029851 k( 106) = ( -0.2255155 0.2052405 0.3049277), wk = 0.0029851 k( 107) = ( -0.2171631 0.1976390 0.2936341), wk = 0.0029851 k( 108) = ( -0.2088106 0.1900375 0.2823405), wk = 0.0029851 k( 109) = ( -0.2004582 0.1824360 0.2710469), wk = 0.0029851 k( 110) = ( -0.1921058 0.1748345 0.2597532), wk = 0.0029851 k( 111) = ( -0.1837534 0.1672330 0.2484596), wk = 0.0029851 k( 112) = ( -0.1754009 0.1596315 0.2371660), wk = 0.0029851 k( 113) = ( -0.1670485 0.1520300 0.2258724), wk = 0.0029851 k( 114) = ( -0.1586961 0.1444285 0.2145788), wk = 0.0029851 k( 115) = ( -0.1503437 0.1368270 0.2032851), wk = 0.0029851 k( 116) = ( -0.1419912 0.1292255 0.1919915), wk = 0.0029851 k( 117) = ( -0.1336388 0.1216240 0.1806979), wk = 0.0029851 k( 118) = ( -0.1252864 0.1140225 0.1694043), wk = 0.0029851 k( 119) = ( -0.1169340 0.1064210 0.1581107), wk = 0.0029851 k( 120) = ( -0.1085815 0.0988195 0.1468171), wk = 0.0029851 k( 121) = ( -0.1002291 0.0912180 0.1355234), wk = 0.0029851 k( 122) = ( -0.0918767 0.0836165 0.1242298), wk = 0.0029851 k( 123) = ( -0.0835243 0.0760150 0.1129362), wk = 0.0029851 k( 124) = ( -0.0751718 0.0684135 0.1016426), wk = 0.0029851 k( 125) = ( -0.0668194 0.0608120 0.0903490), wk = 0.0029851 k( 126) = ( -0.0584670 0.0532105 0.0790553), wk = 0.0029851 k( 127) = ( -0.0501146 0.0456090 0.0677617), wk = 0.0029851 k( 128) = ( -0.0417621 0.0380075 0.0564681), wk = 0.0029851 k( 129) = ( -0.0334097 0.0304060 0.0451745), wk = 0.0029851 k( 130) = ( -0.0250573 0.0228045 0.0338809), wk = 0.0029851 k( 131) = ( -0.0167049 0.0152030 0.0225872), wk = 0.0029851 k( 132) = ( -0.0083524 0.0076015 0.0112936), wk = 0.0029851 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 135) = ( 0.0106383 0.0116892 -0.0000000), wk = 0.0029851 k( 136) = ( 0.0212766 0.0233784 -0.0000000), wk = 0.0029851 k( 137) = ( 0.0319149 0.0350676 -0.0000000), wk = 0.0029851 k( 138) = ( 0.0425532 0.0467569 -0.0000000), wk = 0.0029851 k( 139) = ( 0.0531915 0.0584461 -0.0000000), wk = 0.0029851 k( 140) = ( 0.0638298 0.0701353 -0.0000000), wk = 0.0029851 k( 141) = ( 0.0744681 0.0818245 -0.0000000), wk = 0.0029851 k( 142) = ( 0.0851064 0.0935137 -0.0000000), wk = 0.0029851 k( 143) = ( 0.0957447 0.1052030 -0.0000000), wk = 0.0029851 k( 144) = ( 0.1063830 0.1168922 -0.0000000), wk = 0.0029851 k( 145) = ( 0.1170213 0.1285814 -0.0000000), wk = 0.0029851 k( 146) = ( 0.1276596 0.1402706 -0.0000000), wk = 0.0029851 k( 147) = ( 0.1382979 0.1519598 -0.0000000), wk = 0.0029851 k( 148) = ( 0.1489362 0.1636490 -0.0000000), wk = 0.0029851 k( 149) = ( 0.1595745 0.1753383 -0.0000000), wk = 0.0029851 k( 150) = ( 0.1702128 0.1870275 -0.0000000), wk = 0.0029851 k( 151) = ( 0.1808511 0.1987167 -0.0000000), wk = 0.0029851 k( 152) = ( 0.1914894 0.2104059 -0.0000000), wk = 0.0029851 k( 153) = ( 0.2021277 0.2220951 -0.0000000), wk = 0.0029851 k( 154) = ( 0.2127660 0.2337844 -0.0000000), wk = 0.0029851 k( 155) = ( 0.2234043 0.2454736 -0.0000000), wk = 0.0029851 k( 156) = ( 0.2340425 0.2571628 -0.0000000), wk = 0.0029851 k( 157) = ( 0.2446809 0.2688520 -0.0000000), wk = 0.0029851 k( 158) = ( 0.2553191 0.2805412 -0.0000000), wk = 0.0029851 k( 159) = ( 0.2659574 0.2922304 -0.0000000), wk = 0.0029851 k( 160) = ( 0.2765957 0.3039196 -0.0000000), wk = 0.0029851 k( 161) = ( 0.2872340 0.3156089 -0.0000000), wk = 0.0029851 k( 162) = ( 0.2978723 0.3272981 -0.0000000), wk = 0.0029851 k( 163) = ( 0.3085106 0.3389873 -0.0000000), wk = 0.0029851 k( 164) = ( 0.3191489 0.3506765 -0.0000000), wk = 0.0029851 k( 165) = ( 0.3297872 0.3623657 -0.0000000), wk = 0.0029851 k( 166) = ( 0.3404255 0.3740550 -0.0000000), wk = 0.0029851 k( 167) = ( 0.3510638 0.3857442 -0.0000000), wk = 0.0029851 k( 168) = ( 0.3617021 0.3974334 -0.0000000), wk = 0.0029851 k( 169) = ( 0.3723404 0.4091226 -0.0000000), wk = 0.0029851 k( 170) = ( 0.3829787 0.4208118 -0.0000000), wk = 0.0029851 k( 171) = ( 0.3936170 0.4325010 -0.0000000), wk = 0.0029851 k( 172) = ( 0.4042553 0.4441903 -0.0000000), wk = 0.0029851 k( 173) = ( 0.4148936 0.4558795 -0.0000000), wk = 0.0029851 k( 174) = ( 0.4255319 0.4675687 -0.0000000), wk = 0.0029851 k( 175) = ( 0.4361702 0.4792579 -0.0000000), wk = 0.0029851 k( 176) = ( 0.4468085 0.4909471 -0.0000000), wk = 0.0029851 k( 177) = ( 0.4574468 0.5026364 -0.0000000), wk = 0.0029851 k( 178) = ( 0.4680851 0.5143256 -0.0000000), wk = 0.0029851 k( 179) = ( 0.4787234 0.5260148 -0.0000000), wk = 0.0029851 k( 180) = ( 0.4893617 0.5377040 -0.0000000), wk = 0.0029851 k( 181) = ( 0.5000000 0.5493932 -0.0000000), wk = 0.0029851 k( 182) = ( 0.5000000 0.5493932 -0.0000000), wk = 0.0029851 k( 183) = ( 0.4917430 0.5569078 0.0111645), wk = 0.0029851 k( 184) = ( 0.4834861 0.5644225 0.0223291), wk = 0.0029851 k( 185) = ( 0.4752291 0.5719371 0.0334936), wk = 0.0029851 k( 186) = ( 0.4669721 0.5794517 0.0446582), wk = 0.0029851 k( 187) = ( 0.4587152 0.5869663 0.0558227), wk = 0.0029851 k( 188) = ( 0.4504582 0.5944809 0.0669872), wk = 0.0029851 k( 189) = ( 0.4422013 0.6019956 0.0781518), wk = 0.0029851 k( 190) = ( 0.4339443 0.6095102 0.0893163), wk = 0.0029851 k( 191) = ( 0.4256873 0.6170248 0.1004809), wk = 0.0029851 k( 192) = ( 0.4174304 0.6245394 0.1116454), wk = 0.0029851 k( 193) = ( 0.4091734 0.6320540 0.1228099), wk = 0.0029851 k( 194) = ( 0.4009164 0.6395687 0.1339745), wk = 0.0029851 k( 195) = ( 0.4009164 0.6395687 0.1339745), wk = 0.0029851 k( 196) = ( 0.3875526 0.6349904 0.1407765), wk = 0.0029851 k( 197) = ( 0.3741887 0.6304121 0.1475784), wk = 0.0029851 k( 198) = ( 0.3608248 0.6258338 0.1543804), wk = 0.0029851 k( 199) = ( 0.3474609 0.6212556 0.1611824), wk = 0.0029851 k( 200) = ( 0.3340971 0.6166773 0.1679844), wk = 0.0029851 k( 201) = ( 0.3207332 0.6120990 0.1747864), wk = 0.0029851 k( 202) = ( 0.3073693 0.6075207 0.1815884), wk = 0.0029851 k( 203) = ( 0.2940054 0.6029424 0.1883904), wk = 0.0029851 k( 204) = ( 0.2806415 0.5983642 0.1951924), wk = 0.0029851 k( 205) = ( 0.2672776 0.5937859 0.2019943), wk = 0.0029851 k( 206) = ( 0.2539137 0.5892076 0.2087963), wk = 0.0029851 k( 207) = ( 0.2405499 0.5846293 0.2155983), wk = 0.0029851 k( 208) = ( 0.2271860 0.5800511 0.2224003), wk = 0.0029851 k( 209) = ( 0.2138221 0.5754728 0.2292023), wk = 0.0029851 k( 210) = ( 0.2004582 0.5708945 0.2360043), wk = 0.0029851 k( 211) = ( 0.1870943 0.5663162 0.2428063), wk = 0.0029851 k( 212) = ( 0.1737305 0.5617379 0.2496083), wk = 0.0029851 k( 213) = ( 0.1603666 0.5571597 0.2564102), wk = 0.0029851 k( 214) = ( 0.1470027 0.5525814 0.2632122), wk = 0.0029851 k( 215) = ( 0.1336388 0.5480031 0.2700142), wk = 0.0029851 k( 216) = ( 0.1202749 0.5434248 0.2768162), wk = 0.0029851 k( 217) = ( 0.1069110 0.5388466 0.2836182), wk = 0.0029851 k( 218) = ( 0.0935472 0.5342683 0.2904202), wk = 0.0029851 k( 219) = ( 0.0801833 0.5296900 0.2972222), wk = 0.0029851 k( 220) = ( 0.0668194 0.5251117 0.3040242), wk = 0.0029851 k( 221) = ( 0.0534555 0.5205335 0.3108261), wk = 0.0029851 k( 222) = ( 0.0400916 0.5159552 0.3176281), wk = 0.0029851 k( 223) = ( 0.0267278 0.5113769 0.3244301), wk = 0.0029851 k( 224) = ( 0.0133639 0.5067986 0.3312321), wk = 0.0029851 k( 225) = ( 0.0000000 0.5022203 0.3380341), wk = 0.0029851 k( 226) = ( 0.0000000 0.5022203 0.3380341), wk = 0.0029851 k( 227) = ( 0.0083333 0.4946362 0.3493019), wk = 0.0029851 k( 228) = ( 0.0166667 0.4870521 0.3605697), wk = 0.0029851 k( 229) = ( 0.0250000 0.4794680 0.3718375), wk = 0.0029851 k( 230) = ( 0.0333333 0.4718839 0.3831053), wk = 0.0029851 k( 231) = ( 0.0416667 0.4642997 0.3943731), wk = 0.0029851 k( 232) = ( 0.0500000 0.4567156 0.4056409), wk = 0.0029851 k( 233) = ( 0.0583333 0.4491315 0.4169087), wk = 0.0029851 k( 234) = ( 0.0666667 0.4415473 0.4281765), wk = 0.0029851 k( 235) = ( 0.0750000 0.4339632 0.4394443), wk = 0.0029851 k( 236) = ( 0.0833333 0.4263791 0.4507121), wk = 0.0029851 k( 237) = ( 0.0916667 0.4187950 0.4619799), wk = 0.0029851 k( 238) = ( 0.1000000 0.4112109 0.4732477), wk = 0.0029851 k( 239) = ( 0.1083333 0.4036267 0.4845155), wk = 0.0029851 k( 240) = ( 0.1166667 0.3960426 0.4957834), wk = 0.0029851 k( 241) = ( 0.1250000 0.3884585 0.5070511), wk = 0.0029851 k( 242) = ( 0.1333333 0.3808744 0.5183189), wk = 0.0029851 k( 243) = ( 0.1416667 0.3732902 0.5295868), wk = 0.0029851 k( 244) = ( 0.1500000 0.3657061 0.5408546), wk = 0.0029851 k( 245) = ( 0.1583333 0.3581220 0.5521224), wk = 0.0029851 k( 246) = ( 0.1666667 0.3505379 0.5633902), wk = 0.0029851 k( 247) = ( 0.1750000 0.3429537 0.5746580), wk = 0.0029851 k( 248) = ( 0.1833333 0.3353696 0.5859258), wk = 0.0029851 k( 249) = ( 0.1916667 0.3277855 0.5971936), wk = 0.0029851 k( 250) = ( 0.2000000 0.3202014 0.6084614), wk = 0.0029851 k( 251) = ( 0.2083333 0.3126172 0.6197292), wk = 0.0029851 k( 252) = ( 0.2166667 0.3050331 0.6309970), wk = 0.0029851 k( 253) = ( 0.2250000 0.2974490 0.6422648), wk = 0.0029851 k( 254) = ( 0.2333333 0.2898649 0.6535326), wk = 0.0029851 k( 255) = ( 0.2416667 0.2822807 0.6648004), wk = 0.0029851 k( 256) = ( 0.2500000 0.2746966 0.6760682), wk = 0.0029851 k( 257) = ( 0.2500000 0.2746966 0.6760682), wk = 0.0029851 k( 258) = ( 0.2571429 0.2825451 0.6644077), wk = 0.0029851 k( 259) = ( 0.2642857 0.2903936 0.6527471), wk = 0.0029851 k( 260) = ( 0.2714286 0.2982420 0.6410866), wk = 0.0029851 k( 261) = ( 0.2785714 0.3060905 0.6294260), wk = 0.0029851 k( 262) = ( 0.2857143 0.3139390 0.6177655), wk = 0.0029851 k( 263) = ( 0.2928571 0.3217875 0.6061049), wk = 0.0029851 k( 264) = ( 0.3000000 0.3296359 0.5944443), wk = 0.0029851 k( 265) = ( 0.3071429 0.3374844 0.5827838), wk = 0.0029851 k( 266) = ( 0.3142857 0.3453329 0.5711232), wk = 0.0029851 k( 267) = ( 0.3214286 0.3531814 0.5594627), wk = 0.0029851 k( 268) = ( 0.3285714 0.3610298 0.5478021), wk = 0.0029851 k( 269) = ( 0.3357143 0.3688783 0.5361416), wk = 0.0029851 k( 270) = ( 0.3428571 0.3767268 0.5244810), wk = 0.0029851 k( 271) = ( 0.3500000 0.3845753 0.5128205), wk = 0.0029851 k( 272) = ( 0.3571429 0.3924237 0.5011599), wk = 0.0029851 k( 273) = ( 0.3642857 0.4002722 0.4894994), wk = 0.0029851 k( 274) = ( 0.3714286 0.4081207 0.4778388), wk = 0.0029851 k( 275) = ( 0.3785714 0.4159692 0.4661783), wk = 0.0029851 k( 276) = ( 0.3857143 0.4238176 0.4545177), wk = 0.0029851 k( 277) = ( 0.3928571 0.4316661 0.4428572), wk = 0.0029851 k( 278) = ( 0.4000000 0.4395146 0.4311966), wk = 0.0029851 k( 279) = ( 0.4071429 0.4473631 0.4195361), wk = 0.0029851 k( 280) = ( 0.4142857 0.4552115 0.4078755), wk = 0.0029851 k( 281) = ( 0.4214286 0.4630600 0.3962150), wk = 0.0029851 k( 282) = ( 0.4285714 0.4709085 0.3845544), wk = 0.0029851 k( 283) = ( 0.4357143 0.4787570 0.3728939), wk = 0.0029851 k( 284) = ( 0.4428571 0.4866054 0.3612333), wk = 0.0029851 k( 285) = ( 0.4500000 0.4944539 0.3495728), wk = 0.0029851 k( 286) = ( 0.4571429 0.5023024 0.3379122), wk = 0.0029851 k( 287) = ( 0.4642857 0.5101508 0.3262517), wk = 0.0029851 k( 288) = ( 0.4714286 0.5179993 0.3145911), wk = 0.0029851 k( 289) = ( 0.4785714 0.5258478 0.3029306), wk = 0.0029851 k( 290) = ( 0.4857143 0.5336963 0.2912700), wk = 0.0029851 k( 291) = ( 0.4928571 0.5415447 0.2796095), wk = 0.0029851 k( 292) = ( 0.5000000 0.5493932 0.2679489), wk = 0.0029851 k( 293) = ( 0.5000000 0.5493932 0.2679489), wk = 0.0029851 k( 294) = ( 0.5000000 0.5493932 0.2521872), wk = 0.0029851 k( 295) = ( 0.5000000 0.5493932 0.2364255), wk = 0.0029851 k( 296) = ( 0.5000000 0.5493932 0.2206638), wk = 0.0029851 k( 297) = ( 0.5000000 0.5493932 0.2049021), wk = 0.0029851 k( 298) = ( 0.5000000 0.5493932 0.1891404), wk = 0.0029851 k( 299) = ( 0.5000000 0.5493932 0.1733787), wk = 0.0029851 k( 300) = ( 0.5000000 0.5493932 0.1576170), wk = 0.0029851 k( 301) = ( 0.5000000 0.5493932 0.1418553), wk = 0.0029851 k( 302) = ( 0.5000000 0.5493932 0.1260936), wk = 0.0029851 k( 303) = ( 0.5000000 0.5493932 0.1103319), wk = 0.0029851 k( 304) = ( 0.5000000 0.5493932 0.0945702), wk = 0.0029851 k( 305) = ( 0.5000000 0.5493932 0.0788085), wk = 0.0029851 k( 306) = ( 0.5000000 0.5493932 0.0630468), wk = 0.0029851 k( 307) = ( 0.5000000 0.5493932 0.0472851), wk = 0.0029851 k( 308) = ( 0.5000000 0.5493932 0.0315234), wk = 0.0029851 k( 309) = ( 0.5000000 0.5493932 0.0157617), wk = 0.0029851 k( 310) = ( 0.5000000 0.5493932 -0.0000000), wk = 0.0029851 k( 311) = ( 0.0000000 0.0000000 0.6760682), wk = 0.0029851 k( 312) = ( 0.0104167 0.0114457 0.6760682), wk = 0.0029851 k( 313) = ( 0.0208333 0.0228914 0.6760682), wk = 0.0029851 k( 314) = ( 0.0312500 0.0343371 0.6760682), wk = 0.0029851 k( 315) = ( 0.0416667 0.0457828 0.6760682), wk = 0.0029851 k( 316) = ( 0.0520833 0.0572285 0.6760682), wk = 0.0029851 k( 317) = ( 0.0625000 0.0686742 0.6760682), wk = 0.0029851 k( 318) = ( 0.0729167 0.0801198 0.6760682), wk = 0.0029851 k( 319) = ( 0.0833333 0.0915655 0.6760682), wk = 0.0029851 k( 320) = ( 0.0937500 0.1030112 0.6760682), wk = 0.0029851 k( 321) = ( 0.1041667 0.1144569 0.6760682), wk = 0.0029851 k( 322) = ( 0.1145833 0.1259026 0.6760682), wk = 0.0029851 k( 323) = ( 0.1250000 0.1373483 0.6760682), wk = 0.0029851 k( 324) = ( 0.1354167 0.1487940 0.6760682), wk = 0.0029851 k( 325) = ( 0.1458333 0.1602397 0.6760682), wk = 0.0029851 k( 326) = ( 0.1562500 0.1716854 0.6760682), wk = 0.0029851 k( 327) = ( 0.1666667 0.1831311 0.6760682), wk = 0.0029851 k( 328) = ( 0.1770833 0.1945768 0.6760682), wk = 0.0029851 k( 329) = ( 0.1875000 0.2060225 0.6760682), wk = 0.0029851 k( 330) = ( 0.1979167 0.2174682 0.6760682), wk = 0.0029851 k( 331) = ( 0.2083333 0.2289138 0.6760682), wk = 0.0029851 k( 332) = ( 0.2187500 0.2403595 0.6760682), wk = 0.0029851 k( 333) = ( 0.2291667 0.2518052 0.6760682), wk = 0.0029851 k( 334) = ( 0.2395833 0.2632509 0.6760682), wk = 0.0029851 k( 335) = ( 0.2500000 0.2746966 0.6760682), wk = 0.0029851 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 2) = ( 0.0000000 0.0000000 0.0116279), wk = 0.0029851 k( 3) = ( 0.0000000 0.0000000 0.0232558), wk = 0.0029851 k( 4) = ( 0.0000000 0.0000000 0.0348837), wk = 0.0029851 k( 5) = ( 0.0000000 0.0000000 0.0465116), wk = 0.0029851 k( 6) = ( 0.0000000 0.0000000 0.0581395), wk = 0.0029851 k( 7) = ( 0.0000000 0.0000000 0.0697674), wk = 0.0029851 k( 8) = ( 0.0000000 0.0000000 0.0813953), wk = 0.0029851 k( 9) = ( 0.0000000 0.0000000 0.0930233), wk = 0.0029851 k( 10) = ( 0.0000000 0.0000000 0.1046512), wk = 0.0029851 k( 11) = ( 0.0000000 0.0000000 0.1162791), wk = 0.0029851 k( 12) = ( 0.0000000 0.0000000 0.1279070), wk = 0.0029851 k( 13) = ( 0.0000000 0.0000000 0.1395349), wk = 0.0029851 k( 14) = ( 0.0000000 0.0000000 0.1511628), wk = 0.0029851 k( 15) = ( 0.0000000 0.0000000 0.1627907), wk = 0.0029851 k( 16) = ( 0.0000000 0.0000000 0.1744186), wk = 0.0029851 k( 17) = ( 0.0000000 0.0000000 0.1860465), wk = 0.0029851 k( 18) = ( 0.0000000 0.0000000 0.1976744), wk = 0.0029851 k( 19) = ( 0.0000000 0.0000000 0.2093023), wk = 0.0029851 k( 20) = ( 0.0000000 0.0000000 0.2209302), wk = 0.0029851 k( 21) = ( 0.0000000 0.0000000 0.2325581), wk = 0.0029851 k( 22) = ( 0.0000000 0.0000000 0.2441860), wk = 0.0029851 k( 23) = ( 0.0000000 0.0000000 0.2558140), wk = 0.0029851 k( 24) = ( 0.0000000 0.0000000 0.2674419), wk = 0.0029851 k( 25) = ( 0.0000000 0.0000000 0.2790698), wk = 0.0029851 k( 26) = ( 0.0000000 0.0000000 0.2906977), wk = 0.0029851 k( 27) = ( 0.0000000 0.0000000 0.3023256), wk = 0.0029851 k( 28) = ( 0.0000000 0.0000000 0.3139535), wk = 0.0029851 k( 29) = ( 0.0000000 0.0000000 0.3255814), wk = 0.0029851 k( 30) = ( 0.0000000 0.0000000 0.3372093), wk = 0.0029851 k( 31) = ( 0.0000000 0.0000000 0.3488372), wk = 0.0029851 k( 32) = ( 0.0000000 0.0000000 0.3604651), wk = 0.0029851 k( 33) = ( 0.0000000 0.0000000 0.3720930), wk = 0.0029851 k( 34) = ( 0.0000000 0.0000000 0.3837209), wk = 0.0029851 k( 35) = ( 0.0000000 0.0000000 0.3953488), wk = 0.0029851 k( 36) = ( 0.0000000 0.0000000 0.4069767), wk = 0.0029851 k( 37) = ( 0.0000000 0.0000000 0.4186046), wk = 0.0029851 k( 38) = ( 0.0000000 0.0000000 0.4302326), wk = 0.0029851 k( 39) = ( 0.0000000 0.0000000 0.4418605), wk = 0.0029851 k( 40) = ( 0.0000000 0.0000000 0.4534884), wk = 0.0029851 k( 41) = ( 0.0000000 0.0000000 0.4651163), wk = 0.0029851 k( 42) = ( 0.0000000 0.0000000 0.4767442), wk = 0.0029851 k( 43) = ( 0.0000000 0.0000000 0.4883721), wk = 0.0029851 k( 44) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 45) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 46) = ( -0.0116090 0.0116090 0.5000000), wk = 0.0029851 k( 47) = ( -0.0232179 0.0232179 0.5000000), wk = 0.0029851 k( 48) = ( -0.0348269 0.0348269 0.5000000), wk = 0.0029851 k( 49) = ( -0.0464358 0.0464358 0.5000000), wk = 0.0029851 k( 50) = ( -0.0580448 0.0580448 0.5000000), wk = 0.0029851 k( 51) = ( -0.0696538 0.0696537 0.5000000), wk = 0.0029851 k( 52) = ( -0.0812627 0.0812627 0.5000000), wk = 0.0029851 k( 53) = ( -0.0928717 0.0928717 0.5000000), wk = 0.0029851 k( 54) = ( -0.1044806 0.1044806 0.5000000), wk = 0.0029851 k( 55) = ( -0.1160896 0.1160896 0.5000000), wk = 0.0029851 k( 56) = ( -0.1276985 0.1276985 0.5000000), wk = 0.0029851 k( 57) = ( -0.1393075 0.1393075 0.5000000), wk = 0.0029851 k( 58) = ( -0.1509165 0.1509165 0.5000000), wk = 0.0029851 k( 59) = ( -0.1625254 0.1625254 0.5000000), wk = 0.0029851 k( 60) = ( -0.1741344 0.1741344 0.5000000), wk = 0.0029851 k( 61) = ( -0.1857433 0.1857433 0.5000000), wk = 0.0029851 k( 62) = ( -0.1973523 0.1973523 0.5000000), wk = 0.0029851 k( 63) = ( -0.2089612 0.2089612 0.5000000), wk = 0.0029851 k( 64) = ( -0.2205702 0.2205702 0.5000000), wk = 0.0029851 k( 65) = ( -0.2321792 0.2321792 0.5000000), wk = 0.0029851 k( 66) = ( -0.2437881 0.2437881 0.5000000), wk = 0.0029851 k( 67) = ( -0.2553971 0.2553971 0.5000000), wk = 0.0029851 k( 68) = ( -0.2670060 0.2670060 0.5000000), wk = 0.0029851 k( 69) = ( -0.2786150 0.2786150 0.5000000), wk = 0.0029851 k( 70) = ( -0.2902240 0.2902240 0.5000000), wk = 0.0029851 k( 71) = ( -0.3018329 0.3018329 0.5000000), wk = 0.0029851 k( 72) = ( -0.3018329 0.3018329 0.5000000), wk = 0.0029851 k( 73) = ( -0.3100899 0.3100899 0.4917430), wk = 0.0029851 k( 74) = ( -0.3183468 0.3183468 0.4834861), wk = 0.0029851 k( 75) = ( -0.3266038 0.3266038 0.4752291), wk = 0.0029851 k( 76) = ( -0.3348608 0.3348608 0.4669721), wk = 0.0029851 k( 77) = ( -0.3431177 0.3431177 0.4587152), wk = 0.0029851 k( 78) = ( -0.3513747 0.3513747 0.4504582), wk = 0.0029851 k( 79) = ( -0.3596316 0.3596316 0.4422013), wk = 0.0029851 k( 80) = ( -0.3678886 0.3678886 0.4339443), wk = 0.0029851 k( 81) = ( -0.3761456 0.3761456 0.4256873), wk = 0.0029851 k( 82) = ( -0.3844025 0.3844025 0.4174304), wk = 0.0029851 k( 83) = ( -0.3926595 0.3926595 0.4091734), wk = 0.0029851 k( 84) = ( -0.4009164 0.4009164 0.4009164), wk = 0.0029851 k( 85) = ( -0.4009164 0.4009164 0.4009164), wk = 0.0029851 k( 86) = ( -0.3925640 0.3925640 0.3925640), wk = 0.0029851 k( 87) = ( -0.3842116 0.3842116 0.3842116), wk = 0.0029851 k( 88) = ( -0.3758592 0.3758592 0.3758592), wk = 0.0029851 k( 89) = ( -0.3675067 0.3675067 0.3675067), wk = 0.0029851 k( 90) = ( -0.3591543 0.3591543 0.3591543), wk = 0.0029851 k( 91) = ( -0.3508019 0.3508019 0.3508019), wk = 0.0029851 k( 92) = ( -0.3424495 0.3424495 0.3424495), wk = 0.0029851 k( 93) = ( -0.3340971 0.3340971 0.3340971), wk = 0.0029851 k( 94) = ( -0.3257446 0.3257446 0.3257446), wk = 0.0029851 k( 95) = ( -0.3173922 0.3173922 0.3173922), wk = 0.0029851 k( 96) = ( -0.3090398 0.3090398 0.3090398), wk = 0.0029851 k( 97) = ( -0.3006873 0.3006873 0.3006873), wk = 0.0029851 k( 98) = ( -0.2923349 0.2923349 0.2923349), wk = 0.0029851 k( 99) = ( -0.2839825 0.2839825 0.2839825), wk = 0.0029851 k( 100) = ( -0.2756301 0.2756301 0.2756301), wk = 0.0029851 k( 101) = ( -0.2672776 0.2672776 0.2672776), wk = 0.0029851 k( 102) = ( -0.2589252 0.2589252 0.2589252), wk = 0.0029851 k( 103) = ( -0.2505728 0.2505728 0.2505728), wk = 0.0029851 k( 104) = ( -0.2422204 0.2422204 0.2422204), wk = 0.0029851 k( 105) = ( -0.2338679 0.2338679 0.2338679), wk = 0.0029851 k( 106) = ( -0.2255155 0.2255155 0.2255155), wk = 0.0029851 k( 107) = ( -0.2171631 0.2171631 0.2171631), wk = 0.0029851 k( 108) = ( -0.2088106 0.2088106 0.2088106), wk = 0.0029851 k( 109) = ( -0.2004582 0.2004582 0.2004582), wk = 0.0029851 k( 110) = ( -0.1921058 0.1921058 0.1921058), wk = 0.0029851 k( 111) = ( -0.1837534 0.1837534 0.1837534), wk = 0.0029851 k( 112) = ( -0.1754009 0.1754009 0.1754009), wk = 0.0029851 k( 113) = ( -0.1670485 0.1670485 0.1670485), wk = 0.0029851 k( 114) = ( -0.1586961 0.1586961 0.1586961), wk = 0.0029851 k( 115) = ( -0.1503437 0.1503437 0.1503437), wk = 0.0029851 k( 116) = ( -0.1419912 0.1419912 0.1419912), wk = 0.0029851 k( 117) = ( -0.1336388 0.1336388 0.1336388), wk = 0.0029851 k( 118) = ( -0.1252864 0.1252864 0.1252864), wk = 0.0029851 k( 119) = ( -0.1169340 0.1169340 0.1169340), wk = 0.0029851 k( 120) = ( -0.1085815 0.1085815 0.1085815), wk = 0.0029851 k( 121) = ( -0.1002291 0.1002291 0.1002291), wk = 0.0029851 k( 122) = ( -0.0918767 0.0918767 0.0918767), wk = 0.0029851 k( 123) = ( -0.0835243 0.0835243 0.0835243), wk = 0.0029851 k( 124) = ( -0.0751718 0.0751718 0.0751718), wk = 0.0029851 k( 125) = ( -0.0668194 0.0668194 0.0668194), wk = 0.0029851 k( 126) = ( -0.0584670 0.0584670 0.0584670), wk = 0.0029851 k( 127) = ( -0.0501146 0.0501146 0.0501146), wk = 0.0029851 k( 128) = ( -0.0417621 0.0417621 0.0417621), wk = 0.0029851 k( 129) = ( -0.0334097 0.0334097 0.0334097), wk = 0.0029851 k( 130) = ( -0.0250573 0.0250573 0.0250573), wk = 0.0029851 k( 131) = ( -0.0167049 0.0167049 0.0167048), wk = 0.0029851 k( 132) = ( -0.0083524 0.0083524 0.0083524), wk = 0.0029851 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029851 k( 135) = ( 0.0106383 0.0106383 -0.0106383), wk = 0.0029851 k( 136) = ( 0.0212766 0.0212766 -0.0212766), wk = 0.0029851 k( 137) = ( 0.0319149 0.0319149 -0.0319149), wk = 0.0029851 k( 138) = ( 0.0425532 0.0425532 -0.0425532), wk = 0.0029851 k( 139) = ( 0.0531915 0.0531915 -0.0531915), wk = 0.0029851 k( 140) = ( 0.0638298 0.0638298 -0.0638298), wk = 0.0029851 k( 141) = ( 0.0744681 0.0744681 -0.0744681), wk = 0.0029851 k( 142) = ( 0.0851064 0.0851064 -0.0851064), wk = 0.0029851 k( 143) = ( 0.0957447 0.0957447 -0.0957447), wk = 0.0029851 k( 144) = ( 0.1063830 0.1063830 -0.1063830), wk = 0.0029851 k( 145) = ( 0.1170213 0.1170213 -0.1170213), wk = 0.0029851 k( 146) = ( 0.1276596 0.1276596 -0.1276596), wk = 0.0029851 k( 147) = ( 0.1382979 0.1382979 -0.1382979), wk = 0.0029851 k( 148) = ( 0.1489362 0.1489362 -0.1489362), wk = 0.0029851 k( 149) = ( 0.1595745 0.1595745 -0.1595745), wk = 0.0029851 k( 150) = ( 0.1702128 0.1702128 -0.1702128), wk = 0.0029851 k( 151) = ( 0.1808511 0.1808511 -0.1808511), wk = 0.0029851 k( 152) = ( 0.1914894 0.1914894 -0.1914894), wk = 0.0029851 k( 153) = ( 0.2021277 0.2021277 -0.2021277), wk = 0.0029851 k( 154) = ( 0.2127660 0.2127660 -0.2127660), wk = 0.0029851 k( 155) = ( 0.2234043 0.2234043 -0.2234043), wk = 0.0029851 k( 156) = ( 0.2340425 0.2340425 -0.2340425), wk = 0.0029851 k( 157) = ( 0.2446809 0.2446809 -0.2446808), wk = 0.0029851 k( 158) = ( 0.2553191 0.2553191 -0.2553191), wk = 0.0029851 k( 159) = ( 0.2659574 0.2659574 -0.2659574), wk = 0.0029851 k( 160) = ( 0.2765957 0.2765957 -0.2765957), wk = 0.0029851 k( 161) = ( 0.2872340 0.2872340 -0.2872340), wk = 0.0029851 k( 162) = ( 0.2978723 0.2978723 -0.2978723), wk = 0.0029851 k( 163) = ( 0.3085106 0.3085106 -0.3085106), wk = 0.0029851 k( 164) = ( 0.3191489 0.3191489 -0.3191489), wk = 0.0029851 k( 165) = ( 0.3297872 0.3297872 -0.3297872), wk = 0.0029851 k( 166) = ( 0.3404255 0.3404255 -0.3404255), wk = 0.0029851 k( 167) = ( 0.3510638 0.3510638 -0.3510638), wk = 0.0029851 k( 168) = ( 0.3617021 0.3617021 -0.3617021), wk = 0.0029851 k( 169) = ( 0.3723404 0.3723404 -0.3723404), wk = 0.0029851 k( 170) = ( 0.3829787 0.3829787 -0.3829787), wk = 0.0029851 k( 171) = ( 0.3936170 0.3936170 -0.3936170), wk = 0.0029851 k( 172) = ( 0.4042553 0.4042553 -0.4042553), wk = 0.0029851 k( 173) = ( 0.4148936 0.4148936 -0.4148936), wk = 0.0029851 k( 174) = ( 0.4255319 0.4255319 -0.4255319), wk = 0.0029851 k( 175) = ( 0.4361702 0.4361702 -0.4361702), wk = 0.0029851 k( 176) = ( 0.4468085 0.4468085 -0.4468085), wk = 0.0029851 k( 177) = ( 0.4574468 0.4574468 -0.4574468), wk = 0.0029851 k( 178) = ( 0.4680851 0.4680851 -0.4680851), wk = 0.0029851 k( 179) = ( 0.4787234 0.4787234 -0.4787234), wk = 0.0029851 k( 180) = ( 0.4893617 0.4893617 -0.4893617), wk = 0.0029851 k( 181) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029851 k( 182) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029851 k( 183) = ( 0.4917430 0.5082570 -0.4917430), wk = 0.0029851 k( 184) = ( 0.4834861 0.5165139 -0.4834861), wk = 0.0029851 k( 185) = ( 0.4752291 0.5247709 -0.4752291), wk = 0.0029851 k( 186) = ( 0.4669721 0.5330278 -0.4669721), wk = 0.0029851 k( 187) = ( 0.4587152 0.5412848 -0.4587152), wk = 0.0029851 k( 188) = ( 0.4504582 0.5495418 -0.4504582), wk = 0.0029851 k( 189) = ( 0.4422013 0.5577987 -0.4422013), wk = 0.0029851 k( 190) = ( 0.4339443 0.5660557 -0.4339443), wk = 0.0029851 k( 191) = ( 0.4256873 0.5743127 -0.4256873), wk = 0.0029851 k( 192) = ( 0.4174304 0.5825696 -0.4174304), wk = 0.0029851 k( 193) = ( 0.4091734 0.5908266 -0.4091734), wk = 0.0029851 k( 194) = ( 0.4009164 0.5990836 -0.4009164), wk = 0.0029851 k( 195) = ( 0.4009164 0.5990836 -0.4009164), wk = 0.0029851 k( 196) = ( 0.3875526 0.5957808 -0.3875526), wk = 0.0029851 k( 197) = ( 0.3741887 0.5924780 -0.3741887), wk = 0.0029851 k( 198) = ( 0.3608248 0.5891752 -0.3608248), wk = 0.0029851 k( 199) = ( 0.3474609 0.5858724 -0.3474609), wk = 0.0029851 k( 200) = ( 0.3340971 0.5825696 -0.3340971), wk = 0.0029851 k( 201) = ( 0.3207332 0.5792668 -0.3207332), wk = 0.0029851 k( 202) = ( 0.3073693 0.5759640 -0.3073693), wk = 0.0029851 k( 203) = ( 0.2940054 0.5726613 -0.2940054), wk = 0.0029851 k( 204) = ( 0.2806415 0.5693585 -0.2806415), wk = 0.0029851 k( 205) = ( 0.2672776 0.5660557 -0.2672776), wk = 0.0029851 k( 206) = ( 0.2539137 0.5627529 -0.2539138), wk = 0.0029851 k( 207) = ( 0.2405499 0.5594501 -0.2405499), wk = 0.0029851 k( 208) = ( 0.2271860 0.5561473 -0.2271860), wk = 0.0029851 k( 209) = ( 0.2138221 0.5528446 -0.2138221), wk = 0.0029851 k( 210) = ( 0.2004582 0.5495418 -0.2004582), wk = 0.0029851 k( 211) = ( 0.1870943 0.5462390 -0.1870943), wk = 0.0029851 k( 212) = ( 0.1737305 0.5429362 -0.1737305), wk = 0.0029851 k( 213) = ( 0.1603666 0.5396334 -0.1603666), wk = 0.0029851 k( 214) = ( 0.1470027 0.5363306 -0.1470027), wk = 0.0029851 k( 215) = ( 0.1336388 0.5330279 -0.1336388), wk = 0.0029851 k( 216) = ( 0.1202749 0.5297251 -0.1202749), wk = 0.0029851 k( 217) = ( 0.1069110 0.5264223 -0.1069110), wk = 0.0029851 k( 218) = ( 0.0935472 0.5231195 -0.0935472), wk = 0.0029851 k( 219) = ( 0.0801833 0.5198167 -0.0801833), wk = 0.0029851 k( 220) = ( 0.0668194 0.5165139 -0.0668194), wk = 0.0029851 k( 221) = ( 0.0534555 0.5132111 -0.0534555), wk = 0.0029851 k( 222) = ( 0.0400916 0.5099084 -0.0400916), wk = 0.0029851 k( 223) = ( 0.0267278 0.5066056 -0.0267278), wk = 0.0029851 k( 224) = ( 0.0133639 0.5033028 -0.0133639), wk = 0.0029851 k( 225) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029851 k( 226) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029851 k( 227) = ( 0.0083333 0.4916667 0.0083333), wk = 0.0029851 k( 228) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0029851 k( 229) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0029851 k( 230) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0029851 k( 231) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0029851 k( 232) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0029851 k( 233) = ( 0.0583333 0.4416667 0.0583333), wk = 0.0029851 k( 234) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0029851 k( 235) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0029851 k( 236) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029851 k( 237) = ( 0.0916667 0.4083333 0.0916667), wk = 0.0029851 k( 238) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0029851 k( 239) = ( 0.1083333 0.3916667 0.1083333), wk = 0.0029851 k( 240) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0029851 k( 241) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0029851 k( 242) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0029851 k( 243) = ( 0.1416667 0.3583333 0.1416667), wk = 0.0029851 k( 244) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0029851 k( 245) = ( 0.1583333 0.3416667 0.1583333), wk = 0.0029851 k( 246) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029851 k( 247) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0029851 k( 248) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0029851 k( 249) = ( 0.1916667 0.3083333 0.1916667), wk = 0.0029851 k( 250) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0029851 k( 251) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0029851 k( 252) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0029851 k( 253) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0029851 k( 254) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0029851 k( 255) = ( 0.2416667 0.2583333 0.2416667), wk = 0.0029851 k( 256) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 257) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 k( 258) = ( 0.2571429 0.2571429 0.2342333), wk = 0.0029851 k( 259) = ( 0.2642857 0.2642857 0.2184667), wk = 0.0029851 k( 260) = ( 0.2714286 0.2714286 0.2027000), wk = 0.0029851 k( 261) = ( 0.2785714 0.2785714 0.1869334), wk = 0.0029851 k( 262) = ( 0.2857143 0.2857143 0.1711667), wk = 0.0029851 k( 263) = ( 0.2928571 0.2928571 0.1554001), wk = 0.0029851 k( 264) = ( 0.3000000 0.3000000 0.1396334), wk = 0.0029851 k( 265) = ( 0.3071429 0.3071429 0.1238668), wk = 0.0029851 k( 266) = ( 0.3142857 0.3142857 0.1081001), wk = 0.0029851 k( 267) = ( 0.3214286 0.3214286 0.0923334), wk = 0.0029851 k( 268) = ( 0.3285714 0.3285714 0.0765668), wk = 0.0029851 k( 269) = ( 0.3357143 0.3357143 0.0608001), wk = 0.0029851 k( 270) = ( 0.3428571 0.3428571 0.0450335), wk = 0.0029851 k( 271) = ( 0.3500000 0.3500000 0.0292668), wk = 0.0029851 k( 272) = ( 0.3571429 0.3571429 0.0135002), wk = 0.0029851 k( 273) = ( 0.3642857 0.3642857 -0.0022665), wk = 0.0029851 k( 274) = ( 0.3714286 0.3714286 -0.0180331), wk = 0.0029851 k( 275) = ( 0.3785714 0.3785714 -0.0337998), wk = 0.0029851 k( 276) = ( 0.3857143 0.3857143 -0.0495664), wk = 0.0029851 k( 277) = ( 0.3928571 0.3928571 -0.0653331), wk = 0.0029851 k( 278) = ( 0.4000000 0.4000000 -0.0810997), wk = 0.0029851 k( 279) = ( 0.4071429 0.4071429 -0.0968664), wk = 0.0029851 k( 280) = ( 0.4142857 0.4142857 -0.1126330), wk = 0.0029851 k( 281) = ( 0.4214286 0.4214286 -0.1283997), wk = 0.0029851 k( 282) = ( 0.4285714 0.4285714 -0.1441664), wk = 0.0029851 k( 283) = ( 0.4357143 0.4357143 -0.1599330), wk = 0.0029851 k( 284) = ( 0.4428571 0.4428571 -0.1756997), wk = 0.0029851 k( 285) = ( 0.4500000 0.4500000 -0.1914663), wk = 0.0029851 k( 286) = ( 0.4571429 0.4571429 -0.2072330), wk = 0.0029851 k( 287) = ( 0.4642857 0.4642857 -0.2229996), wk = 0.0029851 k( 288) = ( 0.4714286 0.4714286 -0.2387663), wk = 0.0029851 k( 289) = ( 0.4785714 0.4785714 -0.2545329), wk = 0.0029851 k( 290) = ( 0.4857143 0.4857143 -0.2702996), wk = 0.0029851 k( 291) = ( 0.4928571 0.4928571 -0.2860663), wk = 0.0029851 k( 292) = ( 0.5000000 0.5000000 -0.3018329), wk = 0.0029851 k( 293) = ( 0.5000000 0.5000000 -0.3018329), wk = 0.0029851 k( 294) = ( 0.5000000 0.5000000 -0.3134898), wk = 0.0029851 k( 295) = ( 0.5000000 0.5000000 -0.3251467), wk = 0.0029851 k( 296) = ( 0.5000000 0.5000000 -0.3368036), wk = 0.0029851 k( 297) = ( 0.5000000 0.5000000 -0.3484605), wk = 0.0029851 k( 298) = ( 0.5000000 0.5000000 -0.3601174), wk = 0.0029851 k( 299) = ( 0.5000000 0.5000000 -0.3717742), wk = 0.0029851 k( 300) = ( 0.5000000 0.5000000 -0.3834311), wk = 0.0029851 k( 301) = ( 0.5000000 0.5000000 -0.3950880), wk = 0.0029851 k( 302) = ( 0.5000000 0.5000000 -0.4067449), wk = 0.0029851 k( 303) = ( 0.5000000 0.5000000 -0.4184018), wk = 0.0029851 k( 304) = ( 0.5000000 0.5000000 -0.4300587), wk = 0.0029851 k( 305) = ( 0.5000000 0.5000000 -0.4417156), wk = 0.0029851 k( 306) = ( 0.5000000 0.5000000 -0.4533725), wk = 0.0029851 k( 307) = ( 0.5000000 0.5000000 -0.4650293), wk = 0.0029851 k( 308) = ( 0.5000000 0.5000000 -0.4766862), wk = 0.0029851 k( 309) = ( 0.5000000 0.5000000 -0.4883431), wk = 0.0029851 k( 310) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029851 k( 311) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029851 k( 312) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0029851 k( 313) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0029851 k( 314) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0029851 k( 315) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0029851 k( 316) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0029851 k( 317) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0029851 k( 318) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0029851 k( 319) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0029851 k( 320) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0029851 k( 321) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0029851 k( 322) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0029851 k( 323) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029851 k( 324) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0029851 k( 325) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0029851 k( 326) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0029851 k( 327) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029851 k( 328) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0029851 k( 329) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0029851 k( 330) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0029851 k( 331) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0029851 k( 332) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0029851 k( 333) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0029851 k( 334) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0029851 k( 335) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029851 Dense grid: 97055 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 47201 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 344, 40) NL pseudopotentials 0.18 Mb ( 172, 70) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2696) G-vector shells 0.01 Mb ( 1255) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.84 Mb ( 344, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.09 Mb ( 70, 2, 40) The potential is recalculated from file : ./Na2H4Pt.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.9 secs Computing kpt #: 10 total cpu time spent up to now is 6.4 secs Computing kpt #: 11 total cpu time spent up to now is 6.9 secs Computing kpt #: 12 total cpu time spent up to now is 7.4 secs Computing kpt #: 13 total cpu time spent up to now is 8.0 secs Computing kpt #: 14 total cpu time spent up to now is 8.6 secs Computing kpt #: 15 total cpu time spent up to now is 9.0 secs Computing kpt #: 16 total cpu time spent up to now is 9.5 secs Computing kpt #: 17 total cpu time spent up to now is 9.9 secs Computing kpt #: 18 total cpu time spent up to now is 10.3 secs Computing kpt #: 19 total cpu time spent up to now is 10.7 secs Computing kpt #: 20 total cpu time spent up to now is 11.1 secs Computing kpt #: 21 total cpu time spent up to now is 11.4 secs Computing kpt #: 22 total cpu time spent up to now is 11.8 secs Computing kpt #: 23 total cpu time spent up to now is 12.2 secs Computing kpt #: 24 total cpu time spent up to now is 12.6 secs Computing kpt #: 25 total cpu time spent up to now is 13.0 secs Computing kpt #: 26 total cpu time spent up to now is 13.3 secs Computing kpt #: 27 total cpu time spent up to now is 13.7 secs Computing kpt #: 28 total cpu time spent up to now is 14.1 secs Computing kpt #: 29 total cpu time spent up to now is 14.5 secs Computing kpt #: 30 total cpu time spent up to now is 14.9 secs Computing kpt #: 31 total cpu time spent up to now is 15.2 secs Computing kpt #: 32 total cpu time spent up to now is 15.6 secs Computing kpt #: 33 total cpu time spent up to now is 16.0 secs Computing kpt #: 34 total cpu time spent up to now is 16.4 secs Computing kpt #: 35 total cpu time spent up to now is 16.7 secs Computing kpt #: 36 total cpu time spent up to now is 17.1 secs Computing kpt #: 37 total cpu time spent up to now is 17.5 secs Computing kpt #: 38 total cpu time spent up to now is 17.8 secs Computing kpt #: 39 total cpu time spent up to now is 18.2 secs Computing kpt #: 40 total cpu time spent up to now is 18.6 secs Computing kpt #: 41 total cpu time spent up to now is 19.0 secs Computing kpt #: 42 total cpu time spent up to now is 19.3 secs Computing kpt #: 43 total cpu time spent up to now is 19.7 secs Computing kpt #: 44 total cpu time spent up to now is 20.0 secs Computing kpt #: 45 total cpu time spent up to now is 20.4 secs Computing kpt #: 46 total cpu time spent up to now is 20.7 secs Computing kpt #: 47 total cpu time spent up to now is 21.1 secs Computing kpt #: 48 total cpu time spent up to now is 21.5 secs Computing kpt #: 49 total cpu time spent up to now is 21.9 secs Computing kpt #: 50 total cpu time spent up to now is 22.2 secs Computing kpt #: 51 total cpu time spent up to now is 22.6 secs Computing kpt #: 52 total cpu time spent up to now is 23.0 secs Computing kpt #: 53 total cpu time spent up to now is 23.4 secs Computing kpt #: 54 total cpu time spent up to now is 23.8 secs Computing kpt #: 55 total cpu time spent up to now is 24.2 secs Computing kpt #: 56 total cpu time spent up to now is 24.6 secs Computing kpt #: 57 total cpu time spent up to now is 25.0 secs Computing kpt #: 58 total cpu time spent up to now is 25.4 secs Computing kpt #: 59 total cpu time spent up to now is 25.8 secs Computing kpt #: 60 total cpu time spent up to now is 26.1 secs Computing kpt #: 61 total cpu time spent up to now is 26.5 secs Computing kpt #: 62 total cpu time spent up to now is 26.9 secs Computing kpt #: 63 total cpu time spent up to now is 27.2 secs Computing kpt #: 64 total cpu time spent up to now is 27.6 secs Computing kpt #: 65 total cpu time spent up to now is 27.9 secs Computing kpt #: 66 total cpu time spent up to now is 28.3 secs Computing kpt #: 67 total cpu time spent up to now is 28.6 secs Computing kpt #: 68 total cpu time spent up to now is 29.0 secs Computing kpt #: 69 total cpu time spent up to now is 29.3 secs Computing kpt #: 70 total cpu time spent up to now is 29.6 secs Computing kpt #: 71 total cpu time spent up to now is 30.0 secs Computing kpt #: 72 total cpu time spent up to now is 30.3 secs Computing kpt #: 73 total cpu time spent up to now is 30.6 secs Computing kpt #: 74 total cpu time spent up to now is 31.0 secs Computing kpt #: 75 total cpu time spent up to now is 31.3 secs Computing kpt #: 76 total cpu time spent up to now is 31.7 secs Computing kpt #: 77 total cpu time spent up to now is 32.0 secs Computing kpt #: 78 total cpu time spent up to now is 32.3 secs Computing kpt #: 79 total cpu time spent up to now is 32.7 secs Computing kpt #: 80 total cpu time spent up to now is 33.0 secs Computing kpt #: 81 total cpu time spent up to now is 33.4 secs Computing kpt #: 82 total cpu time spent up to now is 33.7 secs Computing kpt #: 83 total cpu time spent up to now is 34.0 secs Computing kpt #: 84 total cpu time spent up to now is 34.4 secs Computing kpt #: 85 total cpu time spent up to now is 34.7 secs Computing kpt #: 86 total cpu time spent up to now is 35.0 secs Computing kpt #: 87 total cpu time spent up to now is 35.4 secs Computing kpt #: 88 total cpu time spent up to now is 35.7 secs Computing kpt #: 89 total cpu time spent up to now is 36.1 secs Computing kpt #: 90 total cpu time spent up to now is 36.4 secs Computing kpt #: 91 total cpu time spent up to now is 36.8 secs Computing kpt #: 92 total cpu time spent up to now is 37.1 secs Computing kpt #: 93 total cpu time spent up to now is 37.5 secs Computing kpt #: 94 total cpu time spent up to now is 37.8 secs Computing kpt #: 95 total cpu time spent up to now is 38.2 secs Computing kpt #: 96 total cpu time spent up to now is 38.5 secs Computing kpt #: 97 total cpu time spent up to now is 38.9 secs Computing kpt #: 98 total cpu time spent up to now is 39.3 secs Computing kpt #: 99 total cpu time spent up to now is 39.6 secs Computing kpt #: 100 total cpu time spent up to now is 40.0 secs Computing kpt #: 101 total cpu time spent up to now is 40.5 secs Computing kpt #: 102 total cpu time spent up to now is 40.9 secs Computing kpt #: 103 total cpu time spent up to now is 41.3 secs Computing kpt #: 104 total cpu time spent up to now is 41.7 secs Computing kpt #: 105 total cpu time spent up to now is 42.1 secs Computing kpt #: 106 total cpu time spent up to now is 42.5 secs Computing kpt #: 107 total cpu time spent up to now is 42.8 secs Computing kpt #: 108 total cpu time spent up to now is 43.2 secs Computing kpt #: 109 total cpu time spent up to now is 43.6 secs Computing kpt #: 110 total cpu time spent up to now is 44.0 secs Computing kpt #: 111 total cpu time spent up to now is 44.4 secs Computing kpt #: 112 total cpu time spent up to now is 44.8 secs Computing kpt #: 113 total cpu time spent up to now is 45.3 secs Computing kpt #: 114 total cpu time spent up to now is 45.7 secs Computing kpt #: 115 total cpu time spent up to now is 46.2 secs Computing kpt #: 116 total cpu time spent up to now is 46.6 secs Computing kpt #: 117 total cpu time spent up to now is 47.1 secs Computing kpt #: 118 total cpu time spent up to now is 47.6 secs Computing kpt #: 119 total cpu time spent up to now is 48.1 secs Computing kpt #: 120 total cpu time spent up to now is 48.6 secs Computing kpt #: 121 total cpu time spent up to now is 49.1 secs Computing kpt #: 122 total cpu time spent up to now is 49.6 secs Computing kpt #: 123 total cpu time spent up to now is 50.2 secs Computing kpt #: 124 total cpu time spent up to now is 50.7 secs Computing kpt #: 125 total cpu time spent up to now is 51.2 secs Computing kpt #: 126 total cpu time spent up to now is 51.7 secs Computing kpt #: 127 total cpu time spent up to now is 52.1 secs Computing kpt #: 128 total cpu time spent up to now is 52.5 secs Computing kpt #: 129 total cpu time spent up to now is 52.9 secs Computing kpt #: 130 total cpu time spent up to now is 53.3 secs Computing kpt #: 131 total cpu time spent up to now is 53.8 secs Computing kpt #: 132 total cpu time spent up to now is 54.2 secs Computing kpt #: 133 total cpu time spent up to now is 54.6 secs Computing kpt #: 134 total cpu time spent up to now is 55.0 secs Computing kpt #: 135 total cpu time spent up to now is 55.4 secs Computing kpt #: 136 total cpu time spent up to now is 55.8 secs Computing kpt #: 137 total cpu time spent up to now is 56.2 secs Computing kpt #: 138 total cpu time spent up to now is 56.6 secs Computing kpt #: 139 total cpu time spent up to now is 57.1 secs Computing kpt #: 140 total cpu time spent up to now is 57.5 secs Computing kpt #: 141 total cpu time spent up to now is 57.9 secs Computing kpt #: 142 total cpu time spent up to now is 58.3 secs Computing kpt #: 143 total cpu time spent up to now is 58.7 secs Computing kpt #: 144 total cpu time spent up to now is 59.1 secs Computing kpt #: 145 total cpu time spent up to now is 59.5 secs Computing kpt #: 146 total cpu time spent up to now is 59.9 secs Computing kpt #: 147 total cpu time spent up to now is 60.3 secs Computing kpt #: 148 total cpu time spent up to now is 60.7 secs Computing kpt #: 149 total cpu time spent up to now is 61.1 secs Computing kpt #: 150 total cpu time spent up to now is 61.5 secs Computing kpt #: 151 total cpu time spent up to now is 61.9 secs Computing kpt #: 152 total cpu time spent up to now is 62.2 secs Computing kpt #: 153 total cpu time spent up to now is 62.6 secs Computing kpt #: 154 total cpu time spent up to now is 63.0 secs Computing kpt #: 155 total cpu time spent up to now is 63.3 secs Computing kpt #: 156 total cpu time spent up to now is 63.7 secs Computing kpt #: 157 total cpu time spent up to now is 64.1 secs Computing kpt #: 158 total cpu time spent up to now is 64.4 secs Computing kpt #: 159 total cpu time spent up to now is 64.8 secs Computing kpt #: 160 total cpu time spent up to now is 65.1 secs Computing kpt #: 161 total cpu time spent up to now is 65.4 secs Computing kpt #: 162 total cpu time spent up to now is 65.8 secs Computing kpt #: 163 total cpu time spent up to now is 66.1 secs Computing kpt #: 164 total cpu time spent up to now is 66.5 secs Computing kpt #: 165 total cpu time spent up to now is 66.8 secs Computing kpt #: 166 total cpu time spent up to now is 67.2 secs Computing kpt #: 167 total cpu time spent up to now is 67.5 secs Computing kpt #: 168 total cpu time spent up to now is 67.8 secs Computing kpt #: 169 total cpu time spent up to now is 68.2 secs Computing kpt #: 170 total cpu time spent up to now is 68.5 secs Computing kpt #: 171 total cpu time spent up to now is 68.8 secs Computing kpt #: 172 total cpu time spent up to now is 69.2 secs Computing kpt #: 173 total cpu time spent up to now is 69.5 secs Computing kpt #: 174 total cpu time spent up to now is 69.8 secs Computing kpt #: 175 total cpu time spent up to now is 70.2 secs Computing kpt #: 176 total cpu time spent up to now is 70.5 secs Computing kpt #: 177 total cpu time spent up to now is 70.8 secs Computing kpt #: 178 total cpu time spent up to now is 71.2 secs Computing kpt #: 179 total cpu time spent up to now is 71.5 secs Computing kpt #: 180 total cpu time spent up to now is 71.8 secs Computing kpt #: 181 total cpu time spent up to now is 72.2 secs Computing kpt #: 182 total cpu time spent up to now is 72.5 secs Computing kpt #: 183 total cpu time spent up to now is 72.8 secs Computing kpt #: 184 total cpu time spent up to now is 73.1 secs Computing kpt #: 185 total cpu time spent up to now is 73.5 secs Computing kpt #: 186 total cpu time spent up to now is 73.8 secs Computing kpt #: 187 total cpu time spent up to now is 74.1 secs Computing kpt #: 188 total cpu time spent up to now is 74.5 secs Computing kpt #: 189 total cpu time spent up to now is 74.8 secs Computing kpt #: 190 total cpu time spent up to now is 75.1 secs Computing kpt #: 191 total cpu time spent up to now is 75.5 secs Computing kpt #: 192 total cpu time spent up to now is 75.8 secs Computing kpt #: 193 total cpu time spent up to now is 76.2 secs Computing kpt #: 194 total cpu time spent up to now is 76.5 secs Computing kpt #: 195 total cpu time spent up to now is 76.8 secs Computing kpt #: 196 total cpu time spent up to now is 77.2 secs Computing kpt #: 197 total cpu time spent up to now is 77.5 secs Computing kpt #: 198 total cpu time spent up to now is 77.9 secs Computing kpt #: 199 total cpu time spent up to now is 78.2 secs Computing kpt #: 200 total cpu time spent up to now is 78.5 secs Computing kpt #: 201 total cpu time spent up to now is 78.9 secs Computing kpt #: 202 total cpu time spent up to now is 79.2 secs Computing kpt #: 203 total cpu time spent up to now is 79.6 secs Computing kpt #: 204 total cpu time spent up to now is 79.9 secs Computing kpt #: 205 total cpu time spent up to now is 80.3 secs Computing kpt #: 206 total cpu time spent up to now is 80.6 secs Computing kpt #: 207 total cpu time spent up to now is 81.0 secs Computing kpt #: 208 total cpu time spent up to now is 81.4 secs Computing kpt #: 209 total cpu time spent up to now is 81.7 secs Computing kpt #: 210 total cpu time spent up to now is 82.1 secs Computing kpt #: 211 total cpu time spent up to now is 82.5 secs Computing kpt #: 212 total cpu time spent up to now is 82.9 secs Computing kpt #: 213 total cpu time spent up to now is 83.3 secs Computing kpt #: 214 total cpu time spent up to now is 83.7 secs Computing kpt #: 215 total cpu time spent up to now is 84.2 secs Computing kpt #: 216 total cpu time spent up to now is 84.6 secs Computing kpt #: 217 total cpu time spent up to now is 85.0 secs Computing kpt #: 218 total cpu time spent up to now is 85.4 secs Computing kpt #: 219 total cpu time spent up to now is 85.9 secs Computing kpt #: 220 total cpu time spent up to now is 86.3 secs Computing kpt #: 221 total cpu time spent up to now is 86.8 secs Computing kpt #: 222 total cpu time spent up to now is 87.2 secs Computing kpt #: 223 total cpu time spent up to now is 87.7 secs Computing kpt #: 224 total cpu time spent up to now is 88.1 secs Computing kpt #: 225 total cpu time spent up to now is 88.6 secs Computing kpt #: 226 total cpu time spent up to now is 89.1 secs Computing kpt #: 227 total cpu time spent up to now is 89.6 secs Computing kpt #: 228 total cpu time spent up to now is 90.0 secs Computing kpt #: 229 total cpu time spent up to now is 90.5 secs Computing kpt #: 230 total cpu time spent up to now is 91.0 secs Computing kpt #: 231 total cpu time spent up to now is 91.5 secs Computing kpt #: 232 total cpu time spent up to now is 91.9 secs Computing kpt #: 233 total cpu time spent up to now is 92.4 secs Computing kpt #: 234 total cpu time spent up to now is 92.8 secs Computing kpt #: 235 total cpu time spent up to now is 93.2 secs Computing kpt #: 236 total cpu time spent up to now is 93.6 secs Computing kpt #: 237 total cpu time spent up to now is 94.1 secs Computing kpt #: 238 total cpu time spent up to now is 94.6 secs Computing kpt #: 239 total cpu time spent up to now is 95.1 secs Computing kpt #: 240 total cpu time spent up to now is 95.6 secs Computing kpt #: 241 total cpu time spent up to now is 96.0 secs Computing kpt #: 242 total cpu time spent up to now is 96.5 secs Computing kpt #: 243 total cpu time spent up to now is 97.0 secs Computing kpt #: 244 total cpu time spent up to now is 97.5 secs Computing kpt #: 245 total cpu time spent up to now is 98.0 secs Computing kpt #: 246 total cpu time spent up to now is 98.5 secs Computing kpt #: 247 total cpu time spent up to now is 99.0 secs Computing kpt #: 248 total cpu time spent up to now is 99.4 secs Computing kpt #: 249 total cpu time spent up to now is 99.8 secs Computing kpt #: 250 total cpu time spent up to now is 100.3 secs Computing kpt #: 251 total cpu time spent up to now is 100.7 secs Computing kpt #: 252 total cpu time spent up to now is 101.1 secs Computing kpt #: 253 total cpu time spent up to now is 101.5 secs Computing kpt #: 254 total cpu time spent up to now is 101.9 secs Computing kpt #: 255 total cpu time spent up to now is 102.3 secs Computing kpt #: 256 total cpu time spent up to now is 102.7 secs Computing kpt #: 257 total cpu time spent up to now is 103.1 secs Computing kpt #: 258 total cpu time spent up to now is 103.5 secs Computing kpt #: 259 total cpu time spent up to now is 103.9 secs Computing kpt #: 260 total cpu time spent up to now is 104.3 secs Computing kpt #: 261 total cpu time spent up to now is 104.7 secs Computing kpt #: 262 total cpu time spent up to now is 105.1 secs Computing kpt #: 263 total cpu time spent up to now is 105.5 secs Computing kpt #: 264 total cpu time spent up to now is 105.9 secs Computing kpt #: 265 total cpu time spent up to now is 106.3 secs Computing kpt #: 266 total cpu time spent up to now is 106.7 secs Computing kpt #: 267 total cpu time spent up to now is 107.1 secs Computing kpt #: 268 total cpu time spent up to now is 107.5 secs Computing kpt #: 269 total cpu time spent up to now is 107.9 secs Computing kpt #: 270 total cpu time spent up to now is 108.3 secs Computing kpt #: 271 total cpu time spent up to now is 108.7 secs Computing kpt #: 272 total cpu time spent up to now is 109.2 secs Computing kpt #: 273 total cpu time spent up to now is 109.6 secs Computing kpt #: 274 total cpu time spent up to now is 110.0 secs Computing kpt #: 275 total cpu time spent up to now is 110.4 secs Computing kpt #: 276 total cpu time spent up to now is 110.8 secs Computing kpt #: 277 total cpu time spent up to now is 111.2 secs Computing kpt #: 278 total cpu time spent up to now is 111.6 secs Computing kpt #: 279 total cpu time spent up to now is 112.0 secs Computing kpt #: 280 total cpu time spent up to now is 112.4 secs Computing kpt #: 281 total cpu time spent up to now is 112.7 secs Computing kpt #: 282 total cpu time spent up to now is 113.1 secs Computing kpt #: 283 total cpu time spent up to now is 113.4 secs Computing kpt #: 284 total cpu time spent up to now is 113.8 secs Computing kpt #: 285 total cpu time spent up to now is 114.1 secs Computing kpt #: 286 total cpu time spent up to now is 114.5 secs Computing kpt #: 287 total cpu time spent up to now is 114.9 secs Computing kpt #: 288 total cpu time spent up to now is 115.2 secs Computing kpt #: 289 total cpu time spent up to now is 115.5 secs Computing kpt #: 290 total cpu time spent up to now is 115.9 secs Computing kpt #: 291 total cpu time spent up to now is 116.2 secs Computing kpt #: 292 total cpu time spent up to now is 116.6 secs Computing kpt #: 293 total cpu time spent up to now is 116.9 secs Computing kpt #: 294 total cpu time spent up to now is 117.2 secs Computing kpt #: 295 total cpu time spent up to now is 117.6 secs Computing kpt #: 296 total cpu time spent up to now is 117.9 secs Computing kpt #: 297 total cpu time spent up to now is 118.3 secs Computing kpt #: 298 total cpu time spent up to now is 118.6 secs Computing kpt #: 299 total cpu time spent up to now is 118.9 secs Computing kpt #: 300 total cpu time spent up to now is 119.3 secs Computing kpt #: 301 total cpu time spent up to now is 119.6 secs Computing kpt #: 302 total cpu time spent up to now is 119.9 secs Computing kpt #: 303 total cpu time spent up to now is 120.3 secs Computing kpt #: 304 total cpu time spent up to now is 120.6 secs Computing kpt #: 305 total cpu time spent up to now is 121.0 secs Computing kpt #: 306 total cpu time spent up to now is 121.3 secs Computing kpt #: 307 total cpu time spent up to now is 121.6 secs Computing kpt #: 308 total cpu time spent up to now is 122.0 secs Computing kpt #: 309 total cpu time spent up to now is 122.3 secs Computing kpt #: 310 total cpu time spent up to now is 122.6 secs Computing kpt #: 311 total cpu time spent up to now is 123.0 secs Computing kpt #: 312 total cpu time spent up to now is 123.3 secs Computing kpt #: 313 total cpu time spent up to now is 123.7 secs Computing kpt #: 314 total cpu time spent up to now is 124.1 secs Computing kpt #: 315 total cpu time spent up to now is 124.4 secs Computing kpt #: 316 total cpu time spent up to now is 124.8 secs Computing kpt #: 317 total cpu time spent up to now is 125.1 secs Computing kpt #: 318 total cpu time spent up to now is 125.5 secs Computing kpt #: 319 total cpu time spent up to now is 125.9 secs Computing kpt #: 320 total cpu time spent up to now is 126.2 secs Computing kpt #: 321 total cpu time spent up to now is 126.6 secs Computing kpt #: 322 total cpu time spent up to now is 127.0 secs Computing kpt #: 323 total cpu time spent up to now is 127.3 secs Computing kpt #: 324 total cpu time spent up to now is 127.7 secs Computing kpt #: 325 total cpu time spent up to now is 128.1 secs Computing kpt #: 326 total cpu time spent up to now is 128.5 secs Computing kpt #: 327 total cpu time spent up to now is 128.9 secs Computing kpt #: 328 total cpu time spent up to now is 129.2 secs Computing kpt #: 329 total cpu time spent up to now is 129.6 secs Computing kpt #: 330 total cpu time spent up to now is 130.0 secs Computing kpt #: 331 total cpu time spent up to now is 130.4 secs Computing kpt #: 332 total cpu time spent up to now is 130.8 secs Computing kpt #: 333 total cpu time spent up to now is 131.2 secs Computing kpt #: 334 total cpu time spent up to now is 131.6 secs Computing kpt #: 335 total cpu time spent up to now is 132.0 secs ethr = 3.13E-08, avg # of iterations = 15.2 total cpu time spent up to now is 132.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5893 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3737 -20.3737 -20.3505 -20.3505 -20.1996 -20.1996 -20.1913 -20.1913 -20.1783 -20.1783 -20.1636 -20.1636 -4.1405 -4.1405 -2.7565 -2.7565 0.2905 0.2905 0.3890 0.3890 0.8068 0.8068 1.2872 1.2872 1.3163 1.3163 1.4778 1.4778 8.0374 8.0374 8.1041 8.1041 8.4242 8.4242 9.8005 9.8005 k = 0.0000 0.0000 0.0157 ( 5905 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3737 -20.3737 -20.3506 -20.3506 -20.1996 -20.1996 -20.1913 -20.1913 -20.1784 -20.1784 -20.1637 -20.1637 -4.1395 -4.1395 -2.7567 -2.7567 0.2899 0.2899 0.3889 0.3889 0.8056 0.8056 1.2831 1.2831 1.3169 1.3169 1.4816 1.4816 8.0397 8.0397 8.0984 8.0984 8.4177 8.4177 9.8016 9.8016 k = 0.0000 0.0000 0.0314 ( 5903 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3737 -20.3737 -20.3506 -20.3506 -20.1995 -20.1995 -20.1913 -20.1913 -20.1784 -20.1784 -20.1637 -20.1637 -4.1364 -4.1364 -2.7573 -2.7573 0.2883 0.2883 0.3887 0.3887 0.8021 0.8021 1.2721 1.2721 1.3182 1.3182 1.4922 1.4922 8.0435 8.0435 8.0845 8.0845 8.3981 8.3981 9.8050 9.8050 k = 0.0000 0.0000 0.0472 ( 5903 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3736 -20.3736 -20.3507 -20.3507 -20.1995 -20.1995 -20.1912 -20.1912 -20.1785 -20.1785 -20.1637 -20.1637 -4.1312 -4.1312 -2.7583 -2.7583 0.2856 0.2856 0.3885 0.3885 0.7962 0.7962 1.2567 1.2567 1.3195 1.3195 1.5077 1.5077 8.0299 8.0299 8.0822 8.0822 8.3658 8.3658 9.8108 9.8108 k = 0.0000 0.0000 0.0629 ( 5913 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3736 -20.3736 -20.3508 -20.3508 -20.1995 -20.1995 -20.1911 -20.1911 -20.1787 -20.1787 -20.1637 -20.1637 -4.1240 -4.1240 -2.7596 -2.7596 0.2816 0.2816 0.3882 0.3882 0.7882 0.7882 1.2387 1.2387 1.3208 1.3208 1.5264 1.5264 7.9911 7.9911 8.1006 8.1006 8.3212 8.3212 9.8193 9.8193 k = 0.0000 0.0000 0.0786 ( 5919 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3736 -20.3736 -20.3509 -20.3509 -20.1995 -20.1995 -20.1911 -20.1911 -20.1788 -20.1788 -20.1638 -20.1638 -4.1148 -4.1148 -2.7614 -2.7614 0.2764 0.2764 0.3879 0.3879 0.7781 0.7781 1.2193 1.2193 1.3222 1.3222 1.5467 1.5467 7.9393 7.9393 8.1289 8.1289 8.2649 8.2649 9.8307 9.8307 k = 0.0000 0.0000 0.0943 ( 5915 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3735 -20.3735 -20.3510 -20.3510 -20.1995 -20.1995 -20.1909 -20.1909 -20.1790 -20.1790 -20.1638 -20.1638 -4.1036 -4.1036 -2.7636 -2.7636 0.2697 0.2697 0.3877 0.3877 0.7663 0.7663 1.1994 1.1994 1.3236 1.3236 1.5678 1.5678 7.8786 7.8786 8.1644 8.1644 8.1981 8.1981 9.8452 9.8452 k = 0.0000 0.0000 0.1101 ( 5911 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3734 -20.3734 -20.3511 -20.3511 -20.1995 -20.1995 -20.1908 -20.1908 -20.1791 -20.1791 -20.1638 -20.1638 -4.0903 -4.0903 -2.7661 -2.7661 0.2616 0.2616 0.3877 0.3877 0.7528 0.7528 1.1794 1.1794 1.3252 1.3252 1.5890 1.5890 7.8110 7.8110 8.1220 8.1220 8.2062 8.2062 9.8627 9.8627 k = 0.0000 0.0000 0.1258 ( 5909 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3733 -20.3733 -20.3512 -20.3512 -20.1994 -20.1994 -20.1905 -20.1905 -20.1794 -20.1794 -20.1639 -20.1639 -4.0752 -4.0752 -2.7690 -2.7690 0.2519 0.2519 0.3877 0.3877 0.7381 0.7381 1.1597 1.1597 1.3270 1.3270 1.6099 1.6099 7.7378 7.7378 8.0380 8.0380 8.2539 8.2539 9.8830 9.8830 k = 0.0000 0.0000 0.1415 ( 5913 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3732 -20.3732 -20.3514 -20.3514 -20.1994 -20.1994 -20.1904 -20.1904 -20.1796 -20.1796 -20.1639 -20.1639 -4.0581 -4.0581 -2.7722 -2.7722 0.2404 0.2404 0.3881 0.3881 0.7223 0.7223 1.1403 1.1403 1.3289 1.3289 1.6302 1.6302 7.6603 7.6603 7.9477 7.9477 8.3073 8.3073 9.9053 9.9053 k = 0.0000 0.0000 0.1572 ( 5911 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3731 -20.3731 -20.3516 -20.3516 -20.1994 -20.1994 -20.1901 -20.1901 -20.1799 -20.1799 -20.1639 -20.1639 -4.0392 -4.0392 -2.7758 -2.7758 0.2273 0.2273 0.3886 0.3886 0.7058 0.7058 1.1214 1.1214 1.3309 1.3309 1.6495 1.6495 7.5793 7.5793 7.8525 7.8525 8.3658 8.3658 9.9268 9.9268 k = 0.0000 0.0000 0.1729 ( 5905 PWs) bands (ev): -48.3165 -48.3165 -48.3130 -48.3130 -20.3730 -20.3730 -20.3517 -20.3517 -20.1994 -20.1994 -20.1898 -20.1898 -20.1802 -20.1802 -20.1639 -20.1639 -4.0184 -4.0184 -2.7797 -2.7797 0.2123 0.2123 0.3894 0.3894 0.6889 0.6889 1.1030 1.1030 1.3330 1.3330 1.6677 1.6677 7.4954 7.4954 7.7540 7.7540 8.4292 8.4292 9.9373 9.9373 k = 0.0000 0.0000 0.1887 ( 5905 PWs) bands (ev): -48.3164 -48.3164 -48.3130 -48.3130 -20.3729 -20.3729 -20.3519 -20.3519 -20.1994 -20.1994 -20.1895 -20.1895 -20.1805 -20.1805 -20.1640 -20.1640 -3.9959 -3.9959 -2.7839 -2.7839 0.1956 0.1956 0.3905 0.3905 0.6718 0.6718 1.0850 1.0850 1.3353 1.3353 1.6848 1.6848 7.4093 7.4093 7.6534 7.6534 8.4969 8.4969 9.9174 9.9174 k = 0.0000 0.0000 0.2044 ( 5905 PWs) bands (ev): -48.3164 -48.3164 -48.3130 -48.3130 -20.3727 -20.3727 -20.3522 -20.3522 -20.1994 -20.1994 -20.1892 -20.1892 -20.1809 -20.1809 -20.1640 -20.1640 -3.9716 -3.9716 -2.7884 -2.7884 0.1771 0.1771 0.3918 0.3918 0.6549 0.6549 1.0674 1.0674 1.3376 1.3376 1.7004 1.7004 7.3212 7.3212 7.5522 7.5522 8.5686 8.5686 9.8736 9.8736 k = 0.0000 0.0000 0.2201 ( 5913 PWs) bands (ev): -48.3164 -48.3164 -48.3130 -48.3130 -20.3726 -20.3726 -20.3524 -20.3524 -20.1994 -20.1994 -20.1889 -20.1889 -20.1813 -20.1813 -20.1641 -20.1641 -3.9458 -3.9458 -2.7931 -2.7931 0.1569 0.1569 0.3934 0.3934 0.6382 0.6382 1.0501 1.0501 1.3400 1.3400 1.7147 1.7147 7.2314 7.2314 7.4516 7.4516 8.6435 8.6435 9.8224 9.8224 k = 0.0000 0.0000 0.2358 ( 5917 PWs) bands (ev): -48.3164 -48.3164 -48.3130 -48.3130 -20.3725 -20.3725 -20.3527 -20.3527 -20.1995 -20.1995 -20.1886 -20.1886 -20.1817 -20.1817 -20.1641 -20.1641 -3.9184 -3.9184 -2.7981 -2.7981 0.1352 0.1352 0.3953 0.3953 0.6219 0.6219 1.0331 1.0331 1.3426 1.3426 1.7274 1.7274 7.1402 7.1402 7.3525 7.3525 8.7213 8.7213 9.7693 9.7693 k = 0.0000 0.0000 0.2516 ( 5920 PWs) bands (ev): -48.3164 -48.3164 -48.3131 -48.3131 -20.3724 -20.3724 -20.3529 -20.3529 -20.1995 -20.1995 -20.1882 -20.1882 -20.1820 -20.1820 -20.1641 -20.1641 -3.8896 -3.8896 -2.8033 -2.8033 0.1120 0.1120 0.3975 0.3975 0.6061 0.6061 1.0164 1.0164 1.3452 1.3452 1.7387 1.7387 7.0478 7.0478 7.2559 7.2559 8.8012 8.8012 9.7162 9.7162 k = 0.0000 0.0000 0.2673 ( 5918 PWs) bands (ev): -48.3163 -48.3163 -48.3131 -48.3131 -20.3722 -20.3722 -20.3532 -20.3532 -20.1995 -20.1995 -20.1878 -20.1878 -20.1825 -20.1825 -20.1641 -20.1641 -3.8593 -3.8593 -2.8087 -2.8087 0.0875 0.0875 0.3999 0.3999 0.5909 0.5909 0.9998 0.9998 1.3478 1.3478 1.7483 1.7483 6.9547 6.9547 7.1623 7.1623 8.8826 8.8826 9.6640 9.6640 k = 0.0000 0.0000 0.2830 ( 5922 PWs) bands (ev): -48.3163 -48.3163 -48.3131 -48.3131 -20.3721 -20.3721 -20.3534 -20.3534 -20.1996 -20.1996 -20.1874 -20.1874 -20.1829 -20.1829 -20.1641 -20.1641 -3.8279 -3.8279 -2.8142 -2.8142 0.0618 0.0618 0.4026 0.4026 0.5763 0.5763 0.9834 0.9834 1.3506 1.3506 1.7564 1.7564 6.8613 6.8613 7.0722 7.0722 8.9647 8.9647 9.6129 9.6129 k = 0.0000 0.0000 0.2987 ( 5918 PWs) bands (ev): -48.3163 -48.3163 -48.3131 -48.3131 -20.3720 -20.3720 -20.3537 -20.3537 -20.1996 -20.1996 -20.1870 -20.1870 -20.1833 -20.1833 -20.1641 -20.1641 -3.7953 -3.7953 -2.8198 -2.8198 0.0352 0.0352 0.4054 0.4054 0.5623 0.5623 0.9672 0.9672 1.3534 1.3534 1.7630 1.7630 6.7683 6.7683 6.9855 6.9855 9.0469 9.0469 9.5632 9.5632 k = 0.0000 0.0000 0.3145 ( 5922 PWs) bands (ev): -48.3163 -48.3163 -48.3132 -48.3132 -20.3718 -20.3718 -20.3540 -20.3540 -20.1997 -20.1997 -20.1866 -20.1866 -20.1838 -20.1838 -20.1641 -20.1641 -3.7616 -3.7616 -2.8254 -2.8254 0.0077 0.0077 0.4086 0.4086 0.5489 0.5489 0.9510 0.9510 1.3562 1.3562 1.7681 1.7681 6.6763 6.6763 6.9024 6.9024 9.1284 9.1284 9.5153 9.5153 k = 0.0000 0.0000 0.3302 ( 5926 PWs) bands (ev): -48.3162 -48.3162 -48.3132 -48.3132 -20.3717 -20.3717 -20.3543 -20.3543 -20.1997 -20.1997 -20.1862 -20.1862 -20.1842 -20.1842 -20.1642 -20.1642 -3.7271 -3.7271 -2.8311 -2.8311 -0.0204 -0.0204 0.4118 0.4118 0.5360 0.5360 0.9349 0.9349 1.3591 1.3591 1.7717 1.7717 6.5860 6.5860 6.8228 6.8228 9.2084 9.2084 9.4692 9.4692 k = 0.0000 0.0000 0.3459 ( 5914 PWs) bands (ev): -48.3162 -48.3162 -48.3132 -48.3132 -20.3715 -20.3715 -20.3546 -20.3546 -20.1997 -20.1997 -20.1857 -20.1857 -20.1846 -20.1846 -20.1641 -20.1641 -3.6919 -3.6919 -2.8368 -2.8368 -0.0489 -0.0489 0.4153 0.4153 0.5239 0.5239 0.9189 0.9189 1.3619 1.3619 1.7739 1.7739 6.4980 6.4980 6.7465 6.7465 9.2859 9.2859 9.4255 9.4255 k = 0.0000 0.0000 0.3616 ( 5908 PWs) bands (ev): -48.3162 -48.3162 -48.3132 -48.3132 -20.3713 -20.3713 -20.3548 -20.3548 -20.1997 -20.1997 -20.1852 -20.1852 -20.1851 -20.1851 -20.1641 -20.1641 -3.6561 -3.6561 -2.8423 -2.8423 -0.0778 -0.0778 0.4188 0.4188 0.5124 0.5124 0.9029 0.9029 1.3648 1.3648 1.7748 1.7748 6.4128 6.4128 6.6734 6.6734 9.3533 9.3533 9.3912 9.3912 k = 0.0000 0.0000 0.3773 ( 5908 PWs) bands (ev): -48.3162 -48.3162 -48.3132 -48.3132 -20.3712 -20.3712 -20.3551 -20.3551 -20.1998 -20.1998 -20.1855 -20.1855 -20.1848 -20.1848 -20.1641 -20.1641 -3.6199 -3.6199 -2.8477 -2.8477 -0.1068 -0.1068 0.4222 0.4222 0.5017 0.5017 0.8871 0.8871 1.3677 1.3677 1.7745 1.7745 6.3308 6.3308 6.6036 6.6036 9.3369 9.3369 9.4397 9.4397 k = 0.0000 0.0000 0.3931 ( 5912 PWs) bands (ev): -48.3161 -48.3161 -48.3133 -48.3133 -20.3711 -20.3711 -20.3554 -20.3554 -20.1999 -20.1999 -20.1859 -20.1859 -20.1843 -20.1843 -20.1641 -20.1641 -3.5836 -3.5836 -2.8530 -2.8530 -0.1358 -0.1358 0.4253 0.4253 0.4920 0.4920 0.8713 0.8713 1.3705 1.3705 1.7731 1.7731 6.2525 6.2525 6.5369 6.5369 9.2996 9.2996 9.5077 9.5077 k = 0.0000 0.0000 0.4088 ( 5922 PWs) bands (ev): -48.3161 -48.3161 -48.3133 -48.3133 -20.3710 -20.3710 -20.3557 -20.3557 -20.2000 -20.2000 -20.1864 -20.1864 -20.1839 -20.1839 -20.1641 -20.1641 -3.5473 -3.5473 -2.8579 -2.8579 -0.1647 -0.1647 0.4276 0.4276 0.4838 0.4838 0.8555 0.8555 1.3733 1.3733 1.7706 1.7706 6.1781 6.1781 6.4734 6.4734 9.2632 9.2632 9.5732 9.5732 k = 0.0000 0.0000 0.4245 ( 5926 PWs) bands (ev): -48.3161 -48.3161 -48.3133 -48.3133 -20.3709 -20.3709 -20.3560 -20.3560 -20.2001 -20.2001 -20.1868 -20.1868 -20.1835 -20.1835 -20.1641 -20.1641 -3.5113 -3.5113 -2.8625 -2.8625 -0.1934 -0.1934 0.4284 0.4284 0.4778 0.4778 0.8399 0.8399 1.3760 1.3760 1.7674 1.7674 6.1078 6.1078 6.4131 6.4131 9.2286 9.2286 9.6350 9.6350 k = 0.0000 0.0000 0.4402 ( 5924 PWs) bands (ev): -48.3161 -48.3161 -48.3133 -48.3133 -20.3708 -20.3708 -20.3563 -20.3563 -20.2001 -20.2001 -20.1872 -20.1872 -20.1831 -20.1831 -20.1641 -20.1641 -3.4758 -3.4758 -2.8667 -2.8667 -0.2216 -0.2216 0.4270 0.4270 0.4747 0.4747 0.8244 0.8244 1.3786 1.3786 1.7634 1.7634 6.0417 6.0417 6.3560 6.3560 9.1960 9.1960 9.6931 9.6931 k = 0.0000 0.0000 0.4560 ( 5920 PWs) bands (ev): -48.3160 -48.3160 -48.3134 -48.3134 -20.3706 -20.3706 -20.3565 -20.3565 -20.2002 -20.2002 -20.1876 -20.1876 -20.1826 -20.1826 -20.1641 -20.1641 -3.4411 -3.4411 -2.8705 -2.8705 -0.2493 -0.2493 0.4231 0.4231 0.4749 0.4749 0.8090 0.8090 1.3810 1.3810 1.7588 1.7588 5.9800 5.9800 6.3022 6.3022 9.1654 9.1654 9.7473 9.7473 k = 0.0000 0.0000 0.4717 ( 5920 PWs) bands (ev): -48.3160 -48.3160 -48.3134 -48.3134 -20.3705 -20.3705 -20.3568 -20.3568 -20.2003 -20.2003 -20.1880 -20.1880 -20.1822 -20.1822 -20.1641 -20.1641 -3.4075 -3.4075 -2.8736 -2.8736 -0.2764 -0.2764 0.4173 0.4173 0.4776 0.4776 0.7937 0.7937 1.3833 1.3833 1.7538 1.7538 5.9227 5.9227 6.2517 6.2517 9.1368 9.1368 9.7976 9.7976 k = 0.0000 0.0000 0.4874 ( 5924 PWs) bands (ev): -48.3160 -48.3160 -48.3134 -48.3134 -20.3704 -20.3704 -20.3570 -20.3570 -20.2003 -20.2003 -20.1883 -20.1883 -20.1819 -20.1819 -20.1641 -20.1641 -3.3753 -3.3753 -2.8762 -2.8762 -0.3025 -0.3025 0.4106 0.4106 0.4822 0.4822 0.7786 0.7786 1.3855 1.3855 1.7486 1.7486 5.8700 5.8700 6.2046 6.2046 9.1104 9.1104 9.8441 9.8441 k = 0.0000 0.0000 0.5031 ( 5920 PWs) bands (ev): -48.3160 -48.3160 -48.3134 -48.3134 -20.3703 -20.3703 -20.3573 -20.3573 -20.2004 -20.2004 -20.1886 -20.1886 -20.1816 -20.1816 -20.1640 -20.1640 -3.3447 -3.3447 -2.8781 -2.8781 -0.3277 -0.3277 0.4035 0.4035 0.4880 0.4880 0.7638 0.7638 1.3874 1.3874 1.7432 1.7432 5.8217 5.8217 6.1610 6.1610 9.0860 9.0860 9.8868 9.8868 k = 0.0000 0.0000 0.5188 ( 5916 PWs) bands (ev): -48.3160 -48.3160 -48.3134 -48.3134 -20.3702 -20.3702 -20.3575 -20.3575 -20.2004 -20.2004 -20.1889 -20.1889 -20.1812 -20.1812 -20.1640 -20.1640 -3.3161 -3.3161 -2.8793 -2.8793 -0.3516 -0.3516 0.3964 0.3964 0.4946 0.4946 0.7492 0.7492 1.3892 1.3892 1.7379 1.7379 5.7778 5.7778 6.1208 6.1208 9.0638 9.0638 9.9259 9.9259 k = 0.0000 0.0000 0.5346 ( 5902 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3701 -20.3701 -20.3576 -20.3576 -20.2004 -20.2004 -20.1892 -20.1892 -20.1809 -20.1809 -20.1640 -20.1640 -3.2897 -3.2897 -2.8797 -2.8797 -0.3741 -0.3741 0.3896 0.3896 0.5018 0.5018 0.7349 0.7349 1.3907 1.3907 1.7327 1.7327 5.7385 5.7385 6.0843 6.0843 9.0437 9.0437 9.9613 9.9613 k = 0.0000 0.0000 0.5503 ( 5898 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3700 -20.3700 -20.3578 -20.3578 -20.2004 -20.2004 -20.1894 -20.1894 -20.1805 -20.1805 -20.1640 -20.1640 -3.2658 -3.2658 -2.8795 -2.8795 -0.3950 -0.3950 0.3832 0.3832 0.5094 0.5094 0.7209 0.7209 1.3920 1.3920 1.7277 1.7277 5.7034 5.7034 6.0514 6.0514 9.0256 9.0256 9.9930 9.9930 k = 0.0000 0.0000 0.5660 ( 5902 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3699 -20.3699 -20.3580 -20.3580 -20.2005 -20.2005 -20.1897 -20.1897 -20.1802 -20.1802 -20.1640 -20.1640 -3.2446 -3.2446 -2.8785 -2.8785 -0.4141 -0.4141 0.3773 0.3773 0.5174 0.5174 0.7074 0.7074 1.3932 1.3932 1.7232 1.7232 5.6727 5.6727 6.0222 6.0222 9.0097 9.0097 10.0211 10.0211 k = 0.0000 0.0000 0.5817 ( 5906 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3699 -20.3699 -20.3582 -20.3582 -20.2005 -20.2005 -20.1899 -20.1899 -20.1800 -20.1800 -20.1640 -20.1640 -3.2263 -3.2263 -2.8771 -2.8771 -0.4312 -0.4312 0.3720 0.3720 0.5256 0.5256 0.6944 0.6944 1.3941 1.3941 1.7191 1.7191 5.6463 5.6463 5.9968 5.9968 8.9960 8.9960 10.0456 10.0456 k = 0.0000 0.0000 0.5975 ( 5908 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3698 -20.3698 -20.3583 -20.3583 -20.2005 -20.2005 -20.1901 -20.1901 -20.1798 -20.1798 -20.1640 -20.1640 -3.2108 -3.2108 -2.8753 -2.8753 -0.4461 -0.4461 0.3675 0.3675 0.5339 0.5339 0.6821 0.6821 1.3949 1.3949 1.7155 1.7155 5.6241 5.6241 5.9752 5.9752 8.9843 8.9843 10.0664 10.0664 k = 0.0000 0.0000 0.6132 ( 5900 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3698 -20.3698 -20.3584 -20.3584 -20.2006 -20.2006 -20.1902 -20.1902 -20.1797 -20.1797 -20.1639 -20.1639 -3.1983 -3.1983 -2.8733 -2.8733 -0.4586 -0.4586 0.3637 0.3637 0.5419 0.5419 0.6708 0.6708 1.3955 1.3955 1.7125 1.7125 5.6060 5.6060 5.9574 5.9574 8.9748 8.9748 10.0836 10.0836 k = 0.0000 0.0000 0.6289 ( 5900 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3697 -20.3697 -20.3585 -20.3585 -20.2006 -20.2006 -20.1904 -20.1904 -20.1796 -20.1796 -20.1639 -20.1639 -3.1887 -3.1887 -2.8715 -2.8715 -0.4685 -0.4685 0.3607 0.3607 0.5494 0.5494 0.6607 0.6607 1.3959 1.3959 1.7101 1.7101 5.5920 5.5920 5.9436 5.9436 8.9673 8.9673 10.0969 10.0969 k = 0.0000 0.0000 0.6446 ( 5912 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3698 -20.3698 -20.3585 -20.3585 -20.2006 -20.2006 -20.1904 -20.1904 -20.1795 -20.1795 -20.1639 -20.1639 -3.1819 -3.1819 -2.8700 -2.8700 -0.4757 -0.4757 0.3585 0.3585 0.5558 0.5558 0.6525 0.6525 1.3962 1.3962 1.7083 1.7083 5.5820 5.5820 5.9337 5.9337 8.9620 8.9620 10.1065 10.1065 k = 0.0000 0.0000 0.6603 ( 5920 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3698 -20.3698 -20.3586 -20.3586 -20.2007 -20.2007 -20.1905 -20.1905 -20.1795 -20.1795 -20.1639 -20.1639 -3.1778 -3.1778 -2.8690 -2.8690 -0.4800 -0.4800 0.3572 0.3572 0.5602 0.5602 0.6470 0.6470 1.3964 1.3964 1.7073 1.7073 5.5760 5.5760 5.9277 5.9277 8.9589 8.9589 10.1123 10.1123 k = 0.0000 0.0000 0.6761 ( 5926 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3698 -20.3698 -20.3586 -20.3586 -20.2007 -20.2007 -20.1905 -20.1905 -20.1795 -20.1795 -20.1639 -20.1639 -3.1765 -3.1765 -2.8686 -2.8686 -0.4815 -0.4815 0.3568 0.3568 0.5618 0.5618 0.6450 0.6450 1.3964 1.3964 1.7070 1.7070 5.5740 5.5740 5.9257 5.9257 8.9578 8.9578 10.1142 10.1142 k = 0.0000 0.0000 0.6761 ( 5926 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3698 -20.3698 -20.3586 -20.3586 -20.2007 -20.2007 -20.1905 -20.1905 -20.1795 -20.1795 -20.1639 -20.1639 -3.1765 -3.1765 -2.8686 -2.8686 -0.4815 -0.4815 0.3568 0.3568 0.5618 0.5618 0.6450 0.6450 1.3964 1.3964 1.7070 1.7070 5.5740 5.5740 5.9257 5.9257 8.9578 8.9578 10.1142 10.1142 k =-0.0116 0.0106 0.6761 ( 5928 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3698 -20.3698 -20.3586 -20.3586 -20.2007 -20.2007 -20.1906 -20.1906 -20.1795 -20.1795 -20.1639 -20.1639 -3.1764 -3.1764 -2.8687 -2.8687 -0.4809 -0.4809 0.3568 0.3568 0.5617 0.5617 0.6440 0.6440 1.3967 1.3967 1.7080 1.7080 5.5774 5.5774 5.9209 5.9209 8.9643 8.9643 10.1104 10.1104 k =-0.0232 0.0211 0.6761 ( 5916 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3697 -20.3697 -20.3586 -20.3586 -20.2006 -20.2006 -20.1906 -20.1906 -20.1794 -20.1794 -20.1640 -20.1640 -3.1761 -3.1761 -2.8688 -2.8688 -0.4793 -0.4793 0.3568 0.3568 0.5616 0.5616 0.6411 0.6411 1.3973 1.3973 1.7110 1.7110 5.5877 5.5877 5.9064 5.9064 8.9835 8.9835 10.0987 10.0987 k =-0.0348 0.0317 0.6761 ( 5916 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3697 -20.3697 -20.3587 -20.3587 -20.2005 -20.2005 -20.1906 -20.1906 -20.1794 -20.1794 -20.1640 -20.1640 -3.1757 -3.1757 -2.8690 -2.8690 -0.4767 -0.4767 0.3568 0.3568 0.5613 0.5613 0.6363 0.6363 1.3984 1.3984 1.7159 1.7159 5.6047 5.6047 5.8827 5.8827 9.0151 9.0151 10.0795 10.0795 k =-0.0464 0.0423 0.6761 ( 5912 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3697 -20.3697 -20.3587 -20.3587 -20.2005 -20.2005 -20.1907 -20.1907 -20.1794 -20.1794 -20.1640 -20.1640 -3.1753 -3.1753 -2.8691 -2.8691 -0.4729 -0.4729 0.3568 0.3568 0.5608 0.5608 0.6301 0.6301 1.3998 1.3998 1.7226 1.7226 5.6283 5.6283 5.8507 5.8507 9.0585 9.0585 10.0529 10.0529 k =-0.0580 0.0528 0.6761 ( 5914 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3696 -20.3696 -20.3588 -20.3588 -20.2004 -20.2004 -20.1908 -20.1908 -20.1794 -20.1794 -20.1641 -20.1641 -3.1748 -3.1748 -2.8692 -2.8692 -0.4682 -0.4682 0.3566 0.3566 0.5599 0.5599 0.6228 0.6228 1.4015 1.4015 1.7310 1.7310 5.6577 5.6577 5.8115 5.8115 9.1128 9.1128 10.0192 10.0192 k =-0.0697 0.0634 0.6761 ( 5910 PWs) bands (ev): -48.3158 -48.3158 -48.3135 -48.3135 -20.3695 -20.3695 -20.3588 -20.3588 -20.2003 -20.2003 -20.1909 -20.1909 -20.1793 -20.1793 -20.1641 -20.1641 -3.1744 -3.1744 -2.8692 -2.8692 -0.4624 -0.4624 0.3564 0.3564 0.5585 0.5585 0.6149 0.6149 1.4036 1.4036 1.7407 1.7407 5.6900 5.6900 5.7692 5.7692 9.1771 9.1771 9.9787 9.9787 k =-0.0813 0.0740 0.6761 ( 5922 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3695 -20.3695 -20.3590 -20.3590 -20.2003 -20.2003 -20.1910 -20.1910 -20.1793 -20.1793 -20.1642 -20.1642 -3.1742 -3.1742 -2.8688 -2.8688 -0.4556 -0.4556 0.3560 0.3560 0.5562 0.5562 0.6072 0.6072 1.4058 1.4058 1.7516 1.7516 5.6920 5.6920 5.7573 5.7573 9.2506 9.2506 9.9319 9.9319 k =-0.0929 0.0845 0.6761 ( 5926 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3695 -20.3695 -20.3590 -20.3590 -20.2002 -20.2002 -20.1911 -20.1911 -20.1792 -20.1792 -20.1643 -20.1643 -3.1744 -3.1744 -2.8681 -2.8681 -0.4478 -0.4478 0.3554 0.3554 0.5527 0.5527 0.6003 0.6003 1.4082 1.4082 1.7635 1.7635 5.6417 5.6417 5.7990 5.7990 9.3320 9.3320 9.8791 9.8791 k =-0.1045 0.0951 0.6761 ( 5922 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3694 -20.3694 -20.3591 -20.3591 -20.2001 -20.2001 -20.1913 -20.1913 -20.1791 -20.1791 -20.1644 -20.1644 -3.1750 -3.1750 -2.8668 -2.8668 -0.4390 -0.4390 0.3545 0.3545 0.5477 0.5477 0.5949 0.5949 1.4108 1.4108 1.7760 1.7760 5.5801 5.5801 5.8536 5.8536 9.4204 9.4204 9.8209 9.8209 k =-0.1161 0.1057 0.6761 ( 5922 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3692 -20.3692 -20.3593 -20.3593 -20.1999 -20.1999 -20.1915 -20.1915 -20.1790 -20.1790 -20.1646 -20.1646 -3.1762 -3.1762 -2.8649 -2.8649 -0.4293 -0.4293 0.3533 0.3533 0.5414 0.5414 0.5913 0.5913 1.4136 1.4136 1.7890 1.7890 5.5138 5.5138 5.9154 5.9154 9.5144 9.5144 9.7577 9.7577 k =-0.1277 0.1162 0.6761 ( 5930 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3692 -20.3692 -20.3594 -20.3594 -20.1998 -20.1998 -20.1917 -20.1917 -20.1789 -20.1789 -20.1647 -20.1647 -3.1781 -3.1781 -2.8622 -2.8622 -0.4187 -0.4187 0.3518 0.3518 0.5342 0.5342 0.5891 0.5891 1.4164 1.4164 1.8023 1.8023 5.4442 5.4442 5.9832 5.9832 9.6095 9.6095 9.6922 9.6922 k =-0.1393 0.1268 0.6761 ( 5926 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3690 -20.3690 -20.3596 -20.3596 -20.1996 -20.1996 -20.1919 -20.1919 -20.1788 -20.1788 -20.1648 -20.1648 -3.1808 -3.1808 -2.8587 -2.8587 -0.4072 -0.4072 0.3499 0.3499 0.5268 0.5268 0.5881 0.5881 1.4194 1.4194 1.8156 1.8156 5.3723 5.3723 6.0565 6.0565 9.6060 9.6060 9.7140 9.7140 k =-0.1509 0.1373 0.6761 ( 5922 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3689 -20.3689 -20.3597 -20.3597 -20.1995 -20.1995 -20.1920 -20.1920 -20.1787 -20.1787 -20.1649 -20.1649 -3.1844 -3.1844 -2.8543 -2.8543 -0.3949 -0.3949 0.3477 0.3477 0.5196 0.5196 0.5879 0.5879 1.4225 1.4225 1.8288 1.8288 5.2987 5.2987 6.1351 6.1351 9.5198 9.5198 9.6722 9.6722 k =-0.1625 0.1479 0.6761 ( 5922 PWs) bands (ev): -48.3157 -48.3157 -48.3137 -48.3137 -20.3688 -20.3688 -20.3598 -20.3598 -20.1994 -20.1994 -20.1923 -20.1923 -20.1786 -20.1786 -20.1650 -20.1650 -3.1889 -3.1889 -2.8489 -2.8489 -0.3817 -0.3817 0.3452 0.3452 0.5131 0.5131 0.5883 0.5883 1.4257 1.4257 1.8417 1.8417 5.2239 5.2239 6.2184 6.2184 9.4047 9.4047 9.5438 9.5438 k =-0.1741 0.1585 0.6761 ( 5916 PWs) bands (ev): -48.3157 -48.3157 -48.3137 -48.3137 -20.3687 -20.3687 -20.3600 -20.3600 -20.1992 -20.1992 -20.1925 -20.1925 -20.1784 -20.1784 -20.1651 -20.1651 -3.1944 -3.1944 -2.8425 -2.8425 -0.3678 -0.3678 0.3426 0.3426 0.5074 0.5074 0.5891 0.5891 1.4290 1.4290 1.8543 1.8543 5.1484 5.1484 6.3059 6.3059 9.2579 9.2579 9.4421 9.4421 k =-0.1857 0.1690 0.6761 ( 5912 PWs) bands (ev): -48.3157 -48.3157 -48.3137 -48.3137 -20.3685 -20.3685 -20.3602 -20.3602 -20.1990 -20.1990 -20.1928 -20.1928 -20.1782 -20.1782 -20.1652 -20.1652 -3.2008 -3.2008 -2.8352 -2.8352 -0.3532 -0.3532 0.3400 0.3400 0.5026 0.5026 0.5902 0.5902 1.4325 1.4325 1.8663 1.8663 5.0728 5.0728 6.3973 6.3973 9.0983 9.0983 9.3551 9.3551 k =-0.1974 0.1796 0.6761 ( 5912 PWs) bands (ev): -48.3157 -48.3157 -48.3137 -48.3137 -20.3684 -20.3684 -20.3603 -20.3603 -20.1989 -20.1989 -20.1930 -20.1930 -20.1781 -20.1781 -20.1653 -20.1653 -3.2081 -3.2081 -2.8270 -2.8270 -0.3378 -0.3378 0.3376 0.3376 0.4986 0.4986 0.5916 0.5916 1.4360 1.4360 1.8777 1.8777 4.9972 4.9972 6.4918 6.4918 8.9375 8.9375 9.2730 9.2730 k =-0.2090 0.1902 0.6761 ( 5896 PWs) bands (ev): -48.3156 -48.3156 -48.3137 -48.3137 -20.3683 -20.3683 -20.3604 -20.3604 -20.1987 -20.1987 -20.1932 -20.1932 -20.1779 -20.1779 -20.1653 -20.1653 -3.2163 -3.2163 -2.8180 -2.8180 -0.3218 -0.3218 0.3356 0.3356 0.4954 0.4954 0.5933 0.5933 1.4397 1.4397 1.8885 1.8885 4.9221 4.9221 6.5887 6.5887 8.7799 8.7799 9.1932 9.1932 k =-0.2206 0.2007 0.6761 ( 5896 PWs) bands (ev): -48.3156 -48.3156 -48.3137 -48.3137 -20.3681 -20.3681 -20.3606 -20.3606 -20.1986 -20.1986 -20.1935 -20.1935 -20.1777 -20.1777 -20.1655 -20.1655 -3.2251 -3.2251 -2.8083 -2.8083 -0.3051 -0.3051 0.3341 0.3341 0.4928 0.4928 0.5951 0.5951 1.4435 1.4435 1.8986 1.8986 4.8477 4.8477 6.6868 6.6868 8.6277 8.6277 9.1148 9.1148 k =-0.2322 0.2113 0.6761 ( 5896 PWs) bands (ev): -48.3156 -48.3156 -48.3138 -48.3138 -20.3680 -20.3680 -20.3608 -20.3608 -20.1985 -20.1985 -20.1938 -20.1938 -20.1774 -20.1774 -20.1656 -20.1656 -3.2347 -3.2347 -2.7979 -2.7979 -0.2878 -0.2878 0.3333 0.3333 0.4908 0.4908 0.5971 0.5971 1.4474 1.4474 1.9078 1.9078 4.7744 4.7744 6.7847 6.7847 8.4827 8.4827 9.0380 9.0380 k =-0.2438 0.2219 0.6761 ( 5906 PWs) bands (ev): -48.3156 -48.3156 -48.3138 -48.3138 -20.3679 -20.3679 -20.3611 -20.3611 -20.1983 -20.1983 -20.1942 -20.1942 -20.1773 -20.1773 -20.1657 -20.1657 -3.2447 -3.2447 -2.7871 -2.7871 -0.2699 -0.2699 0.3333 0.3333 0.4892 0.4892 0.5993 0.5993 1.4513 1.4513 1.9163 1.9163 4.7024 4.7024 6.8803 6.8803 8.3471 8.3471 8.9628 8.9628 k =-0.2554 0.2324 0.6761 ( 5902 PWs) bands (ev): -48.3156 -48.3156 -48.3138 -48.3138 -20.3678 -20.3678 -20.3612 -20.3612 -20.1982 -20.1982 -20.1945 -20.1945 -20.1770 -20.1770 -20.1657 -20.1657 -3.2552 -3.2552 -2.7758 -2.7758 -0.2515 -0.2515 0.3341 0.3341 0.4879 0.4879 0.6016 0.6016 1.4554 1.4554 1.9239 1.9239 4.6318 4.6318 6.9704 6.9704 8.2242 8.2242 8.8897 8.8897 k =-0.2670 0.2430 0.6761 ( 5892 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3677 -20.3677 -20.3614 -20.3614 -20.1981 -20.1981 -20.1947 -20.1947 -20.1768 -20.1768 -20.1658 -20.1658 -3.2660 -3.2660 -2.7643 -2.7643 -0.2326 -0.2326 0.3356 0.3356 0.4869 0.4869 0.6040 0.6040 1.4596 1.4596 1.9308 1.9308 4.5630 4.5630 7.0497 7.0497 8.1186 8.1186 8.8190 8.8190 k =-0.2786 0.2536 0.6761 ( 5886 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3675 -20.3675 -20.3616 -20.3616 -20.1980 -20.1980 -20.1950 -20.1950 -20.1765 -20.1765 -20.1658 -20.1658 -3.2770 -3.2770 -2.7527 -2.7527 -0.2131 -0.2131 0.3378 0.3378 0.4861 0.4861 0.6065 0.6065 1.4639 1.4639 1.9368 1.9368 4.4960 4.4960 7.1108 7.1108 8.0377 8.0377 8.7513 8.7513 k =-0.2902 0.2641 0.6761 ( 5882 PWs) bands (ev): -48.3155 -48.3155 -48.3139 -48.3139 -20.3674 -20.3674 -20.3618 -20.3618 -20.1979 -20.1979 -20.1953 -20.1953 -20.1763 -20.1763 -20.1659 -20.1659 -3.2881 -3.2881 -2.7410 -2.7410 -0.1932 -0.1932 0.3406 0.3406 0.4856 0.4856 0.6091 0.6091 1.4683 1.4683 1.9419 1.9419 4.4311 4.4311 7.1442 7.1442 7.9901 7.9901 8.6871 8.6871 k =-0.3018 0.2747 0.6761 ( 5868 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3673 -20.3673 -20.3619 -20.3619 -20.1978 -20.1978 -20.1955 -20.1955 -20.1760 -20.1760 -20.1659 -20.1659 -3.2992 -3.2992 -2.7294 -2.7294 -0.1729 -0.1729 0.3437 0.3437 0.4855 0.4855 0.6116 0.6116 1.4727 1.4727 1.9463 1.9463 4.3685 4.3685 7.1429 7.1429 7.9819 7.9819 8.6276 8.6276 k =-0.3018 0.2747 0.6761 ( 5868 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3673 -20.3673 -20.3619 -20.3619 -20.1978 -20.1978 -20.1955 -20.1955 -20.1760 -20.1760 -20.1659 -20.1659 -3.2992 -3.2992 -2.7294 -2.7294 -0.1729 -0.1729 0.3437 0.3437 0.4855 0.4855 0.6116 0.6116 1.4727 1.4727 1.9463 1.9463 4.3685 4.3685 7.1429 7.1429 7.9819 7.9819 8.6276 8.6276 k =-0.3101 0.2822 0.6649 ( 5878 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3672 -20.3672 -20.3621 -20.3621 -20.1977 -20.1977 -20.1958 -20.1958 -20.1758 -20.1758 -20.1660 -20.1660 -3.3071 -3.3071 -2.7213 -2.7213 -0.1605 -0.1605 0.3474 0.3474 0.4864 0.4864 0.6138 0.6138 1.4757 1.4757 1.9489 1.9489 4.3264 4.3264 7.1219 7.1219 7.9977 7.9977 8.5912 8.5912 k =-0.3183 0.2897 0.6537 ( 5883 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3672 -20.3672 -20.3622 -20.3622 -20.1977 -20.1977 -20.1960 -20.1960 -20.1757 -20.1757 -20.1660 -20.1660 -3.3149 -3.3149 -2.7135 -2.7135 -0.1523 -0.1523 0.3533 0.3533 0.4892 0.4892 0.6164 0.6164 1.4785 1.4785 1.9510 1.9510 4.2877 4.2877 7.0881 7.0881 8.0266 8.0266 8.5623 8.5623 k =-0.3266 0.2972 0.6426 ( 5887 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3671 -20.3671 -20.3623 -20.3623 -20.1977 -20.1977 -20.1961 -20.1961 -20.1756 -20.1756 -20.1661 -20.1661 -3.3225 -3.3225 -2.7061 -2.7061 -0.1481 -0.1481 0.3605 0.3605 0.4943 0.4943 0.6194 0.6194 1.4810 1.4810 1.9526 1.9526 4.2525 4.2525 7.0460 7.0460 8.0637 8.0637 8.5411 8.5411 k =-0.3349 0.3048 0.6314 ( 5878 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3670 -20.3670 -20.3624 -20.3624 -20.1976 -20.1976 -20.1963 -20.1963 -20.1754 -20.1754 -20.1661 -20.1661 -3.3296 -3.3296 -2.6992 -2.6992 -0.1470 -0.1470 0.3680 0.3680 0.5016 0.5016 0.6227 0.6227 1.4833 1.4833 1.9538 1.9538 4.2207 4.2207 6.9999 6.9999 8.1038 8.1038 8.5278 8.5278 k =-0.3431 0.3123 0.6202 ( 5878 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3670 -20.3670 -20.3625 -20.3625 -20.1975 -20.1975 -20.1964 -20.1964 -20.1753 -20.1753 -20.1661 -20.1661 -3.3362 -3.3362 -2.6928 -2.6928 -0.1482 -0.1482 0.3747 0.3747 0.5109 0.5109 0.6261 0.6261 1.4853 1.4853 1.9547 1.9547 4.1925 4.1925 6.9534 6.9534 8.1423 8.1423 8.5230 8.5230 k =-0.3514 0.3198 0.6091 ( 5873 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3670 -20.3670 -20.3625 -20.3625 -20.1975 -20.1975 -20.1965 -20.1965 -20.1753 -20.1753 -20.1661 -20.1661 -3.3421 -3.3421 -2.6871 -2.6871 -0.1509 -0.1509 0.3801 0.3801 0.5215 0.5215 0.6297 0.6297 1.4870 1.4870 1.9552 1.9552 4.1679 4.1679 6.9089 6.9089 8.1754 8.1754 8.5268 8.5268 k =-0.3596 0.3273 0.5979 ( 5873 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3669 -20.3669 -20.3626 -20.3626 -20.1975 -20.1975 -20.1966 -20.1966 -20.1751 -20.1751 -20.1661 -20.1661 -3.3473 -3.3473 -2.6822 -2.6822 -0.1543 -0.1543 0.3843 0.3843 0.5323 0.5323 0.6334 0.6334 1.4884 1.4884 1.9555 1.9555 4.1471 4.1471 6.8685 6.8685 8.2009 8.2009 8.5382 8.5382 k =-0.3679 0.3348 0.5868 ( 5869 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3669 -20.3669 -20.3626 -20.3626 -20.1974 -20.1974 -20.1967 -20.1967 -20.1751 -20.1751 -20.1661 -20.1661 -3.3516 -3.3516 -2.6780 -2.6780 -0.1580 -0.1580 0.3873 0.3873 0.5424 0.5424 0.6369 0.6369 1.4896 1.4896 1.9557 1.9557 4.1299 4.1299 6.8338 6.8338 8.2187 8.2187 8.5550 8.5550 k =-0.3761 0.3423 0.5756 ( 5870 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3668 -20.3668 -20.3627 -20.3627 -20.1974 -20.1974 -20.1967 -20.1967 -20.1750 -20.1750 -20.1662 -20.1662 -3.3551 -3.3551 -2.6747 -2.6747 -0.1613 -0.1613 0.3893 0.3893 0.5509 0.5509 0.6402 0.6402 1.4905 1.4905 1.9557 1.9557 4.1166 4.1166 6.8057 6.8057 8.2300 8.2300 8.5733 8.5733 k =-0.3844 0.3498 0.5644 ( 5870 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3668 -20.3668 -20.3627 -20.3627 -20.1974 -20.1974 -20.1968 -20.1968 -20.1750 -20.1750 -20.1662 -20.1662 -3.3576 -3.3576 -2.6723 -2.6723 -0.1639 -0.1639 0.3906 0.3906 0.5573 0.5573 0.6429 0.6429 1.4911 1.4911 1.9556 1.9556 4.1070 4.1070 6.7852 6.7852 8.2366 8.2366 8.5895 8.5895 k =-0.3927 0.3574 0.5533 ( 5877 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3668 -20.3668 -20.3628 -20.3628 -20.1974 -20.1974 -20.1968 -20.1968 -20.1750 -20.1750 -20.1662 -20.1662 -3.3591 -3.3591 -2.6709 -2.6709 -0.1655 -0.1655 0.3913 0.3913 0.5611 0.5611 0.6447 0.6447 1.4915 1.4915 1.9556 1.9556 4.1012 4.1012 6.7726 6.7726 8.2399 8.2399 8.6005 8.6005 k =-0.4009 0.3649 0.5421 ( 5871 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3668 -20.3668 -20.3627 -20.3627 -20.1974 -20.1974 -20.1968 -20.1968 -20.1750 -20.1750 -20.1662 -20.1662 -3.3596 -3.3596 -2.6704 -2.6704 -0.1661 -0.1661 0.3916 0.3916 0.5624 0.5624 0.6454 0.6454 1.4916 1.4916 1.9556 1.9556 4.0993 4.0993 6.7684 6.7684 8.2409 8.2409 8.6043 8.6043 k =-0.4009 0.3649 0.5421 ( 5871 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3668 -20.3668 -20.3627 -20.3627 -20.1974 -20.1974 -20.1968 -20.1968 -20.1750 -20.1750 -20.1662 -20.1662 -3.3596 -3.3596 -2.6704 -2.6704 -0.1661 -0.1661 0.3916 0.3916 0.5624 0.5624 0.6454 0.6454 1.4916 1.4916 1.9556 1.9556 4.0993 4.0993 6.7684 6.7684 8.2409 8.2409 8.6043 8.6043 k =-0.3926 0.3573 0.5308 ( 5877 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3669 -20.3669 -20.3626 -20.3626 -20.1974 -20.1974 -20.1965 -20.1965 -20.1753 -20.1753 -20.1662 -20.1662 -3.3528 -3.3528 -2.6787 -2.6787 -0.2084 -0.2084 0.3975 0.3975 0.5656 0.5656 0.6592 0.6592 1.4864 1.4864 1.9546 1.9546 4.1505 4.1505 6.8353 6.8353 8.2448 8.2448 8.5750 8.5750 k =-0.3842 0.3497 0.5195 ( 5875 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3670 -20.3670 -20.3623 -20.3623 -20.1975 -20.1975 -20.1962 -20.1962 -20.1756 -20.1756 -20.1662 -20.1662 -3.3463 -3.3463 -2.6873 -2.6873 -0.2508 -0.2508 0.4022 0.4022 0.5668 0.5668 0.6780 0.6780 1.4809 1.4809 1.9531 1.9531 4.2052 4.2052 6.9027 6.9027 8.2123 8.2123 8.5903 8.5903 k =-0.3759 0.3421 0.5082 ( 5859 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3671 -20.3671 -20.3621 -20.3621 -20.1975 -20.1975 -20.1959 -20.1959 -20.1758 -20.1758 -20.1661 -20.1661 -3.3405 -3.3405 -2.6960 -2.6960 -0.2929 -0.2929 0.4061 0.4061 0.5660 0.5660 0.7008 0.7008 1.4752 1.4752 1.9513 1.9513 4.2633 4.2633 6.9699 6.9699 8.1521 8.1521 8.6424 8.6424 k =-0.3675 0.3345 0.4969 ( 5863 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3672 -20.3672 -20.3619 -20.3619 -20.1975 -20.1975 -20.1955 -20.1955 -20.1761 -20.1761 -20.1661 -20.1661 -3.3355 -3.3355 -2.7047 -2.7047 -0.3339 -0.3339 0.4094 0.4094 0.5639 0.5639 0.7268 0.7268 1.4694 1.4694 1.9489 1.9489 4.3246 4.3246 7.0364 7.0364 8.0788 8.0788 8.7170 8.7170 k =-0.3592 0.3269 0.4856 ( 5877 PWs) bands (ev): -48.3155 -48.3155 -48.3139 -48.3139 -20.3674 -20.3674 -20.3616 -20.3616 -20.1976 -20.1976 -20.1952 -20.1952 -20.1766 -20.1766 -20.1660 -20.1660 -3.3316 -3.3316 -2.7134 -2.7134 -0.3733 -0.3733 0.4122 0.4122 0.5609 0.5609 0.7550 0.7550 1.4635 1.4635 1.9462 1.9462 4.3891 4.3891 7.1018 7.1018 8.0010 8.0010 8.8063 8.8063 k =-0.3508 0.3193 0.4743 ( 5889 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3675 -20.3675 -20.3614 -20.3614 -20.1976 -20.1976 -20.1949 -20.1949 -20.1770 -20.1770 -20.1660 -20.1660 -3.3289 -3.3289 -2.7220 -2.7220 -0.4105 -0.4105 0.4148 0.4148 0.5573 0.5573 0.7848 0.7848 1.4576 1.4576 1.9430 1.9430 4.4566 4.4566 7.1655 7.1655 7.9228 7.9228 8.9062 8.9062 k =-0.3424 0.3117 0.4630 ( 5889 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3676 -20.3676 -20.3612 -20.3612 -20.1977 -20.1977 -20.1945 -20.1945 -20.1773 -20.1773 -20.1660 -20.1660 -3.3277 -3.3277 -2.7304 -2.7304 -0.4450 -0.4450 0.4172 0.4172 0.5533 0.5533 0.8156 0.8156 1.4515 1.4515 1.9394 1.9394 4.5271 4.5271 7.2272 7.2272 7.8467 7.8467 9.0146 9.0146 k =-0.3341 0.3041 0.4517 ( 5893 PWs) bands (ev): -48.3156 -48.3156 -48.3138 -48.3138 -20.3678 -20.3678 -20.3609 -20.3609 -20.1977 -20.1977 -20.1941 -20.1941 -20.1777 -20.1777 -20.1660 -20.1660 -3.3283 -3.3283 -2.7386 -2.7386 -0.4762 -0.4762 0.4194 0.4194 0.5491 0.5491 0.8470 0.8470 1.4455 1.4455 1.9354 1.9354 4.6003 4.6003 7.2861 7.2861 7.7748 7.7748 9.1300 9.1300 k =-0.3257 0.2965 0.4405 ( 5889 PWs) bands (ev): -48.3156 -48.3156 -48.3137 -48.3137 -20.3679 -20.3679 -20.3606 -20.3606 -20.1977 -20.1977 -20.1936 -20.1936 -20.1781 -20.1781 -20.1659 -20.1659 -3.3309 -3.3309 -2.7465 -2.7465 -0.5038 -0.5038 0.4213 0.4213 0.5449 0.5449 0.8786 0.8786 1.4394 1.4394 1.9310 1.9310 4.6763 4.6763 7.3405 7.3405 7.7096 7.7096 9.2510 9.2510 k =-0.3174 0.2889 0.4292 ( 5889 PWs) bands (ev): -48.3156 -48.3156 -48.3137 -48.3137 -20.3680 -20.3680 -20.3603 -20.3603 -20.1978 -20.1978 -20.1932 -20.1932 -20.1785 -20.1785 -20.1659 -20.1659 -3.3356 -3.3356 -2.7541 -2.7541 -0.5273 -0.5273 0.4231 0.4231 0.5407 0.5407 0.9099 0.9099 1.4334 1.4334 1.9262 1.9262 4.7549 4.7549 7.3860 7.3860 7.6565 7.6565 9.3764 9.3764 k =-0.3090 0.2813 0.4179 ( 5889 PWs) bands (ev): -48.3157 -48.3157 -48.3137 -48.3137 -20.3682 -20.3682 -20.3600 -20.3600 -20.1978 -20.1978 -20.1927 -20.1927 -20.1789 -20.1789 -20.1658 -20.1658 -3.3426 -3.3426 -2.7613 -2.7613 -0.5463 -0.5463 0.4246 0.4246 0.5367 0.5367 0.9408 0.9408 1.4275 1.4275 1.9211 1.9211 4.8360 4.8360 7.4120 7.4120 7.6267 7.6267 9.5047 9.5047 k =-0.3007 0.2737 0.4066 ( 5901 PWs) bands (ev): -48.3157 -48.3157 -48.3137 -48.3137 -20.3684 -20.3684 -20.3597 -20.3597 -20.1979 -20.1979 -20.1923 -20.1923 -20.1794 -20.1794 -20.1658 -20.1658 -3.3519 -3.3519 -2.7680 -2.7680 -0.5607 -0.5607 0.4258 0.4258 0.5329 0.5329 0.9710 0.9710 1.4216 1.4216 1.9157 1.9157 4.9196 4.9196 7.4062 7.4062 7.6331 7.6331 9.6342 9.6342 k =-0.2923 0.2661 0.3953 ( 5895 PWs) bands (ev): -48.3157 -48.3157 -48.3136 -48.3136 -20.3686 -20.3686 -20.3593 -20.3593 -20.1980 -20.1980 -20.1917 -20.1917 -20.1798 -20.1798 -20.1658 -20.1658 -3.3638 -3.3638 -2.7743 -2.7743 -0.5701 -0.5701 0.4267 0.4267 0.5294 0.5294 1.0001 1.0001 1.4158 1.4158 1.9099 1.9099 5.0054 5.0054 7.3761 7.3761 7.6689 7.6689 9.7630 9.7630 k =-0.2840 0.2585 0.3840 ( 5895 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3687 -20.3687 -20.3590 -20.3590 -20.1980 -20.1980 -20.1913 -20.1913 -20.1803 -20.1803 -20.1657 -20.1657 -3.3781 -3.3781 -2.7800 -2.7800 -0.5745 -0.5745 0.4273 0.4273 0.5263 0.5263 1.0280 1.0280 1.4101 1.4101 1.9039 1.9039 5.0935 5.0935 7.3376 7.3376 7.7187 7.7187 9.8872 9.8872 k =-0.2756 0.2508 0.3727 ( 5891 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3689 -20.3689 -20.3587 -20.3587 -20.1981 -20.1981 -20.1907 -20.1907 -20.1808 -20.1808 -20.1656 -20.1656 -3.3950 -3.3950 -2.7853 -2.7853 -0.5738 -0.5738 0.4275 0.4275 0.5236 0.5236 1.0543 1.0543 1.4045 1.4045 1.8975 1.8975 5.1837 5.1837 7.2988 7.2988 7.7747 7.7747 9.9924 9.9924 k =-0.2673 0.2432 0.3614 ( 5891 PWs) bands (ev): -48.3158 -48.3158 -48.3135 -48.3135 -20.3691 -20.3691 -20.3583 -20.3583 -20.1981 -20.1981 -20.1902 -20.1902 -20.1812 -20.1812 -20.1655 -20.1655 -3.4142 -3.4142 -2.7900 -2.7900 -0.5681 -0.5681 0.4273 0.4273 0.5214 0.5214 1.0791 1.0791 1.3990 1.3990 1.8908 1.8908 5.2760 5.2760 7.2631 7.2631 7.8342 7.8342 10.0102 10.0102 k =-0.2589 0.2356 0.3501 ( 5903 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3693 -20.3693 -20.3580 -20.3580 -20.1982 -20.1982 -20.1897 -20.1897 -20.1817 -20.1817 -20.1655 -20.1655 -3.4357 -3.4357 -2.7941 -2.7941 -0.5573 -0.5573 0.4267 0.4267 0.5198 0.5198 1.1019 1.1019 1.3937 1.3937 1.8839 1.8839 5.3702 5.3702 7.2319 7.2319 7.8958 7.8958 9.9571 9.9571 k =-0.2506 0.2280 0.3388 ( 5899 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3695 -20.3695 -20.3576 -20.3576 -20.1983 -20.1983 -20.1891 -20.1891 -20.1822 -20.1822 -20.1654 -20.1654 -3.4594 -3.4594 -2.7977 -2.7977 -0.5416 -0.5416 0.4257 0.4257 0.5186 0.5186 1.1228 1.1228 1.3885 1.3885 1.8767 1.8767 5.4662 5.4662 7.2061 7.2061 7.9592 7.9592 9.8942 9.8942 k =-0.2422 0.2204 0.3275 ( 5909 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3697 -20.3697 -20.3573 -20.3573 -20.1984 -20.1984 -20.1886 -20.1886 -20.1827 -20.1827 -20.1654 -20.1654 -3.4850 -3.4850 -2.8007 -2.8007 -0.5213 -0.5213 0.4243 0.4243 0.5180 0.5180 1.1416 1.1416 1.3835 1.3835 1.8692 1.8692 5.5640 5.5640 7.1862 7.1862 8.0238 8.0238 9.8308 9.8308 k =-0.2339 0.2128 0.3162 ( 5905 PWs) bands (ev): -48.3160 -48.3160 -48.3134 -48.3134 -20.3699 -20.3699 -20.3569 -20.3569 -20.1984 -20.1984 -20.1881 -20.1881 -20.1832 -20.1832 -20.1653 -20.1653 -3.5123 -3.5123 -2.8031 -2.8031 -0.4966 -0.4966 0.4227 0.4227 0.5180 0.5180 1.1582 1.1582 1.3787 1.3787 1.8614 1.8614 5.6634 5.6634 7.1723 7.1723 8.0895 8.0895 9.7686 9.7686 k =-0.2255 0.2052 0.3049 ( 5909 PWs) bands (ev): -48.3160 -48.3160 -48.3134 -48.3134 -20.3702 -20.3702 -20.3565 -20.3565 -20.1985 -20.1985 -20.1875 -20.1875 -20.1837 -20.1837 -20.1652 -20.1652 -3.5412 -3.5412 -2.8050 -2.8050 -0.4677 -0.4677 0.4207 0.4207 0.5184 0.5184 1.1725 1.1725 1.3740 1.3740 1.8532 1.8532 5.7644 5.7644 7.1648 7.1648 8.1559 8.1559 9.7083 9.7083 k =-0.2172 0.1976 0.2936 ( 5917 PWs) bands (ev): -48.3160 -48.3160 -48.3134 -48.3134 -20.3704 -20.3704 -20.3562 -20.3562 -20.1986 -20.1986 -20.1870 -20.1870 -20.1842 -20.1842 -20.1651 -20.1651 -3.5712 -3.5712 -2.8063 -2.8063 -0.4351 -0.4351 0.4185 0.4185 0.5195 0.5195 1.1845 1.1845 1.3696 1.3696 1.8448 1.8448 5.8667 5.8667 7.1638 7.1638 8.2227 8.2227 9.6504 9.6504 k =-0.2088 0.1900 0.2823 ( 5913 PWs) bands (ev): -48.3161 -48.3161 -48.3133 -48.3133 -20.3706 -20.3706 -20.3558 -20.3558 -20.1987 -20.1987 -20.1864 -20.1864 -20.1847 -20.1847 -20.1650 -20.1650 -3.6023 -3.6023 -2.8070 -2.8070 -0.3990 -0.3990 0.4162 0.4162 0.5210 0.5210 1.1943 1.1943 1.3653 1.3653 1.8361 1.8361 5.9703 5.9703 7.1692 7.1692 8.2893 8.2893 9.5953 9.5953 k =-0.2005 0.1824 0.2710 ( 5919 PWs) bands (ev): -48.3161 -48.3161 -48.3133 -48.3133 -20.3708 -20.3708 -20.3555 -20.3555 -20.1987 -20.1987 -20.1859 -20.1859 -20.1852 -20.1852 -20.1650 -20.1650 -3.6341 -3.6341 -2.8072 -2.8072 -0.3599 -0.3599 0.4137 0.4137 0.5232 0.5232 1.2019 1.2019 1.3612 1.3612 1.8270 1.8270 6.0750 6.0750 7.1812 7.1812 8.3549 8.3549 9.5438 9.5438 k =-0.1921 0.1748 0.2598 ( 5911 PWs) bands (ev): -48.3161 -48.3161 -48.3133 -48.3133 -20.3710 -20.3710 -20.3551 -20.3551 -20.1988 -20.1988 -20.1856 -20.1856 -20.1854 -20.1854 -20.1649 -20.1649 -3.6664 -3.6664 -2.8069 -2.8069 -0.3182 -0.3182 0.4112 0.4112 0.5260 0.5260 1.2074 1.2074 1.3574 1.3574 1.8175 1.8175 6.1807 6.1807 7.1996 7.1996 8.4183 8.4183 9.4968 9.4968 k =-0.1838 0.1672 0.2485 ( 5909 PWs) bands (ev): -48.3162 -48.3162 -48.3132 -48.3132 -20.3712 -20.3712 -20.3548 -20.3548 -20.1988 -20.1988 -20.1860 -20.1860 -20.1849 -20.1849 -20.1648 -20.1648 -3.6990 -3.6990 -2.8061 -2.8061 -0.2744 -0.2744 0.4087 0.4087 0.5294 0.5294 1.2109 1.2109 1.3537 1.3537 1.8076 1.8076 6.2872 6.2872 7.2245 7.2245 8.4778 8.4778 9.4558 9.4558 k =-0.1754 0.1596 0.2372 ( 5917 PWs) bands (ev): -48.3162 -48.3162 -48.3132 -48.3132 -20.3714 -20.3714 -20.3545 -20.3545 -20.1989 -20.1989 -20.1864 -20.1864 -20.1844 -20.1844 -20.1647 -20.1647 -3.7315 -3.7315 -2.8049 -2.8049 -0.2289 -0.2289 0.4061 0.4061 0.5337 0.5337 1.2125 1.2125 1.3503 1.3503 1.7973 1.7973 6.3942 6.3942 7.2555 7.2555 8.5311 8.5311 9.4229 9.4229 k =-0.1670 0.1520 0.2259 ( 5917 PWs) bands (ev): -48.3162 -48.3162 -48.3132 -48.3132 -20.3716 -20.3716 -20.3542 -20.3542 -20.1989 -20.1989 -20.1869 -20.1869 -20.1839 -20.1839 -20.1646 -20.1646 -3.7639 -3.7639 -2.8033 -2.8033 -0.1824 -0.1824 0.4036 0.4036 0.5388 0.5388 1.2125 1.2125 1.3471 1.3471 1.7865 1.7865 6.5017 6.5017 7.2927 7.2927 8.5752 8.5752 9.4010 9.4010 k =-0.1587 0.1444 0.2146 ( 5913 PWs) bands (ev): -48.3163 -48.3163 -48.3132 -48.3132 -20.3717 -20.3717 -20.3538 -20.3538 -20.1990 -20.1990 -20.1873 -20.1873 -20.1834 -20.1834 -20.1646 -20.1646 -3.7958 -3.7958 -2.8013 -2.8013 -0.1353 -0.1353 0.4012 0.4012 0.5450 0.5450 1.2110 1.2110 1.3441 1.3441 1.7752 1.7752 6.6094 6.6094 7.3358 7.3358 8.6067 8.6067 9.3932 9.3932 k =-0.1503 0.1368 0.2033 ( 5909 PWs) bands (ev): -48.3163 -48.3163 -48.3131 -48.3131 -20.3719 -20.3719 -20.3535 -20.3535 -20.1991 -20.1991 -20.1877 -20.1877 -20.1829 -20.1829 -20.1644 -20.1644 -3.8271 -3.8271 -2.7989 -2.7989 -0.0883 -0.0883 0.3989 0.3989 0.5525 0.5525 1.2084 1.2084 1.3413 1.3413 1.7633 1.7633 6.7170 6.7170 7.3844 7.3844 8.6228 8.6228 9.4022 9.4022 k =-0.1420 0.1292 0.1920 ( 5905 PWs) bands (ev): -48.3163 -48.3163 -48.3131 -48.3131 -20.3721 -20.3721 -20.3532 -20.3532 -20.1991 -20.1991 -20.1880 -20.1880 -20.1824 -20.1824 -20.1644 -20.1644 -3.8576 -3.8576 -2.7963 -2.7963 -0.0420 -0.0420 0.3968 0.3968 0.5615 0.5615 1.2048 1.2048 1.3387 1.3387 1.7509 1.7509 6.8242 6.8242 7.4383 7.4383 8.6223 8.6223 9.4291 9.4291 k =-0.1336 0.1216 0.1807 ( 5899 PWs) bands (ev): -48.3163 -48.3163 -48.3131 -48.3131 -20.3722 -20.3722 -20.3529 -20.3529 -20.1991 -20.1991 -20.1884 -20.1884 -20.1820 -20.1820 -20.1643 -20.1643 -3.8872 -3.8872 -2.7935 -2.7935 0.0028 0.0028 0.3948 0.3948 0.5721 0.5721 1.2007 1.2007 1.3363 1.3363 1.7378 1.7378 6.9308 6.9308 7.4972 7.4972 8.6063 8.6063 9.4725 9.4725 k =-0.1253 0.1140 0.1694 ( 5893 PWs) bands (ev): -48.3163 -48.3163 -48.3130 -48.3130 -20.3724 -20.3724 -20.3526 -20.3526 -20.1991 -20.1991 -20.1887 -20.1887 -20.1816 -20.1816 -20.1642 -20.1642 -3.9156 -3.9156 -2.7905 -2.7905 0.0455 0.0455 0.3930 0.3930 0.5847 0.5847 1.1963 1.1963 1.3341 1.3341 1.7241 1.7241 7.0363 7.0363 7.5605 7.5605 8.5777 8.5777 9.5297 9.5297 k =-0.1169 0.1064 0.1581 ( 5889 PWs) bands (ev): -48.3164 -48.3164 -48.3130 -48.3130 -20.3725 -20.3725 -20.3524 -20.3524 -20.1992 -20.1992 -20.1890 -20.1890 -20.1812 -20.1812 -20.1641 -20.1641 -3.9428 -3.9428 -2.7873 -2.7873 0.0854 0.0854 0.3914 0.3914 0.5994 0.5994 1.1920 1.1920 1.3321 1.3321 1.7097 1.7097 7.1406 7.1406 7.6278 7.6278 8.5396 8.5396 9.5973 9.5973 k =-0.1086 0.0988 0.1468 ( 5897 PWs) bands (ev): -48.3164 -48.3164 -48.3130 -48.3130 -20.3727 -20.3727 -20.3521 -20.3521 -20.1992 -20.1992 -20.1893 -20.1893 -20.1808 -20.1808 -20.1640 -20.1640 -3.9687 -3.9687 -2.7841 -2.7841 0.1218 0.1218 0.3901 0.3901 0.6162 0.6162 1.1883 1.1883 1.3303 1.3303 1.6945 1.6945 7.2431 7.2431 7.6984 7.6984 8.4949 8.4949 9.6721 9.6721 k =-0.1002 0.0912 0.1355 ( 5909 PWs) bands (ev): -48.3164 -48.3164 -48.3130 -48.3130 -20.3728 -20.3728 -20.3520 -20.3520 -20.1993 -20.1993 -20.1896 -20.1896 -20.1806 -20.1806 -20.1641 -20.1641 -3.9930 -3.9930 -2.7808 -2.7808 0.1544 0.1544 0.3890 0.3890 0.6351 0.6351 1.1855 1.1855 1.3286 1.3286 1.6786 1.6786 7.3434 7.3434 7.7716 7.7716 8.4464 8.4464 9.7507 9.7507 k =-0.0919 0.0836 0.1242 ( 5901 PWs) bands (ev): -48.3164 -48.3164 -48.3130 -48.3130 -20.3730 -20.3730 -20.3517 -20.3517 -20.1993 -20.1993 -20.1899 -20.1899 -20.1802 -20.1802 -20.1640 -20.1640 -4.0157 -4.0157 -2.7776 -2.7776 0.1827 0.1827 0.3882 0.3882 0.6557 0.6557 1.1841 1.1841 1.3271 1.3271 1.6618 1.6618 7.4411 7.4411 7.8465 7.8465 8.3958 8.3958 9.8283 9.8283 k =-0.0835 0.0760 0.1129 ( 5893 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3731 -20.3731 -20.3515 -20.3515 -20.1993 -20.1993 -20.1901 -20.1901 -20.1798 -20.1798 -20.1639 -20.1639 -4.0367 -4.0367 -2.7744 -2.7744 0.2069 0.2069 0.3876 0.3876 0.6774 0.6774 1.1845 1.1845 1.3258 1.3258 1.6442 1.6442 7.5356 7.5356 7.9223 7.9223 8.3451 8.3451 9.8915 9.8915 k =-0.0752 0.0684 0.1016 ( 5889 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3732 -20.3732 -20.3513 -20.3513 -20.1994 -20.1994 -20.1903 -20.1903 -20.1796 -20.1796 -20.1638 -20.1638 -4.0560 -4.0560 -2.7714 -2.7714 0.2270 0.2270 0.3872 0.3872 0.6995 0.6995 1.1873 1.1873 1.3246 1.3246 1.6259 1.6259 7.6261 7.6261 7.9977 7.9977 8.2954 8.2954 9.9086 9.9086 k =-0.0668 0.0608 0.0903 ( 5885 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3733 -20.3733 -20.3511 -20.3511 -20.1994 -20.1994 -20.1905 -20.1905 -20.1793 -20.1793 -20.1637 -20.1637 -4.0734 -4.0734 -2.7685 -2.7685 0.2434 0.2434 0.3871 0.3871 0.7210 0.7210 1.1928 1.1928 1.3235 1.3235 1.6067 1.6067 7.7121 7.7121 8.0715 8.0715 8.2481 8.2481 9.8925 9.8925 k =-0.0585 0.0532 0.0791 ( 5899 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3734 -20.3734 -20.3510 -20.3510 -20.1994 -20.1994 -20.1907 -20.1907 -20.1791 -20.1791 -20.1638 -20.1638 -4.0889 -4.0889 -2.7659 -2.7659 0.2566 0.2566 0.3872 0.3872 0.7410 0.7410 1.2011 1.2011 1.3225 1.3225 1.5870 1.5870 7.7924 7.7924 8.1420 8.1420 8.2046 8.2046 9.8710 9.8710 k =-0.0501 0.0456 0.0678 ( 5905 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3735 -20.3735 -20.3510 -20.3510 -20.1995 -20.1995 -20.1909 -20.1909 -20.1790 -20.1790 -20.1638 -20.1638 -4.1025 -4.1025 -2.7635 -2.7635 0.2669 0.2669 0.3875 0.3875 0.7588 0.7588 1.2123 1.2123 1.3216 1.3216 1.5667 1.5667 7.8659 7.8659 8.1632 8.1632 8.2101 8.2101 9.8511 9.8511 k =-0.0418 0.0380 0.0565 ( 5917 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3736 -20.3736 -20.3509 -20.3509 -20.1995 -20.1995 -20.1910 -20.1910 -20.1788 -20.1788 -20.1638 -20.1638 -4.1140 -4.1140 -2.7614 -2.7614 0.2749 0.2749 0.3878 0.3878 0.7740 0.7740 1.2260 1.2260 1.3208 1.3208 1.5464 1.5464 7.9313 7.9313 8.1294 8.1294 8.2699 8.2699 9.8344 9.8344 k =-0.0334 0.0304 0.0452 ( 5917 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3736 -20.3736 -20.3508 -20.3508 -20.1995 -20.1995 -20.1912 -20.1912 -20.1787 -20.1787 -20.1637 -20.1637 -4.1235 -4.1235 -2.7597 -2.7597 0.2809 0.2809 0.3881 0.3881 0.7862 0.7862 1.2415 1.2415 1.3200 1.3200 1.5266 1.5266 7.9866 7.9866 8.1013 8.1013 8.3224 8.3224 9.8212 9.8212 k =-0.0251 0.0228 0.0339 ( 5911 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3737 -20.3737 -20.3507 -20.3507 -20.1995 -20.1995 -20.1912 -20.1912 -20.1785 -20.1785 -20.1637 -20.1637 -4.1310 -4.1310 -2.7583 -2.7583 0.2853 0.2853 0.3885 0.3885 0.7954 0.7954 1.2574 1.2574 1.3191 1.3191 1.5082 1.5082 8.0280 8.0280 8.0824 8.0824 8.3655 8.3655 9.8116 9.8116 k =-0.0167 0.0152 0.0226 ( 5901 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3737 -20.3737 -20.3506 -20.3506 -20.1995 -20.1995 -20.1913 -20.1913 -20.1784 -20.1784 -20.1637 -20.1637 -4.1363 -4.1363 -2.7573 -2.7573 0.2882 0.2882 0.3887 0.3887 0.8018 0.8018 1.2720 1.2720 1.3181 1.3181 1.4925 1.4925 8.0434 8.0434 8.0839 8.0839 8.3976 8.3976 9.8053 9.8053 k =-0.0084 0.0076 0.0113 ( 5909 PWs) bands (ev): -48.3166 -48.3166 -48.3129 -48.3129 -20.3737 -20.3737 -20.3506 -20.3506 -20.1996 -20.1996 -20.1913 -20.1913 -20.1784 -20.1784 -20.1637 -20.1637 -4.1395 -4.1395 -2.7567 -2.7567 0.2899 0.2899 0.3889 0.3889 0.8056 0.8056 1.2830 1.2830 1.3169 1.3169 1.4817 1.4817 8.0397 8.0397 8.0982 8.0982 8.4175 8.4175 9.8017 9.8017 k = 0.0000 0.0000 0.0000 ( 5893 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3737 -20.3737 -20.3505 -20.3505 -20.1996 -20.1996 -20.1913 -20.1913 -20.1783 -20.1783 -20.1636 -20.1636 -4.1405 -4.1405 -2.7565 -2.7565 0.2905 0.2905 0.3890 0.3890 0.8068 0.8068 1.2872 1.2872 1.3163 1.3163 1.4778 1.4778 8.0374 8.0374 8.1041 8.1041 8.4242 8.4242 9.8005 9.8005 k = 0.0000 0.0000 0.0000 ( 5893 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3737 -20.3737 -20.3505 -20.3505 -20.1996 -20.1996 -20.1913 -20.1913 -20.1783 -20.1783 -20.1636 -20.1636 -4.1405 -4.1405 -2.7565 -2.7565 0.2905 0.2905 0.3890 0.3890 0.8068 0.8068 1.2872 1.2872 1.3163 1.3163 1.4778 1.4778 8.0374 8.0374 8.1041 8.1041 8.4242 8.4242 9.8005 9.8005 k = 0.0106 0.0117-0.0000 ( 5897 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3737 -20.3737 -20.3505 -20.3505 -20.1995 -20.1995 -20.1913 -20.1913 -20.1783 -20.1783 -20.1637 -20.1637 -4.1398 -4.1398 -2.7563 -2.7563 0.2904 0.2904 0.3888 0.3888 0.8062 0.8062 1.2783 1.2783 1.3247 1.3247 1.4782 1.4782 7.9232 7.9232 8.2189 8.2189 8.4247 8.4247 9.7957 9.7957 k = 0.0213 0.0234-0.0000 ( 5905 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3737 -20.3737 -20.3506 -20.3506 -20.1994 -20.1994 -20.1914 -20.1914 -20.1784 -20.1784 -20.1638 -20.1638 -4.1376 -4.1376 -2.7559 -2.7559 0.2903 0.2903 0.3884 0.3884 0.8045 0.8045 1.2618 1.2618 1.3395 1.3395 1.4795 1.4795 7.7823 7.7823 8.3612 8.3612 8.4260 8.4260 9.7817 9.7817 k = 0.0319 0.0351-0.0000 ( 5905 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3736 -20.3736 -20.3507 -20.3507 -20.1993 -20.1993 -20.1914 -20.1914 -20.1783 -20.1783 -20.1640 -20.1640 -4.1340 -4.1340 -2.7551 -2.7551 0.2900 0.2900 0.3876 0.3876 0.8016 0.8016 1.2434 1.2434 1.3551 1.3551 1.4816 1.4816 7.6415 7.6415 8.4283 8.4283 8.5038 8.5038 9.7588 9.7588 k = 0.0426 0.0468-0.0000 ( 5897 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3734 -20.3734 -20.3508 -20.3508 -20.1990 -20.1990 -20.1914 -20.1914 -20.1783 -20.1783 -20.1643 -20.1643 -4.1290 -4.1290 -2.7540 -2.7540 0.2896 0.2896 0.3865 0.3865 0.7977 0.7977 1.2242 1.2242 1.3705 1.3705 1.4844 1.4844 7.5019 7.5019 8.4315 8.4315 8.6448 8.6448 9.7280 9.7280 k = 0.0532 0.0584-0.0000 ( 5893 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3732 -20.3732 -20.3510 -20.3510 -20.1986 -20.1986 -20.1914 -20.1914 -20.1783 -20.1783 -20.1648 -20.1648 -4.1225 -4.1225 -2.7526 -2.7526 0.2892 0.2892 0.3852 0.3852 0.7928 0.7928 1.2044 1.2044 1.3854 1.3854 1.4881 1.4881 7.3641 7.3641 8.4356 8.4356 8.7822 8.7822 9.6903 9.6903 k = 0.0638 0.0701-0.0000 ( 5889 PWs) bands (ev): -48.3165 -48.3165 -48.3129 -48.3129 -20.3731 -20.3731 -20.3510 -20.3510 -20.1983 -20.1983 -20.1916 -20.1916 -20.1781 -20.1781 -20.1652 -20.1652 -4.1146 -4.1146 -2.7509 -2.7509 0.2886 0.2886 0.3836 0.3836 0.7869 0.7869 1.1842 1.1842 1.3997 1.3997 1.4924 1.4924 7.2281 7.2281 8.4405 8.4405 8.9137 8.9137 9.6468 9.6468 k = 0.0745 0.0818-0.0000 ( 5889 PWs) bands (ev): -48.3164 -48.3164 -48.3130 -48.3130 -20.3729 -20.3729 -20.3512 -20.3512 -20.1979 -20.1979 -20.1917 -20.1917 -20.1780 -20.1780 -20.1657 -20.1657 -4.1054 -4.1054 -2.7489 -2.7489 0.2878 0.2878 0.3817 0.3817 0.7802 0.7802 1.1636 1.1636 1.4133 1.4133 1.4975 1.4975 7.0942 7.0942 8.4462 8.4462 9.0361 9.0361 9.5985 9.5985 k = 0.0851 0.0935-0.0000 ( 5897 PWs) bands (ev): -48.3164 -48.3164 -48.3130 -48.3130 -20.3727 -20.3727 -20.3514 -20.3514 -20.1974 -20.1974 -20.1918 -20.1918 -20.1780 -20.1780 -20.1664 -20.1664 -4.0948 -4.0948 -2.7467 -2.7467 0.2869 0.2869 0.3795 0.3795 0.7727 0.7727 1.1427 1.1427 1.4262 1.4262 1.5031 1.5031 6.9624 6.9624 8.4527 8.4527 9.1447 9.1447 9.5466 9.5466 k = 0.0957 0.1052-0.0000 ( 5889 PWs) bands (ev): -48.3163 -48.3163 -48.3131 -48.3131 -20.3725 -20.3725 -20.3516 -20.3516 -20.1969 -20.1969 -20.1919 -20.1919 -20.1779 -20.1779 -20.1670 -20.1670 -4.0829 -4.0829 -2.7442 -2.7442 0.2859 0.2859 0.3771 0.3771 0.7646 0.7646 1.1216 1.1216 1.4384 1.4384 1.5093 1.5093 6.8329 6.8329 8.4599 8.4599 9.2331 9.2331 9.4921 9.4921 k = 0.1064 0.1169-0.0000 ( 5873 PWs) bands (ev): -48.3163 -48.3163 -48.3131 -48.3131 -20.3722 -20.3722 -20.3518 -20.3518 -20.1962 -20.1962 -20.1921 -20.1921 -20.1778 -20.1778 -20.1677 -20.1677 -4.0697 -4.0697 -2.7414 -2.7414 0.2847 0.2847 0.3744 0.3744 0.7560 0.7560 1.1004 1.1004 1.4498 1.4498 1.5160 1.5160 6.7056 6.7056 8.4677 8.4677 9.2933 9.2933 9.4358 9.4358 k = 0.1170 0.1286-0.0000 ( 5873 PWs) bands (ev): -48.3162 -48.3162 -48.3131 -48.3131 -20.3719 -20.3719 -20.3521 -20.3521 -20.1955 -20.1955 -20.1922 -20.1922 -20.1777 -20.1777 -20.1685 -20.1685 -4.0554 -4.0554 -2.7383 -2.7383 0.2834 0.2834 0.3715 0.3715 0.7469 0.7469 1.0790 1.0790 1.4604 1.4604 1.5232 1.5232 6.5807 6.5807 8.4760 8.4760 9.3176 9.3176 9.3785 9.3785 k = 0.1277 0.1403-0.0000 ( 5873 PWs) bands (ev): -48.3162 -48.3162 -48.3132 -48.3132 -20.3716 -20.3716 -20.3524 -20.3524 -20.1948 -20.1948 -20.1923 -20.1923 -20.1776 -20.1776 -20.1694 -20.1694 -4.0398 -4.0398 -2.7350 -2.7350 0.2818 0.2818 0.3684 0.3684 0.7375 0.7375 1.0576 1.0576 1.4703 1.4703 1.5309 1.5309 6.4580 6.4580 8.4847 8.4847 9.3017 9.3017 9.3210 9.3210 k = 0.1383 0.1520-0.0000 ( 5873 PWs) bands (ev): -48.3161 -48.3161 -48.3132 -48.3132 -20.3713 -20.3713 -20.3527 -20.3527 -20.1941 -20.1941 -20.1925 -20.1925 -20.1775 -20.1775 -20.1703 -20.1703 -4.0231 -4.0231 -2.7316 -2.7316 0.2800 0.2800 0.3651 0.3651 0.7280 0.7280 1.0362 1.0362 1.4795 1.4795 1.5389 1.5389 6.3378 6.3378 8.4935 8.4935 9.2473 9.2473 9.2640 9.2640 k = 0.1489 0.1636-0.0000 ( 5873 PWs) bands (ev): -48.3161 -48.3161 -48.3133 -48.3133 -20.3710 -20.3710 -20.3531 -20.3531 -20.1933 -20.1933 -20.1927 -20.1927 -20.1774 -20.1774 -20.1712 -20.1712 -4.0054 -4.0054 -2.7279 -2.7279 0.2780 0.2780 0.3616 0.3616 0.7183 0.7183 1.0148 1.0148 1.4878 1.4878 1.5473 1.5473 6.2199 6.2199 8.5022 8.5022 9.1616 9.1616 9.2081 9.2081 k = 0.1596 0.1753-0.0000 ( 5877 PWs) bands (ev): -48.3160 -48.3160 -48.3134 -48.3134 -20.3706 -20.3706 -20.3535 -20.3535 -20.1929 -20.1929 -20.1924 -20.1924 -20.1772 -20.1772 -20.1723 -20.1723 -3.9866 -3.9866 -2.7240 -2.7240 0.2757 0.2757 0.3580 0.3580 0.7087 0.7087 0.9935 0.9935 1.4955 1.4955 1.5561 1.5561 6.1043 6.1043 8.5105 8.5105 9.0533 9.0533 9.1541 9.1541 k = 0.1702 0.1870-0.0000 ( 5881 PWs) bands (ev): -48.3159 -48.3159 -48.3134 -48.3134 -20.3703 -20.3703 -20.3539 -20.3539 -20.1931 -20.1931 -20.1916 -20.1916 -20.1771 -20.1771 -20.1733 -20.1733 -3.9669 -3.9669 -2.7199 -2.7199 0.2732 0.2732 0.3542 0.3542 0.6992 0.6992 0.9723 0.9723 1.5024 1.5024 1.5652 1.5652 5.9910 5.9910 8.5178 8.5178 8.9300 8.9300 9.1027 9.1027 k = 0.1809 0.1987-0.0000 ( 5865 PWs) bands (ev): -48.3158 -48.3158 -48.3135 -48.3135 -20.3700 -20.3700 -20.3542 -20.3542 -20.1933 -20.1933 -20.1906 -20.1906 -20.1769 -20.1769 -20.1743 -20.1743 -3.9464 -3.9464 -2.7157 -2.7157 0.2704 0.2704 0.3503 0.3503 0.6899 0.6899 0.9513 0.9513 1.5086 1.5086 1.5747 1.5747 5.8800 5.8800 8.5236 8.5236 8.7974 8.7974 9.0548 9.0548 k = 0.1915 0.2104-0.0000 ( 5861 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3696 -20.3696 -20.3547 -20.3547 -20.1935 -20.1935 -20.1896 -20.1896 -20.1767 -20.1767 -20.1754 -20.1754 -3.9251 -3.9251 -2.7113 -2.7113 0.2673 0.2673 0.3462 0.3462 0.6809 0.6809 0.9305 0.9305 1.5140 1.5140 1.5845 1.5845 5.7713 5.7713 8.5269 8.5269 8.6596 8.6596 9.0114 9.0114 k = 0.2021 0.2221-0.0000 ( 5861 PWs) bands (ev): -48.3157 -48.3157 -48.3136 -48.3136 -20.3693 -20.3693 -20.3551 -20.3551 -20.1937 -20.1937 -20.1886 -20.1886 -20.1766 -20.1766 -20.1765 -20.1765 -3.9030 -3.9030 -2.7068 -2.7068 0.2638 0.2638 0.3421 0.3421 0.6723 0.6723 0.9100 0.9100 1.5189 1.5189 1.5946 1.5946 5.6648 5.6648 8.5194 8.5194 8.5267 8.5267 8.9738 8.9738 k = 0.2128 0.2338-0.0000 ( 5865 PWs) bands (ev): -48.3156 -48.3156 -48.3137 -48.3137 -20.3690 -20.3690 -20.3556 -20.3556 -20.1940 -20.1940 -20.1875 -20.1875 -20.1777 -20.1777 -20.1764 -20.1764 -3.8804 -3.8804 -2.7022 -2.7022 0.2601 0.2601 0.3380 0.3380 0.6641 0.6641 0.8898 0.8898 1.5231 1.5231 1.6051 1.6051 5.5605 5.5605 8.3788 8.3788 8.5220 8.5220 8.9431 8.9431 k = 0.2234 0.2455-0.0000 ( 5865 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3686 -20.3686 -20.3561 -20.3561 -20.1942 -20.1942 -20.1865 -20.1865 -20.1788 -20.1788 -20.1762 -20.1762 -3.8572 -3.8572 -2.6976 -2.6976 0.2561 0.2561 0.3338 0.3338 0.6565 0.6565 0.8700 0.8700 1.5267 1.5267 1.6160 1.6160 5.4584 5.4584 8.2391 8.2391 8.5118 8.5118 8.9204 8.9204 k = 0.2340 0.2572-0.0000 ( 5881 PWs) bands (ev): -48.3155 -48.3155 -48.3139 -48.3139 -20.3683 -20.3683 -20.3566 -20.3566 -20.1945 -20.1945 -20.1854 -20.1854 -20.1800 -20.1800 -20.1761 -20.1761 -3.8336 -3.8336 -2.6929 -2.6929 0.2517 0.2517 0.3296 0.3296 0.6494 0.6494 0.8505 0.8505 1.5297 1.5297 1.6272 1.6272 5.3584 5.3584 8.1015 8.1015 8.4957 8.4957 8.9062 8.9062 k = 0.2447 0.2689-0.0000 ( 5873 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3679 -20.3679 -20.3571 -20.3571 -20.1947 -20.1947 -20.1843 -20.1843 -20.1811 -20.1811 -20.1759 -20.1759 -3.8097 -3.8097 -2.6881 -2.6881 0.2471 0.2471 0.3253 0.3253 0.6429 0.6429 0.8314 0.8314 1.5321 1.5321 1.6389 1.6389 5.2605 5.2605 7.9666 7.9666 8.4740 8.4740 8.9001 8.9001 k = 0.2553 0.2805-0.0000 ( 5889 PWs) bands (ev): -48.3153 -48.3153 -48.3141 -48.3141 -20.3677 -20.3677 -20.3577 -20.3577 -20.1951 -20.1951 -20.1833 -20.1833 -20.1823 -20.1823 -20.1758 -20.1758 -3.7855 -3.7855 -2.6833 -2.6833 0.2422 0.2422 0.3211 0.3211 0.6371 0.6371 0.8128 0.8128 1.5341 1.5341 1.6510 1.6510 5.1646 5.1646 7.8352 7.8352 8.4478 8.4478 8.9011 8.9011 k = 0.2660 0.2922-0.0000 ( 5877 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3674 -20.3674 -20.3581 -20.3581 -20.1953 -20.1953 -20.1833 -20.1833 -20.1821 -20.1821 -20.1756 -20.1756 -3.7612 -3.7612 -2.6786 -2.6786 0.2370 0.2370 0.3170 0.3170 0.6319 0.6319 0.7948 0.7948 1.5356 1.5356 1.6635 1.6635 5.0708 5.0708 7.7077 7.7077 8.4183 8.4183 8.9082 8.9082 k = 0.2766 0.3039-0.0000 ( 5885 PWs) bands (ev): -48.3151 -48.3151 -48.3142 -48.3142 -20.3671 -20.3671 -20.3587 -20.3587 -20.1955 -20.1955 -20.1844 -20.1844 -20.1811 -20.1811 -20.1754 -20.1754 -3.7369 -3.7369 -2.6738 -2.6738 0.2316 0.2316 0.3129 0.3129 0.6274 0.6274 0.7772 0.7772 1.5367 1.5367 1.6765 1.6765 4.9791 4.9791 7.5846 7.5846 8.3866 8.3866 8.9199 8.9199 k = 0.2872 0.3156-0.0000 ( 5885 PWs) bands (ev): -48.3150 -48.3150 -48.3143 -48.3143 -20.3668 -20.3668 -20.3592 -20.3592 -20.1958 -20.1958 -20.1855 -20.1855 -20.1800 -20.1800 -20.1752 -20.1752 -3.7126 -3.7126 -2.6691 -2.6691 0.2260 0.2260 0.3089 0.3089 0.6235 0.6235 0.7602 0.7602 1.5373 1.5373 1.6900 1.6900 4.8894 4.8894 7.4660 7.4660 8.3539 8.3539 8.9353 8.9353 k = 0.2979 0.3273-0.0000 ( 5877 PWs) bands (ev): -48.3150 -48.3150 -48.3144 -48.3144 -20.3665 -20.3665 -20.3598 -20.3598 -20.1960 -20.1960 -20.1865 -20.1865 -20.1788 -20.1788 -20.1751 -20.1751 -3.6886 -3.6886 -2.6645 -2.6645 0.2203 0.2203 0.3050 0.3050 0.6202 0.6202 0.7438 0.7438 1.5377 1.5377 1.7040 1.7040 4.8019 4.8019 7.3525 7.3525 8.3209 8.3209 8.9534 8.9534 k = 0.3085 0.3390-0.0000 ( 5873 PWs) bands (ev): -48.3149 -48.3149 -48.3145 -48.3145 -20.3662 -20.3662 -20.3603 -20.3603 -20.1962 -20.1962 -20.1875 -20.1875 -20.1778 -20.1778 -20.1749 -20.1749 -3.6649 -3.6649 -2.6600 -2.6600 0.2145 0.2145 0.3012 0.3012 0.6175 0.6175 0.7280 0.7280 1.5377 1.5377 1.7185 1.7185 4.7165 4.7165 7.2441 7.2441 8.2882 8.2882 8.9737 8.9737 k = 0.3191 0.3507-0.0000 ( 5889 PWs) bands (ev): -48.3148 -48.3148 -48.3145 -48.3145 -20.3660 -20.3660 -20.3609 -20.3609 -20.1965 -20.1965 -20.1885 -20.1885 -20.1767 -20.1767 -20.1748 -20.1748 -3.6416 -3.6416 -2.6555 -2.6555 0.2086 0.2086 0.2975 0.2975 0.6154 0.6154 0.7129 0.7129 1.5375 1.5375 1.7334 1.7334 4.6334 4.6334 7.1411 7.1411 8.2562 8.2562 8.9956 8.9956 k = 0.3298 0.3624-0.0000 ( 5881 PWs) bands (ev): -48.3147 -48.3147 -48.3146 -48.3146 -20.3658 -20.3658 -20.3614 -20.3614 -20.1967 -20.1967 -20.1894 -20.1894 -20.1757 -20.1757 -20.1746 -20.1746 -3.6189 -3.6189 -2.6512 -2.6512 0.2027 0.2027 0.2940 0.2940 0.6138 0.6138 0.6984 0.6984 1.5370 1.5370 1.7488 1.7488 4.5526 4.5526 7.0436 7.0436 8.2254 8.2254 9.0187 9.0187 k = 0.3404 0.3741-0.0000 ( 5889 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3655 -20.3655 -20.3619 -20.3619 -20.1969 -20.1969 -20.1903 -20.1903 -20.1747 -20.1747 -20.1745 -20.1745 -3.5968 -3.5968 -2.6471 -2.6471 0.1969 0.1969 0.2906 0.2906 0.6126 0.6126 0.6847 0.6847 1.5363 1.5363 1.7647 1.7647 4.4743 4.4743 6.9518 6.9518 8.1958 8.1958 9.0426 9.0426 k = 0.3511 0.3857-0.0000 ( 5893 PWs) bands (ev): -48.3147 -48.3147 -48.3146 -48.3146 -20.3653 -20.3653 -20.3625 -20.3625 -20.1971 -20.1971 -20.1912 -20.1912 -20.1744 -20.1744 -20.1737 -20.1737 -3.5755 -3.5755 -2.6431 -2.6431 0.1912 0.1912 0.2874 0.2874 0.6119 0.6119 0.6717 0.6717 1.5355 1.5355 1.7809 1.7809 4.3987 4.3987 6.8658 6.8658 8.1677 8.1677 9.0670 9.0670 k = 0.3617 0.3974-0.0000 ( 5892 PWs) bands (ev): -48.3148 -48.3148 -48.3145 -48.3145 -20.3651 -20.3651 -20.3629 -20.3629 -20.1973 -20.1973 -20.1920 -20.1920 -20.1743 -20.1743 -20.1728 -20.1728 -3.5552 -3.5552 -2.6393 -2.6393 0.1857 0.1857 0.2845 0.2845 0.6115 0.6115 0.6595 0.6595 1.5346 1.5346 1.7974 1.7974 4.3259 4.3259 6.7857 6.7857 8.1413 8.1413 9.0915 9.0915 k = 0.3723 0.4091-0.0000 ( 5896 PWs) bands (ev): -48.3149 -48.3149 -48.3145 -48.3145 -20.3650 -20.3650 -20.3634 -20.3634 -20.1974 -20.1974 -20.1928 -20.1928 -20.1742 -20.1742 -20.1720 -20.1720 -3.5358 -3.5358 -2.6357 -2.6357 0.1803 0.1803 0.2816 0.2816 0.6114 0.6114 0.6481 0.6481 1.5336 1.5336 1.8141 1.8141 4.2563 4.2563 6.7115 6.7115 8.1165 8.1165 9.1158 9.1158 k = 0.3830 0.4208-0.0000 ( 5904 PWs) bands (ev): -48.3150 -48.3150 -48.3144 -48.3144 -20.3649 -20.3649 -20.3638 -20.3638 -20.1977 -20.1977 -20.1934 -20.1934 -20.1740 -20.1740 -20.1712 -20.1712 -3.5175 -3.5175 -2.6324 -2.6324 0.1752 0.1752 0.2790 0.2790 0.6116 0.6116 0.6375 0.6375 1.5325 1.5325 1.8308 1.8308 4.1901 4.1901 6.6432 6.6432 8.0936 8.0936 9.1398 9.1398 k = 0.3936 0.4325-0.0000 ( 5880 PWs) bands (ev): -48.3150 -48.3150 -48.3144 -48.3144 -20.3646 -20.3646 -20.3642 -20.3642 -20.1978 -20.1978 -20.1940 -20.1940 -20.1738 -20.1738 -20.1703 -20.1703 -3.5004 -3.5004 -2.6292 -2.6292 0.1704 0.1704 0.2767 0.2767 0.6119 0.6119 0.6277 0.6277 1.5314 1.5314 1.8473 1.8473 4.1277 4.1277 6.5810 6.5810 8.0725 8.0725 9.1631 9.1631 k = 0.4043 0.4442-0.0000 ( 5880 PWs) bands (ev): -48.3150 -48.3150 -48.3143 -48.3143 -20.3646 -20.3646 -20.3645 -20.3645 -20.1979 -20.1979 -20.1946 -20.1946 -20.1737 -20.1737 -20.1696 -20.1696 -3.4847 -3.4847 -2.6264 -2.6264 0.1659 0.1659 0.2745 0.2745 0.6124 0.6124 0.6188 0.6188 1.5304 1.5304 1.8635 1.8635 4.0694 4.0694 6.5247 6.5247 8.0534 8.0534 9.1853 9.1853 k = 0.4149 0.4559-0.0000 ( 5872 PWs) bands (ev): -48.3151 -48.3151 -48.3143 -48.3143 -20.3649 -20.3649 -20.3644 -20.3644 -20.1981 -20.1981 -20.1951 -20.1951 -20.1736 -20.1736 -20.1689 -20.1689 -3.4703 -3.4703 -2.6237 -2.6237 0.1618 0.1618 0.2725 0.2725 0.6107 0.6107 0.6130 0.6130 1.5293 1.5293 1.8792 1.8792 4.0155 4.0155 6.4745 6.4745 8.0361 8.0361 9.2062 9.2062 k = 0.4255 0.4676-0.0000 ( 5860 PWs) bands (ev): -48.3151 -48.3151 -48.3142 -48.3142 -20.3652 -20.3652 -20.3642 -20.3642 -20.1982 -20.1982 -20.1956 -20.1956 -20.1735 -20.1735 -20.1682 -20.1682 -3.4574 -3.4574 -2.6214 -2.6214 0.1582 0.1582 0.2708 0.2708 0.6036 0.6036 0.6137 0.6137 1.5284 1.5284 1.8940 1.8940 3.9666 3.9666 6.4302 6.4302 8.0209 8.0209 9.2256 9.2256 k = 0.4362 0.4793-0.0000 ( 5860 PWs) bands (ev): -48.3151 -48.3151 -48.3142 -48.3142 -20.3655 -20.3655 -20.3641 -20.3641 -20.1983 -20.1983 -20.1960 -20.1960 -20.1735 -20.1735 -20.1677 -20.1677 -3.4461 -3.4461 -2.6194 -2.6194 0.1549 0.1549 0.2693 0.2693 0.5973 0.5973 0.6143 0.6143 1.5275 1.5275 1.9077 1.9077 3.9230 3.9230 6.3919 6.3919 8.0077 8.0077 9.2431 9.2431 k = 0.4468 0.4909-0.0000 ( 5860 PWs) bands (ev): -48.3151 -48.3151 -48.3142 -48.3142 -20.3658 -20.3658 -20.3640 -20.3640 -20.1984 -20.1984 -20.1964 -20.1964 -20.1734 -20.1734 -20.1672 -20.1672 -3.4364 -3.4364 -2.6176 -2.6176 0.1521 0.1521 0.2680 0.2680 0.5920 0.5920 0.6150 0.6150 1.5267 1.5267 1.9199 1.9199 3.8852 3.8852 6.3596 6.3596 7.9964 7.9964 9.2584 9.2584 k = 0.4574 0.5026-0.0000 ( 5852 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3659 -20.3659 -20.3640 -20.3640 -20.1984 -20.1984 -20.1966 -20.1966 -20.1733 -20.1733 -20.1669 -20.1669 -3.4284 -3.4284 -2.6162 -2.6162 0.1498 0.1498 0.2670 0.2670 0.5877 0.5877 0.6155 0.6155 1.5260 1.5260 1.9305 1.9305 3.8536 3.8536 6.3331 6.3331 7.9872 7.9872 9.2713 9.2713 k = 0.4681 0.5143-0.0000 ( 5840 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3660 -20.3660 -20.3639 -20.3639 -20.1985 -20.1985 -20.1968 -20.1968 -20.1733 -20.1733 -20.1666 -20.1666 -3.4221 -3.4221 -2.6150 -2.6150 0.1480 0.1480 0.2662 0.2662 0.5843 0.5843 0.6160 0.6160 1.5255 1.5255 1.9390 1.9390 3.8285 3.8285 6.3126 6.3126 7.9800 7.9800 9.2817 9.2817 k = 0.4787 0.5260-0.0000 ( 5852 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3661 -20.3661 -20.3639 -20.3639 -20.1985 -20.1985 -20.1969 -20.1969 -20.1733 -20.1733 -20.1665 -20.1665 -3.4176 -3.4176 -2.6142 -2.6142 0.1466 0.1466 0.2656 0.2656 0.5819 0.5819 0.6163 0.6163 1.5251 1.5251 1.9453 1.9453 3.8104 3.8104 6.2980 6.2980 7.9749 7.9749 9.2892 9.2892 k = 0.4894 0.5377-0.0000 ( 5856 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3662 -20.3662 -20.3639 -20.3639 -20.1985 -20.1985 -20.1970 -20.1970 -20.1733 -20.1733 -20.1664 -20.1664 -3.4149 -3.4149 -2.6137 -2.6137 0.1459 0.1459 0.2653 0.2653 0.5804 0.5804 0.6165 0.6165 1.5249 1.5249 1.9492 1.9492 3.7994 3.7994 6.2892 6.2892 7.9718 7.9718 9.2937 9.2937 k = 0.5000 0.5494-0.0000 ( 5856 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3662 -20.3662 -20.3639 -20.3639 -20.1985 -20.1985 -20.1971 -20.1971 -20.1732 -20.1732 -20.1663 -20.1663 -3.4140 -3.4140 -2.6136 -2.6136 0.1456 0.1456 0.2651 0.2651 0.5799 0.5799 0.6166 0.6166 1.5248 1.5248 1.9505 1.9505 3.7957 3.7957 6.2863 6.2863 7.9708 7.9708 9.2953 9.2953 k = 0.5000 0.5494-0.0000 ( 5856 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3662 -20.3662 -20.3639 -20.3639 -20.1985 -20.1985 -20.1971 -20.1971 -20.1732 -20.1732 -20.1663 -20.1663 -3.4140 -3.4140 -2.6136 -2.6136 0.1456 0.1456 0.2651 0.2651 0.5799 0.5799 0.6166 0.6166 1.5248 1.5248 1.9505 1.9505 3.7957 3.7957 6.2863 6.2863 7.9708 7.9708 9.2953 9.2953 k = 0.4917 0.5569 0.0112 ( 5857 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3662 -20.3662 -20.3639 -20.3639 -20.1985 -20.1985 -20.1971 -20.1971 -20.1733 -20.1733 -20.1663 -20.1663 -3.4135 -3.4135 -2.6140 -2.6140 0.1422 0.1422 0.2677 0.2677 0.5784 0.5784 0.6173 0.6173 1.5246 1.5246 1.9506 1.9506 3.7979 3.7979 6.2903 6.2903 7.9728 7.9728 9.2877 9.2877 k = 0.4835 0.5644 0.0223 ( 5859 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3663 -20.3663 -20.3639 -20.3639 -20.1985 -20.1985 -20.1971 -20.1971 -20.1733 -20.1733 -20.1663 -20.1663 -3.4121 -3.4121 -2.6154 -2.6154 0.1325 0.1325 0.2747 0.2747 0.5744 0.5744 0.6189 0.6189 1.5238 1.5238 1.9510 1.9510 3.8045 3.8045 6.3023 6.3023 7.9789 7.9789 9.2653 9.2653 k = 0.4752 0.5719 0.0335 ( 5867 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3663 -20.3663 -20.3638 -20.3638 -20.1985 -20.1985 -20.1971 -20.1971 -20.1734 -20.1734 -20.1663 -20.1663 -3.4098 -3.4098 -2.6177 -2.6177 0.1177 0.1177 0.2849 0.2849 0.5688 0.5688 0.6209 0.6209 1.5226 1.5226 1.9516 1.9516 3.8153 3.8153 6.3222 6.3222 7.9891 7.9891 9.2291 9.2291 k = 0.4670 0.5795 0.0447 ( 5867 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3663 -20.3663 -20.3638 -20.3638 -20.1984 -20.1984 -20.1971 -20.1971 -20.1735 -20.1735 -20.1663 -20.1663 -3.4066 -3.4066 -2.6208 -2.6208 0.0986 0.0986 0.2972 0.2972 0.5626 0.5626 0.6227 0.6227 1.5209 1.5209 1.9524 1.9524 3.8306 3.8306 6.3495 6.3495 8.0035 8.0035 9.1805 9.1805 k = 0.4587 0.5870 0.0558 ( 5867 PWs) bands (ev): -48.3153 -48.3153 -48.3141 -48.3141 -20.3664 -20.3664 -20.3637 -20.3637 -20.1983 -20.1983 -20.1971 -20.1971 -20.1736 -20.1736 -20.1663 -20.1663 -3.4026 -3.4026 -2.6247 -2.6247 0.0758 0.0758 0.3107 0.3107 0.5568 0.5568 0.6242 0.6242 1.5187 1.5187 1.9533 1.9533 3.8500 3.8500 6.3839 6.3839 8.0221 8.0221 9.1214 9.1214 k = 0.4505 0.5945 0.0670 ( 5865 PWs) bands (ev): -48.3153 -48.3153 -48.3141 -48.3141 -20.3664 -20.3664 -20.3636 -20.3636 -20.1981 -20.1981 -20.1972 -20.1972 -20.1738 -20.1738 -20.1663 -20.1663 -3.3979 -3.3979 -2.6294 -2.6294 0.0495 0.0495 0.3247 0.3247 0.5519 0.5519 0.6253 0.6253 1.5160 1.5160 1.9542 1.9542 3.8737 3.8737 6.4249 6.4249 8.0450 8.0450 9.0536 9.0536 k = 0.4422 0.6020 0.0782 ( 5867 PWs) bands (ev): -48.3153 -48.3153 -48.3141 -48.3141 -20.3665 -20.3665 -20.3634 -20.3634 -20.1980 -20.1980 -20.1972 -20.1972 -20.1740 -20.1740 -20.1663 -20.1663 -3.3925 -3.3925 -2.6348 -2.6348 0.0200 0.0200 0.3387 0.3387 0.5488 0.5488 0.6261 0.6261 1.5129 1.5129 1.9551 1.9551 3.9015 3.9015 6.4718 6.4718 8.0723 8.0723 8.9793 8.9793 k = 0.4339 0.6095 0.0893 ( 5871 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3666 -20.3666 -20.3633 -20.3633 -20.1978 -20.1978 -20.1972 -20.1972 -20.1741 -20.1741 -20.1662 -20.1662 -3.3865 -3.3865 -2.6409 -2.6409 -0.0126 -0.0126 0.3521 0.3521 0.5478 0.5478 0.6270 0.6270 1.5094 1.5094 1.9557 1.9557 3.9333 3.9333 6.5239 6.5239 8.1037 8.1037 8.9005 8.9005 k = 0.4257 0.6170 0.1005 ( 5879 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3666 -20.3666 -20.3632 -20.3632 -20.1977 -20.1977 -20.1972 -20.1972 -20.1743 -20.1743 -20.1663 -20.1663 -3.3801 -3.3801 -2.6476 -2.6476 -0.0479 -0.0479 0.3644 0.3644 0.5493 0.5493 0.6285 0.6285 1.5055 1.5055 1.9562 1.9562 3.9692 3.9692 6.5804 6.5804 8.1388 8.1388 8.8195 8.8195 k = 0.4174 0.6245 0.1116 ( 5873 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3667 -20.3667 -20.3631 -20.3631 -20.1975 -20.1975 -20.1971 -20.1971 -20.1745 -20.1745 -20.1662 -20.1662 -3.3734 -3.3734 -2.6548 -2.6548 -0.0856 -0.0856 0.3752 0.3752 0.5529 0.5529 0.6312 0.6312 1.5012 1.5012 1.9563 1.9563 4.0088 4.0088 6.6405 6.6405 8.1764 8.1764 8.7392 8.7392 k = 0.4092 0.6321 0.1228 ( 5875 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3668 -20.3668 -20.3629 -20.3629 -20.1975 -20.1975 -20.1970 -20.1970 -20.1748 -20.1748 -20.1662 -20.1662 -3.3665 -3.3665 -2.6624 -2.6624 -0.1251 -0.1251 0.3843 0.3843 0.5577 0.5577 0.6364 0.6364 1.4965 1.4965 1.9561 1.9561 4.0523 4.0523 6.7035 6.7035 8.2130 8.2130 8.6645 8.6645 k = 0.4009 0.6396 0.1340 ( 5871 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3668 -20.3668 -20.3627 -20.3627 -20.1974 -20.1974 -20.1968 -20.1968 -20.1750 -20.1750 -20.1662 -20.1662 -3.3596 -3.3596 -2.6704 -2.6704 -0.1661 -0.1661 0.3916 0.3916 0.5624 0.5624 0.6454 0.6454 1.4916 1.4916 1.9556 1.9556 4.0993 4.0993 6.7684 6.7684 8.2409 8.2409 8.6043 8.6043 k = 0.4009 0.6396 0.1340 ( 5871 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3668 -20.3668 -20.3627 -20.3627 -20.1974 -20.1974 -20.1968 -20.1968 -20.1750 -20.1750 -20.1662 -20.1662 -3.3596 -3.3596 -2.6704 -2.6704 -0.1661 -0.1661 0.3916 0.3916 0.5624 0.5624 0.6454 0.6454 1.4916 1.4916 1.9556 1.9556 4.0993 4.0993 6.7684 6.7684 8.2409 8.2409 8.6043 8.6043 k = 0.3876 0.6350 0.1408 ( 5876 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3669 -20.3669 -20.3626 -20.3626 -20.1974 -20.1974 -20.1966 -20.1966 -20.1752 -20.1752 -20.1662 -20.1662 -3.3559 -3.3559 -2.6755 -2.6755 -0.1912 -0.1912 0.3953 0.3953 0.5644 0.5644 0.6534 0.6534 1.4885 1.4885 1.9543 1.9543 4.1321 4.1321 6.8101 6.8101 8.2474 8.2474 8.5815 8.5815 k = 0.3742 0.6304 0.1476 ( 5875 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3669 -20.3669 -20.3625 -20.3625 -20.1974 -20.1974 -20.1965 -20.1965 -20.1753 -20.1753 -20.1663 -20.1663 -3.3532 -3.3532 -2.6808 -2.6808 -0.2159 -0.2159 0.3986 0.3986 0.5652 0.5652 0.6638 0.6638 1.4852 1.4852 1.9514 1.9514 4.1710 4.1710 6.8549 6.8549 8.2404 8.2404 8.5748 8.5748 k = 0.3608 0.6258 0.1544 ( 5870 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3669 -20.3669 -20.3624 -20.3624 -20.1973 -20.1973 -20.1962 -20.1962 -20.1755 -20.1755 -20.1664 -20.1664 -3.3515 -3.3515 -2.6863 -2.6863 -0.2400 -0.2400 0.4016 0.4016 0.5646 0.5646 0.6766 0.6766 1.4819 1.4819 1.9470 1.9470 4.2159 4.2159 6.9027 6.9027 8.2181 8.2181 8.5864 8.5864 k = 0.3475 0.6213 0.1612 ( 5869 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3668 -20.3668 -20.3623 -20.3623 -20.1972 -20.1972 -20.1960 -20.1960 -20.1757 -20.1757 -20.1665 -20.1665 -3.3507 -3.3507 -2.6919 -2.6919 -0.2634 -0.2634 0.4044 0.4044 0.5626 0.5626 0.6916 0.6916 1.4784 1.4784 1.9413 1.9413 4.2665 4.2665 6.9530 6.9530 8.1827 8.1827 8.6144 8.6144 k = 0.3341 0.6167 0.1680 ( 5867 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3668 -20.3668 -20.3622 -20.3622 -20.1970 -20.1970 -20.1958 -20.1958 -20.1759 -20.1759 -20.1667 -20.1667 -3.3507 -3.3507 -2.6977 -2.6977 -0.2861 -0.2861 0.4070 0.4070 0.5594 0.5594 0.7083 0.7083 1.4748 1.4748 1.9345 1.9345 4.3228 4.3228 7.0057 7.0057 8.1384 8.1384 8.6547 8.6547 k = 0.3207 0.6121 0.1748 ( 5871 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3667 -20.3667 -20.3621 -20.3621 -20.1968 -20.1968 -20.1955 -20.1955 -20.1762 -20.1762 -20.1670 -20.1670 -3.3516 -3.3516 -2.7035 -2.7035 -0.3079 -0.3079 0.4094 0.4094 0.5553 0.5553 0.7265 0.7265 1.4710 1.4710 1.9267 1.9267 4.3843 4.3843 7.0605 7.0605 8.0887 8.0887 8.7043 8.7043 k = 0.3074 0.6075 0.1816 ( 5874 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3666 -20.3666 -20.3621 -20.3621 -20.1966 -20.1966 -20.1952 -20.1952 -20.1765 -20.1765 -20.1673 -20.1673 -3.3532 -3.3532 -2.7094 -2.7094 -0.3287 -0.3287 0.4116 0.4116 0.5503 0.5503 0.7459 0.7459 1.4672 1.4672 1.9181 1.9181 4.4509 4.4509 7.1171 7.1171 8.0359 8.0359 8.7608 8.7608 k = 0.2940 0.6029 0.1884 ( 5876 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3665 -20.3665 -20.3620 -20.3620 -20.1963 -20.1963 -20.1949 -20.1949 -20.1767 -20.1767 -20.1676 -20.1676 -3.3556 -3.3556 -2.7154 -2.7154 -0.3485 -0.3485 0.4138 0.4138 0.5447 0.5447 0.7661 0.7661 1.4632 1.4632 1.9089 1.9089 4.5222 4.5222 7.1753 7.1753 7.9817 7.9817 8.8231 8.8231 k = 0.2806 0.5984 0.1952 ( 5878 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3664 -20.3664 -20.3619 -20.3619 -20.1960 -20.1960 -20.1946 -20.1946 -20.1770 -20.1770 -20.1680 -20.1680 -3.3586 -3.3586 -2.7213 -2.7213 -0.3673 -0.3673 0.4157 0.4157 0.5386 0.5386 0.7871 0.7871 1.4591 1.4591 1.8993 1.8993 4.5978 4.5978 7.2348 7.2348 7.9272 7.9272 8.8899 8.8899 k = 0.2673 0.5938 0.2020 ( 5875 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3663 -20.3663 -20.3618 -20.3618 -20.1957 -20.1957 -20.1943 -20.1943 -20.1773 -20.1773 -20.1684 -20.1684 -3.3621 -3.3621 -2.7272 -2.7271 -0.3850 -0.3850 0.4175 0.4175 0.5321 0.5321 0.8085 0.8085 1.4549 1.4549 1.8895 1.8895 4.6774 4.6774 7.2951 7.2951 7.8734 7.8734 8.9607 8.9607 k = 0.2539 0.5892 0.2088 ( 5879 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3661 -20.3661 -20.3618 -20.3618 -20.1954 -20.1954 -20.1940 -20.1940 -20.1777 -20.1777 -20.1689 -20.1689 -3.3661 -3.3661 -2.7330 -2.7330 -0.4016 -0.4016 0.4190 0.4190 0.5255 0.5255 0.8302 0.8302 1.4505 1.4505 1.8797 1.8797 4.7606 4.7606 7.3554 7.3554 7.8218 7.8218 9.0348 9.0348 k = 0.2405 0.5846 0.2156 ( 5881 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3660 -20.3660 -20.3617 -20.3617 -20.1950 -20.1950 -20.1936 -20.1936 -20.1780 -20.1780 -20.1694 -20.1694 -3.3706 -3.3706 -2.7387 -2.7387 -0.4171 -0.4171 0.4201 0.4201 0.5188 0.5188 0.8521 0.8521 1.4461 1.4461 1.8699 1.8699 4.8469 4.8469 7.4141 7.4141 7.7741 7.7741 9.1114 9.1114 k = 0.2272 0.5801 0.2224 ( 5881 PWs) bands (ev): -48.3153 -48.3153 -48.3141 -48.3141 -20.3658 -20.3658 -20.3617 -20.3617 -20.1945 -20.1945 -20.1932 -20.1932 -20.1783 -20.1783 -20.1700 -20.1700 -3.3754 -3.3754 -2.7442 -2.7442 -0.4315 -0.4315 0.4208 0.4208 0.5122 0.5122 0.8740 0.8740 1.4416 1.4416 1.8604 1.8604 4.9360 4.9360 7.4673 7.4673 7.7345 7.7345 9.1899 9.1899 k = 0.2138 0.5755 0.2292 ( 5876 PWs) bands (ev): -48.3153 -48.3153 -48.3141 -48.3141 -20.3656 -20.3656 -20.3617 -20.3617 -20.1940 -20.1940 -20.1928 -20.1928 -20.1786 -20.1786 -20.1705 -20.1705 -3.3804 -3.3804 -2.7496 -2.7496 -0.4448 -0.4448 0.4209 0.4209 0.5060 0.5060 0.8957 0.8957 1.4370 1.4370 1.8511 1.8511 5.0272 5.0272 7.5053 7.5053 7.7131 7.7131 9.2695 9.2695 k = 0.2005 0.5709 0.2360 ( 5875 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3654 -20.3654 -20.3616 -20.3616 -20.1935 -20.1935 -20.1925 -20.1925 -20.1790 -20.1790 -20.1712 -20.1712 -3.3856 -3.3856 -2.7548 -2.7548 -0.4571 -0.4571 0.4203 0.4203 0.5003 0.5003 0.9172 0.9172 1.4323 1.4323 1.8422 1.8422 5.1203 5.1203 7.5134 7.5134 7.7247 7.7247 9.3490 9.3490 k = 0.1871 0.5663 0.2428 ( 5879 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3652 -20.3652 -20.3616 -20.3616 -20.1930 -20.1930 -20.1921 -20.1921 -20.1794 -20.1794 -20.1718 -20.1718 -3.3909 -3.3909 -2.7598 -2.7598 -0.4683 -0.4683 0.4189 0.4189 0.4953 0.4953 0.9382 0.9382 1.4277 1.4277 1.8338 1.8338 5.2144 5.2144 7.4933 7.4933 7.7676 7.7676 9.4271 9.4271 k = 0.1737 0.5617 0.2496 ( 5883 PWs) bands (ev): -48.3152 -48.3152 -48.3142 -48.3142 -20.3650 -20.3650 -20.3616 -20.3616 -20.1925 -20.1925 -20.1916 -20.1916 -20.1798 -20.1798 -20.1725 -20.1725 -3.3961 -3.3961 -2.7646 -2.7646 -0.4784 -0.4784 0.4167 0.4167 0.4913 0.4913 0.9587 0.9587 1.4230 1.4230 1.8259 1.8259 5.3092 5.3092 7.4604 7.4604 7.8265 7.8265 9.5016 9.5016 k = 0.1604 0.5572 0.2564 ( 5890 PWs) bands (ev): -48.3152 -48.3152 -48.3142 -48.3142 -20.3648 -20.3648 -20.3617 -20.3617 -20.1919 -20.1919 -20.1912 -20.1912 -20.1802 -20.1802 -20.1732 -20.1732 -3.4014 -3.4014 -2.7691 -2.7691 -0.4876 -0.4876 0.4136 0.4136 0.4881 0.4881 0.9785 0.9785 1.4183 1.4183 1.8185 1.8185 5.4039 5.4039 7.4238 7.4238 7.8924 7.8924 9.5665 9.5665 k = 0.1470 0.5526 0.2632 ( 5894 PWs) bands (ev): -48.3151 -48.3151 -48.3142 -48.3142 -20.3646 -20.3646 -20.3617 -20.3617 -20.1913 -20.1913 -20.1908 -20.1908 -20.1806 -20.1806 -20.1739 -20.1739 -3.4065 -3.4065 -2.7733 -2.7733 -0.4959 -0.4959 0.4097 0.4097 0.4859 0.4859 0.9975 0.9975 1.4137 1.4137 1.8117 1.8117 5.4977 5.4977 7.3870 7.3870 7.9614 7.9614 9.5890 9.5890 k = 0.1336 0.5480 0.2700 ( 5892 PWs) bands (ev): -48.3151 -48.3151 -48.3143 -48.3143 -20.3644 -20.3644 -20.3617 -20.3617 -20.1907 -20.1907 -20.1902 -20.1902 -20.1810 -20.1810 -20.1747 -20.1747 -3.4114 -3.4114 -2.7772 -2.7772 -0.5033 -0.5033 0.4053 0.4053 0.4844 0.4844 1.0156 1.0156 1.4091 1.4091 1.8054 1.8054 5.5898 5.5898 7.3516 7.3516 8.0317 8.0317 9.5239 9.5239 k = 0.1203 0.5434 0.2768 ( 5889 PWs) bands (ev): -48.3150 -48.3150 -48.3143 -48.3143 -20.3642 -20.3642 -20.3617 -20.3617 -20.1902 -20.1902 -20.1897 -20.1897 -20.1815 -20.1815 -20.1754 -20.1754 -3.4160 -3.4160 -2.7809 -2.7809 -0.5098 -0.5098 0.4006 0.4006 0.4835 0.4835 1.0326 1.0326 1.4047 1.4047 1.7998 1.7998 5.6794 5.6794 7.3185 7.3185 8.1018 8.1018 9.4386 9.4386 k = 0.1069 0.5388 0.2836 ( 5902 PWs) bands (ev): -48.3150 -48.3150 -48.3144 -48.3144 -20.3640 -20.3640 -20.3617 -20.3617 -20.1897 -20.1897 -20.1891 -20.1891 -20.1819 -20.1819 -20.1763 -20.1763 -3.4203 -3.4203 -2.7841 -2.7841 -0.5155 -0.5155 0.3958 0.3958 0.4831 0.4831 1.0483 1.0483 1.4004 1.4004 1.7947 1.7947 5.7652 5.7652 7.2881 7.2881 8.1707 8.1707 9.3558 9.3558 k = 0.0935 0.5343 0.2904 ( 5899 PWs) bands (ev): -48.3150 -48.3150 -48.3144 -48.3144 -20.3638 -20.3638 -20.3618 -20.3618 -20.1892 -20.1892 -20.1884 -20.1884 -20.1824 -20.1824 -20.1770 -20.1770 -3.4243 -3.4243 -2.7870 -2.7870 -0.5204 -0.5204 0.3912 0.3912 0.4830 0.4830 1.0627 1.0627 1.3963 1.3963 1.7903 1.7903 5.8461 5.8461 7.2606 7.2606 8.2366 8.2366 9.2801 9.2801 k = 0.0802 0.5297 0.2972 ( 5899 PWs) bands (ev): -48.3149 -48.3149 -48.3144 -48.3144 -20.3636 -20.3636 -20.3619 -20.3619 -20.1887 -20.1887 -20.1877 -20.1877 -20.1828 -20.1828 -20.1779 -20.1779 -3.4278 -3.4278 -2.7896 -2.7896 -0.5245 -0.5245 0.3868 0.3868 0.4831 0.4831 1.0757 1.0757 1.3926 1.3926 1.7864 1.7864 5.9208 5.9208 7.2364 7.2364 8.2978 8.2978 9.2141 9.2141 k = 0.0668 0.5251 0.3040 ( 5894 PWs) bands (ev): -48.3149 -48.3149 -48.3145 -48.3145 -20.3634 -20.3634 -20.3619 -20.3619 -20.1882 -20.1882 -20.1870 -20.1870 -20.1832 -20.1832 -20.1787 -20.1787 -3.4308 -3.4308 -2.7918 -2.7918 -0.5280 -0.5280 0.3829 0.3829 0.4833 0.4833 1.0869 1.0869 1.3892 1.3892 1.7832 1.7832 5.9878 5.9878 7.2157 7.2157 8.3522 8.3522 9.1601 9.1601 k = 0.0535 0.5205 0.3108 ( 5894 PWs) bands (ev): -48.3149 -48.3149 -48.3145 -48.3145 -20.3633 -20.3633 -20.3620 -20.3620 -20.1877 -20.1877 -20.1862 -20.1862 -20.1836 -20.1836 -20.1795 -20.1795 -3.4334 -3.4334 -2.7936 -2.7936 -0.5308 -0.5308 0.3795 0.3795 0.4835 0.4835 1.0964 1.0964 1.3862 1.3862 1.7805 1.7805 6.0456 6.0456 7.1985 7.1985 8.3975 8.3975 9.1196 9.1196 k = 0.0401 0.5160 0.3176 ( 5895 PWs) bands (ev): -48.3148 -48.3148 -48.3146 -48.3146 -20.3631 -20.3631 -20.3621 -20.3621 -20.1873 -20.1873 -20.1856 -20.1856 -20.1839 -20.1839 -20.1803 -20.1803 -3.4354 -3.4354 -2.7950 -2.7950 -0.5329 -0.5329 0.3768 0.3768 0.4838 0.4838 1.1040 1.1040 1.3838 1.3838 1.7785 1.7785 6.0926 6.0926 7.1850 7.1850 8.4320 8.4320 9.0931 9.0931 k = 0.0267 0.5114 0.3244 ( 5897 PWs) bands (ev): -48.3148 -48.3148 -48.3146 -48.3146 -20.3630 -20.3630 -20.3622 -20.3622 -20.1868 -20.1868 -20.1852 -20.1852 -20.1840 -20.1840 -20.1811 -20.1811 -3.4368 -3.4368 -2.7960 -2.7960 -0.5344 -0.5344 0.3748 0.3748 0.4840 0.4840 1.1095 1.1095 1.3820 1.3820 1.7770 1.7770 6.1274 6.1274 7.1753 7.1753 8.4553 8.4553 9.0787 9.0787 k = 0.0134 0.5068 0.3312 ( 5895 PWs) bands (ev): -48.3147 -48.3147 -48.3146 -48.3146 -20.3629 -20.3629 -20.3622 -20.3622 -20.1864 -20.1864 -20.1853 -20.1853 -20.1835 -20.1835 -20.1819 -20.1819 -3.4377 -3.4377 -2.7966 -2.7966 -0.5354 -0.5354 0.3736 0.3736 0.4841 0.4841 1.1128 1.1128 1.3809 1.3809 1.7761 1.7761 6.1488 6.1488 7.1694 7.1694 8.4684 8.4684 9.0728 9.0728 k = 0.0000 0.5022 0.3380 ( 5900 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3629 -20.3629 -20.3623 -20.3623 -20.1862 -20.1862 -20.1855 -20.1855 -20.1830 -20.1830 -20.1825 -20.1825 -3.4380 -3.4380 -2.7968 -2.7968 -0.5356 -0.5356 0.3732 0.3732 0.4842 0.4842 1.1139 1.1139 1.3805 1.3805 1.7758 1.7758 6.1560 6.1560 7.1674 7.1674 8.4725 8.4725 9.0713 9.0713 k = 0.0000 0.5022 0.3380 ( 5900 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3629 -20.3629 -20.3623 -20.3623 -20.1862 -20.1862 -20.1855 -20.1855 -20.1830 -20.1830 -20.1825 -20.1825 -3.4380 -3.4380 -2.7968 -2.7968 -0.5356 -0.5356 0.3732 0.3732 0.4842 0.4842 1.1139 1.1139 1.3805 1.3805 1.7758 1.7758 6.1560 6.1560 7.1674 7.1674 8.4725 8.4725 9.0713 9.0713 k = 0.0083 0.4946 0.3493 ( 5896 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3629 -20.3629 -20.3623 -20.3623 -20.1862 -20.1862 -20.1855 -20.1855 -20.1829 -20.1829 -20.1825 -20.1825 -3.4372 -3.4372 -2.7973 -2.7973 -0.5345 -0.5345 0.3729 0.3729 0.4842 0.4842 1.1110 1.1110 1.3813 1.3813 1.7759 1.7759 6.1486 6.1486 7.1700 7.1700 8.4772 8.4772 9.0800 9.0800 k = 0.0167 0.4871 0.3606 ( 5896 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3629 -20.3629 -20.3623 -20.3623 -20.1863 -20.1863 -20.1856 -20.1856 -20.1828 -20.1828 -20.1824 -20.1824 -3.4348 -3.4348 -2.7987 -2.7987 -0.5312 -0.5312 0.3720 0.3720 0.4845 0.4845 1.1023 1.1023 1.3834 1.3834 1.7759 1.7759 6.1267 6.1267 7.1776 7.1776 8.4912 8.4912 9.1056 9.1056 k = 0.0250 0.4795 0.3718 ( 5898 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3629 -20.3629 -20.3623 -20.3623 -20.1865 -20.1865 -20.1858 -20.1858 -20.1826 -20.1826 -20.1822 -20.1822 -3.4309 -3.4309 -2.8010 -2.8010 -0.5256 -0.5256 0.3705 0.3705 0.4849 0.4849 1.0882 1.0882 1.3867 1.3867 1.7760 1.7760 6.0914 6.0914 7.1900 7.1900 8.5144 8.5144 9.1473 9.1473 k = 0.0333 0.4719 0.3831 ( 5896 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3629 -20.3629 -20.3623 -20.3623 -20.1866 -20.1866 -20.1860 -20.1860 -20.1824 -20.1824 -20.1820 -20.1820 -3.4254 -3.4254 -2.8043 -2.8043 -0.5179 -0.5179 0.3682 0.3682 0.4854 0.4854 1.0694 1.0694 1.3908 1.3908 1.7761 1.7761 6.0442 6.0442 7.2066 7.2066 8.5468 8.5468 9.2037 9.2037 k = 0.0417 0.4643 0.3944 ( 5892 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3629 -20.3629 -20.3623 -20.3623 -20.1869 -20.1869 -20.1863 -20.1863 -20.1821 -20.1821 -20.1818 -20.1818 -3.4184 -3.4184 -2.8083 -2.8083 -0.5083 -0.5083 0.3651 0.3651 0.4862 0.4862 1.0464 1.0464 1.3954 1.3954 1.7761 1.7761 5.9868 5.9868 7.2270 7.2270 8.5879 8.5879 9.2730 9.2730 k = 0.0500 0.4567 0.4056 ( 5892 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3629 -20.3629 -20.3623 -20.3623 -20.1871 -20.1871 -20.1865 -20.1865 -20.1819 -20.1819 -20.1815 -20.1815 -3.4100 -3.4100 -2.8132 -2.8132 -0.4967 -0.4967 0.3611 0.3611 0.4872 0.4872 1.0200 1.0200 1.4003 1.4003 1.7762 1.7762 5.9210 5.9210 7.2509 7.2509 8.6375 8.6375 9.3534 9.3534 k = 0.0583 0.4491 0.4169 ( 5900 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3629 -20.3629 -20.3624 -20.3624 -20.1874 -20.1874 -20.1868 -20.1868 -20.1816 -20.1816 -20.1813 -20.1813 -3.4002 -3.4002 -2.8188 -2.8188 -0.4834 -0.4834 0.3561 0.3561 0.4884 0.4884 0.9909 0.9909 1.4053 1.4053 1.7761 1.7761 5.8486 5.8486 7.2781 7.2781 8.6949 8.6949 9.4426 9.4426 k = 0.0667 0.4415 0.4282 ( 5904 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3629 -20.3629 -20.3624 -20.3624 -20.1877 -20.1877 -20.1871 -20.1871 -20.1813 -20.1813 -20.1810 -20.1810 -3.3890 -3.3890 -2.8249 -2.8249 -0.4686 -0.4686 0.3498 0.3498 0.4899 0.4899 0.9598 0.9598 1.4102 1.4102 1.7760 1.7760 5.7712 5.7712 7.3082 7.3082 8.7594 8.7594 9.5384 9.5384 k = 0.0750 0.4340 0.4394 ( 5904 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3630 -20.3630 -20.3624 -20.3624 -20.1879 -20.1879 -20.1874 -20.1874 -20.1811 -20.1811 -20.1807 -20.1807 -3.3766 -3.3766 -2.8317 -2.8317 -0.4524 -0.4524 0.3421 0.3421 0.4916 0.4916 0.9273 0.9273 1.4152 1.4152 1.7757 1.7757 5.6900 5.6900 7.3411 7.3411 8.8302 8.8302 9.6382 9.6382 k = 0.0833 0.4264 0.4507 ( 5908 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3630 -20.3630 -20.3625 -20.3625 -20.1882 -20.1882 -20.1876 -20.1876 -20.1808 -20.1808 -20.1805 -20.1805 -3.3630 -3.3630 -2.8388 -2.8388 -0.4351 -0.4351 0.3327 0.3327 0.4936 0.4936 0.8942 0.8942 1.4200 1.4200 1.7754 1.7754 5.6064 5.6064 7.3769 7.3769 8.9063 8.9063 9.7373 9.7373 k = 0.0917 0.4188 0.4620 ( 5904 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3630 -20.3630 -20.3625 -20.3625 -20.1885 -20.1885 -20.1879 -20.1879 -20.1805 -20.1805 -20.1802 -20.1802 -3.3484 -3.3484 -2.8464 -2.8464 -0.4170 -0.4170 0.3215 0.3215 0.4958 0.4958 0.8613 0.8613 1.4247 1.4247 1.7749 1.7749 5.5214 5.5214 7.4152 7.4152 8.9865 8.9865 9.8042 9.8042 k = 0.1000 0.4112 0.4732 ( 5908 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3630 -20.3630 -20.3625 -20.3625 -20.1887 -20.1887 -20.1881 -20.1881 -20.1803 -20.1803 -20.1799 -20.1799 -3.3329 -3.3329 -2.8542 -2.8542 -0.3982 -0.3982 0.3082 0.3082 0.4983 0.4983 0.8292 0.8292 1.4293 1.4293 1.7744 1.7744 5.4359 5.4359 7.4562 7.4562 9.0693 9.0693 9.8326 9.8326 k = 0.1083 0.4036 0.4845 ( 5908 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3630 -20.3630 -20.3626 -20.3626 -20.1890 -20.1890 -20.1884 -20.1884 -20.1800 -20.1800 -20.1797 -20.1797 -3.3166 -3.3166 -2.8622 -2.8622 -0.3791 -0.3791 0.2927 0.2927 0.5010 0.5010 0.7988 0.7988 1.4338 1.4338 1.7737 1.7737 5.3508 5.3508 7.4995 7.4995 9.1532 9.1532 9.8602 9.8602 k = 0.1167 0.3960 0.4958 ( 5900 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3630 -20.3630 -20.3626 -20.3626 -20.1892 -20.1892 -20.1886 -20.1886 -20.1797 -20.1797 -20.1794 -20.1794 -3.2996 -3.2996 -2.8702 -2.8702 -0.3600 -0.3600 0.2750 0.2750 0.5039 0.5039 0.7705 0.7705 1.4383 1.4383 1.7729 1.7729 5.2668 5.2668 7.5451 7.5451 9.2364 9.2364 9.8911 9.8911 k = 0.1250 0.3885 0.5071 ( 5902 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3631 -20.3631 -20.3626 -20.3626 -20.1895 -20.1895 -20.1888 -20.1888 -20.1795 -20.1795 -20.1791 -20.1791 -3.2821 -3.2821 -2.8783 -2.8783 -0.3412 -0.3412 0.2551 0.2551 0.5068 0.5068 0.7450 0.7450 1.4427 1.4427 1.7720 1.7720 5.1845 5.1845 7.5927 7.5927 9.3169 9.3169 9.9260 9.9260 k = 0.1333 0.3809 0.5183 ( 5902 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3631 -20.3631 -20.3627 -20.3627 -20.1897 -20.1897 -20.1890 -20.1890 -20.1793 -20.1793 -20.1789 -20.1789 -3.2643 -3.2643 -2.8862 -2.8862 -0.3230 -0.3230 0.2333 0.2333 0.5096 0.5096 0.7226 0.7226 1.4470 1.4470 1.7711 1.7711 5.1045 5.1045 7.6423 7.6423 9.3929 9.3929 9.9651 9.9651 k = 0.1417 0.3733 0.5296 ( 5902 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3631 -20.3631 -20.3627 -20.3627 -20.1899 -20.1899 -20.1892 -20.1892 -20.1790 -20.1790 -20.1787 -20.1787 -3.2464 -3.2464 -2.8940 -2.8940 -0.3057 -0.3057 0.2101 0.2101 0.5124 0.5124 0.7035 0.7035 1.4513 1.4513 1.7701 1.7701 5.0274 5.0274 7.6933 7.6933 9.4628 9.4628 10.0078 10.0078 k = 0.1500 0.3657 0.5409 ( 5904 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3632 -20.3632 -20.3627 -20.3627 -20.1901 -20.1901 -20.1894 -20.1894 -20.1788 -20.1788 -20.1784 -20.1784 -3.2285 -3.2285 -2.9015 -2.9015 -0.2898 -0.2898 0.1860 0.1860 0.5149 0.5149 0.6876 0.6876 1.4555 1.4555 1.7691 1.7691 4.9538 4.9538 7.7456 7.7456 9.5255 9.5255 10.0527 10.0527 k = 0.1583 0.3581 0.5521 ( 5912 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3632 -20.3632 -20.3628 -20.3628 -20.1903 -20.1903 -20.1896 -20.1896 -20.1787 -20.1787 -20.1783 -20.1783 -3.2110 -3.2110 -2.9087 -2.9087 -0.2756 -0.2756 0.1617 0.1617 0.5171 0.5171 0.6750 0.6750 1.4596 1.4596 1.7680 1.7680 4.8839 4.8839 7.7988 7.7988 9.5809 9.5809 10.0968 10.0968 k = 0.1667 0.3505 0.5634 ( 5906 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3632 -20.3632 -20.3628 -20.3628 -20.1905 -20.1905 -20.1897 -20.1897 -20.1785 -20.1785 -20.1781 -20.1781 -3.1939 -3.1939 -2.9154 -2.9154 -0.2633 -0.2633 0.1382 0.1382 0.5189 0.5189 0.6653 0.6653 1.4636 1.4636 1.7670 1.7670 4.8185 4.8185 7.8523 7.8523 9.6293 9.6293 10.1351 10.1351 k = 0.1750 0.3430 0.5747 ( 5910 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3633 -20.3633 -20.3628 -20.3628 -20.1906 -20.1906 -20.1899 -20.1899 -20.1783 -20.1783 -20.1779 -20.1779 -3.1775 -3.1775 -2.9218 -2.9218 -0.2534 -0.2534 0.1162 0.1162 0.5202 0.5202 0.6582 0.6582 1.4674 1.4674 1.7660 1.7660 4.7577 4.7577 7.9055 7.9055 9.6716 9.6716 10.1528 10.1528 k = 0.1833 0.3354 0.5859 ( 5914 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3633 -20.3633 -20.3629 -20.3629 -20.1908 -20.1908 -20.1900 -20.1900 -20.1782 -20.1782 -20.1778 -20.1778 -3.1621 -3.1621 -2.9276 -2.9276 -0.2460 -0.2460 0.0964 0.0964 0.5210 0.5210 0.6534 0.6534 1.4710 1.4710 1.7651 1.7651 4.7021 4.7021 7.9577 7.9577 9.7085 9.7085 10.1299 10.1299 k = 0.1917 0.3278 0.5972 ( 5918 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3633 -20.3633 -20.3629 -20.3629 -20.1909 -20.1909 -20.1901 -20.1901 -20.1781 -20.1781 -20.1777 -20.1777 -3.1478 -3.1478 -2.9328 -2.9328 -0.2411 -0.2411 0.0793 0.0793 0.5215 0.5215 0.6504 0.6504 1.4744 1.4744 1.7642 1.7642 4.6521 4.6521 8.0081 8.0081 9.7408 9.7408 10.0867 10.0867 k = 0.2000 0.3202 0.6085 ( 5924 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3634 -20.3634 -20.3629 -20.3629 -20.1910 -20.1910 -20.1903 -20.1903 -20.1780 -20.1780 -20.1776 -20.1776 -3.1349 -3.1349 -2.9374 -2.9374 -0.2386 -0.2386 0.0652 0.0652 0.5216 0.5216 0.6488 0.6488 1.4774 1.4774 1.7634 1.7634 4.6079 4.6079 8.0557 8.0557 9.7690 9.7690 10.0387 10.0387 k = 0.2083 0.3126 0.6197 ( 5920 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3634 -20.3634 -20.3629 -20.3629 -20.1911 -20.1911 -20.1903 -20.1903 -20.1779 -20.1779 -20.1774 -20.1774 -3.1236 -3.1236 -2.9414 -2.9414 -0.2381 -0.2381 0.0542 0.0542 0.5215 0.5215 0.6482 0.6482 1.4801 1.4801 1.7627 1.7627 4.5699 4.5699 8.0994 8.0994 9.7932 9.7932 9.9917 9.9917 k = 0.2167 0.3050 0.6310 ( 5912 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3634 -20.3634 -20.3629 -20.3629 -20.1912 -20.1912 -20.1904 -20.1904 -20.1778 -20.1778 -20.1773 -20.1773 -3.1140 -3.1140 -2.9447 -2.9447 -0.2390 -0.2390 0.0460 0.0460 0.5213 0.5213 0.6482 0.6482 1.4824 1.4824 1.7621 1.7621 4.5384 4.5384 8.1378 8.1378 9.8133 9.8133 9.9489 9.9489 k = 0.2250 0.2974 0.6423 ( 5902 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3633 -20.3633 -20.3629 -20.3629 -20.1912 -20.1912 -20.1904 -20.1904 -20.1777 -20.1777 -20.1772 -20.1772 -3.1064 -3.1064 -2.9473 -2.9473 -0.2407 -0.2407 0.0403 0.0403 0.5210 0.5210 0.6485 0.6485 1.4843 1.4843 1.7616 1.7616 4.5137 4.5137 8.1696 8.1696 9.8287 9.8287 9.9135 9.9135 k = 0.2333 0.2899 0.6535 ( 5906 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3634 -20.3634 -20.3629 -20.3629 -20.1913 -20.1913 -20.1905 -20.1905 -20.1777 -20.1777 -20.1772 -20.1772 -3.1009 -3.1009 -2.9491 -2.9491 -0.2424 -0.2424 0.0366 0.0366 0.5208 0.5208 0.6490 0.6490 1.4856 1.4856 1.7613 1.7613 4.4958 4.4958 8.1935 8.1935 9.8384 9.8384 9.8882 9.8882 k = 0.2417 0.2823 0.6648 ( 5900 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3634 -20.3634 -20.3629 -20.3629 -20.1913 -20.1913 -20.1905 -20.1905 -20.1776 -20.1776 -20.1772 -20.1772 -3.0975 -3.0975 -2.9503 -2.9503 -0.2437 -0.2437 0.0345 0.0345 0.5206 0.5206 0.6493 0.6493 1.4865 1.4865 1.7610 1.7610 4.4851 4.4851 8.2083 8.2083 9.8412 9.8412 9.8755 9.8755 k = 0.2500 0.2747 0.6761 ( 5896 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3633 -20.3633 -20.3629 -20.3629 -20.1913 -20.1913 -20.1905 -20.1905 -20.1776 -20.1776 -20.1772 -20.1772 -3.0964 -3.0964 -2.9506 -2.9506 -0.2442 -0.2442 0.0338 0.0338 0.5206 0.5206 0.6494 0.6494 1.4867 1.4867 1.7610 1.7610 4.4815 4.4815 8.2134 8.2134 9.8407 9.8407 9.8726 9.8726 k = 0.2500 0.2747 0.6761 ( 5896 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3633 -20.3633 -20.3629 -20.3629 -20.1913 -20.1913 -20.1905 -20.1905 -20.1776 -20.1776 -20.1772 -20.1772 -3.0964 -3.0964 -2.9506 -2.9506 -0.2442 -0.2442 0.0338 0.0338 0.5206 0.5206 0.6494 0.6494 1.4867 1.4867 1.7610 1.7610 4.4815 4.4815 8.2134 8.2134 9.8407 9.8407 9.8726 9.8726 k = 0.2571 0.2825 0.6644 ( 5902 PWs) bands (ev): -48.3147 -48.3147 -48.3146 -48.3146 -20.3635 -20.3635 -20.3628 -20.3628 -20.1913 -20.1913 -20.1904 -20.1904 -20.1778 -20.1778 -20.1770 -20.1770 -3.0972 -3.0972 -2.9502 -2.9502 -0.2449 -0.2449 0.0354 0.0354 0.5206 0.5206 0.6493 0.6493 1.4865 1.4865 1.7609 1.7609 4.4845 4.4845 8.2043 8.2043 9.8247 9.8247 9.8894 9.8894 k = 0.2643 0.2904 0.6527 ( 5906 PWs) bands (ev): -48.3148 -48.3148 -48.3146 -48.3146 -20.3637 -20.3637 -20.3626 -20.3626 -20.1915 -20.1915 -20.1904 -20.1904 -20.1781 -20.1781 -20.1766 -20.1766 -3.0996 -3.0996 -2.9489 -2.9489 -0.2473 -0.2473 0.0400 0.0400 0.5207 0.5207 0.6490 0.6490 1.4856 1.4856 1.7607 1.7607 4.4935 4.4935 8.1766 8.1766 9.8048 9.8048 9.9136 9.9136 k = 0.2714 0.2982 0.6411 ( 5906 PWs) bands (ev): -48.3148 -48.3148 -48.3145 -48.3145 -20.3639 -20.3639 -20.3624 -20.3624 -20.1917 -20.1917 -20.1903 -20.1903 -20.1784 -20.1784 -20.1762 -20.1762 -3.1032 -3.1032 -2.9468 -2.9468 -0.2510 -0.2510 0.0475 0.0475 0.5210 0.5210 0.6484 0.6484 1.4841 1.4841 1.7605 1.7605 4.5085 4.5085 8.1304 8.1304 9.7911 9.7911 9.9356 9.9356 k = 0.2786 0.3061 0.6294 ( 5910 PWs) bands (ev): -48.3149 -48.3149 -48.3145 -48.3145 -20.3641 -20.3641 -20.3622 -20.3622 -20.1919 -20.1919 -20.1902 -20.1902 -20.1786 -20.1786 -20.1758 -20.1758 -3.1079 -3.1079 -2.9441 -2.9441 -0.2558 -0.2558 0.0574 0.0574 0.5213 0.5213 0.6473 0.6473 1.4820 1.4820 1.7604 1.7604 4.5291 4.5291 8.0673 8.0673 9.7849 9.7849 9.9540 9.9540 k = 0.2857 0.3139 0.6178 ( 5913 PWs) bands (ev): -48.3149 -48.3149 -48.3144 -48.3144 -20.3644 -20.3644 -20.3621 -20.3621 -20.1922 -20.1922 -20.1901 -20.1901 -20.1789 -20.1789 -20.1754 -20.1754 -3.1135 -3.1135 -2.9409 -2.9409 -0.2616 -0.2616 0.0695 0.0695 0.5216 0.5216 0.6458 0.6458 1.4794 1.4794 1.7604 1.7604 4.5552 4.5552 7.9894 7.9894 9.7856 9.7856 9.9678 9.9678 k = 0.2929 0.3218 0.6061 ( 5921 PWs) bands (ev): -48.3150 -48.3150 -48.3144 -48.3144 -20.3646 -20.3646 -20.3619 -20.3619 -20.1924 -20.1924 -20.1901 -20.1901 -20.1790 -20.1790 -20.1750 -20.1750 -3.1197 -3.1197 -2.9372 -2.9372 -0.2679 -0.2679 0.0833 0.0833 0.5220 0.5220 0.6438 0.6438 1.4763 1.4763 1.7606 1.7606 4.5866 4.5866 7.8995 7.8995 9.7920 9.7920 9.9761 9.9761 k = 0.3000 0.3296 0.5944 ( 5918 PWs) bands (ev): -48.3150 -48.3150 -48.3143 -48.3143 -20.3648 -20.3648 -20.3617 -20.3617 -20.1927 -20.1927 -20.1901 -20.1901 -20.1792 -20.1792 -20.1746 -20.1746 -3.1263 -3.1263 -2.9331 -2.9331 -0.2745 -0.2745 0.0985 0.0985 0.5224 0.5224 0.6413 0.6413 1.4727 1.4727 1.7612 1.7612 4.6227 4.6227 7.8003 7.8003 9.8029 9.8029 9.9784 9.9784 k = 0.3071 0.3375 0.5828 ( 5923 PWs) bands (ev): -48.3151 -48.3151 -48.3143 -48.3143 -20.3650 -20.3650 -20.3616 -20.3616 -20.1930 -20.1930 -20.1901 -20.1901 -20.1793 -20.1793 -20.1742 -20.1742 -3.1332 -3.1332 -2.9287 -2.9287 -0.2811 -0.2811 0.1147 0.1147 0.5227 0.5227 0.6382 0.6382 1.4689 1.4689 1.7623 1.7623 4.6631 4.6631 7.6944 7.6944 9.8172 9.8172 9.9742 9.9742 k = 0.3143 0.3453 0.5711 ( 5917 PWs) bands (ev): -48.3151 -48.3151 -48.3143 -48.3143 -20.3652 -20.3652 -20.3614 -20.3614 -20.1933 -20.1933 -20.1901 -20.1901 -20.1794 -20.1794 -20.1737 -20.1737 -3.1403 -3.1403 -2.9241 -2.9241 -0.2875 -0.2875 0.1315 0.1315 0.5229 0.5229 0.6346 0.6346 1.4648 1.4648 1.7638 1.7638 4.7074 4.7074 7.5841 7.5841 9.8340 9.8340 9.9633 9.9633 k = 0.3214 0.3532 0.5595 ( 5917 PWs) bands (ev): -48.3152 -48.3152 -48.3142 -48.3142 -20.3654 -20.3654 -20.3613 -20.3613 -20.1936 -20.1936 -20.1902 -20.1902 -20.1795 -20.1795 -20.1732 -20.1732 -3.1475 -3.1475 -2.9191 -2.9191 -0.2935 -0.2935 0.1488 0.1488 0.5230 0.5230 0.6305 0.6305 1.4606 1.4606 1.7660 1.7660 4.7549 4.7549 7.4713 7.4713 9.8523 9.8523 9.9458 9.9458 k = 0.3286 0.3610 0.5478 ( 5911 PWs) bands (ev): -48.3152 -48.3152 -48.3142 -48.3142 -20.3656 -20.3656 -20.3611 -20.3611 -20.1939 -20.1939 -20.1902 -20.1902 -20.1795 -20.1795 -20.1727 -20.1727 -3.1546 -3.1546 -2.9140 -2.9140 -0.2991 -0.2991 0.1662 0.1662 0.5229 0.5229 0.6260 0.6260 1.4564 1.4564 1.7687 1.7687 4.8047 4.8047 7.3580 7.3580 9.8704 9.8704 9.9226 9.9226 k = 0.3357 0.3689 0.5361 ( 5912 PWs) bands (ev): -48.3152 -48.3152 -48.3142 -48.3142 -20.3657 -20.3657 -20.3611 -20.3611 -20.1942 -20.1942 -20.1903 -20.1903 -20.1795 -20.1795 -20.1722 -20.1722 -3.1617 -3.1617 -2.9086 -2.9086 -0.3040 -0.3040 0.1836 0.1836 0.5225 0.5225 0.6212 0.6212 1.4524 1.4524 1.7720 1.7720 4.8561 4.8561 7.2457 7.2457 9.8777 9.8777 9.9030 9.9030 k = 0.3429 0.3767 0.5245 ( 5919 PWs) bands (ev): -48.3153 -48.3153 -48.3141 -48.3141 -20.3659 -20.3659 -20.3610 -20.3610 -20.1945 -20.1945 -20.1905 -20.1905 -20.1795 -20.1795 -20.1718 -20.1718 -3.1685 -3.1685 -2.9029 -2.9029 -0.3082 -0.3082 0.2008 0.2008 0.5217 0.5217 0.6162 0.6162 1.4487 1.4487 1.7760 1.7760 4.9079 4.9079 7.1363 7.1363 9.8481 9.8481 9.9106 9.9106 k = 0.3500 0.3846 0.5128 ( 5918 PWs) bands (ev): -48.3153 -48.3153 -48.3141 -48.3141 -20.3661 -20.3661 -20.3609 -20.3609 -20.1948 -20.1948 -20.1907 -20.1907 -20.1795 -20.1795 -20.1713 -20.1713 -3.1753 -3.1753 -2.8971 -2.8971 -0.3116 -0.3116 0.2175 0.2175 0.5205 0.5205 0.6112 0.6112 1.4453 1.4453 1.7807 1.7807 4.9588 4.9588 7.0314 7.0314 9.8060 9.8060 9.9160 9.9160 k = 0.3571 0.3924 0.5012 ( 5914 PWs) bands (ev): -48.3153 -48.3153 -48.3141 -48.3141 -20.3663 -20.3663 -20.3608 -20.3608 -20.1951 -20.1951 -20.1908 -20.1908 -20.1794 -20.1794 -20.1709 -20.1709 -3.1818 -3.1818 -2.8910 -2.8910 -0.3142 -0.3142 0.2337 0.2337 0.5188 0.5188 0.6064 0.6064 1.4424 1.4424 1.7860 1.7860 5.0073 5.0073 6.9328 6.9328 9.7575 9.7575 9.9023 9.9023 k = 0.3643 0.4003 0.4895 ( 5912 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3664 -20.3664 -20.3608 -20.3608 -20.1954 -20.1954 -20.1910 -20.1910 -20.1794 -20.1794 -20.1704 -20.1704 -3.1880 -3.1880 -2.8846 -2.8846 -0.3159 -0.3159 0.2492 0.2492 0.5165 0.5165 0.6020 0.6020 1.4399 1.4399 1.7920 1.7920 5.0515 5.0515 6.8427 6.8427 9.7028 9.7028 9.8565 9.8565 k = 0.3714 0.4081 0.4778 ( 5909 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3665 -20.3665 -20.3607 -20.3607 -20.1956 -20.1956 -20.1912 -20.1912 -20.1793 -20.1793 -20.1700 -20.1700 -3.1941 -3.1941 -2.8781 -2.8781 -0.3166 -0.3166 0.2637 0.2637 0.5136 0.5136 0.5982 0.5982 1.4381 1.4381 1.7986 1.7986 5.0892 5.0892 6.7633 6.7633 9.6409 9.6409 9.7785 9.7785 k = 0.3786 0.4160 0.4662 ( 5897 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3667 -20.3667 -20.3607 -20.3607 -20.1958 -20.1958 -20.1914 -20.1914 -20.1791 -20.1791 -20.1695 -20.1695 -3.1999 -3.1999 -2.8713 -2.8713 -0.3165 -0.3165 0.2771 0.2771 0.5103 0.5103 0.5950 0.5950 1.4368 1.4368 1.8058 1.8058 5.1181 5.1181 6.6971 6.6971 9.5673 9.5673 9.6851 9.6851 k = 0.3857 0.4238 0.4545 ( 5895 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3668 -20.3668 -20.3607 -20.3607 -20.1961 -20.1961 -20.1916 -20.1916 -20.1790 -20.1790 -20.1691 -20.1691 -3.2055 -3.2055 -2.8643 -2.8643 -0.3153 -0.3153 0.2894 0.2894 0.5065 0.5065 0.5925 0.5925 1.4360 1.4360 1.8135 1.8135 5.1358 5.1358 6.6464 6.6464 9.4748 9.4748 9.5956 9.5956 k = 0.3929 0.4317 0.4429 ( 5893 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3669 -20.3669 -20.3607 -20.3607 -20.1963 -20.1963 -20.1918 -20.1918 -20.1788 -20.1788 -20.1687 -20.1687 -3.2110 -3.2110 -2.8570 -2.8570 -0.3132 -0.3132 0.3003 0.3003 0.5026 0.5026 0.5908 0.5908 1.4359 1.4359 1.8219 1.8219 5.1403 5.1403 6.6132 6.6132 9.3628 9.3628 9.5179 9.5179 k = 0.4000 0.4395 0.4312 ( 5895 PWs) bands (ev): -48.3155 -48.3155 -48.3139 -48.3139 -20.3670 -20.3670 -20.3607 -20.3607 -20.1966 -20.1966 -20.1920 -20.1920 -20.1787 -20.1787 -20.1683 -20.1683 -3.2163 -3.2163 -2.8495 -2.8495 -0.3101 -0.3101 0.3097 0.3097 0.4987 0.4987 0.5898 0.5898 1.4363 1.4363 1.8306 1.8306 5.1307 5.1307 6.5982 6.5982 9.2401 9.2401 9.4472 9.4472 k = 0.4071 0.4474 0.4195 ( 5901 PWs) bands (ev): -48.3155 -48.3155 -48.3139 -48.3139 -20.3671 -20.3671 -20.3607 -20.3607 -20.1968 -20.1968 -20.1923 -20.1923 -20.1785 -20.1785 -20.1680 -20.1680 -3.2214 -3.2214 -2.8418 -2.8418 -0.3061 -0.3061 0.3176 0.3176 0.4951 0.4951 0.5894 0.5894 1.4372 1.4372 1.8398 1.8398 5.1070 5.1070 6.6014 6.6014 9.1133 9.1133 9.3795 9.3795 k = 0.4143 0.4552 0.4079 ( 5899 PWs) bands (ev): -48.3155 -48.3155 -48.3139 -48.3139 -20.3672 -20.3672 -20.3608 -20.3608 -20.1970 -20.1970 -20.1926 -20.1926 -20.1783 -20.1783 -20.1677 -20.1677 -3.2265 -3.2265 -2.8338 -2.8338 -0.3011 -0.3011 0.3238 0.3238 0.4921 0.4921 0.5896 0.5896 1.4385 1.4385 1.8494 1.8494 5.0706 5.0706 6.6212 6.6212 8.9860 8.9860 9.3133 9.3133 k = 0.4214 0.4631 0.3962 ( 5902 PWs) bands (ev): -48.3155 -48.3155 -48.3139 -48.3139 -20.3673 -20.3673 -20.3608 -20.3608 -20.1972 -20.1972 -20.1928 -20.1928 -20.1782 -20.1782 -20.1674 -20.1674 -3.2315 -3.2315 -2.8257 -2.8257 -0.2951 -0.2951 0.3286 0.3286 0.4897 0.4897 0.5903 0.5903 1.4403 1.4403 1.8592 1.8592 5.0237 5.0237 6.6552 6.6552 8.8601 8.8601 9.2478 9.2478 k = 0.4286 0.4709 0.3846 ( 5904 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3674 -20.3674 -20.3609 -20.3609 -20.1974 -20.1974 -20.1931 -20.1931 -20.1780 -20.1780 -20.1672 -20.1672 -3.2366 -3.2366 -2.8174 -2.8174 -0.2882 -0.2882 0.3320 0.3320 0.4880 0.4880 0.5913 0.5913 1.4424 1.4424 1.8691 1.8691 4.9686 4.9686 6.7007 6.7007 8.7369 8.7369 9.1833 9.1833 k = 0.4357 0.4788 0.3729 ( 5896 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3674 -20.3674 -20.3610 -20.3610 -20.1975 -20.1975 -20.1934 -20.1934 -20.1778 -20.1778 -20.1669 -20.1669 -3.2417 -3.2417 -2.8089 -2.8089 -0.2804 -0.2804 0.3342 0.3342 0.4868 0.4868 0.5927 0.5927 1.4448 1.4448 1.8791 1.8791 4.9080 4.9080 6.7547 6.7547 8.6174 8.6174 9.1197 9.1197 k = 0.4429 0.4866 0.3612 ( 5896 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3674 -20.3674 -20.3611 -20.3611 -20.1976 -20.1976 -20.1937 -20.1937 -20.1776 -20.1776 -20.1667 -20.1667 -3.2470 -3.2470 -2.8002 -2.8002 -0.2717 -0.2717 0.3355 0.3355 0.4862 0.4862 0.5944 0.5944 1.4474 1.4474 1.8890 1.8890 4.8439 4.8439 6.8144 6.8144 8.5027 8.5027 9.0572 9.0572 k = 0.4500 0.4945 0.3496 ( 5896 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3675 -20.3675 -20.3612 -20.3612 -20.1977 -20.1977 -20.1939 -20.1939 -20.1774 -20.1774 -20.1665 -20.1665 -3.2524 -3.2524 -2.7915 -2.7915 -0.2621 -0.2621 0.3363 0.3363 0.4859 0.4859 0.5964 0.5964 1.4503 1.4503 1.8986 1.8986 4.7782 4.7782 6.8774 6.8774 8.3939 8.3939 8.9961 8.9961 k = 0.4571 0.5023 0.3379 ( 5897 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3675 -20.3675 -20.3613 -20.3613 -20.1978 -20.1978 -20.1942 -20.1942 -20.1772 -20.1772 -20.1664 -20.1664 -3.2580 -3.2580 -2.7826 -2.7826 -0.2517 -0.2517 0.3367 0.3367 0.4858 0.4858 0.5985 0.5985 1.4532 1.4532 1.9078 1.9078 4.7123 4.7123 6.9408 6.9408 8.2926 8.2926 8.9366 8.9366 k = 0.4643 0.5102 0.3263 ( 5899 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3675 -20.3675 -20.3614 -20.3614 -20.1979 -20.1979 -20.1944 -20.1944 -20.1770 -20.1770 -20.1662 -20.1662 -3.2639 -3.2639 -2.7737 -2.7737 -0.2405 -0.2405 0.3371 0.3371 0.4858 0.4858 0.6007 0.6007 1.4564 1.4564 1.9165 1.9165 4.6475 4.6475 7.0018 7.0018 8.2005 8.2005 8.8789 8.8789 k = 0.4714 0.5180 0.3146 ( 5896 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3675 -20.3675 -20.3615 -20.3615 -20.1979 -20.1979 -20.1947 -20.1947 -20.1768 -20.1768 -20.1661 -20.1661 -3.2701 -3.2701 -2.7647 -2.7647 -0.2284 -0.2284 0.3376 0.3376 0.4858 0.4858 0.6030 0.6030 1.4596 1.4596 1.9245 1.9245 4.5849 4.5849 7.0570 7.0570 8.1203 8.1203 8.8233 8.8233 k = 0.4786 0.5258 0.3029 ( 5893 PWs) bands (ev): -48.3155 -48.3155 -48.3138 -48.3138 -20.3675 -20.3675 -20.3616 -20.3616 -20.1979 -20.1979 -20.1949 -20.1949 -20.1766 -20.1766 -20.1660 -20.1660 -3.2768 -3.2768 -2.7558 -2.7558 -0.2156 -0.2156 0.3385 0.3385 0.4857 0.4857 0.6053 0.6053 1.4628 1.4628 1.9317 1.9317 4.5251 4.5251 7.1024 7.1024 8.0552 8.0552 8.7700 8.7700 k = 0.4857 0.5337 0.2913 ( 5889 PWs) bands (ev): -48.3155 -48.3155 -48.3139 -48.3139 -20.3675 -20.3675 -20.3617 -20.3617 -20.1979 -20.1979 -20.1951 -20.1951 -20.1764 -20.1764 -20.1659 -20.1659 -3.2838 -3.2838 -2.7469 -2.7469 -0.2021 -0.2021 0.3398 0.3398 0.4856 0.4856 0.6075 0.6075 1.4661 1.4661 1.9377 1.9377 4.4687 4.4687 7.1339 7.1339 8.0088 8.0088 8.7194 8.7194 k = 0.4929 0.5415 0.2796 ( 5876 PWs) bands (ev): -48.3155 -48.3155 -48.3139 -48.3139 -20.3674 -20.3674 -20.3618 -20.3618 -20.1978 -20.1978 -20.1953 -20.1953 -20.1762 -20.1762 -20.1659 -20.1659 -3.2913 -3.2913 -2.7381 -2.7381 -0.1878 -0.1878 0.3415 0.3415 0.4855 0.4855 0.6097 0.6097 1.4694 1.4694 1.9427 1.9427 4.4164 4.4164 7.1479 7.1479 7.9841 7.9841 8.6717 8.6717 k = 0.5000 0.5494 0.2679 ( 5868 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3673 -20.3673 -20.3619 -20.3619 -20.1978 -20.1978 -20.1955 -20.1955 -20.1760 -20.1760 -20.1659 -20.1659 -3.2992 -3.2992 -2.7294 -2.7294 -0.1729 -0.1729 0.3437 0.3437 0.4855 0.4855 0.6116 0.6116 1.4727 1.4727 1.9463 1.9463 4.3685 4.3685 7.1429 7.1429 7.9819 7.9819 8.6276 8.6276 k = 0.5000 0.5494 0.2679 ( 5868 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3673 -20.3673 -20.3619 -20.3619 -20.1978 -20.1978 -20.1955 -20.1955 -20.1760 -20.1760 -20.1659 -20.1659 -3.2992 -3.2992 -2.7294 -2.7294 -0.1729 -0.1729 0.3437 0.3437 0.4855 0.4855 0.6116 0.6116 1.4727 1.4727 1.9463 1.9463 4.3685 4.3685 7.1429 7.1429 7.9819 7.9819 8.6276 8.6276 k = 0.5000 0.5494 0.2522 ( 5880 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3672 -20.3672 -20.3621 -20.3621 -20.1977 -20.1977 -20.1959 -20.1959 -20.1758 -20.1758 -20.1660 -20.1660 -3.3103 -3.3103 -2.7179 -2.7179 -0.1521 -0.1521 0.3469 0.3469 0.4858 0.4858 0.6142 0.6142 1.4771 1.4771 1.9499 1.9499 4.3081 4.3081 7.1086 7.1086 8.0096 8.0096 8.5742 8.5742 k = 0.5000 0.5494 0.2364 ( 5884 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3671 -20.3671 -20.3623 -20.3623 -20.1976 -20.1976 -20.1962 -20.1962 -20.1755 -20.1755 -20.1661 -20.1661 -3.3212 -3.3212 -2.7067 -2.7067 -0.1309 -0.1309 0.3497 0.3497 0.4869 0.4869 0.6167 0.6167 1.4816 1.4816 1.9528 1.9528 4.2502 4.2502 7.0502 7.0502 8.0608 8.0608 8.5304 8.5304 k = 0.5000 0.5494 0.2207 ( 5886 PWs) bands (ev): -48.3154 -48.3154 -48.3139 -48.3139 -20.3670 -20.3670 -20.3625 -20.3625 -20.1976 -20.1976 -20.1964 -20.1964 -20.1753 -20.1753 -20.1661 -20.1661 -3.3318 -3.3318 -2.6958 -2.6958 -0.1094 -0.1094 0.3518 0.3518 0.4889 0.4889 0.6190 0.6190 1.4860 1.4860 1.9549 1.9549 4.1952 4.1952 6.9782 6.9782 8.1183 8.1183 8.5026 8.5026 k = 0.5000 0.5494 0.2049 ( 5878 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3669 -20.3669 -20.3627 -20.3627 -20.1976 -20.1976 -20.1967 -20.1967 -20.1751 -20.1751 -20.1661 -20.1661 -3.3420 -3.3420 -2.6854 -2.6854 -0.0876 -0.0876 0.3528 0.3528 0.4920 0.4920 0.6211 0.6211 1.4904 1.4904 1.9564 1.9564 4.1431 4.1431 6.9000 6.9000 8.1627 8.1627 8.5026 8.5026 k = 0.5000 0.5494 0.1891 ( 5876 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3668 -20.3668 -20.3628 -20.3628 -20.1975 -20.1975 -20.1969 -20.1969 -20.1749 -20.1749 -20.1661 -20.1661 -3.3518 -3.3518 -2.6754 -2.6754 -0.0657 -0.0657 0.3523 0.3523 0.4964 0.4964 0.6230 0.6230 1.4947 1.4947 1.9573 1.9573 4.0941 4.0941 6.8206 6.8206 8.1789 8.1789 8.5401 8.5401 k = 0.5000 0.5494 0.1734 ( 5876 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3668 -20.3668 -20.3629 -20.3629 -20.1975 -20.1975 -20.1971 -20.1971 -20.1747 -20.1747 -20.1661 -20.1661 -3.3610 -3.3610 -2.6661 -2.6661 -0.0436 -0.0436 0.3502 0.3502 0.5020 0.5020 0.6246 0.6246 1.4989 1.4989 1.9577 1.9577 4.0483 4.0483 6.7429 6.7429 8.1698 8.1698 8.6087 8.6087 k = 0.5000 0.5494 0.1576 ( 5868 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3667 -20.3667 -20.3631 -20.3631 -20.1976 -20.1976 -20.1972 -20.1972 -20.1744 -20.1744 -20.1661 -20.1661 -3.3697 -3.3697 -2.6573 -2.6573 -0.0216 -0.0216 0.3464 0.3464 0.5089 0.5089 0.6258 0.6258 1.5029 1.5029 1.9576 1.9576 4.0060 4.0060 6.6688 6.6688 8.1473 8.1473 8.6938 8.6938 k = 0.5000 0.5494 0.1419 ( 5868 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3666 -20.3666 -20.3632 -20.3632 -20.1977 -20.1977 -20.1972 -20.1972 -20.1742 -20.1742 -20.1662 -20.1662 -3.3777 -3.3777 -2.6493 -2.6493 0.0004 0.0004 0.3409 0.3409 0.5167 0.5167 0.6266 0.6266 1.5067 1.5067 1.9572 1.9572 3.9671 3.9671 6.5996 6.5996 8.1199 8.1199 8.7848 8.7848 k = 0.5000 0.5494 0.1261 ( 5872 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3666 -20.3666 -20.3634 -20.3634 -20.1979 -20.1979 -20.1972 -20.1972 -20.1741 -20.1741 -20.1662 -20.1662 -3.3851 -3.3851 -2.6420 -2.6420 0.0222 0.0222 0.3338 0.3338 0.5253 0.5253 0.6270 0.6270 1.5102 1.5102 1.9564 1.9564 3.9319 3.9319 6.5361 6.5361 8.0919 8.0919 8.8758 8.8758 k = 0.5000 0.5494 0.1103 ( 5874 PWs) bands (ev): -48.3153 -48.3153 -48.3141 -48.3141 -20.3665 -20.3665 -20.3635 -20.3635 -20.1980 -20.1980 -20.1972 -20.1972 -20.1739 -20.1739 -20.1663 -20.1663 -3.3917 -3.3917 -2.6355 -2.6355 0.0435 0.0435 0.3253 0.3253 0.5343 0.5343 0.6268 0.6268 1.5134 1.5134 1.9555 1.9555 3.9006 3.9006 6.4790 6.4790 8.0653 8.0653 8.9631 8.9631 k = 0.5000 0.5494 0.0946 ( 5866 PWs) bands (ev): -48.3153 -48.3153 -48.3140 -48.3140 -20.3664 -20.3664 -20.3636 -20.3636 -20.1982 -20.1982 -20.1971 -20.1971 -20.1737 -20.1737 -20.1663 -20.1663 -3.3975 -3.3975 -2.6297 -2.6297 0.0642 0.0642 0.3157 0.3157 0.5434 0.5434 0.6261 0.6261 1.5163 1.5163 1.9545 1.9545 3.8731 3.8731 6.4288 6.4288 8.0412 8.0412 9.0440 9.0440 k = 0.5000 0.5494 0.0788 ( 5862 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3664 -20.3664 -20.3637 -20.3637 -20.1983 -20.1983 -20.1971 -20.1971 -20.1736 -20.1736 -20.1663 -20.1663 -3.4024 -3.4024 -2.6249 -2.6249 0.0841 0.0841 0.3053 0.3053 0.5522 0.5522 0.6249 0.6249 1.5188 1.5188 1.9535 1.9535 3.8497 3.8497 6.3857 6.3857 8.0202 8.0202 9.1164 9.1164 k = 0.5000 0.5494 0.0630 ( 5862 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3663 -20.3663 -20.3638 -20.3638 -20.1984 -20.1984 -20.1971 -20.1971 -20.1734 -20.1734 -20.1663 -20.1663 -3.4065 -3.4065 -2.6208 -2.6208 0.1026 0.1026 0.2944 0.2944 0.5606 0.5606 0.6232 0.6232 1.5210 1.5210 1.9525 1.9525 3.8304 3.8304 6.3502 6.3502 8.0026 8.0026 9.1784 9.1784 k = 0.5000 0.5494 0.0473 ( 5868 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3663 -20.3663 -20.3639 -20.3639 -20.1985 -20.1985 -20.1971 -20.1971 -20.1734 -20.1734 -20.1664 -20.1664 -3.4098 -3.4098 -2.6177 -2.6177 0.1192 0.1192 0.2838 0.2838 0.5681 0.5681 0.6211 0.6211 1.5226 1.5226 1.9517 1.9517 3.8153 3.8153 6.3223 6.3223 7.9888 7.9888 9.2285 9.2285 k = 0.5000 0.5494 0.0315 ( 5860 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3663 -20.3663 -20.3639 -20.3639 -20.1985 -20.1985 -20.1971 -20.1971 -20.1733 -20.1733 -20.1663 -20.1663 -3.4121 -3.4121 -2.6154 -2.6154 0.1329 0.1329 0.2744 0.2744 0.5742 0.5742 0.6190 0.6190 1.5238 1.5238 1.9510 1.9510 3.8044 3.8044 6.3023 6.3023 7.9788 7.9788 9.2652 9.2652 k = 0.5000 0.5494 0.0158 ( 5856 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3662 -20.3662 -20.3639 -20.3639 -20.1985 -20.1985 -20.1971 -20.1971 -20.1733 -20.1733 -20.1663 -20.1663 -3.4135 -3.4135 -2.6140 -2.6140 0.1422 0.1422 0.2677 0.2677 0.5784 0.5784 0.6173 0.6173 1.5246 1.5246 1.9506 1.9506 3.7979 3.7979 6.2903 6.2903 7.9728 7.9728 9.2877 9.2877 k = 0.5000 0.5494-0.0000 ( 5856 PWs) bands (ev): -48.3152 -48.3152 -48.3141 -48.3141 -20.3662 -20.3662 -20.3639 -20.3639 -20.1985 -20.1985 -20.1971 -20.1971 -20.1732 -20.1732 -20.1663 -20.1663 -3.4140 -3.4140 -2.6136 -2.6136 0.1456 0.1456 0.2651 0.2651 0.5799 0.5799 0.6166 0.6166 1.5248 1.5248 1.9505 1.9505 3.7957 3.7957 6.2863 6.2863 7.9708 7.9708 9.2953 9.2953 k = 0.0000 0.0000 0.6761 ( 5926 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3698 -20.3698 -20.3586 -20.3586 -20.2007 -20.2007 -20.1905 -20.1905 -20.1795 -20.1795 -20.1639 -20.1639 -3.1765 -3.1765 -2.8686 -2.8686 -0.4815 -0.4815 0.3568 0.3568 0.5618 0.5618 0.6450 0.6450 1.3964 1.3964 1.7070 1.7070 5.5740 5.5740 5.9257 5.9257 8.9578 8.9578 10.1142 10.1142 k = 0.0104 0.0114 0.6761 ( 5922 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3697 -20.3697 -20.3586 -20.3586 -20.2006 -20.2006 -20.1906 -20.1906 -20.1795 -20.1795 -20.1640 -20.1640 -3.1762 -3.1762 -2.8689 -2.8689 -0.4808 -0.4808 0.3560 0.3560 0.5613 0.5613 0.6451 0.6451 1.3969 1.3969 1.7072 1.7072 5.5501 5.5501 5.9527 5.9527 8.9599 8.9599 10.1144 10.1144 k = 0.0208 0.0229 0.6761 ( 5926 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3697 -20.3697 -20.3587 -20.3587 -20.2005 -20.2005 -20.1905 -20.1905 -20.1795 -20.1795 -20.1641 -20.1641 -3.1755 -3.1755 -2.8697 -2.8697 -0.4789 -0.4789 0.3534 0.3534 0.5598 0.5598 0.6453 0.6453 1.3984 1.3984 1.7078 1.7078 5.4929 5.4929 6.0192 6.0192 8.9663 8.9663 10.1149 10.1149 k = 0.0312 0.0343 0.6761 ( 5922 PWs) bands (ev): -48.3159 -48.3159 -48.3135 -48.3135 -20.3696 -20.3696 -20.3587 -20.3587 -20.2004 -20.2004 -20.1905 -20.1905 -20.1795 -20.1795 -20.1643 -20.1643 -3.1742 -3.1742 -2.8709 -2.8709 -0.4758 -0.4758 0.3492 0.3492 0.5576 0.5576 0.6456 0.6456 1.4008 1.4008 1.7088 1.7088 5.4217 5.4217 6.1059 6.1059 8.9769 8.9769 10.1157 10.1157 k = 0.0417 0.0458 0.6761 ( 5924 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3695 -20.3695 -20.3588 -20.3588 -20.2003 -20.2003 -20.1905 -20.1905 -20.1795 -20.1795 -20.1645 -20.1645 -3.1725 -3.1725 -2.8727 -2.8727 -0.4713 -0.4713 0.3432 0.3432 0.5546 0.5546 0.6460 0.6460 1.4041 1.4041 1.7102 1.7102 5.3461 5.3461 6.2031 6.2031 8.9917 8.9917 10.1167 10.1167 k = 0.0521 0.0572 0.6761 ( 5916 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3694 -20.3694 -20.3588 -20.3588 -20.2000 -20.2000 -20.1904 -20.1904 -20.1796 -20.1796 -20.1648 -20.1648 -3.1703 -3.1703 -2.8750 -2.8750 -0.4657 -0.4657 0.3354 0.3354 0.5512 0.5512 0.6465 0.6465 1.4082 1.4082 1.7120 1.7120 5.2700 5.2700 6.3068 6.3068 9.0105 9.0105 10.1179 10.1179 k = 0.0625 0.0687 0.6761 ( 5916 PWs) bands (ev): -48.3158 -48.3158 -48.3136 -48.3136 -20.3692 -20.3692 -20.3589 -20.3589 -20.1998 -20.1998 -20.1904 -20.1904 -20.1796 -20.1796 -20.1651 -20.1651 -3.1676 -3.1676 -2.8778 -2.8778 -0.4588 -0.4588 0.3257 0.3257 0.5476 0.5476 0.6469 0.6469 1.4129 1.4129 1.7141 1.7141 5.1954 5.1954 6.4151 6.4151 9.0334 9.0334 10.1191 10.1191 k = 0.0729 0.0801 0.6761 ( 5916 PWs) bands (ev): -48.3157 -48.3157 -48.3136 -48.3136 -20.3690 -20.3690 -20.3590 -20.3590 -20.1994 -20.1994 -20.1903 -20.1903 -20.1796 -20.1796 -20.1656 -20.1656 -3.1645 -3.1645 -2.8810 -2.8810 -0.4508 -0.4508 0.3142 0.3142 0.5440 0.5440 0.6473 0.6473 1.4181 1.4181 1.7166 1.7166 5.1230 5.1230 6.5271 6.5271 9.0602 9.0602 10.1203 10.1203 k = 0.0833 0.0916 0.6761 ( 5908 PWs) bands (ev): -48.3157 -48.3157 -48.3137 -48.3137 -20.3687 -20.3687 -20.3591 -20.3591 -20.1990 -20.1990 -20.1903 -20.1903 -20.1796 -20.1796 -20.1661 -20.1661 -3.1610 -3.1610 -2.8846 -2.8846 -0.4416 -0.4416 0.3009 0.3009 0.5404 0.5404 0.6477 0.6477 1.4237 1.4237 1.7193 1.7193 5.0536 5.0536 6.6419 6.6419 9.0908 9.0908 10.1211 10.1211 k = 0.0938 0.1030 0.6761 ( 5900 PWs) bands (ev): -48.3157 -48.3157 -48.3137 -48.3137 -20.3685 -20.3685 -20.3592 -20.3592 -20.1986 -20.1986 -20.1902 -20.1902 -20.1796 -20.1796 -20.1666 -20.1666 -3.1571 -3.1571 -2.8886 -2.8886 -0.4313 -0.4313 0.2859 0.2859 0.5372 0.5372 0.6481 0.6481 1.4295 1.4295 1.7223 1.7223 4.9873 4.9873 6.7592 6.7592 9.1250 9.1250 10.1215 10.1215 k = 0.1042 0.1145 0.6761 ( 5914 PWs) bands (ev): -48.3156 -48.3156 -48.3137 -48.3137 -20.3682 -20.3682 -20.3594 -20.3594 -20.1981 -20.1981 -20.1902 -20.1902 -20.1796 -20.1796 -20.1673 -20.1673 -3.1528 -3.1528 -2.8930 -2.8930 -0.4200 -0.4200 0.2693 0.2693 0.5342 0.5342 0.6483 0.6483 1.4355 1.4355 1.7256 1.7256 4.9246 4.9246 6.8785 6.8785 9.1627 9.1627 10.1212 10.1212 k = 0.1146 0.1259 0.6761 ( 5910 PWs) bands (ev): -48.3156 -48.3156 -48.3138 -48.3138 -20.3679 -20.3679 -20.3596 -20.3596 -20.1976 -20.1976 -20.1901 -20.1901 -20.1797 -20.1797 -20.1680 -20.1680 -3.1483 -3.1483 -2.8976 -2.8976 -0.4076 -0.4076 0.2514 0.2514 0.5316 0.5316 0.6486 0.6486 1.4415 1.4415 1.7290 1.7290 4.8655 4.8655 6.9993 6.9993 9.2035 9.2035 10.1199 10.1199 k = 0.1250 0.1373 0.6761 ( 5914 PWs) bands (ev): -48.3155 -48.3155 -48.3139 -48.3139 -20.3676 -20.3676 -20.3598 -20.3598 -20.1971 -20.1971 -20.1901 -20.1901 -20.1797 -20.1797 -20.1687 -20.1687 -3.1435 -3.1435 -2.9026 -2.9026 -0.3944 -0.3944 0.2322 0.2322 0.5293 0.5293 0.6488 0.6488 1.4474 1.4474 1.7325 1.7325 4.8102 4.8102 7.1211 7.1211 9.2474 9.2474 10.1173 10.1173 k = 0.1354 0.1488 0.6761 ( 5922 PWs) bands (ev): -48.3155 -48.3155 -48.3139 -48.3139 -20.3672 -20.3672 -20.3600 -20.3600 -20.1966 -20.1966 -20.1901 -20.1901 -20.1797 -20.1797 -20.1695 -20.1695 -3.1384 -3.1384 -2.9077 -2.9077 -0.3804 -0.3804 0.2120 0.2120 0.5274 0.5274 0.6490 0.6490 1.4531 1.4531 1.7360 1.7360 4.7589 4.7589 7.2434 7.2434 9.2939 9.2939 10.1131 10.1131 k = 0.1458 0.1602 0.6761 ( 5914 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3668 -20.3668 -20.3602 -20.3602 -20.1960 -20.1960 -20.1900 -20.1900 -20.1797 -20.1797 -20.1702 -20.1702 -3.1333 -3.1333 -2.9130 -2.9130 -0.3656 -0.3656 0.1912 0.1912 0.5258 0.5258 0.6491 0.6491 1.4585 1.4585 1.7396 1.7396 4.7117 4.7117 7.3655 7.3655 9.3429 9.3429 10.1068 10.1068 k = 0.1562 0.1717 0.6761 ( 5914 PWs) bands (ev): -48.3154 -48.3154 -48.3140 -48.3140 -20.3665 -20.3665 -20.3605 -20.3605 -20.1954 -20.1954 -20.1900 -20.1900 -20.1796 -20.1796 -20.1710 -20.1710 -3.1280 -3.1280 -2.9184 -2.9184 -0.3503 -0.3503 0.1700 0.1700 0.5245 0.5245 0.6492 0.6492 1.4636 1.4636 1.7430 1.7430 4.6686 4.6686 7.4865 7.4865 9.3938 9.3938 10.0981 10.0981 k = 0.1667 0.1831 0.6761 ( 5910 PWs) bands (ev): -48.3153 -48.3153 -48.3141 -48.3141 -20.3661 -20.3661 -20.3607 -20.3607 -20.1948 -20.1948 -20.1899 -20.1899 -20.1796 -20.1796 -20.1718 -20.1718 -3.1228 -3.1228 -2.9237 -2.9237 -0.3346 -0.3346 0.1486 0.1486 0.5235 0.5235 0.6493 0.6493 1.4682 1.4682 1.7463 1.7463 4.6298 4.6298 7.6054 7.6054 9.4463 9.4463 10.0866 10.0866 k = 0.1771 0.1946 0.6761 ( 5902 PWs) bands (ev): -48.3152 -48.3152 -48.3142 -48.3142 -20.3657 -20.3657 -20.3609 -20.3609 -20.1942 -20.1942 -20.1899 -20.1899 -20.1795 -20.1795 -20.1726 -20.1726 -3.1177 -3.1177 -2.9289 -2.9289 -0.3188 -0.3188 0.1276 0.1276 0.5227 0.5227 0.6493 0.6493 1.4724 1.4724 1.7495 1.7495 4.5954 4.5954 7.7208 7.7208 9.4999 9.4999 10.0717 10.0717 k = 0.1875 0.2060 0.6761 ( 5908 PWs) bands (ev): -48.3152 -48.3152 -48.3142 -48.3142 -20.3653 -20.3653 -20.3613 -20.3613 -20.1936 -20.1936 -20.1900 -20.1900 -20.1793 -20.1793 -20.1734 -20.1734 -3.1128 -3.1128 -2.9339 -2.9339 -0.3032 -0.3032 0.1071 0.1071 0.5220 0.5220 0.6494 0.6494 1.4762 1.4762 1.7523 1.7523 4.5654 4.5654 7.8308 7.8308 9.5541 9.5541 10.0531 10.0531 k = 0.1979 0.2175 0.6761 ( 5910 PWs) bands (ev): -48.3151 -48.3151 -48.3143 -48.3143 -20.3650 -20.3650 -20.3615 -20.3615 -20.1931 -20.1931 -20.1900 -20.1900 -20.1792 -20.1792 -20.1741 -20.1741 -3.1083 -3.1083 -2.9385 -2.9385 -0.2882 -0.2882 0.0879 0.0879 0.5215 0.5215 0.6494 0.6494 1.4794 1.4794 1.7548 1.7548 4.5399 4.5399 7.9332 7.9332 9.6082 9.6082 10.0305 10.0305 k = 0.2083 0.2289 0.6761 ( 5914 PWs) bands (ev): -48.3150 -48.3150 -48.3144 -48.3144 -20.3646 -20.3646 -20.3618 -20.3618 -20.1926 -20.1926 -20.1901 -20.1901 -20.1790 -20.1790 -20.1749 -20.1749 -3.1043 -3.1043 -2.9426 -2.9426 -0.2742 -0.2742 0.0704 0.0704 0.5211 0.5211 0.6494 0.6494 1.4820 1.4820 1.7570 1.7570 4.5189 4.5189 8.0251 8.0251 9.6616 9.6616 10.0036 10.0036 k = 0.2188 0.2404 0.6761 ( 5916 PWs) bands (ev): -48.3149 -48.3149 -48.3145 -48.3145 -20.3643 -20.3643 -20.3621 -20.3621 -20.1922 -20.1922 -20.1902 -20.1902 -20.1787 -20.1787 -20.1756 -20.1756 -3.1010 -3.1010 -2.9459 -2.9459 -0.2621 -0.2621 0.0555 0.0555 0.5209 0.5209 0.6494 0.6494 1.4841 1.4841 1.7587 1.7587 4.5026 4.5026 8.1029 8.1029 9.7135 9.7135 9.9727 9.9727 k = 0.2292 0.2518 0.6761 ( 5910 PWs) bands (ev): -48.3148 -48.3148 -48.3145 -48.3145 -20.3639 -20.3639 -20.3624 -20.3624 -20.1917 -20.1917 -20.1903 -20.1903 -20.1783 -20.1783 -20.1762 -20.1762 -3.0985 -3.0985 -2.9485 -2.9485 -0.2525 -0.2525 0.0438 0.0438 0.5207 0.5207 0.6494 0.6494 1.4855 1.4855 1.7600 1.7600 4.4909 4.4909 8.1626 8.1626 9.7631 9.7631 9.9381 9.9381 k = 0.2396 0.2633 0.6761 ( 5894 PWs) bands (ev): -48.3148 -48.3148 -48.3146 -48.3146 -20.3635 -20.3635 -20.3627 -20.3627 -20.1914 -20.1914 -20.1904 -20.1904 -20.1779 -20.1779 -20.1768 -20.1768 -3.0969 -3.0969 -2.9501 -2.9501 -0.2463 -0.2463 0.0364 0.0364 0.5206 0.5206 0.6494 0.6494 1.4864 1.4864 1.7607 1.7607 4.4838 4.4838 8.2004 8.2004 9.8092 9.8092 9.9011 9.9011 k = 0.2500 0.2747 0.6761 ( 5896 PWs) bands (ev): -48.3147 -48.3147 -48.3147 -48.3147 -20.3633 -20.3633 -20.3629 -20.3629 -20.1913 -20.1913 -20.1905 -20.1905 -20.1776 -20.1776 -20.1772 -20.1772 -3.0964 -3.0964 -2.9506 -2.9506 -0.2442 -0.2442 0.0338 0.0338 0.5206 0.5206 0.6494 0.6494 1.4867 1.4867 1.7610 1.7610 4.4815 4.4815 8.2134 8.2134 9.8407 9.8407 9.8726 9.8726 Writing output data file Na2H4Pt.save init_run : 0.28s CPU 0.43s WALL ( 1 calls) electrons : 128.10s CPU 130.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 128.09s CPU 130.00s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 335 calls) cegterg : 116.09s CPU 117.54s WALL ( 366 calls) Called by sum_band: Called by *egterg: h_psi : 84.86s CPU 86.04s WALL ( 5804 calls) s_psi : 1.54s CPU 1.58s WALL ( 5804 calls) g_psi : 0.26s CPU 0.23s WALL ( 5103 calls) cdiaghg : 27.65s CPU 28.10s WALL ( 5438 calls) cegterg:over : 4.30s CPU 4.29s WALL ( 5103 calls) cegterg:upda : 4.17s CPU 4.04s WALL ( 5103 calls) cegterg:last : 1.99s CPU 2.07s WALL ( 1036 calls) cdiaghg:chol : 1.49s CPU 1.61s WALL ( 5438 calls) cdiaghg:inve : 0.96s CPU 0.88s WALL ( 5438 calls) cdiaghg:para : 1.54s CPU 1.60s WALL ( 10876 calls) Called by h_psi: h_psi:vloc : 80.24s CPU 81.42s WALL ( 5804 calls) h_psi:vnl : 4.41s CPU 4.40s WALL ( 5804 calls) add_vuspsi : 1.97s CPU 1.96s WALL ( 5804 calls) General routines calbec : 2.42s CPU 2.42s WALL ( 5804 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 75.56s CPU 76.82s WALL ( 549572 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.21s WALL ( 670 calls) Parallel routines fft_scatter : 26.96s CPU 27.40s WALL ( 549595 calls) PWSCF : 2m23.56s CPU 2m39.82s WALL This run was terminated on: 18:42: 6 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=