Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 5:34 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: ./Ca3SiBr2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 132 96 27 2797 1738 270 Max 133 97 28 2800 1750 273 Sum 4773 3479 1003 100735 62729 9773 bravais-lattice index = 14 lattice parameter (alat) = 19.1726 a.u. unit-cell volume = 1313.7339 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 19.172631 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.901856 celldm(5)= -0.901856 celldm(6)= 0.803712 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.803712 0.595018 0.000000 ) a(3) = ( -0.901856 -0.297509 0.313279 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.350735 1.596019 ) b(2) = ( 0.000000 1.680620 1.596019 ) b(3) = ( 0.000000 0.000000 3.192039 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 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= 295 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0000000 0.0000000 0.0319204), wk = 0.0033898 k( 3) = ( 0.0000000 0.0000000 0.0638408), wk = 0.0033898 k( 4) = ( 0.0000000 0.0000000 0.0957612), wk = 0.0033898 k( 5) = ( 0.0000000 0.0000000 0.1276816), wk = 0.0033898 k( 6) = ( 0.0000000 0.0000000 0.1596019), wk = 0.0033898 k( 7) = ( 0.0000000 0.0000000 0.1915223), wk = 0.0033898 k( 8) = ( 0.0000000 0.0000000 0.2234427), wk = 0.0033898 k( 9) = ( 0.0000000 0.0000000 0.2553631), wk = 0.0033898 k( 10) = ( 0.0000000 0.0000000 0.2872835), wk = 0.0033898 k( 11) = ( 0.0000000 0.0000000 0.3192039), wk = 0.0033898 k( 12) = ( 0.0000000 0.0000000 0.3511243), wk = 0.0033898 k( 13) = ( 0.0000000 0.0000000 0.3830447), wk = 0.0033898 k( 14) = ( 0.0000000 0.0000000 0.4149651), wk = 0.0033898 k( 15) = ( 0.0000000 0.0000000 0.4468855), wk = 0.0033898 k( 16) = ( 0.0000000 0.0000000 0.4788058), wk = 0.0033898 k( 17) = ( 0.0000000 0.0000000 0.5107262), wk = 0.0033898 k( 18) = ( 0.0000000 0.0000000 0.5426466), wk = 0.0033898 k( 19) = ( 0.0000000 0.0000000 0.5745670), wk = 0.0033898 k( 20) = ( 0.0000000 0.0000000 0.6064874), wk = 0.0033898 k( 21) = ( 0.0000000 0.0000000 0.6384078), wk = 0.0033898 k( 22) = ( 0.0000000 0.0000000 0.6703282), wk = 0.0033898 k( 23) = ( 0.0000000 0.0000000 0.7022486), wk = 0.0033898 k( 24) = ( 0.0000000 0.0000000 0.7341690), wk = 0.0033898 k( 25) = ( 0.0000000 0.0000000 0.7660894), wk = 0.0033898 k( 26) = ( 0.0000000 0.0000000 0.7980097), wk = 0.0033898 k( 27) = ( 0.0000000 0.0000000 0.8299301), wk = 0.0033898 k( 28) = ( 0.0000000 0.0000000 0.8618505), wk = 0.0033898 k( 29) = ( 0.0000000 0.0000000 0.8937709), wk = 0.0033898 k( 30) = ( 0.0000000 0.0000000 0.9256913), wk = 0.0033898 k( 31) = ( 0.0000000 0.0000000 0.9576117), wk = 0.0033898 k( 32) = ( 0.0000000 0.0000000 0.9895321), wk = 0.0033898 k( 33) = ( 0.0000000 0.0000000 1.0214525), wk = 0.0033898 k( 34) = ( 0.0000000 0.0000000 1.0533729), wk = 0.0033898 k( 35) = ( 0.0000000 0.0000000 1.0852933), wk = 0.0033898 k( 36) = ( 0.0000000 0.0000000 1.1172136), wk = 0.0033898 k( 37) = ( 0.0000000 0.0000000 1.1491340), wk = 0.0033898 k( 38) = ( 0.0000000 0.0000000 1.1810544), wk = 0.0033898 k( 39) = ( 0.0000000 0.0000000 1.2129748), wk = 0.0033898 k( 40) = ( 0.0000000 0.0000000 1.2448952), wk = 0.0033898 k( 41) = ( 0.0000000 0.0000000 1.2768156), wk = 0.0033898 k( 42) = ( 0.0000000 0.0000000 1.3087360), wk = 0.0033898 k( 43) = ( 0.0000000 0.0000000 1.3406564), wk = 0.0033898 k( 44) = ( 0.0000000 0.0000000 1.3725768), wk = 0.0033898 k( 45) = ( 0.0000000 0.0000000 1.4044972), wk = 0.0033898 k( 46) = ( 0.0000000 0.0000000 1.4364175), wk = 0.0033898 k( 47) = ( 0.0000000 0.0000000 1.4683379), wk = 0.0033898 k( 48) = ( 0.0000000 0.0000000 1.5002583), wk = 0.0033898 k( 49) = ( 0.0000000 0.0000000 1.5321787), wk = 0.0033898 k( 50) = ( 0.0000000 0.0000000 1.5640991), wk = 0.0033898 k( 51) = ( 0.0000000 0.0000000 1.5960195), wk = 0.0033898 k( 52) = ( 0.0000000 0.0000000 1.5960195), wk = 0.0033898 k( 53) = ( -0.0090687 0.0274904 1.5960195), wk = 0.0033898 k( 54) = ( -0.0181374 0.0549809 1.5960195), wk = 0.0033898 k( 55) = ( -0.0272061 0.0824714 1.5960195), wk = 0.0033898 k( 56) = ( -0.0272061 0.0824714 1.5960195), wk = 0.0033898 k( 57) = ( -0.0341590 0.1035479 1.5738257), wk = 0.0033898 k( 58) = ( -0.0411118 0.1246245 1.5516320), wk = 0.0033898 k( 59) = ( -0.0480647 0.1457010 1.5294382), wk = 0.0033898 k( 60) = ( -0.0550175 0.1667776 1.5072444), wk = 0.0033898 k( 61) = ( -0.0619704 0.1878542 1.4850506), wk = 0.0033898 k( 62) = ( -0.0689232 0.2089307 1.4628569), wk = 0.0033898 k( 63) = ( -0.0758761 0.2300073 1.4406631), wk = 0.0033898 k( 64) = ( -0.0828289 0.2510839 1.4184693), wk = 0.0033898 k( 65) = ( -0.0897818 0.2721604 1.3962756), wk = 0.0033898 k( 66) = ( -0.0967346 0.2932370 1.3740818), wk = 0.0033898 k( 67) = ( -0.1036875 0.3143135 1.3518880), wk = 0.0033898 k( 68) = ( -0.1106403 0.3353901 1.3296942), wk = 0.0033898 k( 69) = ( -0.1175932 0.3564667 1.3075004), wk = 0.0033898 k( 70) = ( -0.1245460 0.3775432 1.2853067), wk = 0.0033898 k( 71) = ( -0.1314989 0.3986198 1.2631129), wk = 0.0033898 k( 72) = ( -0.1384517 0.4196963 1.2409191), wk = 0.0033898 k( 73) = ( -0.1454046 0.4407729 1.2187254), wk = 0.0033898 k( 74) = ( -0.1523574 0.4618495 1.1965316), wk = 0.0033898 k( 75) = ( -0.1593103 0.4829260 1.1743378), wk = 0.0033898 k( 76) = ( -0.1662631 0.5040026 1.1521440), wk = 0.0033898 k( 77) = ( -0.1732160 0.5250792 1.1299503), wk = 0.0033898 k( 78) = ( -0.1801688 0.5461557 1.1077565), wk = 0.0033898 k( 79) = ( -0.1871217 0.5672323 1.0855627), wk = 0.0033898 k( 80) = ( -0.1940745 0.5883088 1.0633690), wk = 0.0033898 k( 81) = ( -0.2010274 0.6093854 1.0411752), wk = 0.0033898 k( 82) = ( -0.2079802 0.6304619 1.0189814), wk = 0.0033898 k( 83) = ( -0.2149331 0.6515385 0.9967876), wk = 0.0033898 k( 84) = ( -0.2218859 0.6726151 0.9745939), wk = 0.0033898 k( 85) = ( -0.2288388 0.6936916 0.9524001), wk = 0.0033898 k( 86) = ( -0.2357916 0.7147682 0.9302063), wk = 0.0033898 k( 87) = ( -0.2427445 0.7358447 0.9080126), wk = 0.0033898 k( 88) = ( -0.2496974 0.7569213 0.8858188), wk = 0.0033898 k( 89) = ( -0.2566502 0.7779979 0.8636250), wk = 0.0033898 k( 90) = ( -0.2636031 0.7990744 0.8414312), wk = 0.0033898 k( 91) = ( -0.2636031 0.7990744 0.8414312), wk = 0.0033898 k( 92) = ( -0.2564786 0.7774778 0.8186899), wk = 0.0033898 k( 93) = ( -0.2493542 0.7558812 0.7959485), wk = 0.0033898 k( 94) = ( -0.2422298 0.7342846 0.7732071), wk = 0.0033898 k( 95) = ( -0.2351054 0.7126880 0.7504657), wk = 0.0033898 k( 96) = ( -0.2279810 0.6910914 0.7277243), wk = 0.0033898 k( 97) = ( -0.2208566 0.6694948 0.7049829), wk = 0.0033898 k( 98) = ( -0.2137322 0.6478982 0.6822415), wk = 0.0033898 k( 99) = ( -0.2066078 0.6263016 0.6595002), wk = 0.0033898 k( 100) = ( -0.1994834 0.6047050 0.6367588), wk = 0.0033898 k( 101) = ( -0.1923590 0.5831084 0.6140174), wk = 0.0033898 k( 102) = ( -0.1852346 0.5615118 0.5912760), wk = 0.0033898 k( 103) = ( -0.1781102 0.5399151 0.5685346), wk = 0.0033898 k( 104) = ( -0.1709858 0.5183185 0.5457932), wk = 0.0033898 k( 105) = ( -0.1638614 0.4967219 0.5230519), wk = 0.0033898 k( 106) = ( -0.1567370 0.4751253 0.5003105), wk = 0.0033898 k( 107) = ( -0.1496125 0.4535287 0.4775691), wk = 0.0033898 k( 108) = ( -0.1424881 0.4319321 0.4548277), wk = 0.0033898 k( 109) = ( -0.1353637 0.4103355 0.4320863), wk = 0.0033898 k( 110) = ( -0.1282393 0.3887389 0.4093449), wk = 0.0033898 k( 111) = ( -0.1211149 0.3671423 0.3866035), wk = 0.0033898 k( 112) = ( -0.1139905 0.3455457 0.3638622), wk = 0.0033898 k( 113) = ( -0.1068661 0.3239491 0.3411208), wk = 0.0033898 k( 114) = ( -0.0997417 0.3023525 0.3183794), wk = 0.0033898 k( 115) = ( -0.0926173 0.2807559 0.2956380), wk = 0.0033898 k( 116) = ( -0.0854929 0.2591593 0.2728966), wk = 0.0033898 k( 117) = ( -0.0783685 0.2375627 0.2501552), wk = 0.0033898 k( 118) = ( -0.0712441 0.2159661 0.2274138), wk = 0.0033898 k( 119) = ( -0.0641197 0.1943695 0.2046725), wk = 0.0033898 k( 120) = ( -0.0569952 0.1727728 0.1819311), wk = 0.0033898 k( 121) = ( -0.0498709 0.1511762 0.1591897), wk = 0.0033898 k( 122) = ( -0.0427464 0.1295796 0.1364483), wk = 0.0033898 k( 123) = ( -0.0356220 0.1079830 0.1137069), wk = 0.0033898 k( 124) = ( -0.0284976 0.0863864 0.0909655), wk = 0.0033898 k( 125) = ( -0.0213732 0.0647898 0.0682242), wk = 0.0033898 k( 126) = ( -0.0142488 0.0431932 0.0454828), wk = 0.0033898 k( 127) = ( -0.0071244 0.0215966 0.0227414), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 130) = ( 0.0294118 0.0097025 -0.0000000), wk = 0.0033898 k( 131) = ( 0.0588235 0.0194050 -0.0000000), wk = 0.0033898 k( 132) = ( 0.0882353 0.0291075 -0.0000000), wk = 0.0033898 k( 133) = ( 0.1176471 0.0388101 -0.0000000), wk = 0.0033898 k( 134) = ( 0.1470588 0.0485126 -0.0000000), wk = 0.0033898 k( 135) = ( 0.1764706 0.0582151 -0.0000000), wk = 0.0033898 k( 136) = ( 0.2058823 0.0679176 -0.0000000), wk = 0.0033898 k( 137) = ( 0.2352941 0.0776201 -0.0000000), wk = 0.0033898 k( 138) = ( 0.2647059 0.0873226 -0.0000000), wk = 0.0033898 k( 139) = ( 0.2941177 0.0970251 -0.0000000), wk = 0.0033898 k( 140) = ( 0.3235294 0.1067277 -0.0000000), wk = 0.0033898 k( 141) = ( 0.3529412 0.1164302 -0.0000000), wk = 0.0033898 k( 142) = ( 0.3823529 0.1261327 -0.0000000), wk = 0.0033898 k( 143) = ( 0.4117647 0.1358352 -0.0000000), wk = 0.0033898 k( 144) = ( 0.4411765 0.1455377 -0.0000000), wk = 0.0033898 k( 145) = ( 0.4705882 0.1552402 -0.0000000), wk = 0.0033898 k( 146) = ( 0.5000000 0.1649427 -0.0000000), wk = 0.0033898 k( 147) = ( 0.5000000 0.1649427 -0.0000000), wk = 0.0033898 k( 148) = ( 0.4930471 0.1860193 0.0221938), wk = 0.0033898 k( 149) = ( 0.4860943 0.2070959 0.0443875), wk = 0.0033898 k( 150) = ( 0.4791415 0.2281724 0.0665813), wk = 0.0033898 k( 151) = ( 0.4721886 0.2492490 0.0887751), wk = 0.0033898 k( 152) = ( 0.4652357 0.2703256 0.1109689), wk = 0.0033898 k( 153) = ( 0.4582829 0.2914021 0.1331626), wk = 0.0033898 k( 154) = ( 0.4513300 0.3124787 0.1553564), wk = 0.0033898 k( 155) = ( 0.4443772 0.3335552 0.1775502), wk = 0.0033898 k( 156) = ( 0.4374243 0.3546318 0.1997439), wk = 0.0033898 k( 157) = ( 0.4304715 0.3757083 0.2219377), wk = 0.0033898 k( 158) = ( 0.4235186 0.3967849 0.2441315), wk = 0.0033898 k( 159) = ( 0.4165658 0.4178615 0.2663253), wk = 0.0033898 k( 160) = ( 0.4096129 0.4389380 0.2885191), wk = 0.0033898 k( 161) = ( 0.4026601 0.4600146 0.3107128), wk = 0.0033898 k( 162) = ( 0.3957072 0.4810911 0.3329066), wk = 0.0033898 k( 163) = ( 0.3887544 0.5021677 0.3551004), wk = 0.0033898 k( 164) = ( 0.3818015 0.5232443 0.3772941), wk = 0.0033898 k( 165) = ( 0.3748487 0.5443208 0.3994879), wk = 0.0033898 k( 166) = ( 0.3678958 0.5653974 0.4216817), wk = 0.0033898 k( 167) = ( 0.3609430 0.5864740 0.4438755), wk = 0.0033898 k( 168) = ( 0.3539901 0.6075505 0.4660692), wk = 0.0033898 k( 169) = ( 0.3470373 0.6286271 0.4882630), wk = 0.0033898 k( 170) = ( 0.3400844 0.6497036 0.5104568), wk = 0.0033898 k( 171) = ( 0.3331316 0.6707802 0.5326505), wk = 0.0033898 k( 172) = ( 0.3261787 0.6918567 0.5548443), wk = 0.0033898 k( 173) = ( 0.3192259 0.7129333 0.5770381), wk = 0.0033898 k( 174) = ( 0.3122730 0.7340099 0.5992319), wk = 0.0033898 k( 175) = ( 0.3053202 0.7550864 0.6214256), wk = 0.0033898 k( 176) = ( 0.2983673 0.7761630 0.6436194), wk = 0.0033898 k( 177) = ( 0.2914145 0.7972396 0.6658132), wk = 0.0033898 k( 178) = ( 0.2844616 0.8183161 0.6880069), wk = 0.0033898 k( 179) = ( 0.2775088 0.8393927 0.7102007), wk = 0.0033898 k( 180) = ( 0.2705559 0.8604692 0.7323945), wk = 0.0033898 k( 181) = ( 0.2636031 0.8815458 0.7545883), wk = 0.0033898 k( 182) = ( 0.2636031 0.8815458 0.7545883), wk = 0.0033898 k( 183) = ( 0.2343138 0.8769641 0.7594129), wk = 0.0033898 k( 184) = ( 0.2050246 0.8723823 0.7642375), wk = 0.0033898 k( 185) = ( 0.1757354 0.8678006 0.7690621), wk = 0.0033898 k( 186) = ( 0.1464461 0.8632188 0.7738867), wk = 0.0033898 k( 187) = ( 0.1171569 0.8586371 0.7787113), wk = 0.0033898 k( 188) = ( 0.0878677 0.8540553 0.7835359), wk = 0.0033898 k( 189) = ( 0.0585785 0.8494736 0.7883605), wk = 0.0033898 k( 190) = ( 0.0292892 0.8448919 0.7931851), wk = 0.0033898 k( 191) = ( 0.0000000 0.8403101 0.7980097), wk = 0.0033898 k( 192) = ( 0.0000000 0.8403101 0.7980097), wk = 0.0033898 k( 193) = ( 0.0071429 0.8186576 0.8208100), wk = 0.0033898 k( 194) = ( 0.0142857 0.7970051 0.8436103), wk = 0.0033898 k( 195) = ( 0.0214286 0.7753525 0.8664106), wk = 0.0033898 k( 196) = ( 0.0285714 0.7537000 0.8892109), wk = 0.0033898 k( 197) = ( 0.0357143 0.7320474 0.9120112), wk = 0.0033898 k( 198) = ( 0.0428571 0.7103949 0.9348114), wk = 0.0033898 k( 199) = ( 0.0500000 0.6887424 0.9576117), wk = 0.0033898 k( 200) = ( 0.0571429 0.6670898 0.9804120), wk = 0.0033898 k( 201) = ( 0.0642857 0.6454373 1.0032122), wk = 0.0033898 k( 202) = ( 0.0714286 0.6237848 1.0260125), wk = 0.0033898 k( 203) = ( 0.0785714 0.6021322 1.0488128), wk = 0.0033898 k( 204) = ( 0.0857143 0.5804797 1.0716131), wk = 0.0033898 k( 205) = ( 0.0928571 0.5588272 1.0944134), wk = 0.0033898 k( 206) = ( 0.1000000 0.5371746 1.1172136), wk = 0.0033898 k( 207) = ( 0.1071429 0.5155221 1.1400139), wk = 0.0033898 k( 208) = ( 0.1142857 0.4938696 1.1628142), wk = 0.0033898 k( 209) = ( 0.1214286 0.4722170 1.1856145), wk = 0.0033898 k( 210) = ( 0.1285714 0.4505645 1.2084148), wk = 0.0033898 k( 211) = ( 0.1357143 0.4289119 1.2312151), wk = 0.0033898 k( 212) = ( 0.1428571 0.4072594 1.2540153), wk = 0.0033898 k( 213) = ( 0.1500000 0.3856069 1.2768156), wk = 0.0033898 k( 214) = ( 0.1571429 0.3639543 1.2996159), wk = 0.0033898 k( 215) = ( 0.1642857 0.3423018 1.3224161), wk = 0.0033898 k( 216) = ( 0.1714286 0.3206493 1.3452164), wk = 0.0033898 k( 217) = ( 0.1785714 0.2989967 1.3680167), wk = 0.0033898 k( 218) = ( 0.1857143 0.2773442 1.3908170), wk = 0.0033898 k( 219) = ( 0.1928571 0.2556917 1.4136173), wk = 0.0033898 k( 220) = ( 0.2000000 0.2340391 1.4364175), wk = 0.0033898 k( 221) = ( 0.2071429 0.2123866 1.4592178), wk = 0.0033898 k( 222) = ( 0.2142857 0.1907341 1.4820181), wk = 0.0033898 k( 223) = ( 0.2214286 0.1690815 1.5048184), wk = 0.0033898 k( 224) = ( 0.2285714 0.1474290 1.5276187), wk = 0.0033898 k( 225) = ( 0.2357143 0.1257764 1.5504190), wk = 0.0033898 k( 226) = ( 0.2428571 0.1041239 1.5732192), wk = 0.0033898 k( 227) = ( 0.2500000 0.0824714 1.5960195), wk = 0.0033898 k( 228) = ( 0.2500000 0.0824714 1.5960195), wk = 0.0033898 k( 229) = ( 0.2777778 0.0916349 1.5863703), wk = 0.0033898 k( 230) = ( 0.3055556 0.1007983 1.5767211), wk = 0.0033898 k( 231) = ( 0.3333333 0.1099618 1.5670718), wk = 0.0033898 k( 232) = ( 0.3611111 0.1191253 1.5574226), wk = 0.0033898 k( 233) = ( 0.3888889 0.1282888 1.5477734), wk = 0.0033898 k( 234) = ( 0.4166667 0.1374523 1.5381242), wk = 0.0033898 k( 235) = ( 0.4444444 0.1466158 1.5284750), wk = 0.0033898 k( 236) = ( 0.4722222 0.1557793 1.5188258), wk = 0.0033898 k( 237) = ( 0.5000000 0.1649427 1.5091765), wk = 0.0033898 k( 238) = ( 0.5000000 0.1649427 1.5091765), wk = 0.0033898 k( 239) = ( 0.5000000 0.1649427 1.4770664), wk = 0.0033898 k( 240) = ( 0.5000000 0.1649427 1.4449563), wk = 0.0033898 k( 241) = ( 0.5000000 0.1649427 1.4128461), wk = 0.0033898 k( 242) = ( 0.5000000 0.1649427 1.3807360), wk = 0.0033898 k( 243) = ( 0.5000000 0.1649427 1.3486258), wk = 0.0033898 k( 244) = ( 0.5000000 0.1649427 1.3165157), wk = 0.0033898 k( 245) = ( 0.5000000 0.1649427 1.2844056), wk = 0.0033898 k( 246) = ( 0.5000000 0.1649427 1.2522954), wk = 0.0033898 k( 247) = ( 0.5000000 0.1649427 1.2201853), wk = 0.0033898 k( 248) = ( 0.5000000 0.1649427 1.1880752), wk = 0.0033898 k( 249) = ( 0.5000000 0.1649427 1.1559650), wk = 0.0033898 k( 250) = ( 0.5000000 0.1649427 1.1238549), wk = 0.0033898 k( 251) = ( 0.5000000 0.1649427 1.0917447), wk = 0.0033898 k( 252) = ( 0.5000000 0.1649427 1.0596346), wk = 0.0033898 k( 253) = ( 0.5000000 0.1649427 1.0275244), wk = 0.0033898 k( 254) = ( 0.5000000 0.1649427 0.9954143), wk = 0.0033898 k( 255) = ( 0.5000000 0.1649427 0.9633042), wk = 0.0033898 k( 256) = ( 0.5000000 0.1649427 0.9311940), wk = 0.0033898 k( 257) = ( 0.5000000 0.1649427 0.8990839), wk = 0.0033898 k( 258) = ( 0.5000000 0.1649427 0.8669738), wk = 0.0033898 k( 259) = ( 0.5000000 0.1649427 0.8348636), wk = 0.0033898 k( 260) = ( 0.5000000 0.1649427 0.8027535), wk = 0.0033898 k( 261) = ( 0.5000000 0.1649427 0.7706433), wk = 0.0033898 k( 262) = ( 0.5000000 0.1649427 0.7385332), wk = 0.0033898 k( 263) = ( 0.5000000 0.1649427 0.7064231), wk = 0.0033898 k( 264) = ( 0.5000000 0.1649427 0.6743129), wk = 0.0033898 k( 265) = ( 0.5000000 0.1649427 0.6422028), wk = 0.0033898 k( 266) = ( 0.5000000 0.1649427 0.6100927), wk = 0.0033898 k( 267) = ( 0.5000000 0.1649427 0.5779825), wk = 0.0033898 k( 268) = ( 0.5000000 0.1649427 0.5458724), wk = 0.0033898 k( 269) = ( 0.5000000 0.1649427 0.5137622), wk = 0.0033898 k( 270) = ( 0.5000000 0.1649427 0.4816521), wk = 0.0033898 k( 271) = ( 0.5000000 0.1649427 0.4495419), wk = 0.0033898 k( 272) = ( 0.5000000 0.1649427 0.4174318), wk = 0.0033898 k( 273) = ( 0.5000000 0.1649427 0.3853217), wk = 0.0033898 k( 274) = ( 0.5000000 0.1649427 0.3532115), wk = 0.0033898 k( 275) = ( 0.5000000 0.1649427 0.3211014), wk = 0.0033898 k( 276) = ( 0.5000000 0.1649427 0.2889913), wk = 0.0033898 k( 277) = ( 0.5000000 0.1649427 0.2568811), wk = 0.0033898 k( 278) = ( 0.5000000 0.1649427 0.2247710), wk = 0.0033898 k( 279) = ( 0.5000000 0.1649427 0.1926608), wk = 0.0033898 k( 280) = ( 0.5000000 0.1649427 0.1605507), wk = 0.0033898 k( 281) = ( 0.5000000 0.1649427 0.1284406), wk = 0.0033898 k( 282) = ( 0.5000000 0.1649427 0.0963304), wk = 0.0033898 k( 283) = ( 0.5000000 0.1649427 0.0642203), wk = 0.0033898 k( 284) = ( 0.5000000 0.1649427 0.0321101), wk = 0.0033898 k( 285) = ( 0.5000000 0.1649427 -0.0000000), wk = 0.0033898 k( 286) = ( 0.0000000 0.0000000 1.5960195), wk = 0.0033898 k( 287) = ( 0.0277778 0.0091635 1.5960195), wk = 0.0033898 k( 288) = ( 0.0555556 0.0183270 1.5960195), wk = 0.0033898 k( 289) = ( 0.0833333 0.0274905 1.5960195), wk = 0.0033898 k( 290) = ( 0.1111111 0.0366539 1.5960195), wk = 0.0033898 k( 291) = ( 0.1388889 0.0458174 1.5960195), wk = 0.0033898 k( 292) = ( 0.1666667 0.0549809 1.5960195), wk = 0.0033898 k( 293) = ( 0.1944444 0.0641444 1.5960195), wk = 0.0033898 k( 294) = ( 0.2222222 0.0733079 1.5960195), wk = 0.0033898 k( 295) = ( 0.2500000 0.0824714 1.5960195), wk = 0.0033898 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0000000 0.0000000 0.0100000), wk = 0.0033898 k( 3) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0033898 k( 4) = ( 0.0000000 0.0000000 0.0300000), wk = 0.0033898 k( 5) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0033898 k( 6) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033898 k( 7) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0033898 k( 8) = ( 0.0000000 0.0000000 0.0700000), wk = 0.0033898 k( 9) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0033898 k( 10) = ( 0.0000000 0.0000000 0.0900000), wk = 0.0033898 k( 11) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033898 k( 12) = ( 0.0000000 0.0000000 0.1100000), wk = 0.0033898 k( 13) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0033898 k( 14) = ( 0.0000000 0.0000000 0.1300000), wk = 0.0033898 k( 15) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0033898 k( 16) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033898 k( 17) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0033898 k( 18) = ( 0.0000000 0.0000000 0.1700000), wk = 0.0033898 k( 19) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0033898 k( 20) = ( 0.0000000 0.0000000 0.1900000), wk = 0.0033898 k( 21) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033898 k( 22) = ( 0.0000000 0.0000000 0.2100000), wk = 0.0033898 k( 23) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0033898 k( 24) = ( 0.0000000 0.0000000 0.2300000), wk = 0.0033898 k( 25) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0033898 k( 26) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033898 k( 27) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0033898 k( 28) = ( 0.0000000 0.0000000 0.2700000), wk = 0.0033898 k( 29) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0033898 k( 30) = ( 0.0000000 0.0000000 0.2900000), wk = 0.0033898 k( 31) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033898 k( 32) = ( 0.0000000 0.0000000 0.3100000), wk = 0.0033898 k( 33) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0033898 k( 34) = ( 0.0000000 0.0000000 0.3300000), wk = 0.0033898 k( 35) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0033898 k( 36) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033898 k( 37) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0033898 k( 38) = ( 0.0000000 0.0000000 0.3700000), wk = 0.0033898 k( 39) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0033898 k( 40) = ( 0.0000000 0.0000000 0.3900000), wk = 0.0033898 k( 41) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033898 k( 42) = ( 0.0000000 0.0000000 0.4100000), wk = 0.0033898 k( 43) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0033898 k( 44) = ( 0.0000000 0.0000000 0.4300000), wk = 0.0033898 k( 45) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0033898 k( 46) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033898 k( 47) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0033898 k( 48) = ( 0.0000000 0.0000000 0.4700000), wk = 0.0033898 k( 49) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0033898 k( 50) = ( 0.0000000 0.0000000 0.4900000), wk = 0.0033898 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 52) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 53) = ( -0.0090687 0.0090687 0.5000000), wk = 0.0033898 k( 54) = ( -0.0181374 0.0181374 0.5000000), wk = 0.0033898 k( 55) = ( -0.0272061 0.0272061 0.5000000), wk = 0.0033898 k( 56) = ( -0.0272061 0.0272061 0.5000000), wk = 0.0033898 k( 57) = ( -0.0341590 0.0341590 0.4930471), wk = 0.0033898 k( 58) = ( -0.0411118 0.0411118 0.4860943), wk = 0.0033898 k( 59) = ( -0.0480647 0.0480647 0.4791415), wk = 0.0033898 k( 60) = ( -0.0550175 0.0550175 0.4721886), wk = 0.0033898 k( 61) = ( -0.0619704 0.0619704 0.4652357), wk = 0.0033898 k( 62) = ( -0.0689232 0.0689232 0.4582829), wk = 0.0033898 k( 63) = ( -0.0758761 0.0758761 0.4513300), wk = 0.0033898 k( 64) = ( -0.0828289 0.0828289 0.4443772), wk = 0.0033898 k( 65) = ( -0.0897818 0.0897818 0.4374243), wk = 0.0033898 k( 66) = ( -0.0967346 0.0967346 0.4304715), wk = 0.0033898 k( 67) = ( -0.1036875 0.1036875 0.4235186), wk = 0.0033898 k( 68) = ( -0.1106403 0.1106403 0.4165658), wk = 0.0033898 k( 69) = ( -0.1175932 0.1175932 0.4096129), wk = 0.0033898 k( 70) = ( -0.1245460 0.1245460 0.4026601), wk = 0.0033898 k( 71) = ( -0.1314989 0.1314989 0.3957072), wk = 0.0033898 k( 72) = ( -0.1384517 0.1384517 0.3887544), wk = 0.0033898 k( 73) = ( -0.1454046 0.1454046 0.3818015), wk = 0.0033898 k( 74) = ( -0.1523574 0.1523574 0.3748487), wk = 0.0033898 k( 75) = ( -0.1593103 0.1593103 0.3678958), wk = 0.0033898 k( 76) = ( -0.1662631 0.1662631 0.3609430), wk = 0.0033898 k( 77) = ( -0.1732160 0.1732160 0.3539901), wk = 0.0033898 k( 78) = ( -0.1801688 0.1801688 0.3470373), wk = 0.0033898 k( 79) = ( -0.1871217 0.1871217 0.3400844), wk = 0.0033898 k( 80) = ( -0.1940745 0.1940745 0.3331316), wk = 0.0033898 k( 81) = ( -0.2010274 0.2010274 0.3261787), wk = 0.0033898 k( 82) = ( -0.2079802 0.2079802 0.3192259), wk = 0.0033898 k( 83) = ( -0.2149331 0.2149331 0.3122730), wk = 0.0033898 k( 84) = ( -0.2218859 0.2218860 0.3053202), wk = 0.0033898 k( 85) = ( -0.2288388 0.2288388 0.2983673), wk = 0.0033898 k( 86) = ( -0.2357916 0.2357916 0.2914145), wk = 0.0033898 k( 87) = ( -0.2427445 0.2427445 0.2844616), wk = 0.0033898 k( 88) = ( -0.2496974 0.2496973 0.2775088), wk = 0.0033898 k( 89) = ( -0.2566502 0.2566502 0.2705559), wk = 0.0033898 k( 90) = ( -0.2636031 0.2636031 0.2636031), wk = 0.0033898 k( 91) = ( -0.2636031 0.2636031 0.2636031), wk = 0.0033898 k( 92) = ( -0.2564786 0.2564786 0.2564786), wk = 0.0033898 k( 93) = ( -0.2493542 0.2493542 0.2493542), wk = 0.0033898 k( 94) = ( -0.2422298 0.2422298 0.2422298), wk = 0.0033898 k( 95) = ( -0.2351054 0.2351054 0.2351054), wk = 0.0033898 k( 96) = ( -0.2279810 0.2279810 0.2279810), wk = 0.0033898 k( 97) = ( -0.2208566 0.2208566 0.2208566), wk = 0.0033898 k( 98) = ( -0.2137322 0.2137322 0.2137322), wk = 0.0033898 k( 99) = ( -0.2066078 0.2066078 0.2066078), wk = 0.0033898 k( 100) = ( -0.1994834 0.1994834 0.1994834), wk = 0.0033898 k( 101) = ( -0.1923590 0.1923590 0.1923590), wk = 0.0033898 k( 102) = ( -0.1852346 0.1852346 0.1852346), wk = 0.0033898 k( 103) = ( -0.1781102 0.1781102 0.1781102), wk = 0.0033898 k( 104) = ( -0.1709858 0.1709858 0.1709858), wk = 0.0033898 k( 105) = ( -0.1638614 0.1638614 0.1638614), wk = 0.0033898 k( 106) = ( -0.1567370 0.1567370 0.1567370), wk = 0.0033898 k( 107) = ( -0.1496125 0.1496125 0.1496125), wk = 0.0033898 k( 108) = ( -0.1424881 0.1424881 0.1424881), wk = 0.0033898 k( 109) = ( -0.1353637 0.1353637 0.1353637), wk = 0.0033898 k( 110) = ( -0.1282393 0.1282393 0.1282393), wk = 0.0033898 k( 111) = ( -0.1211149 0.1211149 0.1211149), wk = 0.0033898 k( 112) = ( -0.1139905 0.1139905 0.1139905), wk = 0.0033898 k( 113) = ( -0.1068661 0.1068661 0.1068661), wk = 0.0033898 k( 114) = ( -0.0997417 0.0997417 0.0997417), wk = 0.0033898 k( 115) = ( -0.0926173 0.0926173 0.0926173), wk = 0.0033898 k( 116) = ( -0.0854929 0.0854929 0.0854929), wk = 0.0033898 k( 117) = ( -0.0783685 0.0783685 0.0783685), wk = 0.0033898 k( 118) = ( -0.0712441 0.0712441 0.0712441), wk = 0.0033898 k( 119) = ( -0.0641197 0.0641197 0.0641197), wk = 0.0033898 k( 120) = ( -0.0569952 0.0569952 0.0569953), wk = 0.0033898 k( 121) = ( -0.0498709 0.0498709 0.0498708), wk = 0.0033898 k( 122) = ( -0.0427464 0.0427464 0.0427464), wk = 0.0033898 k( 123) = ( -0.0356220 0.0356220 0.0356220), wk = 0.0033898 k( 124) = ( -0.0284976 0.0284976 0.0284976), wk = 0.0033898 k( 125) = ( -0.0213732 0.0213732 0.0213732), wk = 0.0033898 k( 126) = ( -0.0142488 0.0142488 0.0142488), wk = 0.0033898 k( 127) = ( -0.0071244 0.0071244 0.0071244), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 130) = ( 0.0294118 0.0294118 -0.0294118), wk = 0.0033898 k( 131) = ( 0.0588235 0.0588235 -0.0588235), wk = 0.0033898 k( 132) = ( 0.0882353 0.0882353 -0.0882353), wk = 0.0033898 k( 133) = ( 0.1176471 0.1176471 -0.1176471), wk = 0.0033898 k( 134) = ( 0.1470588 0.1470588 -0.1470588), wk = 0.0033898 k( 135) = ( 0.1764706 0.1764706 -0.1764706), wk = 0.0033898 k( 136) = ( 0.2058823 0.2058824 -0.2058824), wk = 0.0033898 k( 137) = ( 0.2352941 0.2352941 -0.2352941), wk = 0.0033898 k( 138) = ( 0.2647059 0.2647059 -0.2647059), wk = 0.0033898 k( 139) = ( 0.2941177 0.2941177 -0.2941177), wk = 0.0033898 k( 140) = ( 0.3235294 0.3235294 -0.3235294), wk = 0.0033898 k( 141) = ( 0.3529412 0.3529412 -0.3529412), wk = 0.0033898 k( 142) = ( 0.3823529 0.3823529 -0.3823529), wk = 0.0033898 k( 143) = ( 0.4117647 0.4117647 -0.4117647), wk = 0.0033898 k( 144) = ( 0.4411765 0.4411765 -0.4411765), wk = 0.0033898 k( 145) = ( 0.4705882 0.4705882 -0.4705882), wk = 0.0033898 k( 146) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033898 k( 147) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033898 k( 148) = ( 0.4930471 0.5069529 -0.4930472), wk = 0.0033898 k( 149) = ( 0.4860943 0.5139057 -0.4860943), wk = 0.0033898 k( 150) = ( 0.4791415 0.5208586 -0.4791415), wk = 0.0033898 k( 151) = ( 0.4721886 0.5278114 -0.4721886), wk = 0.0033898 k( 152) = ( 0.4652357 0.5347643 -0.4652357), wk = 0.0033898 k( 153) = ( 0.4582829 0.5417171 -0.4582829), wk = 0.0033898 k( 154) = ( 0.4513300 0.5486700 -0.4513300), wk = 0.0033898 k( 155) = ( 0.4443772 0.5556228 -0.4443772), wk = 0.0033898 k( 156) = ( 0.4374243 0.5625757 -0.4374243), wk = 0.0033898 k( 157) = ( 0.4304715 0.5695285 -0.4304715), wk = 0.0033898 k( 158) = ( 0.4235186 0.5764814 -0.4235186), wk = 0.0033898 k( 159) = ( 0.4165658 0.5834342 -0.4165658), wk = 0.0033898 k( 160) = ( 0.4096129 0.5903871 -0.4096129), wk = 0.0033898 k( 161) = ( 0.4026601 0.5973399 -0.4026601), wk = 0.0033898 k( 162) = ( 0.3957072 0.6042928 -0.3957072), wk = 0.0033898 k( 163) = ( 0.3887544 0.6112456 -0.3887544), wk = 0.0033898 k( 164) = ( 0.3818015 0.6181985 -0.3818015), wk = 0.0033898 k( 165) = ( 0.3748487 0.6251513 -0.3748487), wk = 0.0033898 k( 166) = ( 0.3678958 0.6321042 -0.3678958), wk = 0.0033898 k( 167) = ( 0.3609430 0.6390570 -0.3609430), wk = 0.0033898 k( 168) = ( 0.3539901 0.6460099 -0.3539901), wk = 0.0033898 k( 169) = ( 0.3470373 0.6529627 -0.3470373), wk = 0.0033898 k( 170) = ( 0.3400844 0.6599156 -0.3400844), wk = 0.0033898 k( 171) = ( 0.3331316 0.6668684 -0.3331316), wk = 0.0033898 k( 172) = ( 0.3261787 0.6738213 -0.3261787), wk = 0.0033898 k( 173) = ( 0.3192259 0.6807741 -0.3192259), wk = 0.0033898 k( 174) = ( 0.3122730 0.6877270 -0.3122730), wk = 0.0033898 k( 175) = ( 0.3053202 0.6946798 -0.3053202), wk = 0.0033898 k( 176) = ( 0.2983673 0.7016327 -0.2983673), wk = 0.0033898 k( 177) = ( 0.2914145 0.7085855 -0.2914145), wk = 0.0033898 k( 178) = ( 0.2844616 0.7155384 -0.2844616), wk = 0.0033898 k( 179) = ( 0.2775088 0.7224912 -0.2775088), wk = 0.0033898 k( 180) = ( 0.2705559 0.7294441 -0.2705559), wk = 0.0033898 k( 181) = ( 0.2636031 0.7363970 -0.2636031), wk = 0.0033898 k( 182) = ( 0.2636031 0.7363970 -0.2636031), wk = 0.0033898 k( 183) = ( 0.2343138 0.7101306 -0.2343138), wk = 0.0033898 k( 184) = ( 0.2050246 0.6838643 -0.2050246), wk = 0.0033898 k( 185) = ( 0.1757354 0.6575980 -0.1757354), wk = 0.0033898 k( 186) = ( 0.1464461 0.6313316 -0.1464461), wk = 0.0033898 k( 187) = ( 0.1171569 0.6050653 -0.1171569), wk = 0.0033898 k( 188) = ( 0.0878677 0.5787990 -0.0878677), wk = 0.0033898 k( 189) = ( 0.0585785 0.5525326 -0.0585785), wk = 0.0033898 k( 190) = ( 0.0292892 0.5262663 -0.0292892), wk = 0.0033898 k( 191) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033898 k( 192) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033898 k( 193) = ( 0.0071429 0.4928571 0.0071429), wk = 0.0033898 k( 194) = ( 0.0142857 0.4857143 0.0142857), wk = 0.0033898 k( 195) = ( 0.0214286 0.4785714 0.0214286), wk = 0.0033898 k( 196) = ( 0.0285714 0.4714286 0.0285714), wk = 0.0033898 k( 197) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0033898 k( 198) = ( 0.0428571 0.4571429 0.0428571), wk = 0.0033898 k( 199) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0033898 k( 200) = ( 0.0571429 0.4428571 0.0571429), wk = 0.0033898 k( 201) = ( 0.0642857 0.4357143 0.0642857), wk = 0.0033898 k( 202) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0033898 k( 203) = ( 0.0785714 0.4214286 0.0785714), wk = 0.0033898 k( 204) = ( 0.0857143 0.4142857 0.0857143), wk = 0.0033898 k( 205) = ( 0.0928571 0.4071429 0.0928571), wk = 0.0033898 k( 206) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0033898 k( 207) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0033898 k( 208) = ( 0.1142857 0.3857143 0.1142857), wk = 0.0033898 k( 209) = ( 0.1214286 0.3785714 0.1214286), wk = 0.0033898 k( 210) = ( 0.1285714 0.3714286 0.1285714), wk = 0.0033898 k( 211) = ( 0.1357143 0.3642857 0.1357143), wk = 0.0033898 k( 212) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0033898 k( 213) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0033898 k( 214) = ( 0.1571429 0.3428571 0.1571429), wk = 0.0033898 k( 215) = ( 0.1642857 0.3357143 0.1642857), wk = 0.0033898 k( 216) = ( 0.1714286 0.3285714 0.1714286), wk = 0.0033898 k( 217) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0033898 k( 218) = ( 0.1857143 0.3142857 0.1857143), wk = 0.0033898 k( 219) = ( 0.1928571 0.3071429 0.1928571), wk = 0.0033898 k( 220) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0033898 k( 221) = ( 0.2071429 0.2928571 0.2071429), wk = 0.0033898 k( 222) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0033898 k( 223) = ( 0.2214286 0.2785714 0.2214286), wk = 0.0033898 k( 224) = ( 0.2285714 0.2714286 0.2285714), wk = 0.0033898 k( 225) = ( 0.2357143 0.2642857 0.2357143), wk = 0.0033898 k( 226) = ( 0.2428571 0.2571429 0.2428571), wk = 0.0033898 k( 227) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033898 k( 228) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033898 k( 229) = ( 0.2777778 0.2777778 0.2191993), wk = 0.0033898 k( 230) = ( 0.3055556 0.3055556 0.1883986), wk = 0.0033898 k( 231) = ( 0.3333333 0.3333333 0.1575980), wk = 0.0033898 k( 232) = ( 0.3611111 0.3611111 0.1267973), wk = 0.0033898 k( 233) = ( 0.3888889 0.3888889 0.0959966), wk = 0.0033898 k( 234) = ( 0.4166667 0.4166667 0.0651959), wk = 0.0033898 k( 235) = ( 0.4444444 0.4444444 0.0343952), wk = 0.0033898 k( 236) = ( 0.4722222 0.4722222 0.0035946), wk = 0.0033898 k( 237) = ( 0.5000000 0.5000000 -0.0272061), wk = 0.0033898 k( 238) = ( 0.5000000 0.5000000 -0.0272061), wk = 0.0033898 k( 239) = ( 0.5000000 0.5000000 -0.0372656), wk = 0.0033898 k( 240) = ( 0.5000000 0.5000000 -0.0473250), wk = 0.0033898 k( 241) = ( 0.5000000 0.5000000 -0.0573844), wk = 0.0033898 k( 242) = ( 0.5000000 0.5000000 -0.0674439), wk = 0.0033898 k( 243) = ( 0.5000000 0.5000000 -0.0775033), wk = 0.0033898 k( 244) = ( 0.5000000 0.5000000 -0.0875628), wk = 0.0033898 k( 245) = ( 0.5000000 0.5000000 -0.0976222), wk = 0.0033898 k( 246) = ( 0.5000000 0.5000000 -0.1076817), wk = 0.0033898 k( 247) = ( 0.5000000 0.5000000 -0.1177411), wk = 0.0033898 k( 248) = ( 0.5000000 0.5000000 -0.1278006), wk = 0.0033898 k( 249) = ( 0.5000000 0.5000000 -0.1378600), wk = 0.0033898 k( 250) = ( 0.5000000 0.5000000 -0.1479194), wk = 0.0033898 k( 251) = ( 0.5000000 0.5000000 -0.1579789), wk = 0.0033898 k( 252) = ( 0.5000000 0.5000000 -0.1680383), wk = 0.0033898 k( 253) = ( 0.5000000 0.5000000 -0.1780978), wk = 0.0033898 k( 254) = ( 0.5000000 0.5000000 -0.1881572), wk = 0.0033898 k( 255) = ( 0.5000000 0.5000000 -0.1982167), wk = 0.0033898 k( 256) = ( 0.5000000 0.5000000 -0.2082761), wk = 0.0033898 k( 257) = ( 0.5000000 0.5000000 -0.2183356), wk = 0.0033898 k( 258) = ( 0.5000000 0.5000000 -0.2283950), wk = 0.0033898 k( 259) = ( 0.5000000 0.5000000 -0.2384544), wk = 0.0033898 k( 260) = ( 0.5000000 0.5000000 -0.2485139), wk = 0.0033898 k( 261) = ( 0.5000000 0.5000000 -0.2585733), wk = 0.0033898 k( 262) = ( 0.5000000 0.5000000 -0.2686328), wk = 0.0033898 k( 263) = ( 0.5000000 0.5000000 -0.2786922), wk = 0.0033898 k( 264) = ( 0.5000000 0.5000000 -0.2887517), wk = 0.0033898 k( 265) = ( 0.5000000 0.5000000 -0.2988111), wk = 0.0033898 k( 266) = ( 0.5000000 0.5000000 -0.3088706), wk = 0.0033898 k( 267) = ( 0.5000000 0.5000000 -0.3189300), wk = 0.0033898 k( 268) = ( 0.5000000 0.5000000 -0.3289894), wk = 0.0033898 k( 269) = ( 0.5000000 0.5000000 -0.3390489), wk = 0.0033898 k( 270) = ( 0.5000000 0.5000000 -0.3491083), wk = 0.0033898 k( 271) = ( 0.5000000 0.5000000 -0.3591678), wk = 0.0033898 k( 272) = ( 0.5000000 0.5000000 -0.3692272), wk = 0.0033898 k( 273) = ( 0.5000000 0.5000000 -0.3792867), wk = 0.0033898 k( 274) = ( 0.5000000 0.5000000 -0.3893461), wk = 0.0033898 k( 275) = ( 0.5000000 0.5000000 -0.3994055), wk = 0.0033898 k( 276) = ( 0.5000000 0.5000000 -0.4094650), wk = 0.0033898 k( 277) = ( 0.5000000 0.5000000 -0.4195244), wk = 0.0033898 k( 278) = ( 0.5000000 0.5000000 -0.4295839), wk = 0.0033898 k( 279) = ( 0.5000000 0.5000000 -0.4396433), wk = 0.0033898 k( 280) = ( 0.5000000 0.5000000 -0.4497028), wk = 0.0033898 k( 281) = ( 0.5000000 0.5000000 -0.4597622), wk = 0.0033898 k( 282) = ( 0.5000000 0.5000000 -0.4698217), wk = 0.0033898 k( 283) = ( 0.5000000 0.5000000 -0.4798811), wk = 0.0033898 k( 284) = ( 0.5000000 0.5000000 -0.4899406), wk = 0.0033898 k( 285) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033898 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 287) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0033898 k( 288) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0033898 k( 289) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0033898 k( 290) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0033898 k( 291) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0033898 k( 292) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0033898 k( 293) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0033898 k( 294) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0033898 k( 295) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033898 Dense grid: 100735 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 62729 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.39 Mb ( 438, 58) NL pseudopotentials 0.55 Mb ( 219, 164) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.02 Mb ( 2798) G-vector shells 0.01 Mb ( 1316) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.55 Mb ( 438, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Ca3SiBr2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 9.3 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 14.6 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 20.0 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 25.4 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 31.2 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.5 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 41.9 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.3 secs Computing kpt #: 9 total cpu time spent up to now is 51.8 secs Computing kpt #: 10 total cpu time spent up to now is 55.8 secs Computing kpt #: 11 total cpu time spent up to now is 59.5 secs Computing kpt #: 12 total cpu time spent up to now is 63.0 secs Computing kpt #: 13 total cpu time spent up to now is 66.7 secs Computing kpt #: 14 total cpu time spent up to now is 70.1 secs Computing kpt #: 15 total cpu time spent up to now is 73.3 secs Computing kpt #: 16 total cpu time spent up to now is 76.4 secs Computing kpt #: 17 total cpu time spent up to now is 79.6 secs Computing kpt #: 18 total cpu time spent up to now is 82.7 secs Computing kpt #: 19 total cpu time spent up to now is 85.9 secs Computing kpt #: 20 total cpu time spent up to now is 89.1 secs Computing kpt #: 21 total cpu time spent up to now is 92.2 secs Computing kpt #: 22 total cpu time spent up to now is 95.7 secs Computing kpt #: 23 total cpu time spent up to now is 99.3 secs Computing kpt #: 24 total cpu time spent up to now is 103.0 secs Computing kpt #: 25 total cpu time spent up to now is 107.2 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.6 secs Computing kpt #: 27 total cpu time spent up to now is 116.3 secs Computing kpt #: 28 total cpu time spent up to now is 119.9 secs Computing kpt #: 29 total cpu time spent up to now is 123.5 secs Computing kpt #: 30 total cpu time spent up to now is 127.2 secs Computing kpt #: 31 total cpu time spent up to now is 130.8 secs Computing kpt #: 32 total cpu time spent up to now is 136.0 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 141.9 secs Computing kpt #: 34 total cpu time spent up to now is 145.9 secs Computing kpt #: 35 total cpu time spent up to now is 149.3 secs Computing kpt #: 36 total cpu time spent up to now is 152.6 secs Computing kpt #: 37 total cpu time spent up to now is 156.0 secs Computing kpt #: 38 total cpu time spent up to now is 159.4 secs Computing kpt #: 39 total cpu time spent up to now is 162.9 secs Computing kpt #: 40 total cpu time spent up to now is 166.8 secs Computing kpt #: 41 total cpu time spent up to now is 171.9 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.3 secs Computing kpt #: 43 total cpu time spent up to now is 182.5 secs Computing kpt #: 44 total cpu time spent up to now is 186.5 secs Computing kpt #: 45 total cpu time spent up to now is 190.4 secs Computing kpt #: 46 total cpu time spent up to now is 193.8 secs Computing kpt #: 47 total cpu time spent up to now is 197.2 secs Computing kpt #: 48 total cpu time spent up to now is 200.6 secs Computing kpt #: 49 total cpu time spent up to now is 204.0 secs Computing kpt #: 50 total cpu time spent up to now is 207.4 secs Computing kpt #: 51 total cpu time spent up to now is 210.5 secs Computing kpt #: 52 total cpu time spent up to now is 213.5 secs Computing kpt #: 53 total cpu time spent up to now is 216.9 secs Computing kpt #: 54 total cpu time spent up to now is 220.0 secs Computing kpt #: 55 total cpu time spent up to now is 223.1 secs Computing kpt #: 56 total cpu time spent up to now is 226.6 secs Computing kpt #: 57 total cpu time spent up to now is 230.0 secs Computing kpt #: 58 total cpu time spent up to now is 233.5 secs Computing kpt #: 59 total cpu time spent up to now is 237.0 secs Computing kpt #: 60 total cpu time spent up to now is 240.5 secs Computing kpt #: 61 total cpu time spent up to now is 244.0 secs Computing kpt #: 62 total cpu time spent up to now is 247.7 secs Computing kpt #: 63 total cpu time spent up to now is 251.3 secs Computing kpt #: 64 total cpu time spent up to now is 254.9 secs Computing kpt #: 65 total cpu time spent up to now is 258.4 secs Computing kpt #: 66 total cpu time spent up to now is 262.1 secs Computing kpt #: 67 total cpu time spent up to now is 265.6 secs Computing kpt #: 68 total cpu time spent up to now is 269.1 secs Computing kpt #: 69 total cpu time spent up to now is 272.6 secs Computing kpt #: 70 total cpu time spent up to now is 276.1 secs Computing kpt #: 71 total cpu time spent up to now is 279.3 secs Computing kpt #: 72 total cpu time spent up to now is 282.8 secs Computing kpt #: 73 total cpu time spent up to now is 286.8 secs Computing kpt #: 74 total cpu time spent up to now is 290.6 secs Computing kpt #: 75 total cpu time spent up to now is 294.7 secs Computing kpt #: 76 total cpu time spent up to now is 299.4 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 305.0 secs Computing kpt #: 78 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.6 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.1 secs Computing kpt #: 80 total cpu time spent up to now is 320.8 secs Computing kpt #: 81 total cpu time spent up to now is 325.0 secs Computing kpt #: 82 total cpu time spent up to now is 329.3 secs Computing kpt #: 83 total cpu time spent up to now is 333.8 secs Computing kpt #: 84 total cpu time spent up to now is 338.0 secs Computing kpt #: 85 total cpu time spent up to now is 342.1 secs Computing kpt #: 86 total cpu time spent up to now is 346.6 secs Computing kpt #: 87 total cpu time spent up to now is 351.4 secs Computing kpt #: 88 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 356.8 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 362.3 secs Computing kpt #: 90 total cpu time spent up to now is 366.8 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 372.1 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 377.4 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 384.7 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 390.1 secs Computing kpt #: 95 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 395.8 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.5 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 407.1 secs Computing kpt #: 98 total cpu time spent up to now is 411.9 secs Computing kpt #: 99 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 417.7 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 423.3 secs Computing kpt #: 101 total cpu time spent up to now is 427.9 secs Computing kpt #: 102 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 433.1 secs Computing kpt #: 103 total cpu time spent up to now is 437.2 secs Computing kpt #: 104 total cpu time spent up to now is 442.7 secs Computing kpt #: 105 total cpu time spent up to now is 446.3 secs Computing kpt #: 106 total cpu time spent up to now is 450.2 secs Computing kpt #: 107 total cpu time spent up to now is 454.3 secs Computing kpt #: 108 total cpu time spent up to now is 458.8 secs Computing kpt #: 109 total cpu time spent up to now is 462.8 secs Computing kpt #: 110 total cpu time spent up to now is 467.7 secs Computing kpt #: 111 total cpu time spent up to now is 472.2 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 477.4 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 482.6 secs Computing kpt #: 114 total cpu time spent up to now is 487.9 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 493.2 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 498.6 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 503.9 secs Computing kpt #: 118 total cpu time spent up to now is 508.4 secs Computing kpt #: 119 total cpu time spent up to now is 512.0 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 517.3 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 522.5 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 527.8 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 533.2 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 538.6 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 543.9 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 549.3 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 554.7 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 559.9 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 565.2 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 570.6 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 575.8 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 581.1 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 586.5 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 591.7 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 597.1 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 602.5 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 607.9 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 613.1 secs Computing kpt #: 139 total cpu time spent up to now is 618.2 secs Computing kpt #: 140 total cpu time spent up to now is 623.2 secs Computing kpt #: 141 total cpu time spent up to now is 627.8 secs Computing kpt #: 142 total cpu time spent up to now is 632.9 secs Computing kpt #: 143 total cpu time spent up to now is 637.9 secs Computing kpt #: 144 total cpu time spent up to now is 643.0 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 648.1 secs Computing kpt #: 146 total cpu time spent up to now is 653.0 secs Computing kpt #: 147 total cpu time spent up to now is 657.9 secs Computing kpt #: 148 total cpu time spent up to now is 663.1 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 668.1 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 673.4 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 678.5 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 683.7 secs Computing kpt #: 153 total cpu time spent up to now is 688.8 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 694.1 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 699.4 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 704.6 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 709.8 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 715.2 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 720.6 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 725.9 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 731.3 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 739.1 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 744.5 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 749.9 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 755.2 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 760.7 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 765.9 secs Computing kpt #: 168 total cpu time spent up to now is 771.2 secs Computing kpt #: 169 total cpu time spent up to now is 775.2 secs Computing kpt #: 170 total cpu time spent up to now is 779.1 secs Computing kpt #: 171 total cpu time spent up to now is 782.7 secs Computing kpt #: 172 total cpu time spent up to now is 786.7 secs Computing kpt #: 173 total cpu time spent up to now is 790.3 secs Computing kpt #: 174 total cpu time spent up to now is 794.3 secs Computing kpt #: 175 total cpu time spent up to now is 798.3 secs Computing kpt #: 176 total cpu time spent up to now is 801.9 secs Computing kpt #: 177 total cpu time spent up to now is 805.5 secs Computing kpt #: 178 total cpu time spent up to now is 809.1 secs Computing kpt #: 179 total cpu time spent up to now is 813.7 secs Computing kpt #: 180 total cpu time spent up to now is 817.7 secs Computing kpt #: 181 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 823.0 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 828.3 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 833.6 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 838.9 secs Computing kpt #: 185 total cpu time spent up to now is 844.0 secs Computing kpt #: 186 total cpu time spent up to now is 849.1 secs Computing kpt #: 187 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 854.4 secs Computing kpt #: 188 total cpu time spent up to now is 859.5 secs Computing kpt #: 189 total cpu time spent up to now is 863.6 secs Computing kpt #: 190 total cpu time spent up to now is 867.2 secs Computing kpt #: 191 total cpu time spent up to now is 871.3 secs Computing kpt #: 192 total cpu time spent up to now is 875.4 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 880.9 secs Computing kpt #: 194 total cpu time spent up to now is 885.6 secs Computing kpt #: 195 total cpu time spent up to now is 890.3 secs Computing kpt #: 196 total cpu time spent up to now is 894.5 secs Computing kpt #: 197 total cpu time spent up to now is 899.0 secs Computing kpt #: 198 total cpu time spent up to now is 902.6 secs Computing kpt #: 199 total cpu time spent up to now is 906.7 secs Computing kpt #: 200 total cpu time spent up to now is 910.4 secs Computing kpt #: 201 total cpu time spent up to now is 914.4 secs Computing kpt #: 202 total cpu time spent up to now is 918.6 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 924.0 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 930.7 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 936.2 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 941.8 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 947.2 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 952.7 secs Computing kpt #: 209 total cpu time spent up to now is 957.4 secs Computing kpt #: 210 total cpu time spent up to now is 962.1 secs Computing kpt #: 211 total cpu time spent up to now is 966.3 secs Computing kpt #: 212 total cpu time spent up to now is 971.5 secs Computing kpt #: 213 total cpu time spent up to now is 975.6 secs Computing kpt #: 214 total cpu time spent up to now is 979.3 secs Computing kpt #: 215 total cpu time spent up to now is 984.3 secs Computing kpt #: 216 total cpu time spent up to now is 988.6 secs Computing kpt #: 217 total cpu time spent up to now is 992.9 secs Computing kpt #: 218 total cpu time spent up to now is 997.1 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1002.5 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1008.0 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1013.5 secs Computing kpt #: 222 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1019.0 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1024.4 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1029.9 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1035.3 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1041.3 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1046.7 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1052.2 secs Computing kpt #: 229 total cpu time spent up to now is 1056.2 secs Computing kpt #: 230 total cpu time spent up to now is 1059.8 secs Computing kpt #: 231 total cpu time spent up to now is 1063.2 secs Computing kpt #: 232 total cpu time spent up to now is 1066.4 secs Computing kpt #: 233 total cpu time spent up to now is 1069.5 secs Computing kpt #: 234 total cpu time spent up to now is 1072.7 secs Computing kpt #: 235 total cpu time spent up to now is 1075.8 secs Computing kpt #: 236 total cpu time spent up to now is 1078.9 secs Computing kpt #: 237 total cpu time spent up to now is 1082.0 secs Computing kpt #: 238 total cpu time spent up to now is 1085.1 secs Computing kpt #: 239 total cpu time spent up to now is 1088.2 secs Computing kpt #: 240 total cpu time spent up to now is 1091.3 secs Computing kpt #: 241 total cpu time spent up to now is 1094.5 secs Computing kpt #: 242 total cpu time spent up to now is 1097.6 secs Computing kpt #: 243 total cpu time spent up to now is 1100.7 secs Computing kpt #: 244 total cpu time spent up to now is 1103.9 secs Computing kpt #: 245 total cpu time spent up to now is 1107.0 secs Computing kpt #: 246 total cpu time spent up to now is 1110.2 secs Computing kpt #: 247 total cpu time spent up to now is 1113.6 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1119.1 secs Computing kpt #: 249 total cpu time spent up to now is 1122.7 secs Computing kpt #: 250 total cpu time spent up to now is 1126.3 secs Computing kpt #: 251 total cpu time spent up to now is 1129.9 secs Computing kpt #: 252 total cpu time spent up to now is 1133.1 secs Computing kpt #: 253 total cpu time spent up to now is 1136.3 secs Computing kpt #: 254 total cpu time spent up to now is 1139.5 secs Computing kpt #: 255 total cpu time spent up to now is 1142.7 secs Computing kpt #: 256 total cpu time spent up to now is 1145.8 secs Computing kpt #: 257 total cpu time spent up to now is 1149.0 secs Computing kpt #: 258 total cpu time spent up to now is 1152.1 secs Computing kpt #: 259 total cpu time spent up to now is 1155.3 secs Computing kpt #: 260 total cpu time spent up to now is 1160.3 secs Computing kpt #: 261 total cpu time spent up to now is 1163.9 secs Computing kpt #: 262 total cpu time spent up to now is 1167.9 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1173.1 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1178.6 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1184.0 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1189.4 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1194.8 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1200.1 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1205.6 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1211.0 secs Computing kpt #: 271 total cpu time spent up to now is 1215.8 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1221.1 secs Computing kpt #: 273 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1226.2 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1231.4 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1236.8 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1242.1 secs Computing kpt #: 277 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1247.4 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1252.6 secs Computing kpt #: 279 total cpu time spent up to now is 1257.6 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1262.7 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1267.9 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1273.0 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1278.1 secs Computing kpt #: 284 total cpu time spent up to now is 1283.3 secs Computing kpt #: 285 total cpu time spent up to now is 1287.8 secs Computing kpt #: 286 total cpu time spent up to now is 1290.9 secs Computing kpt #: 287 total cpu time spent up to now is 1294.0 secs Computing kpt #: 288 total cpu time spent up to now is 1297.1 secs Computing kpt #: 289 total cpu time spent up to now is 1300.5 secs Computing kpt #: 290 total cpu time spent up to now is 1303.7 secs Computing kpt #: 291 total cpu time spent up to now is 1307.1 secs Computing kpt #: 292 total cpu time spent up to now is 1310.3 secs Computing kpt #: 293 total cpu time spent up to now is 1313.9 secs Computing kpt #: 294 total cpu time spent up to now is 1317.6 secs Computing kpt #: 295 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1322.9 secs ethr = 2.08E-08, avg # of iterations = 83.7 total cpu time spent up to now is 1322.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7865 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5844 -17.5844 -17.5810 -17.5810 -17.4913 -17.4913 -17.4803 -17.4803 -16.3457 -16.3457 -15.9665 -15.9665 -15.8386 -15.8386 -11.3990 -11.3990 -11.2845 -11.2845 -0.5731 -0.5731 0.0437 0.0437 0.4687 0.4687 0.4971 0.4971 0.7233 0.7233 0.9032 0.9032 1.0367 1.0367 4.9837 4.9837 5.5072 5.5072 6.0186 6.0186 6.4811 6.4811 6.8899 6.8899 6.9163 6.9163 7.1111 7.1111 7.5728 7.5748 k = 0.0000 0.0000 0.0319 ( 7873 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4913 -17.4913 -17.4803 -17.4803 -16.3457 -16.3457 -15.9665 -15.9665 -15.8387 -15.8387 -11.3988 -11.3988 -11.2844 -11.2844 -0.5722 -0.5722 0.0434 0.0434 0.4617 0.4617 0.5019 0.5019 0.7218 0.7218 0.9033 0.9033 1.0353 1.0353 4.9842 4.9842 5.5105 5.5105 6.0214 6.0214 6.4809 6.4809 6.8862 6.8862 6.9126 6.9126 7.1133 7.1133 7.5755 7.5792 k = 0.0000 0.0000 0.0638 ( 7897 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9289 -17.9289 -17.9240 -17.9240 -17.5846 -17.5846 -17.5811 -17.5811 -17.4913 -17.4913 -17.4804 -17.4804 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3981 -11.3981 -11.2840 -11.2840 -0.5694 -0.5694 0.0422 0.0422 0.4467 0.4467 0.5104 0.5104 0.7174 0.7174 0.9035 0.9035 1.0310 1.0310 4.9857 4.9857 5.5205 5.5205 6.0300 6.0300 6.4800 6.4800 6.8740 6.8740 6.9034 6.9034 7.1201 7.1201 7.5719 7.5806 k = 0.0000 0.0000 0.0958 ( 7901 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9290 -17.9290 -17.9241 -17.9241 -17.5847 -17.5847 -17.5813 -17.5813 -17.4913 -17.4913 -17.4804 -17.4804 -16.3457 -16.3457 -15.9666 -15.9666 -15.8388 -15.8388 -11.3970 -11.3970 -11.2834 -11.2834 -0.5648 -0.5648 0.0402 0.0402 0.4284 0.4284 0.5181 0.5181 0.7103 0.7103 0.9036 0.9036 1.0241 1.0241 4.9882 4.9882 5.5367 5.5367 6.0443 6.0443 6.4776 6.4776 6.8507 6.8507 6.8932 6.8932 7.1313 7.1313 7.5647 7.5883 k = 0.0000 0.0000 0.1277 ( 7893 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9291 -17.9291 -17.9242 -17.9242 -17.5848 -17.5848 -17.5815 -17.5815 -17.4913 -17.4913 -17.4805 -17.4805 -16.3457 -16.3457 -15.9667 -15.9667 -15.8389 -15.8389 -11.3954 -11.3954 -11.2825 -11.2825 -0.5583 -0.5583 0.0374 0.0374 0.4078 0.4078 0.5239 0.5239 0.7005 0.7005 0.9036 0.9036 1.0149 1.0149 4.9917 4.9917 5.5588 5.5588 6.0642 6.0642 6.4725 6.4725 6.8167 6.8167 6.8849 6.8849 7.1467 7.1467 7.5489 7.5523 k = 0.0000 0.0000 0.1596 ( 7893 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9292 -17.9292 -17.9244 -17.9244 -17.5850 -17.5850 -17.5817 -17.5817 -17.4913 -17.4913 -17.4805 -17.4805 -16.3458 -16.3458 -15.9668 -15.9668 -15.8391 -15.8391 -11.3934 -11.3934 -11.2814 -11.2814 -0.5500 -0.5500 0.0336 0.0336 0.3854 0.3854 0.5278 0.5278 0.6885 0.6885 0.9030 0.9030 1.0037 1.0037 4.9961 4.9961 5.5860 5.5860 6.0897 6.0897 6.4634 6.4634 6.7739 6.7739 6.8803 6.8803 7.1662 7.1662 7.5318 7.5318 k = 0.0000 0.0000 0.1915 ( 7895 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9293 -17.9293 -17.9246 -17.9246 -17.5853 -17.5853 -17.5820 -17.5820 -17.4912 -17.4912 -17.4806 -17.4806 -16.3458 -16.3458 -15.9669 -15.9669 -15.8393 -15.8393 -11.3910 -11.3910 -11.2801 -11.2801 -0.5400 -0.5400 0.0289 0.0289 0.3616 0.3616 0.5295 0.5295 0.6744 0.6744 0.9015 0.9015 0.9912 0.9912 5.0014 5.0014 5.6174 5.6174 6.1205 6.1205 6.4486 6.4486 6.7247 6.7247 6.8813 6.8813 7.1893 7.1893 7.5129 7.5129 k = 0.0000 0.0000 0.2234 ( 7901 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0601 -35.0601 -17.9295 -17.9295 -17.9248 -17.9248 -17.5856 -17.5856 -17.5823 -17.5823 -17.4912 -17.4912 -17.4807 -17.4807 -16.3458 -16.3458 -15.9670 -15.9670 -15.8395 -15.8395 -11.3882 -11.3882 -11.2786 -11.2786 -0.5282 -0.5282 0.0231 0.0231 0.3366 0.3366 0.5291 0.5291 0.6586 0.6586 0.8986 0.8986 0.9780 0.9780 5.0076 5.0076 5.6519 5.6519 6.1566 6.1566 6.4275 6.4275 6.6709 6.6709 6.8894 6.8894 7.2159 7.2159 7.4909 7.4909 k = 0.0000 0.0000 0.2554 ( 7883 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0600 -35.0600 -17.9297 -17.9297 -17.9251 -17.9251 -17.5859 -17.5859 -17.5827 -17.5827 -17.4911 -17.4911 -17.4808 -17.4808 -16.3459 -16.3459 -15.9672 -15.9672 -15.8397 -15.8397 -11.3851 -11.3851 -11.2769 -11.2769 -0.5148 -0.5148 0.0162 0.0162 0.3106 0.3106 0.5266 0.5266 0.6416 0.6416 0.8938 0.8938 0.9649 0.9649 5.0147 5.0147 5.6880 5.6880 6.1978 6.1978 6.3999 6.3999 6.6150 6.6150 6.9055 6.9055 7.2455 7.2455 7.4661 7.4661 k = 0.0000 0.0000 0.2873 ( 7879 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0600 -35.0600 -17.9300 -17.9300 -17.9254 -17.9254 -17.5862 -17.5862 -17.5831 -17.5831 -17.4911 -17.4911 -17.4809 -17.4809 -16.3459 -16.3459 -15.9673 -15.9673 -15.8400 -15.8400 -11.3816 -11.3816 -11.2751 -11.2751 -0.4997 -0.4997 0.0080 0.0080 0.2839 0.2839 0.5219 0.5219 0.6238 0.6238 0.8864 0.8864 0.9530 0.9530 5.0226 5.0226 5.7239 5.7239 6.2438 6.2438 6.3665 6.3665 6.5594 6.5594 6.9294 6.9294 7.2775 7.2775 7.4387 7.4387 k = 0.0000 0.0000 0.3192 ( 7871 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0600 -35.0600 -17.9302 -17.9302 -17.9257 -17.9257 -17.5866 -17.5866 -17.5836 -17.5836 -17.4910 -17.4910 -17.4810 -17.4810 -16.3460 -16.3460 -15.9675 -15.9675 -15.8403 -15.8403 -11.3778 -11.3778 -11.2731 -11.2731 -0.4831 -0.4831 -0.0014 -0.0014 0.2569 0.2569 0.5148 0.5148 0.6060 0.6060 0.8759 0.8759 0.9429 0.9429 5.0313 5.0313 5.7569 5.7569 6.2946 6.2946 6.3284 6.3284 6.5069 6.5069 6.9606 6.9606 7.3117 7.3117 7.4089 7.4089 k = 0.0000 0.0000 0.3511 ( 7877 PWs) bands (ev): -36.6735 -36.6735 -36.6730 -36.6730 -35.0600 -35.0600 -17.9305 -17.9305 -17.9261 -17.9261 -17.5871 -17.5871 -17.5841 -17.5841 -17.4909 -17.4909 -17.4812 -17.4812 -16.3460 -16.3460 -15.9677 -15.9677 -15.8406 -15.8406 -11.3737 -11.3737 -11.2710 -11.2710 -0.4650 -0.4650 -0.0122 -0.0122 0.2296 0.2296 0.5050 0.5050 0.5889 0.5889 0.8626 0.8626 0.9346 0.9346 5.0407 5.0407 5.7840 5.7840 6.2866 6.2866 6.3497 6.3497 6.4612 6.4612 6.9983 6.9983 7.3473 7.3473 7.3770 7.3770 k = 0.0000 0.0000 0.3830 ( 7879 PWs) bands (ev): -36.6735 -36.6735 -36.6730 -36.6730 -35.0599 -35.0599 -17.9308 -17.9308 -17.9265 -17.9265 -17.5875 -17.5875 -17.5846 -17.5846 -17.4909 -17.4909 -17.4813 -17.4813 -16.3461 -16.3461 -15.9679 -15.9679 -15.8410 -15.8410 -11.3694 -11.3694 -11.2689 -11.2689 -0.4455 -0.4455 -0.0243 -0.0243 0.2025 0.2025 0.4922 0.4922 0.5734 0.5734 0.8471 0.8471 0.9276 0.9276 5.0509 5.0509 5.8014 5.8014 6.2423 6.2423 6.4067 6.4067 6.4286 6.4286 7.0419 7.0419 7.3429 7.3429 7.3841 7.3841 k = 0.0000 0.0000 0.4150 ( 7883 PWs) bands (ev): -36.6735 -36.6735 -36.6729 -36.6729 -35.0599 -35.0599 -17.9311 -17.9311 -17.9269 -17.9269 -17.5880 -17.5880 -17.5852 -17.5852 -17.4908 -17.4908 -17.4815 -17.4815 -16.3462 -16.3462 -15.9681 -15.9681 -15.8414 -15.8414 -11.3648 -11.3648 -11.2666 -11.2666 -0.4247 -0.4247 -0.0377 -0.0377 0.1758 0.1758 0.4763 0.4763 0.5599 0.5599 0.8302 0.8302 0.9213 0.9213 5.0619 5.0619 5.8053 5.8053 6.1962 6.1962 6.4036 6.4036 6.4744 6.4744 7.0905 7.0905 7.3073 7.3073 7.4212 7.4212 k = 0.0000 0.0000 0.4469 ( 7879 PWs) bands (ev): -36.6734 -36.6734 -36.6729 -36.6729 -35.0599 -35.0599 -17.9314 -17.9314 -17.9273 -17.9273 -17.5885 -17.5885 -17.5857 -17.5857 -17.4907 -17.4907 -17.4816 -17.4816 -16.3462 -16.3462 -15.9684 -15.9684 -15.8418 -15.8418 -11.3601 -11.3601 -11.2644 -11.2644 -0.4028 -0.4028 -0.0525 -0.0525 0.1499 0.1499 0.4577 0.4577 0.5486 0.5486 0.8126 0.8126 0.9153 0.9153 5.0735 5.0735 5.7938 5.7938 6.1491 6.1491 6.3997 6.3997 6.5415 6.5415 7.1436 7.1436 7.2702 7.2702 7.4585 7.4585 k = 0.0000 0.0000 0.4788 ( 7863 PWs) bands (ev): -36.6734 -36.6734 -36.6729 -36.6729 -35.0599 -35.0599 -17.9317 -17.9317 -17.9278 -17.9278 -17.5890 -17.5890 -17.5863 -17.5863 -17.4906 -17.4906 -17.4818 -17.4818 -16.3463 -16.3463 -15.9686 -15.9686 -15.8422 -15.8422 -11.3552 -11.3552 -11.2621 -11.2621 -0.3798 -0.3798 -0.0684 -0.0684 0.1251 0.1251 0.4370 0.4370 0.5391 0.5391 0.7947 0.7947 0.9093 0.9093 5.0859 5.0859 5.7677 5.7677 6.1015 6.1015 6.4114 6.4114 6.6123 6.6123 7.2006 7.2006 7.2320 7.2320 7.4953 7.4953 k = 0.0000 0.0000 0.5107 ( 7863 PWs) bands (ev): -36.6733 -36.6733 -36.6728 -36.6728 -35.0598 -35.0598 -17.9321 -17.9321 -17.9282 -17.9282 -17.5895 -17.5895 -17.5869 -17.5869 -17.4905 -17.4905 -17.4820 -17.4820 -16.3464 -16.3464 -15.9688 -15.9688 -15.8426 -15.8426 -11.3503 -11.3503 -11.2598 -11.2598 -0.3560 -0.3560 -0.0855 -0.0855 0.1017 0.1017 0.4150 0.4150 0.5309 0.5309 0.7768 0.7768 0.9032 0.9032 5.0990 5.0990 5.7299 5.7299 6.0537 6.0537 6.4360 6.4360 6.6864 6.6864 7.1925 7.1925 7.2614 7.2614 7.5315 7.5315 k = 0.0000 0.0000 0.5426 ( 7867 PWs) bands (ev): -36.6733 -36.6733 -36.6728 -36.6728 -35.0598 -35.0598 -17.9324 -17.9324 -17.9287 -17.9287 -17.5900 -17.5900 -17.5876 -17.5876 -17.4904 -17.4904 -17.4822 -17.4822 -16.3465 -16.3465 -15.9691 -15.9691 -15.8431 -15.8431 -11.3452 -11.3452 -11.2576 -11.2576 -0.3316 -0.3316 -0.1035 -0.1035 0.0801 0.0801 0.3922 0.3922 0.5236 0.5236 0.7591 0.7591 0.8967 0.8967 5.1128 5.1128 5.6843 5.6843 6.0062 6.0062 6.4698 6.4698 6.7635 6.7635 7.1524 7.1524 7.3250 7.3250 7.5668 7.5668 k = 0.0000 0.0000 0.5746 ( 7879 PWs) bands (ev): -36.6732 -36.6732 -36.6728 -36.6728 -35.0598 -35.0598 -17.9327 -17.9327 -17.9292 -17.9292 -17.5906 -17.5906 -17.5882 -17.5882 -17.4903 -17.4903 -17.4823 -17.4823 -16.3466 -16.3466 -15.9694 -15.9694 -15.8436 -15.8436 -11.3401 -11.3401 -11.2555 -11.2555 -0.3069 -0.3069 -0.1223 -0.1223 0.0607 0.0607 0.3691 0.3691 0.5170 0.5170 0.7418 0.7418 0.8900 0.8900 5.1272 5.1272 5.6342 5.6342 5.9591 5.9591 6.5096 6.5096 6.8431 6.8431 7.1118 7.1118 7.3913 7.3913 7.6010 7.6010 k = 0.0000 0.0000 0.6065 ( 7883 PWs) bands (ev): -36.6732 -36.6732 -36.6728 -36.6728 -35.0597 -35.0597 -17.9331 -17.9331 -17.9297 -17.9297 -17.5911 -17.5911 -17.5889 -17.5889 -17.4902 -17.4902 -17.4825 -17.4825 -16.3467 -16.3467 -15.9697 -15.9697 -15.8440 -15.8440 -11.3350 -11.3350 -11.2534 -11.2534 -0.2821 -0.2821 -0.1416 -0.1416 0.0439 0.0439 0.3461 0.3461 0.5108 0.5108 0.7249 0.7249 0.8829 0.8829 5.1424 5.1424 5.5819 5.5819 5.9127 5.9127 6.5531 6.5531 6.9250 6.9250 7.0710 7.0710 7.4598 7.4598 7.6340 7.6340 k = 0.0000 0.0000 0.6384 ( 7871 PWs) bands (ev): -36.6731 -36.6731 -36.6727 -36.6727 -35.0597 -35.0597 -17.9334 -17.9334 -17.9302 -17.9302 -17.5916 -17.5916 -17.5895 -17.5895 -17.4901 -17.4901 -17.4827 -17.4827 -16.3467 -16.3467 -15.9700 -15.9700 -15.8445 -15.8445 -11.3300 -11.3300 -11.2515 -11.2515 -0.2578 -0.2578 -0.1612 -0.1612 0.0302 0.0302 0.3233 0.3233 0.5048 0.5048 0.7087 0.7087 0.8756 0.8756 5.1582 5.1582 5.5293 5.5293 5.8673 5.8673 6.5984 6.5984 7.0061 7.0061 7.0328 7.0328 7.5301 7.5301 7.6659 7.6659 k = 0.0000 0.0000 0.6703 ( 7863 PWs) bands (ev): -36.6731 -36.6731 -36.6727 -36.6727 -35.0596 -35.0596 -17.9338 -17.9338 -17.9306 -17.9306 -17.5922 -17.5922 -17.5901 -17.5901 -17.4899 -17.4899 -17.4829 -17.4829 -16.3468 -16.3468 -15.9702 -15.9702 -15.8450 -15.8450 -11.3249 -11.3249 -11.2497 -11.2497 -0.2346 -0.2346 -0.1807 -0.1807 0.0202 0.0202 0.3012 0.3012 0.4988 0.4988 0.6931 0.6931 0.8679 0.8679 5.1748 5.1748 5.4776 5.4776 5.8228 5.8228 6.6446 6.6446 6.9873 6.9873 7.0962 7.0962 7.6019 7.6019 7.6966 7.6966 k = 0.0000 0.0000 0.7022 ( 7859 PWs) bands (ev): -36.6730 -36.6730 -36.6727 -36.6727 -35.0596 -35.0596 -17.9341 -17.9341 -17.9311 -17.9311 -17.5927 -17.5927 -17.5907 -17.5907 -17.4898 -17.4898 -17.4831 -17.4831 -16.3469 -16.3469 -15.9705 -15.9705 -15.8455 -15.8455 -11.3200 -11.3200 -11.2481 -11.2481 -0.2133 -0.2133 -0.1998 -0.1998 0.0144 0.0144 0.2797 0.2797 0.4928 0.4928 0.6783 0.6783 0.8601 0.8601 5.1919 5.1919 5.4276 5.4276 5.7795 5.7795 6.6906 6.6906 6.9467 6.9467 7.1830 7.1830 7.6747 7.6747 7.7261 7.7261 k = 0.0000 0.0000 0.7342 ( 7853 PWs) bands (ev): -36.6730 -36.6730 -36.6726 -36.6726 -35.0596 -35.0596 -17.9344 -17.9344 -17.9316 -17.9316 -17.5932 -17.5932 -17.5914 -17.5914 -17.4896 -17.4896 -17.4833 -17.4833 -16.3470 -16.3470 -15.9708 -15.9708 -15.8460 -15.8460 -11.3152 -11.3152 -11.2466 -11.2466 -0.2185 -0.2185 -0.1944 -0.1944 0.0135 0.0135 0.2592 0.2592 0.4865 0.4865 0.6642 0.6642 0.8520 0.8520 5.2097 5.2097 5.3799 5.3799 5.7374 5.7374 6.7359 6.7359 6.9061 6.9061 7.2710 7.2710 7.7470 7.7470 7.7553 7.7553 k = 0.0000 0.0000 0.7661 ( 7849 PWs) bands (ev): -36.6729 -36.6729 -36.6726 -36.6726 -35.0595 -35.0595 -17.9347 -17.9347 -17.9321 -17.9321 -17.5937 -17.5937 -17.5920 -17.5920 -17.4895 -17.4895 -17.4834 -17.4834 -16.3471 -16.3471 -15.9711 -15.9711 -15.8465 -15.8465 -11.3106 -11.3106 -11.2453 -11.2453 -0.2361 -0.2361 -0.1794 -0.1794 0.0182 0.0182 0.2398 0.2398 0.4799 0.4799 0.6510 0.6510 0.8437 0.8437 5.2281 5.2281 5.3350 5.3350 5.6966 5.6966 6.7800 6.7800 6.8661 6.8661 7.3597 7.3597 7.7799 7.7799 7.8224 7.8224 k = 0.0000 0.0000 0.7980 ( 7840 PWs) bands (ev): -36.6729 -36.6729 -36.6726 -36.6726 -35.0595 -35.0595 -17.9350 -17.9350 -17.9325 -17.9325 -17.5942 -17.5942 -17.5925 -17.5925 -17.4894 -17.4894 -17.4836 -17.4836 -16.3472 -16.3472 -15.9714 -15.9714 -15.8470 -15.8470 -11.3061 -11.3061 -11.2442 -11.2442 -0.2526 -0.2526 -0.1683 -0.1683 0.0285 0.0285 0.2217 0.2217 0.4730 0.4730 0.6385 0.6385 0.8353 0.8353 5.2470 5.2470 5.2932 5.2932 5.6572 5.6572 6.8198 6.8198 6.8294 6.8294 7.4487 7.4487 7.8038 7.8038 7.8959 7.8960 k = 0.0000 0.0000 0.8299 ( 7844 PWs) bands (ev): -36.6728 -36.6728 -36.6725 -36.6725 -35.0594 -35.0594 -17.9353 -17.9353 -17.9329 -17.9329 -17.5946 -17.5946 -17.5931 -17.5931 -17.4892 -17.4892 -17.4838 -17.4838 -16.3473 -16.3473 -15.9717 -15.9717 -15.8475 -15.8475 -11.3018 -11.3018 -11.2433 -11.2433 -0.2677 -0.2677 -0.1610 -0.1610 0.0439 0.0439 0.2051 0.2051 0.4657 0.4657 0.6267 0.6267 0.8267 0.8267 5.2539 5.2539 5.2673 5.2673 5.6192 5.6192 6.7871 6.7871 6.8639 6.8639 7.5375 7.5375 7.8239 7.8239 7.9606 7.9607 k = 0.0000 0.0000 0.8619 ( 7852 PWs) bands (ev): -36.6728 -36.6728 -36.6725 -36.6725 -35.0594 -35.0594 -17.9356 -17.9356 -17.9334 -17.9334 -17.5951 -17.5951 -17.5937 -17.5937 -17.4891 -17.4891 -17.4840 -17.4840 -16.3474 -16.3474 -15.9720 -15.9720 -15.8480 -15.8480 -11.2977 -11.2977 -11.2425 -11.2425 -0.2812 -0.2812 -0.1569 -0.1569 0.0634 0.0634 0.1904 0.1904 0.4582 0.4582 0.6156 0.6156 0.8181 0.8181 5.2190 5.2190 5.2868 5.2868 5.5827 5.5827 6.7492 6.7492 6.9022 6.9022 7.6258 7.6258 7.8375 7.8375 7.9176 7.9176 k = 0.0000 0.0000 0.8938 ( 7850 PWs) bands (ev): -36.6727 -36.6727 -36.6725 -36.6725 -35.0594 -35.0594 -17.9359 -17.9359 -17.9338 -17.9338 -17.5955 -17.5955 -17.5942 -17.5942 -17.4889 -17.4889 -17.4842 -17.4842 -16.3475 -16.3475 -15.9723 -15.9723 -15.8485 -15.8485 -11.2938 -11.2938 -11.2420 -11.2420 -0.2931 -0.2931 -0.1551 -0.1551 0.0857 0.0857 0.1776 0.1776 0.4505 0.4505 0.6051 0.6051 0.8095 0.8095 5.1871 5.1871 5.3071 5.3071 5.5477 5.5477 6.7122 6.7122 6.9382 6.9382 7.7128 7.7128 7.8405 7.8405 7.8751 7.8751 k = 0.0000 0.0000 0.9257 ( 7830 PWs) bands (ev): -36.6727 -36.6727 -36.6724 -36.6724 -35.0593 -35.0593 -17.9361 -17.9361 -17.9342 -17.9342 -17.5959 -17.5959 -17.5947 -17.5947 -17.4888 -17.4888 -17.4844 -17.4844 -16.3476 -16.3476 -15.9725 -15.9725 -15.8490 -15.8490 -11.2901 -11.2901 -11.2417 -11.2417 -0.3033 -0.3033 -0.1551 -0.1551 0.1096 0.1096 0.1672 0.1672 0.4427 0.4427 0.5951 0.5951 0.8008 0.8008 5.1585 5.1585 5.3278 5.3278 5.5142 5.5142 6.6762 6.6762 6.9713 6.9713 7.7952 7.7952 7.8288 7.8288 7.8372 7.8372 k = 0.0000 0.0000 0.9576 ( 7832 PWs) bands (ev): -36.6726 -36.6726 -36.6724 -36.6724 -35.0593 -35.0593 -17.9363 -17.9363 -17.9346 -17.9346 -17.5963 -17.5963 -17.5952 -17.5952 -17.4886 -17.4886 -17.4845 -17.4845 -16.3477 -16.3477 -15.9728 -15.9728 -15.8495 -15.8495 -11.2867 -11.2867 -11.2415 -11.2415 -0.3116 -0.3116 -0.1564 -0.1564 0.1337 0.1337 0.1599 0.1599 0.4350 0.4350 0.5856 0.5856 0.7920 0.7920 5.1331 5.1331 5.3487 5.3487 5.4824 5.4824 6.6414 6.6414 7.0014 7.0014 7.7949 7.7949 7.7987 7.7987 7.8870 7.8870 k = 0.0000 0.0000 0.9895 ( 7836 PWs) bands (ev): -36.6726 -36.6726 -36.6724 -36.6724 -35.0592 -35.0592 -17.9366 -17.9366 -17.9349 -17.9349 -17.5966 -17.5966 -17.5957 -17.5957 -17.4885 -17.4885 -17.4847 -17.4847 -16.3478 -16.3478 -15.9731 -15.9731 -15.8499 -15.8499 -11.2835 -11.2835 -11.2415 -11.2415 -0.3182 -0.3182 -0.1588 -0.1588 0.1490 0.1490 0.1642 0.1642 0.4275 0.4275 0.5764 0.5764 0.7833 0.7833 5.1108 5.1108 5.3695 5.3695 5.4522 5.4522 6.6078 6.6078 7.0284 7.0284 7.7610 7.7610 7.7623 7.7623 7.9681 7.9681 k = 0.0000 0.0000 1.0215 ( 7844 PWs) bands (ev): -36.6725 -36.6725 -36.6723 -36.6723 -35.0592 -35.0592 -17.9368 -17.9368 -17.9353 -17.9353 -17.5970 -17.5970 -17.5961 -17.5961 -17.4883 -17.4883 -17.4849 -17.4849 -16.3479 -16.3479 -15.9733 -15.9733 -15.8504 -15.8504 -11.2806 -11.2806 -11.2417 -11.2417 -0.3229 -0.3229 -0.1622 -0.1622 0.1483 0.1483 0.1864 0.1864 0.4205 0.4205 0.5676 0.5676 0.7747 0.7747 5.0914 5.0914 5.3895 5.3895 5.4246 5.4246 6.5756 6.5756 7.0521 7.0521 7.7170 7.7170 7.7338 7.7338 8.0455 8.0463 k = 0.0000 0.0000 1.0534 ( 7840 PWs) bands (ev): -36.6725 -36.6725 -36.6723 -36.6723 -35.0592 -35.0592 -17.9370 -17.9370 -17.9356 -17.9356 -17.5973 -17.5973 -17.5965 -17.5965 -17.4882 -17.4882 -17.4850 -17.4850 -16.3479 -16.3479 -15.9736 -15.9736 -15.8508 -15.8508 -11.2779 -11.2779 -11.2420 -11.2420 -0.3259 -0.3259 -0.1665 -0.1665 0.1483 0.1483 0.2096 0.2096 0.4142 0.4142 0.5593 0.5593 0.7660 0.7660 5.0748 5.0748 5.3918 5.3918 5.4160 5.4160 6.5447 6.5447 7.0727 7.0727 7.6696 7.6696 7.7102 7.7102 8.0782 8.0783 k = 0.0000 0.0000 1.0853 ( 7836 PWs) bands (ev): -36.6724 -36.6724 -36.6723 -36.6723 -35.0591 -35.0591 -17.9371 -17.9371 -17.9359 -17.9359 -17.5976 -17.5976 -17.5969 -17.5969 -17.4880 -17.4880 -17.4852 -17.4852 -16.3480 -16.3480 -15.9738 -15.9738 -15.8512 -15.8512 -11.2754 -11.2754 -11.2425 -11.2425 -0.3272 -0.3272 -0.1715 -0.1715 0.1505 0.1505 0.2314 0.2314 0.4087 0.4087 0.5516 0.5516 0.7574 0.7574 5.0606 5.0606 5.3683 5.3683 5.4346 5.4346 6.5154 6.5154 7.0908 7.0908 7.6206 7.6206 7.6915 7.6915 8.0993 8.0994 k = 0.0000 0.0000 1.1172 ( 7836 PWs) bands (ev): -36.6724 -36.6724 -36.6722 -36.6722 -35.0591 -35.0591 -17.9373 -17.9373 -17.9362 -17.9362 -17.5978 -17.5978 -17.5972 -17.5972 -17.4879 -17.4879 -17.4853 -17.4853 -16.3481 -16.3481 -15.9740 -15.9740 -15.8516 -15.8516 -11.2732 -11.2732 -11.2431 -11.2431 -0.3269 -0.3269 -0.1771 -0.1771 0.1551 0.1551 0.2511 0.2511 0.4041 0.4041 0.5448 0.5448 0.7489 0.7489 5.0487 5.0487 5.3445 5.3445 5.4547 5.4547 6.4875 6.4875 7.1069 7.1069 7.5711 7.5711 7.6773 7.6773 8.1203 8.1203 k = 0.0000 0.0000 1.1491 ( 7822 PWs) bands (ev): -36.6723 -36.6723 -36.6722 -36.6722 -35.0591 -35.0591 -17.9374 -17.9374 -17.9365 -17.9365 -17.5981 -17.5981 -17.5976 -17.5976 -17.4878 -17.4878 -17.4854 -17.4854 -16.3482 -16.3482 -15.9742 -15.9742 -15.8520 -15.8520 -11.2712 -11.2712 -11.2438 -11.2438 -0.3252 -0.3252 -0.1833 -0.1833 0.1617 0.1617 0.2680 0.2680 0.4005 0.4005 0.5392 0.5392 0.7405 0.7405 5.0388 5.0388 5.3221 5.3221 5.4745 5.4745 6.4612 6.4612 7.1219 7.1219 7.5220 7.5220 7.6668 7.6668 8.1407 8.1407 k = 0.0000 0.0000 1.1811 ( 7822 PWs) bands (ev): -36.6723 -36.6723 -36.6722 -36.6722 -35.0590 -35.0590 -17.9375 -17.9375 -17.9367 -17.9367 -17.5983 -17.5983 -17.5979 -17.5979 -17.4876 -17.4876 -17.4855 -17.4855 -16.3483 -16.3483 -15.9744 -15.9744 -15.8524 -15.8524 -11.2694 -11.2694 -11.2445 -11.2445 -0.3221 -0.3221 -0.1898 -0.1898 0.1700 0.1700 0.2820 0.2820 0.3978 0.3978 0.5353 0.5353 0.7321 0.7321 5.0305 5.0305 5.3012 5.3012 5.4937 5.4937 6.4365 6.4365 7.1366 7.1366 7.4740 7.4740 7.6591 7.6591 8.1604 8.1604 k = 0.0000 0.0000 1.2130 ( 7824 PWs) bands (ev): -36.6723 -36.6723 -36.6722 -36.6722 -35.0590 -35.0590 -17.9377 -17.9377 -17.9369 -17.9369 -17.5985 -17.5985 -17.5981 -17.5981 -17.4875 -17.4875 -17.4857 -17.4857 -16.3483 -16.3483 -15.9746 -15.9746 -15.8527 -15.8527 -11.2678 -11.2678 -11.2453 -11.2453 -0.3179 -0.3179 -0.1965 -0.1965 0.1798 0.1798 0.2929 0.2929 0.3954 0.3954 0.5336 0.5336 0.7238 0.7238 5.0238 5.0238 5.2818 5.2818 5.5120 5.5120 6.4135 6.4135 7.1520 7.1520 7.4278 7.4278 7.6534 7.6534 8.1792 8.1792 k = 0.0000 0.0000 1.2449 ( 7824 PWs) bands (ev): -36.6722 -36.6722 -36.6721 -36.6721 -35.0590 -35.0590 -17.9378 -17.9378 -17.9372 -17.9372 -17.5987 -17.5987 -17.5984 -17.5984 -17.4874 -17.4874 -17.4858 -17.4858 -16.3484 -16.3484 -15.9748 -15.9748 -15.8530 -15.8530 -11.2664 -11.2664 -11.2461 -11.2461 -0.3128 -0.3128 -0.2032 -0.2032 0.1905 0.1905 0.3010 0.3010 0.3925 0.3925 0.5345 0.5345 0.7156 0.7156 5.0183 5.0183 5.2639 5.2639 5.5293 5.5293 6.3922 6.3922 7.1689 7.1689 7.3837 7.3837 7.6486 7.6486 8.1965 8.1965 k = 0.0000 0.0000 1.2768 ( 7830 PWs) bands (ev): -36.6722 -36.6722 -36.6721 -36.6721 -35.0590 -35.0590 -17.9379 -17.9379 -17.9374 -17.9374 -17.5988 -17.5988 -17.5986 -17.5986 -17.4873 -17.4873 -17.4859 -17.4859 -16.3485 -16.3485 -15.9750 -15.9750 -15.8533 -15.8533 -11.2651 -11.2651 -11.2470 -11.2470 -0.3069 -0.3069 -0.2098 -0.2098 0.2017 0.2017 0.3071 0.3071 0.3887 0.3887 0.5381 0.5381 0.7075 0.7075 5.0139 5.0139 5.2476 5.2476 5.5454 5.5454 6.3726 6.3726 7.1879 7.1879 7.3425 7.3425 7.6441 7.6441 8.2104 8.2104 k = 0.0000 0.0000 1.3087 ( 7818 PWs) bands (ev): -36.6722 -36.6722 -36.6721 -36.6721 -35.0589 -35.0589 -17.9380 -17.9380 -17.9375 -17.9375 -17.5990 -17.5990 -17.5988 -17.5988 -17.4872 -17.4872 -17.4860 -17.4860 -16.3485 -16.3485 -15.9751 -15.9751 -15.8535 -15.8535 -11.2641 -11.2641 -11.2478 -11.2478 -0.3005 -0.3005 -0.2161 -0.2161 0.2132 0.2132 0.3118 0.3118 0.3834 0.3834 0.5439 0.5439 0.6996 0.6996 5.0103 5.0103 5.2329 5.2329 5.5602 5.5602 6.3549 6.3549 7.2094 7.2094 7.3045 7.3045 7.6392 7.6392 8.1943 8.1944 k = 0.0000 0.0000 1.3407 ( 7818 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9380 -17.9380 -17.9376 -17.9376 -17.5991 -17.5991 -17.5989 -17.5989 -17.4871 -17.4871 -17.4860 -17.4860 -16.3486 -16.3486 -15.9753 -15.9753 -15.8538 -15.8538 -11.2632 -11.2632 -11.2487 -11.2487 -0.2938 -0.2938 -0.2221 -0.2221 0.2244 0.2244 0.3159 0.3159 0.3768 0.3768 0.5514 0.5514 0.6919 0.6919 5.0074 5.0074 5.2197 5.2197 5.5736 5.5736 6.3389 6.3389 7.2336 7.2336 7.2700 7.2700 7.6335 7.6335 8.1393 8.1393 k = 0.0000 0.0000 1.3726 ( 7810 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9381 -17.9381 -17.9378 -17.9378 -17.5992 -17.5992 -17.5991 -17.5991 -17.4870 -17.4870 -17.4861 -17.4861 -16.3486 -16.3486 -15.9754 -15.9754 -15.8540 -15.8540 -11.2624 -11.2624 -11.2494 -11.2494 -0.2870 -0.2870 -0.2276 -0.2276 0.2351 0.2351 0.3199 0.3199 0.3691 0.3691 0.5598 0.5598 0.6845 0.6845 5.0050 5.0050 5.2081 5.2081 5.5854 5.5854 6.3247 6.3247 7.2394 7.2394 7.2601 7.2601 7.6269 7.6269 8.0858 8.0858 k = 0.0000 0.0000 1.4045 ( 7814 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9381 -17.9381 -17.9379 -17.9379 -17.5993 -17.5993 -17.5992 -17.5992 -17.4870 -17.4870 -17.4862 -17.4862 -16.3487 -16.3487 -15.9755 -15.9755 -15.8542 -15.8542 -11.2618 -11.2618 -11.2501 -11.2501 -0.2804 -0.2804 -0.2326 -0.2326 0.2451 0.2451 0.3239 0.3239 0.3606 0.3606 0.5686 0.5686 0.6773 0.6773 5.0032 5.0032 5.1981 5.1981 5.5956 5.5956 6.3124 6.3124 7.2129 7.2129 7.2886 7.2886 7.6194 7.6194 8.0378 8.0378 k = 0.0000 0.0000 1.4364 ( 7830 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9382 -17.9382 -17.9380 -17.9380 -17.5994 -17.5994 -17.5993 -17.5993 -17.4869 -17.4869 -17.4863 -17.4863 -16.3487 -16.3487 -15.9756 -15.9756 -15.8543 -15.8543 -11.2612 -11.2612 -11.2508 -11.2508 -0.2742 -0.2742 -0.2370 -0.2370 0.2542 0.2542 0.3280 0.3280 0.3519 0.3519 0.5772 0.5772 0.6705 0.6705 5.0017 5.0017 5.1895 5.1895 5.6042 5.6042 6.3019 6.3019 7.1905 7.1905 7.3182 7.3182 7.6111 7.6111 7.9961 7.9961 k = 0.0000 0.0000 1.4683 ( 7822 PWs) bands (ev): -36.6721 -36.6721 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9381 -17.9381 -17.5994 -17.5994 -17.5994 -17.5994 -17.4869 -17.4869 -17.4863 -17.4863 -16.3487 -16.3487 -15.9757 -15.9757 -15.8545 -15.8545 -11.2608 -11.2608 -11.2513 -11.2513 -0.2686 -0.2686 -0.2409 -0.2409 0.2624 0.2624 0.3318 0.3318 0.3434 0.3434 0.5851 0.5851 0.6643 0.6643 5.0005 5.0005 5.1826 5.1826 5.6111 5.6111 6.2933 6.2933 7.1724 7.1724 7.3476 7.3476 7.6023 7.6023 7.9614 7.9614 k = 0.0000 0.0000 1.5003 ( 7822 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9381 -17.9381 -17.5995 -17.5995 -17.5995 -17.5995 -17.4868 -17.4868 -17.4863 -17.4863 -16.3488 -16.3488 -15.9757 -15.9757 -15.8546 -15.8546 -11.2605 -11.2605 -11.2517 -11.2517 -0.2637 -0.2637 -0.2442 -0.2442 0.2698 0.2698 0.3321 0.3321 0.3384 0.3384 0.5919 0.5919 0.6588 0.6588 4.9997 4.9997 5.1772 5.1772 5.6165 5.6165 6.2867 6.2867 7.1584 7.1584 7.3750 7.3750 7.5934 7.5934 7.9340 7.9340 k = 0.0000 0.0000 1.5322 ( 7810 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9382 -17.9382 -17.5995 -17.5995 -17.5995 -17.5995 -17.4868 -17.4868 -17.4864 -17.4864 -16.3488 -16.3488 -15.9757 -15.9757 -15.8546 -15.8546 -11.2603 -11.2603 -11.2520 -11.2520 -0.2596 -0.2596 -0.2471 -0.2471 0.2762 0.2762 0.3260 0.3260 0.3401 0.3401 0.5974 0.5974 0.6544 0.6544 4.9991 4.9991 5.1733 5.1733 5.6203 5.6203 6.2819 6.2819 7.1485 7.1485 7.3981 7.3981 7.5853 7.5853 7.9142 7.9142 k = 0.0000 0.0000 1.5641 ( 7830 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9383 -17.9383 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4868 -17.4868 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2602 -11.2602 -11.2522 -11.2522 -0.2563 -0.2563 -0.2495 -0.2495 0.2810 0.2810 0.3206 0.3206 0.3419 0.3419 0.6011 0.6011 0.6513 0.6513 4.9987 4.9987 5.1710 5.1710 5.6225 5.6225 6.2790 6.2790 7.1425 7.1425 7.4140 7.4140 7.5792 7.5792 7.9022 7.9022 k = 0.0000 0.0000 1.5960 ( 7830 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9383 -17.9383 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2546 -0.2546 -0.2509 -0.2509 0.2829 0.2829 0.3185 0.3185 0.3425 0.3425 0.6024 0.6024 0.6503 0.6503 4.9986 4.9986 5.1702 5.1702 5.6233 5.6233 6.2780 6.2780 7.1406 7.1406 7.4198 7.4198 7.5769 7.5769 7.8982 7.8982 k = 0.0000 0.0000 1.5960 ( 7830 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9383 -17.9383 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2546 -0.2546 -0.2509 -0.2509 0.2829 0.2829 0.3185 0.3185 0.3425 0.3425 0.6024 0.6024 0.6503 0.6503 4.9986 4.9986 5.1702 5.1702 5.6233 5.6233 6.2780 6.2780 7.1406 7.1406 7.4198 7.4198 7.5769 7.5769 7.8982 7.8982 k =-0.0091 0.0275 1.5960 ( 7822 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2558 -0.2558 -0.2497 -0.2497 0.2774 0.2774 0.3210 0.3210 0.3445 0.3445 0.6028 0.6028 0.6502 0.6502 4.9993 4.9993 5.1692 5.1692 5.6205 5.6205 6.2824 6.2824 7.1412 7.1412 7.4202 7.4202 7.5805 7.5805 7.8978 7.8978 k =-0.0181 0.0550 1.5960 ( 7814 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8546 -15.8546 -11.2599 -11.2599 -11.2524 -11.2524 -0.2581 -0.2581 -0.2475 -0.2475 0.2648 0.2648 0.3251 0.3251 0.3503 0.3503 0.6040 0.6040 0.6501 0.6501 5.0014 5.0014 5.1661 5.1661 5.6123 5.6123 6.2951 6.2951 7.1431 7.1431 7.4214 7.4214 7.5914 7.5914 7.8965 7.8965 k =-0.0272 0.0825 1.5960 ( 7818 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9381 -17.9381 -17.5995 -17.5995 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9757 -15.9757 -15.8546 -15.8546 -11.2597 -11.2597 -11.2526 -11.2526 -0.2608 -0.2608 -0.2449 -0.2449 0.2489 0.2489 0.3281 0.3281 0.3587 0.3587 0.6059 0.6059 0.6498 0.6498 5.0050 5.0050 5.1610 5.1610 5.5993 5.5993 6.3155 6.3155 7.1463 7.1463 7.4233 7.4233 7.6093 7.6093 7.8940 7.8940 k =-0.0272 0.0825 1.5960 ( 7818 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9381 -17.9381 -17.5995 -17.5995 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9757 -15.9757 -15.8546 -15.8546 -11.2597 -11.2597 -11.2526 -11.2526 -0.2608 -0.2608 -0.2449 -0.2449 0.2489 0.2489 0.3281 0.3281 0.3587 0.3587 0.6059 0.6059 0.6498 0.6498 5.0050 5.0050 5.1610 5.1610 5.5993 5.5993 6.3155 6.3155 7.1463 7.1463 7.4233 7.4233 7.6093 7.6093 7.8940 7.8940 k =-0.0342 0.1035 1.5738 ( 7802 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9381 -17.9381 -17.5995 -17.5995 -17.5994 -17.5994 -17.4867 -17.4867 -17.4864 -17.4864 -16.3487 -16.3487 -15.9757 -15.9757 -15.8545 -15.8545 -11.2594 -11.2594 -11.2528 -11.2528 -0.2632 -0.2632 -0.2427 -0.2427 0.2354 0.2354 0.3296 0.3296 0.3660 0.3660 0.6072 0.6072 0.6501 0.6501 5.0083 5.0083 5.1567 5.1567 5.5864 5.5864 6.3360 6.3360 7.1505 7.1505 7.4229 7.4229 7.6285 7.6285 7.8931 7.8931 k =-0.0411 0.1246 1.5516 ( 7801 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9382 -17.9382 -17.9380 -17.9380 -17.5994 -17.5994 -17.5993 -17.5993 -17.4867 -17.4867 -17.4864 -17.4864 -16.3487 -16.3487 -15.9756 -15.9756 -15.8544 -15.8544 -11.2592 -11.2592 -11.2529 -11.2529 -0.2659 -0.2659 -0.2407 -0.2407 0.2217 0.2217 0.3301 0.3301 0.3737 0.3737 0.6077 0.6077 0.6513 0.6513 5.0108 5.0108 5.1539 5.1539 5.5711 5.5711 6.3608 6.3608 7.1571 7.1571 7.4184 7.4184 7.6528 7.6528 7.8949 7.8949 k =-0.0481 0.1457 1.5294 ( 7814 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9381 -17.9381 -17.9380 -17.9380 -17.5994 -17.5994 -17.5993 -17.5993 -17.4867 -17.4867 -17.4865 -17.4865 -16.3487 -16.3487 -15.9756 -15.9756 -15.8543 -15.8543 -11.2589 -11.2589 -11.2530 -11.2530 -0.2690 -0.2690 -0.2392 -0.2392 0.2084 0.2084 0.3295 0.3295 0.3814 0.3814 0.6076 0.6076 0.6531 0.6531 5.0109 5.0109 5.1544 5.1544 5.5540 5.5540 6.3892 6.3892 7.1662 7.1662 7.4108 7.4108 7.6815 7.6815 7.8990 7.8990 k =-0.0550 0.1668 1.5072 ( 7825 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9381 -17.9381 -17.9379 -17.9379 -17.5993 -17.5993 -17.5992 -17.5992 -17.4867 -17.4867 -17.4865 -17.4865 -16.3487 -16.3487 -15.9755 -15.9755 -15.8542 -15.8542 -11.2586 -11.2586 -11.2531 -11.2531 -0.2724 -0.2724 -0.2384 -0.2384 0.1960 0.1960 0.3283 0.3283 0.3888 0.3888 0.6071 0.6071 0.6553 0.6553 5.0067 5.0067 5.1601 5.1601 5.5354 5.5354 6.4207 6.4207 7.1774 7.1774 7.4012 7.4012 7.7139 7.7139 7.9052 7.9052 k =-0.0620 0.1879 1.4851 ( 7829 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9380 -17.9380 -17.9378 -17.9378 -17.5992 -17.5992 -17.5991 -17.5991 -17.4867 -17.4867 -17.4865 -17.4865 -16.3486 -16.3486 -15.9754 -15.9754 -15.8540 -15.8540 -11.2583 -11.2583 -11.2532 -11.2532 -0.2762 -0.2762 -0.2387 -0.2387 0.1848 0.1848 0.3266 0.3266 0.3957 0.3957 0.6062 0.6062 0.6578 0.6578 4.9975 4.9975 5.1719 5.1719 5.5159 5.5159 6.4549 6.4549 7.1905 7.1905 7.3903 7.3903 7.7494 7.7494 7.9130 7.9130 k =-0.0689 0.2089 1.4629 ( 7833 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9380 -17.9380 -17.9378 -17.9378 -17.5991 -17.5991 -17.5990 -17.5990 -17.4867 -17.4867 -17.4865 -17.4865 -16.3486 -16.3486 -15.9753 -15.9753 -15.8538 -15.8538 -11.2580 -11.2580 -11.2533 -11.2533 -0.2806 -0.2806 -0.2402 -0.2402 0.1754 0.1754 0.3248 0.3248 0.4021 0.4021 0.6053 0.6053 0.6603 0.6603 4.9832 4.9832 5.1898 5.1898 5.4957 5.4957 6.4913 6.4913 7.2054 7.2054 7.3789 7.3789 7.7874 7.7874 7.9219 7.9219 k =-0.0759 0.2300 1.4407 ( 7831 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9379 -17.9379 -17.9377 -17.9377 -17.5990 -17.5990 -17.5989 -17.5989 -17.4867 -17.4867 -17.4865 -17.4865 -16.3485 -16.3485 -15.9752 -15.9752 -15.8536 -15.8536 -11.2577 -11.2577 -11.2533 -11.2533 -0.2857 -0.2857 -0.2431 -0.2431 0.1680 0.1680 0.3230 0.3230 0.4078 0.4078 0.6043 0.6043 0.6626 0.6626 4.9648 4.9648 5.2133 5.2133 5.4751 5.4751 6.5297 6.5297 7.2217 7.2217 7.3675 7.3675 7.8276 7.8276 7.9315 7.9315 k =-0.0828 0.2511 1.4185 ( 7833 PWs) bands (ev): -36.6722 -36.6722 -36.6721 -36.6721 -35.0590 -35.0590 -17.9378 -17.9378 -17.9376 -17.9376 -17.5989 -17.5989 -17.5987 -17.5987 -17.4867 -17.4867 -17.4865 -17.4865 -16.3485 -16.3485 -15.9750 -15.9750 -15.8533 -15.8533 -11.2573 -11.2573 -11.2534 -11.2534 -0.2917 -0.2917 -0.2476 -0.2476 0.1630 0.1630 0.3215 0.3215 0.4129 0.4129 0.6033 0.6033 0.6648 0.6648 4.9430 4.9430 5.2414 5.2414 5.4544 5.4544 6.5698 6.5698 7.2389 7.2389 7.3566 7.3566 7.8693 7.8693 7.9412 7.9412 k =-0.0898 0.2722 1.3963 ( 7839 PWs) bands (ev): -36.6722 -36.6722 -36.6722 -36.6722 -35.0590 -35.0590 -17.9377 -17.9377 -17.9375 -17.9375 -17.5988 -17.5988 -17.5986 -17.5986 -17.4867 -17.4867 -17.4865 -17.4865 -16.3484 -16.3484 -15.9749 -15.9749 -15.8531 -15.8531 -11.2570 -11.2570 -11.2534 -11.2534 -0.2986 -0.2986 -0.2536 -0.2536 0.1603 0.1603 0.3204 0.3204 0.4173 0.4173 0.6023 0.6023 0.6667 0.6667 4.9186 4.9186 5.2735 5.2735 5.4336 5.4336 6.6114 6.6114 7.2568 7.2568 7.3466 7.3466 7.9119 7.9119 7.9509 7.9509 k =-0.0967 0.2932 1.3741 ( 7833 PWs) bands (ev): -36.6722 -36.6722 -36.6722 -36.6722 -35.0590 -35.0590 -17.9376 -17.9376 -17.9373 -17.9373 -17.5986 -17.5986 -17.5984 -17.5984 -17.4867 -17.4867 -17.4865 -17.4865 -16.3484 -16.3484 -15.9748 -15.9748 -15.8528 -15.8528 -11.2566 -11.2566 -11.2534 -11.2534 -0.3066 -0.3066 -0.2611 -0.2611 0.1602 0.1602 0.3198 0.3198 0.4212 0.4212 0.6014 0.6014 0.6684 0.6684 4.8922 4.8922 5.3092 5.3092 5.4130 5.4130 6.6544 6.6544 7.2747 7.2747 7.3376 7.3376 7.9539 7.9539 7.9612 7.9612 k =-0.1037 0.3143 1.3519 ( 7844 PWs) bands (ev): -36.6722 -36.6722 -36.6722 -36.6722 -35.0590 -35.0590 -17.9375 -17.9375 -17.9372 -17.9372 -17.5985 -17.5985 -17.5983 -17.5983 -17.4867 -17.4867 -17.4865 -17.4865 -16.3483 -16.3483 -15.9746 -15.9746 -15.8525 -15.8525 -11.2563 -11.2563 -11.2534 -11.2534 -0.3159 -0.3159 -0.2700 -0.2700 0.1624 0.1624 0.3198 0.3198 0.4247 0.4247 0.6007 0.6007 0.6697 0.6697 4.8643 4.8643 5.3478 5.3478 5.3929 5.3929 6.6985 6.6985 7.2923 7.2923 7.3297 7.3297 7.9687 7.9687 7.9977 7.9977 k =-0.1106 0.3354 1.3297 ( 7844 PWs) bands (ev): -36.6723 -36.6723 -36.6722 -36.6722 -35.0591 -35.0591 -17.9374 -17.9374 -17.9371 -17.9371 -17.5983 -17.5983 -17.5981 -17.5981 -17.4867 -17.4867 -17.4865 -17.4865 -16.3483 -16.3483 -15.9745 -15.9745 -15.8522 -15.8522 -11.2559 -11.2559 -11.2534 -11.2534 -0.3264 -0.3264 -0.2798 -0.2798 0.1667 0.1667 0.3205 0.3205 0.4279 0.4279 0.6001 0.6001 0.6708 0.6708 4.8352 4.8352 5.3711 5.3711 5.3913 5.3913 6.7435 6.7435 7.3089 7.3089 7.3232 7.3232 7.9776 7.9776 8.0388 8.0388 k =-0.1176 0.3565 1.3075 ( 7848 PWs) bands (ev): -36.6723 -36.6723 -36.6723 -36.6723 -35.0591 -35.0591 -17.9373 -17.9373 -17.9370 -17.9370 -17.5981 -17.5981 -17.5979 -17.5979 -17.4867 -17.4867 -17.4865 -17.4865 -16.3482 -16.3482 -15.9743 -15.9743 -15.8519 -15.8519 -11.2556 -11.2556 -11.2533 -11.2533 -0.3383 -0.3383 -0.2905 -0.2905 0.1730 0.1730 0.3218 0.3218 0.4308 0.4308 0.5997 0.5997 0.6717 0.6717 4.8053 4.8053 5.3523 5.3523 5.4347 5.4347 6.7895 6.7895 7.3176 7.3176 7.3245 7.3245 7.9863 7.9863 8.0778 8.0778 k =-0.1245 0.3775 1.2853 ( 7848 PWs) bands (ev): -36.6723 -36.6723 -36.6723 -36.6723 -35.0591 -35.0591 -17.9372 -17.9372 -17.9369 -17.9369 -17.5979 -17.5979 -17.5977 -17.5977 -17.4868 -17.4868 -17.4865 -17.4865 -16.3481 -16.3481 -15.9741 -15.9741 -15.8515 -15.8515 -11.2552 -11.2552 -11.2533 -11.2533 -0.3515 -0.3515 -0.3017 -0.3017 0.1808 0.1808 0.3236 0.3236 0.4336 0.4336 0.5995 0.5995 0.6723 0.6723 4.7749 4.7749 5.3332 5.3332 5.4813 5.4813 6.8360 6.8360 7.3134 7.3134 7.3380 7.3380 7.9952 7.9952 8.1140 8.1140 k =-0.1315 0.3986 1.2631 ( 7842 PWs) bands (ev): -36.6724 -36.6724 -36.6723 -36.6723 -35.0591 -35.0591 -17.9371 -17.9371 -17.9368 -17.9368 -17.5977 -17.5977 -17.5976 -17.5976 -17.4867 -17.4867 -17.4864 -17.4864 -16.3481 -16.3481 -15.9740 -15.9740 -15.8512 -15.8512 -11.2549 -11.2549 -11.2533 -11.2533 -0.3657 -0.3657 -0.3132 -0.3132 0.1898 0.1898 0.3260 0.3260 0.4365 0.4365 0.5996 0.5996 0.6728 0.6728 4.7442 4.7442 5.3146 5.3146 5.5299 5.5299 6.8830 6.8830 7.3101 7.3101 7.3497 7.3497 8.0048 8.0048 8.1468 8.1468 k =-0.1385 0.4197 1.2409 ( 7846 PWs) bands (ev): -36.6724 -36.6724 -36.6724 -36.6724 -35.0592 -35.0592 -17.9370 -17.9370 -17.9366 -17.9366 -17.5976 -17.5976 -17.5974 -17.5974 -17.4867 -17.4867 -17.4864 -17.4864 -16.3480 -16.3480 -15.9738 -15.9738 -15.8508 -15.8508 -11.2545 -11.2545 -11.2532 -11.2532 -0.3808 -0.3808 -0.3249 -0.3249 0.1997 0.1997 0.3288 0.3288 0.4394 0.4394 0.6000 0.6000 0.6732 0.6732 4.7135 4.7135 5.2966 5.2966 5.5803 5.5803 6.9299 6.9299 7.3076 7.3076 7.3592 7.3592 8.0151 8.0151 8.1758 8.1758 k =-0.1454 0.4408 1.2187 ( 7844 PWs) bands (ev): -36.6724 -36.6724 -36.6724 -36.6724 -35.0592 -35.0592 -17.9369 -17.9369 -17.9365 -17.9365 -17.5974 -17.5974 -17.5972 -17.5972 -17.4867 -17.4867 -17.4864 -17.4864 -16.3479 -16.3479 -15.9737 -15.9737 -15.8505 -15.8505 -11.2542 -11.2542 -11.2531 -11.2531 -0.3964 -0.3964 -0.3368 -0.3368 0.2099 0.2099 0.3321 0.3321 0.4424 0.4424 0.6009 0.6009 0.6736 0.6736 4.6831 4.6831 5.2792 5.2792 5.6322 5.6322 6.9763 6.9763 7.3057 7.3057 7.3670 7.3670 8.0264 8.0264 8.2008 8.2008 k =-0.1524 0.4618 1.1965 ( 7845 PWs) bands (ev): -36.6724 -36.6724 -36.6724 -36.6724 -35.0592 -35.0592 -17.9368 -17.9368 -17.9364 -17.9364 -17.5972 -17.5972 -17.5970 -17.5970 -17.4867 -17.4867 -17.4864 -17.4864 -16.3479 -16.3479 -15.9735 -15.9735 -15.8501 -15.8501 -11.2539 -11.2539 -11.2531 -11.2531 -0.4124 -0.4124 -0.3486 -0.3486 0.2201 0.2201 0.3357 0.3357 0.4456 0.4456 0.6024 0.6024 0.6739 0.6739 4.6532 4.6532 5.2625 5.2625 5.6852 5.6852 7.0214 7.0214 7.3042 7.3042 7.3735 7.3735 8.0387 8.0387 8.2219 8.2219 k =-0.1593 0.4829 1.1743 ( 7846 PWs) bands (ev): -36.6725 -36.6725 -36.6724 -36.6724 -35.0592 -35.0592 -17.9367 -17.9367 -17.9363 -17.9363 -17.5970 -17.5970 -17.5968 -17.5968 -17.4867 -17.4867 -17.4864 -17.4864 -16.3478 -16.3478 -15.9734 -15.9734 -15.8498 -15.8498 -11.2535 -11.2535 -11.2530 -11.2530 -0.4284 -0.4284 -0.3604 -0.3604 0.2298 0.2298 0.3398 0.3398 0.4488 0.4488 0.6044 0.6044 0.6743 0.6743 4.6239 4.6239 5.2466 5.2466 5.7391 5.7391 7.0640 7.0640 7.3027 7.3027 7.3798 7.3798 8.0520 8.0520 8.2393 8.2393 k =-0.1663 0.5040 1.1521 ( 7844 PWs) bands (ev): -36.6725 -36.6725 -36.6725 -36.6725 -35.0593 -35.0593 -17.9366 -17.9366 -17.9362 -17.9362 -17.5968 -17.5968 -17.5966 -17.5966 -17.4867 -17.4867 -17.4863 -17.4863 -16.3477 -16.3477 -15.9732 -15.9732 -15.8494 -15.8494 -11.2532 -11.2532 -11.2529 -11.2529 -0.4443 -0.4443 -0.3720 -0.3720 0.2389 0.2389 0.3444 0.3444 0.4519 0.4519 0.6071 0.6071 0.6748 0.6748 4.5955 4.5955 5.2315 5.2315 5.7934 5.7934 7.1024 7.1024 7.3012 7.3012 7.3877 7.3877 8.0661 8.0661 8.2530 8.2530 k =-0.1732 0.5251 1.1300 ( 7844 PWs) bands (ev): -36.6725 -36.6725 -36.6725 -36.6725 -35.0593 -35.0593 -17.9365 -17.9365 -17.9361 -17.9361 -17.5967 -17.5967 -17.5965 -17.5965 -17.4867 -17.4867 -17.4863 -17.4863 -16.3477 -16.3477 -15.9731 -15.9731 -15.8491 -15.8491 -11.2529 -11.2529 -11.2529 -11.2529 -0.4598 -0.4598 -0.3833 -0.3833 0.2468 0.2468 0.3496 0.3496 0.4548 0.4548 0.6106 0.6106 0.6754 0.6754 4.5683 4.5683 5.2172 5.2172 5.8478 5.8478 7.1347 7.1347 7.2994 7.2994 7.3993 7.3993 8.0807 8.0807 8.2619 8.2619 k =-0.1802 0.5462 1.1078 ( 7848 PWs) bands (ev): -36.6726 -36.6726 -36.6725 -36.6725 -35.0593 -35.0593 -17.9364 -17.9364 -17.9360 -17.9360 -17.5965 -17.5965 -17.5963 -17.5963 -17.4867 -17.4867 -17.4863 -17.4863 -16.3476 -16.3476 -15.9729 -15.9729 -15.8488 -15.8488 -11.2528 -11.2528 -11.2526 -11.2526 -0.4747 -0.4747 -0.3943 -0.3943 0.2535 0.2535 0.3554 0.3554 0.4574 0.4574 0.6147 0.6147 0.6762 0.6762 4.5423 4.5423 5.2038 5.2038 5.9018 5.9018 7.1587 7.1587 7.2972 7.2972 7.4169 7.4169 8.0955 8.0955 8.2606 8.2610 k =-0.1871 0.5672 1.0856 ( 7845 PWs) bands (ev): -36.6726 -36.6726 -36.6725 -36.6725 -35.0593 -35.0593 -17.9363 -17.9363 -17.9359 -17.9359 -17.5963 -17.5963 -17.5961 -17.5961 -17.4867 -17.4867 -17.4863 -17.4863 -16.3476 -16.3476 -15.9728 -15.9728 -15.8484 -15.8484 -11.2527 -11.2527 -11.2524 -11.2524 -0.4889 -0.4889 -0.4048 -0.4048 0.2588 0.2588 0.3618 0.3618 0.4597 0.4597 0.6196 0.6196 0.6771 0.6771 4.5177 4.5177 5.1913 5.1913 5.9551 5.9551 7.1733 7.1733 7.2943 7.2943 7.4417 7.4417 8.1101 8.1101 8.2454 8.2455 k =-0.1941 0.5883 1.0634 ( 7839 PWs) bands (ev): -36.6726 -36.6726 -36.6726 -36.6726 -35.0594 -35.0594 -17.9362 -17.9362 -17.9359 -17.9359 -17.5962 -17.5962 -17.5960 -17.5960 -17.4867 -17.4867 -17.4863 -17.4863 -16.3475 -16.3475 -15.9727 -15.9727 -15.8481 -15.8481 -11.2527 -11.2527 -11.2521 -11.2521 -0.5023 -0.5023 -0.4147 -0.4147 0.2629 0.2629 0.3685 0.3685 0.4615 0.4615 0.6250 0.6250 0.6781 0.6781 4.4947 4.4947 5.1798 5.1798 6.0070 6.0070 7.1795 7.1795 7.2908 7.2908 7.4730 7.4730 8.1243 8.1243 8.2251 8.2251 k =-0.2010 0.6094 1.0412 ( 7843 PWs) bands (ev): -36.6726 -36.6726 -36.6726 -36.6726 -35.0594 -35.0594 -17.9361 -17.9361 -17.9358 -17.9358 -17.5961 -17.5961 -17.5958 -17.5958 -17.4866 -17.4866 -17.4862 -17.4862 -16.3475 -16.3475 -15.9726 -15.9726 -15.8479 -15.8479 -11.2526 -11.2526 -11.2519 -11.2519 -0.5147 -0.5147 -0.4240 -0.4240 0.2658 0.2658 0.3753 0.3753 0.4627 0.4627 0.6309 0.6309 0.6793 0.6793 4.4734 4.4734 5.1693 5.1693 6.0570 6.0570 7.1792 7.1792 7.2867 7.2867 7.5088 7.5088 8.1377 8.1377 8.2043 8.2043 k =-0.2080 0.6305 1.0190 ( 7830 PWs) bands (ev): -36.6727 -36.6727 -36.6726 -36.6726 -35.0594 -35.0594 -17.9361 -17.9361 -17.9357 -17.9357 -17.5959 -17.5959 -17.5957 -17.5957 -17.4866 -17.4866 -17.4862 -17.4862 -16.3474 -16.3474 -15.9725 -15.9725 -15.8476 -15.8476 -11.2525 -11.2525 -11.2517 -11.2517 -0.5260 -0.5260 -0.4325 -0.4325 0.2678 0.2678 0.3821 0.3821 0.4636 0.4636 0.6370 0.6370 0.6805 0.6805 4.4540 4.4540 5.1598 5.1598 6.1046 6.1046 7.1746 7.1746 7.2820 7.2820 7.5468 7.5468 8.1501 8.1501 8.1845 8.1845 k =-0.2149 0.6515 0.9968 ( 7822 PWs) bands (ev): -36.6727 -36.6727 -36.6726 -36.6726 -35.0594 -35.0594 -17.9360 -17.9360 -17.9357 -17.9357 -17.5958 -17.5958 -17.5956 -17.5956 -17.4866 -17.4866 -17.4862 -17.4862 -16.3474 -16.3474 -15.9724 -15.9724 -15.8474 -15.8474 -11.2525 -11.2525 -11.2515 -11.2515 -0.5362 -0.5362 -0.4402 -0.4402 0.2691 0.2691 0.3886 0.3886 0.4640 0.4640 0.6432 0.6432 0.6817 0.6817 4.4366 4.4366 5.1513 5.1513 6.1491 6.1491 7.1676 7.1676 7.2769 7.2769 7.5852 7.5852 8.1596 8.1596 8.1682 8.1682 k =-0.2219 0.6726 0.9746 ( 7820 PWs) bands (ev): -36.6727 -36.6727 -36.6726 -36.6726 -35.0594 -35.0594 -17.9359 -17.9359 -17.9356 -17.9356 -17.5957 -17.5957 -17.5955 -17.5955 -17.4866 -17.4866 -17.4862 -17.4862 -16.3473 -16.3473 -15.9723 -15.9723 -15.8472 -15.8472 -11.2524 -11.2524 -11.2513 -11.2513 -0.5452 -0.5452 -0.4471 -0.4471 0.2699 0.2699 0.3946 0.3946 0.4640 0.4640 0.6492 0.6492 0.6828 0.6828 4.4212 4.4212 5.1440 5.1440 6.1897 6.1897 7.1595 7.1595 7.2715 7.2715 7.6221 7.6221 8.1479 8.1479 8.1739 8.1739 k =-0.2288 0.6937 0.9524 ( 7824 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0594 -35.0594 -17.9359 -17.9359 -17.9356 -17.9356 -17.5956 -17.5956 -17.5954 -17.5954 -17.4866 -17.4866 -17.4862 -17.4862 -16.3473 -16.3473 -15.9722 -15.9722 -15.8470 -15.8470 -11.2524 -11.2524 -11.2512 -11.2512 -0.5529 -0.5529 -0.4529 -0.4529 0.2703 0.2703 0.3999 0.3999 0.4638 0.4638 0.6549 0.6549 0.6837 0.6837 4.4081 4.4081 5.1377 5.1377 6.2258 6.2258 7.1513 7.1513 7.2662 7.2662 7.6563 7.6563 8.1333 8.1333 8.1840 8.1840 k =-0.2358 0.7148 0.9302 ( 7822 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9355 -17.9355 -17.5955 -17.5955 -17.5953 -17.5953 -17.4865 -17.4865 -17.4861 -17.4861 -16.3473 -16.3473 -15.9722 -15.9722 -15.8468 -15.8468 -11.2524 -11.2524 -11.2511 -11.2511 -0.5593 -0.5593 -0.4578 -0.4578 0.2705 0.2705 0.4045 0.4045 0.4635 0.4635 0.6601 0.6601 0.6844 0.6844 4.3972 4.3972 5.1325 5.1325 6.2567 6.2567 7.1438 7.1438 7.2611 7.2611 7.6865 7.6865 8.1209 8.1209 8.1940 8.1940 k =-0.2427 0.7358 0.9080 ( 7826 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9355 -17.9355 -17.5955 -17.5955 -17.5953 -17.5953 -17.4865 -17.4865 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8467 -15.8467 -11.2523 -11.2523 -11.2510 -11.2510 -0.5643 -0.5643 -0.4617 -0.4617 0.2706 0.2706 0.4081 0.4081 0.4630 0.4630 0.6645 0.6645 0.6848 0.6848 4.3887 4.3887 5.1285 5.1285 6.2815 6.2815 7.1374 7.1374 7.2567 7.2567 7.7114 7.7114 8.1108 8.1108 8.2041 8.2041 k =-0.2497 0.7569 0.8858 ( 7820 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9355 -17.9355 -17.5954 -17.5954 -17.5952 -17.5952 -17.4865 -17.4865 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2523 -11.2523 -11.2509 -11.2509 -0.5679 -0.5679 -0.4645 -0.4645 0.2706 0.2706 0.4108 0.4108 0.4626 0.4626 0.6680 0.6680 0.6849 0.6849 4.3826 4.3826 5.1256 5.1256 6.2998 6.2998 7.1326 7.1326 7.2533 7.2533 7.7301 7.7301 8.1035 8.1035 8.2144 8.2144 k =-0.2567 0.7780 0.8636 ( 7818 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9355 -17.9355 -17.5954 -17.5954 -17.5952 -17.5952 -17.4865 -17.4865 -17.4861 -17.4861 -16.3472 -16.3472 -15.9721 -15.9721 -15.8466 -15.8466 -11.2523 -11.2523 -11.2509 -11.2509 -0.5700 -0.5700 -0.4661 -0.4661 0.2706 0.2706 0.4125 0.4125 0.4624 0.4624 0.6703 0.6703 0.6848 0.6848 4.3789 4.3789 5.1239 5.1239 6.3110 6.3110 7.1296 7.1296 7.2511 7.2511 7.7416 7.7416 8.0991 8.0991 8.2244 8.2245 k =-0.2636 0.7991 0.8414 ( 7826 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9355 -17.9355 -17.5954 -17.5954 -17.5952 -17.5952 -17.4865 -17.4865 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2523 -11.2523 -11.2509 -11.2509 -0.5708 -0.5708 -0.4667 -0.4667 0.2705 0.2705 0.4130 0.4130 0.4623 0.4623 0.6711 0.6711 0.6847 0.6847 4.3777 4.3777 5.1233 5.1233 6.3148 6.3148 7.1286 7.1286 7.2504 7.2504 7.7455 7.7455 8.0976 8.0976 8.2301 8.2301 k =-0.2636 0.7991 0.8414 ( 7826 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9355 -17.9355 -17.5954 -17.5954 -17.5952 -17.5952 -17.4865 -17.4865 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2523 -11.2523 -11.2509 -11.2509 -0.5708 -0.5708 -0.4667 -0.4667 0.2705 0.2705 0.4130 0.4130 0.4623 0.4623 0.6711 0.6711 0.6847 0.6847 4.3777 4.3777 5.1233 5.1233 6.3148 6.3148 7.1286 7.1286 7.2504 7.2504 7.7455 7.7455 8.0976 8.0976 8.2301 8.2303 k =-0.2565 0.7775 0.8187 ( 7814 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9357 -17.9357 -17.9356 -17.9356 -17.5954 -17.5954 -17.5953 -17.5953 -17.4864 -17.4864 -17.4863 -17.4863 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2528 -11.2528 -11.2493 -11.2493 -0.5680 -0.5680 -0.4742 -0.4742 0.2659 0.2659 0.4057 0.4057 0.4692 0.4692 0.6650 0.6650 0.6943 0.6943 4.3653 4.3653 5.1265 5.1265 6.3134 6.3134 7.1537 7.1537 7.2582 7.2582 7.7297 7.7297 8.1294 8.1294 8.2159 8.2162 k =-0.2494 0.7559 0.7959 ( 7818 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9356 -17.9356 -17.5954 -17.5954 -17.5953 -17.5953 -17.4866 -17.4866 -17.4860 -17.4860 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2551 -11.2551 -11.2468 -11.2468 -0.5628 -0.5628 -0.4788 -0.4788 0.2542 0.2542 0.4029 0.4029 0.4754 0.4754 0.6601 0.6601 0.7055 0.7055 4.3596 4.3596 5.1283 5.1283 6.3138 6.3138 7.1757 7.1757 7.2621 7.2621 7.7149 7.7149 8.1521 8.1521 8.1955 8.1959 k =-0.2422 0.7343 0.7732 ( 7816 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9359 -17.9359 -17.9355 -17.9355 -17.5955 -17.5955 -17.5952 -17.5952 -17.4868 -17.4868 -17.4858 -17.4858 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2577 -11.2577 -11.2445 -11.2445 -0.5551 -0.5551 -0.4806 -0.4806 0.2363 0.2363 0.4041 0.4041 0.4808 0.4808 0.6571 0.6571 0.7173 0.7173 4.3606 4.3606 5.1290 5.1290 6.3158 6.3158 7.1938 7.1938 7.2619 7.2619 7.7013 7.7013 8.1621 8.1622 8.1727 8.1727 k =-0.2351 0.7127 0.7505 ( 7816 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9359 -17.9359 -17.9353 -17.9353 -17.5955 -17.5955 -17.5951 -17.5951 -17.4871 -17.4871 -17.4856 -17.4856 -16.3472 -16.3472 -15.9721 -15.9721 -15.8466 -15.8466 -11.2607 -11.2607 -11.2427 -11.2427 -0.5449 -0.5449 -0.4794 -0.4794 0.2136 0.2136 0.4078 0.4078 0.4855 0.4855 0.6560 0.6560 0.7295 0.7295 4.3683 4.3683 5.1286 5.1286 6.3196 6.3196 7.2071 7.2071 7.2573 7.2573 7.6886 7.6886 8.1409 8.1409 8.1512 8.1524 k =-0.2280 0.6911 0.7277 ( 7820 PWs) bands (ev): -36.6728 -36.6728 -36.6727 -36.6727 -35.0595 -35.0595 -17.9359 -17.9359 -17.9351 -17.9351 -17.5954 -17.5954 -17.5949 -17.5949 -17.4873 -17.4873 -17.4853 -17.4853 -16.3472 -16.3472 -15.9720 -15.9720 -15.8465 -15.8465 -11.2641 -11.2641 -11.2412 -11.2412 -0.5324 -0.5324 -0.4753 -0.4753 0.1877 0.1877 0.4129 0.4129 0.4898 0.4898 0.6565 0.6565 0.7419 0.7419 4.3827 4.3827 5.1273 5.1273 6.3251 6.3251 7.2147 7.2147 7.2478 7.2478 7.6763 7.6763 8.1131 8.1132 8.1229 8.1240 k =-0.2209 0.6695 0.7050 ( 7826 PWs) bands (ev): -36.6728 -36.6728 -36.6727 -36.6727 -35.0595 -35.0595 -17.9359 -17.9359 -17.9349 -17.9349 -17.5953 -17.5953 -17.5946 -17.5946 -17.4875 -17.4875 -17.4851 -17.4851 -16.3472 -16.3472 -15.9719 -15.9719 -15.8464 -15.8464 -11.2678 -11.2678 -11.2401 -11.2401 -0.5174 -0.5174 -0.4684 -0.4684 0.1595 0.1595 0.4184 0.4184 0.4938 0.4938 0.6582 0.6582 0.7544 0.7544 4.4037 4.4037 5.1253 5.1253 6.3324 6.3324 7.2158 7.2158 7.2335 7.2335 7.6634 7.6634 8.0867 8.0867 8.0938 8.0939 k =-0.2137 0.6479 0.6822 ( 7829 PWs) bands (ev): -36.6728 -36.6728 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9346 -17.9346 -17.5951 -17.5951 -17.5943 -17.5943 -17.4878 -17.4878 -17.4849 -17.4849 -16.3472 -16.3472 -15.9718 -15.9718 -15.8463 -15.8463 -11.2718 -11.2718 -11.2394 -11.2394 -0.5001 -0.5001 -0.4586 -0.4586 0.1297 0.1297 0.4240 0.4240 0.4978 0.4978 0.6611 0.6611 0.7669 0.7669 4.4313 4.4313 5.1227 5.1227 6.3413 6.3413 7.2075 7.2075 7.2165 7.2165 7.6487 7.6487 8.0613 8.0613 8.0673 8.0673 k =-0.2066 0.6263 0.6595 ( 7833 PWs) bands (ev): -36.6728 -36.6728 -36.6727 -36.6727 -35.0595 -35.0595 -17.9357 -17.9357 -17.9343 -17.9343 -17.5950 -17.5950 -17.5940 -17.5940 -17.4880 -17.4880 -17.4847 -17.4847 -16.3471 -16.3471 -15.9717 -15.9717 -15.8461 -15.8461 -11.2762 -11.2762 -11.2390 -11.2390 -0.4806 -0.4806 -0.4460 -0.4460 0.0989 0.0989 0.4293 0.4293 0.5020 0.5020 0.6648 0.6648 0.7793 0.7793 4.4651 4.4651 5.1196 5.1196 6.3519 6.3519 7.1846 7.1846 7.2018 7.2018 7.6314 7.6314 8.0320 8.0322 8.0497 8.0498 k =-0.1995 0.6047 0.6368 ( 7845 PWs) bands (ev): -36.6729 -36.6729 -36.6727 -36.6727 -35.0595 -35.0595 -17.9356 -17.9356 -17.9340 -17.9340 -17.5947 -17.5947 -17.5937 -17.5937 -17.4882 -17.4882 -17.4844 -17.4844 -16.3471 -16.3471 -15.9716 -15.9716 -15.8459 -15.8459 -11.2808 -11.2808 -11.2390 -11.2390 -0.4591 -0.4591 -0.4307 -0.4307 0.0676 0.0676 0.4342 0.4342 0.5065 0.5065 0.6691 0.6691 0.7916 0.7916 4.5052 4.5052 5.1162 5.1162 6.3641 6.3641 7.1536 7.1536 7.1830 7.1830 7.6113 7.6113 8.0013 8.0014 8.0117 8.0117 k =-0.1924 0.5831 0.6140 ( 7841 PWs) bands (ev): -36.6729 -36.6729 -36.6727 -36.6727 -35.0596 -35.0596 -17.9354 -17.9354 -17.9336 -17.9336 -17.5944 -17.5944 -17.5933 -17.5933 -17.4884 -17.4884 -17.4842 -17.4842 -16.3471 -16.3471 -15.9714 -15.9714 -15.8457 -15.8457 -11.2856 -11.2856 -11.2393 -11.2393 -0.4359 -0.4359 -0.4128 -0.4128 0.0360 0.0360 0.4387 0.4387 0.5114 0.5114 0.6742 0.6742 0.8036 0.8036 4.5511 4.5511 5.1124 5.1124 6.3779 6.3779 7.1167 7.1167 7.1581 7.1581 7.5891 7.5891 7.9560 7.9560 7.9716 7.9716 k =-0.1852 0.5615 0.5913 ( 7833 PWs) bands (ev): -36.6729 -36.6729 -36.6727 -36.6727 -35.0596 -35.0596 -17.9352 -17.9352 -17.9332 -17.9332 -17.5941 -17.5941 -17.5928 -17.5928 -17.4886 -17.4886 -17.4840 -17.4840 -16.3470 -16.3470 -15.9712 -15.9712 -15.8455 -15.8455 -11.2907 -11.2907 -11.2399 -11.2399 -0.4114 -0.4114 -0.3923 -0.3923 0.0048 0.0048 0.4430 0.4430 0.5165 0.5165 0.6798 0.6798 0.8153 0.8153 4.6027 4.6027 5.1083 5.1083 6.3932 6.3932 7.0746 7.0746 7.1269 7.1269 7.5659 7.5659 7.8960 7.8960 7.9412 7.9413 k =-0.1781 0.5399 0.5685 ( 7833 PWs) bands (ev): -36.6730 -36.6730 -36.6727 -36.6727 -35.0596 -35.0596 -17.9349 -17.9349 -17.9327 -17.9327 -17.5937 -17.5937 -17.5923 -17.5923 -17.4888 -17.4888 -17.4838 -17.4838 -16.3469 -16.3469 -15.9710 -15.9710 -15.8452 -15.8452 -11.2960 -11.2960 -11.2408 -11.2408 -0.3861 -0.3861 -0.3695 -0.3695 -0.0256 -0.0256 0.4470 0.4470 0.5216 0.5216 0.6861 0.6861 0.8266 0.8266 4.6596 4.6596 5.1041 5.1041 6.4101 6.4101 7.0277 7.0277 7.0899 7.0899 7.5430 7.5430 7.8317 7.8317 7.9113 7.9113 k =-0.1710 0.5183 0.5458 ( 7839 PWs) bands (ev): -36.6730 -36.6730 -36.6727 -36.6727 -35.0596 -35.0596 -17.9347 -17.9347 -17.9323 -17.9323 -17.5934 -17.5934 -17.5918 -17.5918 -17.4890 -17.4890 -17.4836 -17.4836 -16.3469 -16.3469 -15.9708 -15.9708 -15.8450 -15.8450 -11.3015 -11.3015 -11.2420 -11.2420 -0.3604 -0.3604 -0.3446 -0.3446 -0.0544 -0.0544 0.4512 0.4512 0.5267 0.5267 0.6931 0.6931 0.8376 0.8376 4.7215 4.7215 5.0997 5.0997 6.4283 6.4283 6.9765 6.9765 7.0476 7.0476 7.5214 7.5214 7.7638 7.7638 7.8821 7.8821 k =-0.1639 0.4967 0.5231 ( 7835 PWs) bands (ev): -36.6731 -36.6731 -36.6727 -36.6727 -35.0596 -35.0596 -17.9344 -17.9344 -17.9318 -17.9318 -17.5929 -17.5929 -17.5912 -17.5912 -17.4892 -17.4892 -17.4833 -17.4833 -16.3468 -16.3468 -15.9705 -15.9705 -15.8447 -15.8447 -11.3071 -11.3071 -11.2434 -11.2434 -0.3350 -0.3350 -0.3187 -0.3187 -0.0804 -0.0804 0.4555 0.4555 0.5317 0.5317 0.7010 0.7010 0.8481 0.8481 4.7881 4.7881 5.0951 5.0951 6.4479 6.4479 6.9215 6.9215 7.0008 7.0008 7.5019 7.5019 7.6933 7.6933 7.8536 7.8536 k =-0.1567 0.4751 0.5003 ( 7845 PWs) bands (ev): -36.6731 -36.6731 -36.6727 -36.6727 -35.0597 -35.0597 -17.9341 -17.9341 -17.9313 -17.9313 -17.5925 -17.5925 -17.5907 -17.5907 -17.4894 -17.4894 -17.4831 -17.4831 -16.3467 -16.3467 -15.9703 -15.9703 -15.8444 -15.8444 -11.3128 -11.3128 -11.2451 -11.2451 -0.3118 -0.3118 -0.2924 -0.2924 -0.1012 -0.1012 0.4602 0.4602 0.5363 0.5363 0.7097 0.7097 0.8582 0.8582 4.8590 4.8590 5.0904 5.0904 6.4688 6.4688 6.8634 6.8634 6.9501 6.9501 7.4844 7.4844 7.6209 7.6209 7.8260 7.8260 k =-0.1496 0.4535 0.4776 ( 7851 PWs) bands (ev): -36.6731 -36.6731 -36.6728 -36.6728 -35.0597 -35.0597 -17.9338 -17.9338 -17.9309 -17.9309 -17.5920 -17.5920 -17.5901 -17.5901 -17.4896 -17.4896 -17.4829 -17.4829 -16.3467 -16.3467 -15.9701 -15.9701 -15.8440 -15.8440 -11.3186 -11.3186 -11.2469 -11.2469 -0.2947 -0.2947 -0.2658 -0.2658 -0.1132 -0.1132 0.4654 0.4654 0.5407 0.5407 0.7193 0.7193 0.8677 0.8677 4.9336 4.9336 5.0856 5.0856 6.4907 6.4907 6.8028 6.8028 6.8965 6.8965 7.4687 7.4687 7.5478 7.5478 7.7995 7.7995 k =-0.1425 0.4319 0.4548 ( 7855 PWs) bands (ev): -36.6732 -36.6732 -36.6728 -36.6728 -35.0597 -35.0597 -17.9335 -17.9335 -17.9304 -17.9304 -17.5915 -17.5915 -17.5895 -17.5895 -17.4898 -17.4898 -17.4827 -17.4827 -16.3466 -16.3466 -15.9698 -15.9698 -15.8437 -15.8437 -11.3244 -11.3244 -11.2490 -11.2490 -0.2891 -0.2891 -0.2383 -0.2383 -0.1121 -0.1121 0.4713 0.4713 0.5447 0.5447 0.7298 0.7298 0.8768 0.8768 5.0114 5.0114 5.0806 5.0806 6.5137 6.5137 6.7402 6.7402 6.8408 6.8408 7.4499 7.4499 7.4795 7.4795 7.7742 7.7742 k =-0.1354 0.4103 0.4321 ( 7855 PWs) bands (ev): -36.6732 -36.6732 -36.6728 -36.6728 -35.0598 -35.0598 -17.9332 -17.9332 -17.9299 -17.9299 -17.5910 -17.5910 -17.5889 -17.5889 -17.4899 -17.4899 -17.4825 -17.4825 -16.3465 -16.3465 -15.9696 -15.9696 -15.8433 -15.8433 -11.3303 -11.3303 -11.2512 -11.2512 -0.2962 -0.2962 -0.2101 -0.2101 -0.0969 -0.0969 0.4780 0.4780 0.5485 0.5485 0.7413 0.7413 0.8855 0.8855 5.0755 5.0755 5.0919 5.0919 6.5376 6.5376 6.6763 6.6763 6.7835 6.7835 7.3934 7.3934 7.4511 7.4511 7.7501 7.7501 k =-0.1282 0.3887 0.4093 ( 7859 PWs) bands (ev): -36.6733 -36.6733 -36.6728 -36.6728 -35.0598 -35.0598 -17.9328 -17.9328 -17.9294 -17.9294 -17.5905 -17.5905 -17.5883 -17.5883 -17.4901 -17.4901 -17.4824 -17.4824 -16.3465 -16.3465 -15.9693 -15.9693 -15.8430 -15.8430 -11.3361 -11.3361 -11.2535 -11.2535 -0.3120 -0.3120 -0.1819 -0.1819 -0.0715 -0.0715 0.4856 0.4856 0.5521 0.5521 0.7536 0.7536 0.8936 0.8936 5.0703 5.0703 5.1743 5.1743 6.5620 6.5620 6.6122 6.6122 6.7254 6.7254 7.3220 7.3220 7.4399 7.4399 7.7274 7.7274 k =-0.1211 0.3671 0.3866 ( 7851 PWs) bands (ev): -36.6733 -36.6733 -36.6728 -36.6728 -35.0598 -35.0598 -17.9325 -17.9325 -17.9289 -17.9289 -17.5900 -17.5900 -17.5876 -17.5876 -17.4902 -17.4902 -17.4822 -17.4822 -16.3464 -16.3464 -15.9691 -15.9691 -15.8426 -15.8426 -11.3418 -11.3418 -11.2559 -11.2559 -0.3324 -0.3324 -0.1542 -0.1542 -0.0400 -0.0400 0.4940 0.4940 0.5557 0.5557 0.7667 0.7667 0.9013 0.9013 5.0649 5.0649 5.2577 5.2577 6.5471 6.5471 6.5883 6.5883 6.6670 6.6670 7.2514 7.2514 7.4308 7.4308 7.7062 7.7062 k =-0.1140 0.3455 0.3639 ( 7843 PWs) bands (ev): -36.6733 -36.6733 -36.6729 -36.6729 -35.0598 -35.0598 -17.9321 -17.9321 -17.9284 -17.9284 -17.5895 -17.5895 -17.5870 -17.5870 -17.4903 -17.4903 -17.4820 -17.4820 -16.3463 -16.3463 -15.9688 -15.9688 -15.8423 -15.8423 -11.3474 -11.3474 -11.2584 -11.2584 -0.3548 -0.3548 -0.1276 -0.1276 -0.0051 -0.0051 0.5032 0.5032 0.5596 0.5596 0.7805 0.7805 0.9085 0.9085 5.0593 5.0593 5.3408 5.3408 6.4850 6.4850 6.6082 6.6082 6.6141 6.6141 7.1830 7.1830 7.4220 7.4220 7.6865 7.6865 k =-0.1069 0.3239 0.3411 ( 7853 PWs) bands (ev): -36.6734 -36.6734 -36.6729 -36.6729 -35.0599 -35.0599 -17.9318 -17.9318 -17.9279 -17.9279 -17.5890 -17.5890 -17.5864 -17.5864 -17.4905 -17.4905 -17.4818 -17.4818 -16.3462 -16.3462 -15.9686 -15.9686 -15.8419 -15.8419 -11.3529 -11.3529 -11.2608 -11.2608 -0.3777 -0.3777 -0.1025 -0.1025 0.0318 0.0318 0.5128 0.5128 0.5641 0.5641 0.7949 0.7949 0.9154 0.9154 5.0536 5.0536 5.4221 5.4221 6.4257 6.4257 6.5508 6.5508 6.6397 6.6397 7.1178 7.1178 7.4124 7.4124 7.6684 7.6684 k =-0.0997 0.3024 0.3184 ( 7855 PWs) bands (ev): -36.6734 -36.6734 -36.6729 -36.6729 -35.0599 -35.0599 -17.9314 -17.9314 -17.9274 -17.9274 -17.5885 -17.5885 -17.5858 -17.5858 -17.4906 -17.4906 -17.4816 -17.4816 -16.3462 -16.3462 -15.9683 -15.9683 -15.8415 -15.8415 -11.3582 -11.3582 -11.2633 -11.2633 -0.4004 -0.4004 -0.0793 -0.0793 0.0697 0.0697 0.5220 0.5220 0.5699 0.5699 0.8098 0.8098 0.9220 0.9220 5.0477 5.0477 5.4991 5.4991 6.3718 6.3718 6.4939 6.4939 6.6658 6.6658 7.0565 7.0565 7.4007 7.4007 7.6519 7.6519 k =-0.0926 0.2808 0.2956 ( 7861 PWs) bands (ev): -36.6735 -36.6735 -36.6729 -36.6729 -35.0599 -35.0599 -17.9311 -17.9311 -17.9270 -17.9270 -17.5880 -17.5880 -17.5852 -17.5852 -17.4907 -17.4907 -17.4815 -17.4815 -16.3461 -16.3461 -15.9681 -15.9681 -15.8412 -15.8412 -11.3633 -11.3633 -11.2658 -11.2658 -0.4224 -0.4224 -0.0583 -0.0583 0.1081 0.1081 0.5301 0.5301 0.5777 0.5777 0.8249 0.8249 0.9285 0.9285 5.0417 5.0417 5.5685 5.5685 6.3266 6.3266 6.4383 6.4383 6.6918 6.6918 6.9996 6.9996 7.3854 7.3854 7.6369 7.6374 k =-0.0855 0.2592 0.2729 ( 7861 PWs) bands (ev): -36.6735 -36.6735 -36.6730 -36.6730 -35.0600 -35.0600 -17.9308 -17.9308 -17.9266 -17.9266 -17.5875 -17.5875 -17.5846 -17.5846 -17.4908 -17.4908 -17.4813 -17.4813 -16.3461 -16.3461 -15.9679 -15.9679 -15.8409 -15.8409 -11.3682 -11.3682 -11.2682 -11.2682 -0.4434 -0.4434 -0.0395 -0.0395 0.1463 0.1463 0.5361 0.5361 0.5881 0.5881 0.8399 0.8399 0.9350 0.9350 5.0356 5.0356 5.6257 5.6257 6.2944 6.2944 6.3845 6.3845 6.7174 6.7174 6.9477 6.9477 7.3654 7.3654 7.6225 7.6234 k =-0.0784 0.2376 0.2502 ( 7873 PWs) bands (ev): -36.6735 -36.6735 -36.6730 -36.6730 -35.0600 -35.0600 -17.9305 -17.9305 -17.9262 -17.9262 -17.5871 -17.5871 -17.5841 -17.5841 -17.4909 -17.4909 -17.4812 -17.4812 -16.3460 -16.3460 -15.9677 -15.9677 -15.8406 -15.8406 -11.3728 -11.3728 -11.2705 -11.2705 -0.4632 -0.4632 -0.0231 -0.0231 0.1840 0.1840 0.5400 0.5400 0.6010 0.6010 0.8543 0.8543 0.9419 0.9419 5.0294 5.0294 5.6655 5.6655 6.2798 6.2798 6.3329 6.3329 6.7424 6.7424 6.9016 6.9016 7.3403 7.3403 7.6023 7.6024 k =-0.0712 0.2160 0.2274 ( 7885 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0600 -35.0600 -17.9303 -17.9303 -17.9258 -17.9258 -17.5867 -17.5867 -17.5836 -17.5836 -17.4910 -17.4910 -17.4810 -17.4810 -16.3460 -16.3460 -15.9675 -15.9675 -15.8403 -15.8403 -11.3771 -11.3771 -11.2727 -11.2727 -0.4816 -0.4816 -0.0090 -0.0090 0.2208 0.2208 0.5420 0.5420 0.6155 0.6155 0.8676 0.8676 0.9496 0.9496 5.0232 5.0232 5.6844 5.6844 6.2795 6.2795 6.2902 6.2902 6.7665 6.7665 6.8619 6.8619 7.3112 7.3112 7.5866 7.5867 k =-0.0641 0.1944 0.2047 ( 7889 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0600 -35.0600 -17.9300 -17.9300 -17.9255 -17.9255 -17.5863 -17.5863 -17.5831 -17.5831 -17.4911 -17.4911 -17.4809 -17.4809 -16.3459 -16.3459 -15.9673 -15.9673 -15.8400 -15.8400 -11.3811 -11.3811 -11.2748 -11.2748 -0.4985 -0.4985 0.0030 0.0030 0.2564 0.2564 0.5425 0.5425 0.6309 0.6309 0.8791 0.8791 0.9585 0.9585 5.0171 5.0171 5.6832 5.6832 6.2364 6.2364 6.3121 6.3121 6.7892 6.7892 6.8299 6.8299 7.2800 7.2800 7.5770 7.5770 k =-0.0570 0.1728 0.1819 ( 7885 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0600 -35.0600 -17.9298 -17.9298 -17.9251 -17.9251 -17.5859 -17.5859 -17.5827 -17.5827 -17.4911 -17.4911 -17.4808 -17.4808 -16.3459 -16.3459 -15.9672 -15.9672 -15.8397 -15.8397 -11.3847 -11.3847 -11.2767 -11.2767 -0.5138 -0.5138 0.0130 0.0130 0.2903 0.2903 0.5417 0.5417 0.6465 0.6465 0.8882 0.8882 0.9687 0.9687 5.0112 5.0112 5.6670 5.6670 6.1937 6.1937 6.3489 6.3489 6.8031 6.8031 6.8144 6.8144 7.2487 7.2487 7.5717 7.5718 k =-0.0499 0.1512 0.1592 ( 7903 PWs) bands (ev): -36.6736 -36.6736 -36.6731 -36.6731 -35.0601 -35.0601 -17.9296 -17.9296 -17.9249 -17.9249 -17.5856 -17.5856 -17.5824 -17.5824 -17.4912 -17.4912 -17.4807 -17.4807 -16.3458 -16.3458 -15.9671 -15.9671 -15.8395 -15.8395 -11.3880 -11.3880 -11.2785 -11.2785 -0.5275 -0.5275 0.0212 0.0212 0.3223 0.3223 0.5397 0.5397 0.6617 0.6617 0.8948 0.8948 0.9801 0.9801 5.0056 5.0056 5.6420 5.6420 6.1547 6.1547 6.3893 6.3893 6.7927 6.7927 6.8324 6.8324 7.2187 7.2187 7.5695 7.5697 k =-0.0427 0.1296 0.1364 ( 7899 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9294 -17.9294 -17.9246 -17.9246 -17.5853 -17.5853 -17.5820 -17.5820 -17.4912 -17.4912 -17.4806 -17.4806 -16.3458 -16.3458 -15.9669 -15.9669 -15.8393 -15.8393 -11.3908 -11.3908 -11.2800 -11.2800 -0.5395 -0.5395 0.0278 0.0278 0.3522 0.3522 0.5365 0.5365 0.6761 0.6761 0.8992 0.8992 0.9922 0.9922 5.0003 5.0003 5.6133 5.6133 6.1199 6.1199 6.4252 6.4252 6.7930 6.7930 6.8505 6.8505 7.1915 7.1915 7.5690 7.5697 k =-0.0356 0.1080 0.1137 ( 7899 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9292 -17.9292 -17.9244 -17.9244 -17.5850 -17.5850 -17.5817 -17.5817 -17.4913 -17.4913 -17.4806 -17.4806 -16.3458 -16.3458 -15.9668 -15.9668 -15.8391 -15.8391 -11.3933 -11.3933 -11.2814 -11.2814 -0.5497 -0.5497 0.0331 0.0331 0.3797 0.3797 0.5321 0.5321 0.6893 0.6893 0.9018 0.9018 1.0040 1.0040 4.9956 4.9956 5.5846 5.5846 6.0897 6.0897 6.4518 6.4518 6.8056 6.8056 6.8667 6.8667 7.1675 7.1675 7.5695 7.5702 k =-0.0285 0.0864 0.0910 ( 7909 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9291 -17.9291 -17.9242 -17.9242 -17.5849 -17.5849 -17.5815 -17.5815 -17.4913 -17.4913 -17.4805 -17.4805 -16.3458 -16.3458 -15.9667 -15.9667 -15.8390 -15.8390 -11.3953 -11.3953 -11.2825 -11.2825 -0.5581 -0.5581 0.0371 0.0371 0.4046 0.4046 0.5263 0.5263 0.7008 0.7008 0.9031 0.9031 1.0149 1.0149 4.9915 4.9915 5.5586 5.5586 6.0645 6.0645 6.4680 6.4680 6.8275 6.8275 6.8809 6.8809 7.1475 7.1475 7.5715 7.5753 k =-0.0214 0.0648 0.0682 ( 7905 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9290 -17.9290 -17.9241 -17.9241 -17.5847 -17.5847 -17.5813 -17.5813 -17.4913 -17.4913 -17.4804 -17.4804 -16.3457 -16.3457 -15.9667 -15.9667 -15.8388 -15.8388 -11.3969 -11.3969 -11.2834 -11.2834 -0.5646 -0.5646 0.0401 0.0401 0.4269 0.4269 0.5192 0.5192 0.7103 0.7103 0.9035 0.9035 1.0240 1.0240 4.9882 4.9882 5.5369 5.5369 6.0446 6.0446 6.4762 6.4762 6.8525 6.8525 6.8931 6.8931 7.1317 7.1317 7.5717 7.5725 k =-0.0142 0.0432 0.0455 ( 7897 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9289 -17.9289 -17.9240 -17.9240 -17.5846 -17.5846 -17.5811 -17.5811 -17.4913 -17.4913 -17.4804 -17.4804 -16.3457 -16.3457 -15.9666 -15.9666 -15.8388 -15.8388 -11.3981 -11.3981 -11.2840 -11.2840 -0.5694 -0.5694 0.0422 0.0422 0.4462 0.4462 0.5108 0.5108 0.7174 0.7174 0.9034 0.9034 1.0310 1.0310 4.9857 4.9857 5.5206 5.5206 6.0302 6.0302 6.4797 6.4797 6.8736 6.8736 6.9038 6.9038 7.1202 7.1202 7.5733 7.5746 k =-0.0071 0.0216 0.0227 ( 7873 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4913 -17.4913 -17.4803 -17.4803 -16.3457 -16.3457 -15.9665 -15.9665 -15.8387 -15.8387 -11.3988 -11.3988 -11.2844 -11.2844 -0.5722 -0.5722 0.0433 0.0433 0.4616 0.4616 0.5020 0.5020 0.7218 0.7218 0.9033 0.9033 1.0353 1.0353 4.9842 4.9842 5.5106 5.5106 6.0215 6.0215 6.4808 6.4808 6.8861 6.8861 6.9127 6.9127 7.1134 7.1134 7.5723 7.5802 k = 0.0000 0.0000 0.0000 ( 7865 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5844 -17.5844 -17.5810 -17.5810 -17.4913 -17.4913 -17.4803 -17.4803 -16.3457 -16.3457 -15.9665 -15.9665 -15.8386 -15.8386 -11.3990 -11.3990 -11.2845 -11.2845 -0.5731 -0.5731 0.0437 0.0437 0.4687 0.4687 0.4971 0.4971 0.7233 0.7233 0.9032 0.9032 1.0367 1.0367 4.9837 4.9837 5.5072 5.5072 6.0186 6.0186 6.4811 6.4811 6.8899 6.8899 6.9163 6.9163 7.1111 7.1111 7.5724 7.5791 k = 0.0000 0.0000 0.0000 ( 7865 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5844 -17.5844 -17.5810 -17.5810 -17.4913 -17.4913 -17.4803 -17.4803 -16.3457 -16.3457 -15.9665 -15.9665 -15.8386 -15.8386 -11.3990 -11.3990 -11.2845 -11.2845 -0.5731 -0.5731 0.0437 0.0437 0.4687 0.4687 0.4971 0.4971 0.7233 0.7233 0.9032 0.9032 1.0367 1.0367 4.9837 4.9837 5.5072 5.5072 6.0186 6.0186 6.4811 6.4811 6.8899 6.8899 6.9163 6.9163 7.1111 7.1111 7.5724 7.5766 k = 0.0294 0.0097-0.0000 ( 7873 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5844 -17.5844 -17.5810 -17.5810 -17.4913 -17.4913 -17.4803 -17.4803 -16.3457 -16.3457 -15.9665 -15.9665 -15.8386 -15.8386 -11.3989 -11.3989 -11.2846 -11.2846 -0.5730 -0.5730 0.0423 0.0423 0.4695 0.4695 0.4975 0.4975 0.7233 0.7233 0.9041 0.9041 1.0367 1.0367 4.9702 4.9702 5.5218 5.5218 6.0179 6.0179 6.4822 6.4822 6.8879 6.8879 6.9142 6.9142 7.1090 7.1090 7.5770 7.5784 k = 0.0588 0.0194-0.0000 ( 7889 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5844 -17.5844 -17.5810 -17.5810 -17.4913 -17.4913 -17.4804 -17.4804 -16.3457 -16.3457 -15.9665 -15.9665 -15.8387 -15.8387 -11.3987 -11.3987 -11.2848 -11.2848 -0.5728 -0.5728 0.0380 0.0380 0.4718 0.4718 0.4990 0.4990 0.7234 0.7234 0.9067 0.9067 1.0366 1.0366 4.9337 4.9337 5.5616 5.5616 6.0160 6.0160 6.4855 6.4855 6.8821 6.8821 6.9082 6.9082 7.1028 7.1028 7.5889 7.5954 k = 0.0882 0.0291-0.0000 ( 7913 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4913 -17.4913 -17.4804 -17.4804 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3984 -11.3984 -11.2851 -11.2851 -0.5724 -0.5724 0.0312 0.0312 0.4749 0.4749 0.5017 0.5017 0.7235 0.7235 0.9110 0.9110 1.0365 1.0365 4.8823 4.8823 5.6184 5.6184 6.0129 6.0129 6.4909 6.4909 6.8731 6.8731 6.8986 6.8986 7.0926 7.0926 7.6092 7.6150 k = 0.1176 0.0388-0.0000 ( 7897 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4913 -17.4913 -17.4804 -17.4804 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3980 -11.3980 -11.2855 -11.2855 -0.5718 -0.5718 0.0223 0.0223 0.4781 0.4781 0.5059 0.5059 0.7237 0.7237 0.9169 0.9169 1.0363 1.0363 4.8231 4.8231 5.6852 5.6852 6.0089 6.0089 6.4981 6.4981 6.8614 6.8614 6.8864 6.8864 7.0787 7.0787 7.6367 7.6434 k = 0.1471 0.0485-0.0000 ( 7901 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4913 -17.4913 -17.4804 -17.4804 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3975 -11.3975 -11.2861 -11.2861 -0.5711 -0.5711 0.0120 0.0120 0.4808 0.4808 0.5116 0.5116 0.7239 0.7239 0.9244 0.9244 1.0360 1.0360 4.7607 4.7607 5.7574 5.7574 6.0041 6.0041 6.5069 6.5069 6.8479 6.8479 6.8723 6.8723 7.0612 7.0612 7.6700 7.6721 k = 0.1765 0.0582-0.0000 ( 7901 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4912 -17.4912 -17.4805 -17.4805 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3968 -11.3968 -11.2867 -11.2867 -0.5703 -0.5703 0.0006 0.0006 0.4830 0.4830 0.5185 0.5185 0.7241 0.7241 0.9332 0.9332 1.0358 1.0358 4.6980 4.6980 5.8321 5.8321 5.9987 5.9987 6.5168 6.5168 6.8334 6.8334 6.8572 6.8572 7.0404 7.0404 7.6770 7.6821 k = 0.2059 0.0679-0.0000 ( 7909 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4912 -17.4912 -17.4805 -17.4805 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3961 -11.3961 -11.2874 -11.2874 -0.5695 -0.5695 -0.0112 -0.0112 0.4846 0.4846 0.5260 0.5260 0.7244 0.7244 0.9430 0.9430 1.0355 1.0355 4.6368 4.6368 5.9073 5.9073 5.9930 5.9930 6.5275 6.5275 6.8184 6.8184 6.8416 6.8416 7.0166 7.0166 7.6778 7.6782 k = 0.2353 0.0776-0.0000 ( 7917 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9240 -17.9240 -17.5845 -17.5845 -17.5810 -17.5810 -17.4912 -17.4912 -17.4806 -17.4806 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3954 -11.3954 -11.2881 -11.2881 -0.5686 -0.5686 -0.0230 -0.0230 0.4859 0.4859 0.5335 0.5335 0.7246 0.7246 0.9537 0.9537 1.0351 1.0351 4.5785 4.5785 5.9818 5.9818 5.9872 5.9872 6.5387 6.5387 6.8035 6.8035 6.8262 6.8262 6.9900 6.9900 7.6795 7.6795 k = 0.2647 0.0873-0.0000 ( 7909 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4912 -17.4912 -17.4806 -17.4806 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3947 -11.3947 -11.2889 -11.2889 -0.5676 -0.5676 -0.0345 -0.0345 0.4869 0.4869 0.5407 0.5407 0.7249 0.7249 0.9649 0.9649 1.0348 1.0348 4.5242 4.5242 5.9815 5.9815 6.0546 6.0546 6.5499 6.5499 6.7893 6.7893 6.8115 6.8115 6.9611 6.9611 7.6813 7.6813 k = 0.2941 0.0970-0.0000 ( 7913 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9240 -17.9240 -17.5845 -17.5845 -17.5810 -17.5810 -17.4911 -17.4911 -17.4806 -17.4806 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3939 -11.3939 -11.2897 -11.2897 -0.5668 -0.5668 -0.0453 -0.0453 0.4878 0.4878 0.5472 0.5472 0.7252 0.7252 0.9761 0.9761 1.0345 1.0345 4.4744 4.4744 5.9761 5.9761 6.1249 6.1249 6.5608 6.5608 6.7760 6.7760 6.7978 6.7978 6.9300 6.9300 7.6831 7.6831 k = 0.3235 0.1067-0.0000 ( 7905 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9240 -17.9240 -17.5845 -17.5845 -17.5810 -17.5810 -17.4911 -17.4911 -17.4806 -17.4806 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3932 -11.3932 -11.2904 -11.2904 -0.5659 -0.5659 -0.0551 -0.0551 0.4886 0.4886 0.5529 0.5529 0.7255 0.7255 0.9869 0.9869 1.0342 1.0342 4.4301 4.4301 5.9711 5.9711 6.1921 6.1921 6.5711 6.5711 6.7641 6.7641 6.7855 6.7855 6.8972 6.8972 7.6849 7.6849 k = 0.3529 0.1164-0.0000 ( 7889 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9240 -17.9240 -17.5845 -17.5845 -17.5810 -17.5810 -17.4910 -17.4910 -17.4806 -17.4806 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3925 -11.3925 -11.2911 -11.2911 -0.5652 -0.5652 -0.0638 -0.0638 0.4892 0.4892 0.5577 0.5577 0.7257 0.7257 0.9969 0.9969 1.0339 1.0339 4.3916 4.3916 5.9666 5.9666 6.2554 6.2554 6.5804 6.5804 6.7536 6.7536 6.7748 6.7748 6.8632 6.8632 7.6865 7.6865 k = 0.3824 0.1261-0.0000 ( 7869 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9287 -17.9287 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4909 -17.4909 -17.4806 -17.4806 -16.3457 -16.3457 -15.9665 -15.9665 -15.8387 -15.8387 -11.3919 -11.3919 -11.2917 -11.2917 -0.5645 -0.5645 -0.0710 -0.0710 0.4897 0.4897 0.5617 0.5617 0.7259 0.7259 1.0058 1.0058 1.0337 1.0337 4.3595 4.3595 5.9629 5.9629 6.3138 6.3138 6.5885 6.5885 6.7449 6.7449 6.7658 6.7658 6.8289 6.8289 7.6879 7.6879 k = 0.4118 0.1358-0.0000 ( 7861 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9287 -17.9287 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4909 -17.4909 -17.4806 -17.4806 -16.3457 -16.3457 -15.9665 -15.9665 -15.8387 -15.8387 -11.3914 -11.3914 -11.2922 -11.2922 -0.5640 -0.5640 -0.0768 -0.0768 0.4902 0.4902 0.5647 0.5647 0.7261 0.7261 1.0131 1.0131 1.0335 1.0335 4.3341 4.3341 5.9599 5.9599 6.3659 6.3659 6.5950 6.5950 6.7379 6.7379 6.7587 6.7587 6.7954 6.7954 7.6891 7.6891 k = 0.4412 0.1455-0.0000 ( 7853 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9287 -17.9287 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4909 -17.4909 -17.4806 -17.4806 -16.3457 -16.3457 -15.9665 -15.9665 -15.8387 -15.8387 -11.3911 -11.3911 -11.2926 -11.2926 -0.5636 -0.5636 -0.0810 -0.0810 0.4905 0.4905 0.5669 0.5669 0.7262 0.7262 1.0186 1.0186 1.0333 1.0333 4.3157 4.3157 5.9576 5.9576 6.4092 6.4092 6.5998 6.5998 6.7329 6.7329 6.7535 6.7535 6.7655 6.7655 7.6900 7.6900 k = 0.4706 0.1552-0.0000 ( 7841 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9287 -17.9287 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4909 -17.4909 -17.4806 -17.4806 -16.3457 -16.3457 -15.9665 -15.9665 -15.8386 -15.8386 -11.3908 -11.3908 -11.2928 -11.2928 -0.5634 -0.5634 -0.0836 -0.0836 0.4906 0.4906 0.5682 0.5682 0.7263 0.7263 1.0219 1.0219 1.0332 1.0332 4.3046 4.3046 5.9563 5.9563 6.4392 6.4392 6.6028 6.6028 6.7299 6.7299 6.7435 6.7435 6.7504 6.7504 7.6906 7.6906 k = 0.5000 0.1649-0.0000 ( 7860 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9287 -17.9287 -17.9240 -17.9240 -17.5845 -17.5845 -17.5810 -17.5810 -17.4908 -17.4908 -17.4806 -17.4806 -16.3457 -16.3457 -15.9665 -15.9665 -15.8387 -15.8387 -11.3908 -11.3908 -11.2929 -11.2929 -0.5633 -0.5633 -0.0844 -0.0844 0.4907 0.4907 0.5686 0.5686 0.7263 0.7263 1.0231 1.0231 1.0332 1.0332 4.3009 4.3009 5.9558 5.9558 6.4502 6.4502 6.6037 6.6037 6.7289 6.7289 6.7351 6.7351 6.7494 6.7494 7.6908 7.6908 k = 0.5000 0.1649-0.0000 ( 7860 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9287 -17.9287 -17.9240 -17.9240 -17.5845 -17.5845 -17.5810 -17.5810 -17.4908 -17.4908 -17.4806 -17.4806 -16.3457 -16.3457 -15.9665 -15.9665 -15.8387 -15.8387 -11.3908 -11.3908 -11.2929 -11.2929 -0.5633 -0.5633 -0.0844 -0.0844 0.4907 0.4907 0.5686 0.5686 0.7263 0.7263 1.0231 1.0231 1.0332 1.0332 4.3009 4.3009 5.9558 5.9558 6.4502 6.4502 6.6037 6.6037 6.7289 6.7289 6.7351 6.7351 6.7494 6.7494 7.6908 7.6908 k = 0.4930 0.1860 0.0222 ( 7836 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9287 -17.9287 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4908 -17.4908 -17.4806 -17.4806 -16.3456 -16.3456 -15.9665 -15.9665 -15.8387 -15.8387 -11.3905 -11.3905 -11.2927 -11.2927 -0.5626 -0.5626 -0.0843 -0.0843 0.4892 0.4892 0.5680 0.5680 0.7251 0.7251 1.0226 1.0226 1.0315 1.0315 4.3034 4.3034 5.9582 5.9582 6.4519 6.4519 6.6061 6.6061 6.7226 6.7226 6.7380 6.7380 6.7468 6.7468 7.6929 7.6929 k = 0.4861 0.2071 0.0444 ( 7836 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9287 -17.9287 -17.9240 -17.9240 -17.5845 -17.5845 -17.5811 -17.5811 -17.4908 -17.4908 -17.4807 -17.4807 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3899 -11.3899 -11.2924 -11.2924 -0.5607 -0.5607 -0.0841 -0.0841 0.4848 0.4848 0.5663 0.5663 0.7215 0.7215 1.0201 1.0201 1.0275 1.0275 4.3108 4.3108 5.9650 5.9650 6.4567 6.4567 6.6130 6.6130 6.7025 6.7025 6.7381 6.7381 6.7495 6.7495 7.6990 7.6991 k = 0.4791 0.2282 0.0666 ( 7848 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9241 -17.9241 -17.5846 -17.5846 -17.5812 -17.5812 -17.4908 -17.4908 -17.4807 -17.4807 -16.3457 -16.3457 -15.9666 -15.9666 -15.8388 -15.8388 -11.3888 -11.3888 -11.2918 -11.2918 -0.5576 -0.5576 -0.0836 -0.0836 0.4774 0.4774 0.5635 0.5635 0.7158 0.7158 1.0127 1.0127 1.0242 1.0242 4.3231 4.3231 5.9760 5.9760 6.4644 6.4644 6.6248 6.6248 6.6675 6.6675 6.7329 6.7329 6.7624 6.7624 7.7093 7.7093 k = 0.4722 0.2492 0.0888 ( 7848 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9289 -17.9289 -17.9243 -17.9243 -17.5848 -17.5848 -17.5814 -17.5814 -17.4908 -17.4908 -17.4808 -17.4808 -16.3457 -16.3457 -15.9667 -15.9667 -15.8389 -15.8389 -11.3873 -11.3873 -11.2909 -11.2909 -0.5533 -0.5533 -0.0831 -0.0831 0.4671 0.4671 0.5595 0.5595 0.7080 0.7080 1.0003 1.0003 1.0221 1.0221 4.3399 4.3399 5.9904 5.9904 6.4744 6.4744 6.6200 6.6200 6.6422 6.6422 6.7265 6.7265 6.7811 6.7811 7.7236 7.7236 k = 0.4652 0.2703 0.1110 ( 7848 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9290 -17.9290 -17.9244 -17.9244 -17.5850 -17.5850 -17.5817 -17.5817 -17.4908 -17.4908 -17.4808 -17.4808 -16.3457 -16.3457 -15.9668 -15.9668 -15.8391 -15.8391 -11.3854 -11.3854 -11.2898 -11.2898 -0.5479 -0.5479 -0.0825 -0.0825 0.4539 0.4539 0.5543 0.5543 0.6985 0.6985 0.9846 0.9846 1.0198 1.0198 4.3610 4.3610 6.0071 6.0071 6.4862 6.4862 6.5642 6.5642 6.6650 6.6650 6.7187 6.7187 6.8049 6.8049 7.7419 7.7419 k = 0.4583 0.2914 0.1332 ( 7856 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9292 -17.9292 -17.9246 -17.9246 -17.5852 -17.5852 -17.5820 -17.5820 -17.4907 -17.4907 -17.4809 -17.4809 -16.3458 -16.3458 -15.9669 -15.9669 -15.8392 -15.8392 -11.3830 -11.3830 -11.2886 -11.2886 -0.5414 -0.5414 -0.0819 -0.0819 0.4379 0.4379 0.5479 0.5479 0.6878 0.6878 0.9663 0.9663 1.0169 1.0169 4.3857 4.3857 6.0239 6.0239 6.4989 6.4989 6.5040 6.5040 6.6940 6.6940 6.7095 6.7095 6.8337 6.8337 7.7641 7.7641 k = 0.4513 0.3125 0.1554 ( 7854 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0601 -35.0601 -17.9294 -17.9294 -17.9249 -17.9249 -17.5855 -17.5855 -17.5823 -17.5823 -17.4907 -17.4907 -17.4810 -17.4810 -16.3458 -16.3458 -15.9670 -15.9670 -15.8394 -15.8394 -11.3803 -11.3803 -11.2871 -11.2871 -0.5340 -0.5340 -0.0814 -0.0814 0.4194 0.4194 0.5400 0.5400 0.6761 0.6761 0.9461 0.9461 1.0134 1.0134 4.4138 4.4138 6.0370 6.0370 6.4434 6.4434 6.5133 6.5133 6.6987 6.6987 6.7294 6.7294 6.8671 6.8671 7.7902 7.7903 k = 0.4444 0.3336 0.1776 ( 7868 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0600 -35.0600 -17.9296 -17.9296 -17.9252 -17.9252 -17.5858 -17.5858 -17.5827 -17.5827 -17.4907 -17.4907 -17.4811 -17.4811 -16.3459 -16.3459 -15.9672 -15.9672 -15.8397 -15.8397 -11.3772 -11.3772 -11.2854 -11.2854 -0.5259 -0.5259 -0.0812 -0.0812 0.3984 0.3984 0.5305 0.5305 0.6639 0.6639 0.9245 0.9245 1.0092 1.0092 4.4448 4.4448 6.0394 6.0394 6.3921 6.3921 6.5279 6.5279 6.6866 6.6866 6.7709 6.7709 6.9049 6.9049 7.8198 7.8199 k = 0.4374 0.3546 0.1997 ( 7860 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0600 -35.0600 -17.9298 -17.9298 -17.9255 -17.9255 -17.5862 -17.5862 -17.5831 -17.5831 -17.4906 -17.4906 -17.4812 -17.4812 -16.3459 -16.3459 -15.9673 -15.9673 -15.8399 -15.8399 -11.3737 -11.3737 -11.2835 -11.2835 -0.5172 -0.5172 -0.0813 -0.0813 0.3755 0.3755 0.5192 0.5192 0.6519 0.6519 0.9023 0.9023 1.0041 1.0041 4.4780 4.4780 6.0217 6.0217 6.3602 6.3602 6.5432 6.5432 6.6733 6.6733 6.8184 6.8184 6.9465 6.9465 7.8529 7.8533 k = 0.4305 0.3757 0.2219 ( 7860 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0600 -35.0600 -17.9301 -17.9301 -17.9258 -17.9258 -17.5866 -17.5866 -17.5835 -17.5835 -17.4905 -17.4905 -17.4813 -17.4813 -16.3460 -16.3460 -15.9675 -15.9675 -15.8402 -15.8402 -11.3699 -11.3699 -11.2815 -11.2815 -0.5081 -0.5081 -0.0820 -0.0820 0.3509 0.3509 0.5061 0.5061 0.6403 0.6403 0.8797 0.8797 0.9981 0.9981 4.5132 4.5132 5.9780 5.9780 6.3543 6.3543 6.5590 6.5590 6.6588 6.6588 6.8715 6.8715 6.9914 6.9914 7.8894 7.8897 k = 0.4235 0.3968 0.2441 ( 7840 PWs) bands (ev): -36.6735 -36.6735 -36.6730 -36.6730 -35.0600 -35.0600 -17.9303 -17.9303 -17.9261 -17.9261 -17.5869 -17.5869 -17.5840 -17.5840 -17.4905 -17.4905 -17.4815 -17.4815 -16.3460 -16.3460 -15.9676 -15.9676 -15.8405 -15.8405 -11.3658 -11.3658 -11.2794 -11.2794 -0.4989 -0.4989 -0.0833 -0.0833 0.3250 0.3250 0.4915 0.4915 0.6296 0.6296 0.8574 0.8574 0.9912 0.9912 4.5497 4.5497 5.9128 5.9128 6.3706 6.3706 6.5754 6.5754 6.6432 6.6432 6.9298 6.9298 7.0389 7.0389 7.9297 7.9334 k = 0.4166 0.4179 0.2663 ( 7840 PWs) bands (ev): -36.6735 -36.6735 -36.6730 -36.6730 -35.0600 -35.0600 -17.9306 -17.9306 -17.9265 -17.9265 -17.5874 -17.5874 -17.5845 -17.5845 -17.4904 -17.4904 -17.4816 -17.4816 -16.3460 -16.3460 -15.9678 -15.9678 -15.8408 -15.8408 -11.3614 -11.3614 -11.2771 -11.2771 -0.4899 -0.4899 -0.0856 -0.0856 0.2983 0.2983 0.4756 0.4756 0.6199 0.6199 0.8354 0.8354 0.9834 0.9834 4.5871 4.5871 5.8343 5.8343 6.4012 6.4012 6.5924 6.5924 6.6266 6.6266 6.9928 6.9928 7.0881 7.0881 7.9699 7.9718 k = 0.4096 0.4389 0.2885 ( 7840 PWs) bands (ev): -36.6735 -36.6735 -36.6729 -36.6729 -35.0599 -35.0599 -17.9309 -17.9309 -17.9269 -17.9269 -17.5878 -17.5878 -17.5850 -17.5850 -17.4903 -17.4903 -17.4817 -17.4817 -16.3461 -16.3461 -15.9680 -15.9680 -15.8411 -15.8411 -11.3568 -11.3568 -11.2748 -11.2748 -0.4814 -0.4814 -0.0890 -0.0890 0.2714 0.2714 0.4592 0.4592 0.6113 0.6113 0.8141 0.8141 0.9746 0.9746 4.6251 4.6251 5.7485 5.7485 6.4406 6.4406 6.6075 6.6075 6.6118 6.6118 7.0598 7.0598 7.1381 7.1381 7.9835 7.9840 k = 0.4027 0.4600 0.3107 ( 7852 PWs) bands (ev): -36.6734 -36.6734 -36.6729 -36.6729 -35.0599 -35.0599 -17.9313 -17.9313 -17.9274 -17.9274 -17.5883 -17.5883 -17.5856 -17.5856 -17.4902 -17.4902 -17.4819 -17.4819 -16.3462 -16.3462 -15.9683 -15.9683 -15.8414 -15.8414 -11.3519 -11.3519 -11.2724 -11.2724 -0.4739 -0.4739 -0.0937 -0.0937 0.2448 0.2448 0.4429 0.4429 0.6036 0.6036 0.7935 0.7935 0.9649 0.9649 4.6632 4.6632 5.6591 5.6591 6.4855 6.4855 6.5909 6.5909 6.6288 6.6288 7.1301 7.1301 7.1881 7.1881 7.9966 7.9966 k = 0.3957 0.4811 0.3329 ( 7850 PWs) bands (ev): -36.6734 -36.6734 -36.6729 -36.6729 -35.0599 -35.0599 -17.9316 -17.9316 -17.9278 -17.9278 -17.5888 -17.5888 -17.5862 -17.5862 -17.4901 -17.4901 -17.4821 -17.4821 -16.3462 -16.3462 -15.9685 -15.9685 -15.8418 -15.8418 -11.3468 -11.3468 -11.2699 -11.2699 -0.4676 -0.4676 -0.1002 -0.1002 0.2192 0.2192 0.4276 0.4276 0.5968 0.5968 0.7737 0.7737 0.9543 0.9543 4.7011 4.7011 5.5680 5.5680 6.5340 6.5340 6.5725 6.5725 6.6478 6.6478 7.2033 7.2033 7.2371 7.2371 8.0106 8.0106 k = 0.3888 0.5022 0.3551 ( 7852 PWs) bands (ev): -36.6733 -36.6733 -36.6729 -36.6729 -35.0599 -35.0599 -17.9319 -17.9319 -17.9283 -17.9283 -17.5893 -17.5893 -17.5867 -17.5867 -17.4900 -17.4900 -17.4823 -17.4823 -16.3463 -16.3463 -15.9687 -15.9687 -15.8421 -15.8421 -11.3415 -11.3415 -11.2675 -11.2675 -0.4629 -0.4629 -0.1087 -0.1087 0.1956 0.1956 0.4138 0.4138 0.5908 0.5908 0.7547 0.7547 0.9428 0.9428 4.7385 4.7385 5.4768 5.4768 6.5534 6.5534 6.5852 6.5852 6.6676 6.6676 7.2783 7.2783 7.2844 7.2844 8.0256 8.0262 k = 0.3818 0.5232 0.3773 ( 7846 PWs) bands (ev): -36.6733 -36.6733 -36.6729 -36.6729 -35.0598 -35.0598 -17.9322 -17.9322 -17.9287 -17.9287 -17.5898 -17.5898 -17.5874 -17.5874 -17.4898 -17.4898 -17.4825 -17.4825 -16.3464 -16.3464 -15.9690 -15.9690 -15.8425 -15.8425 -11.3361 -11.3361 -11.2651 -11.2651 -0.4603 -0.4603 -0.1196 -0.1196 0.1748 0.1748 0.4021 0.4021 0.5853 0.5853 0.7366 0.7366 0.9304 0.9304 4.7751 4.7751 5.3862 5.3862 6.5344 6.5344 6.6375 6.6375 6.6881 6.6881 7.3296 7.3296 7.3547 7.3547 8.0420 8.0522 k = 0.3748 0.5443 0.3995 ( 7850 PWs) bands (ev): -36.6733 -36.6733 -36.6728 -36.6728 -35.0598 -35.0598 -17.9326 -17.9326 -17.9292 -17.9292 -17.5903 -17.5903 -17.5880 -17.5880 -17.4897 -17.4897 -17.4827 -17.4827 -16.3465 -16.3465 -15.9692 -15.9692 -15.8428 -15.8428 -11.3305 -11.3305 -11.2627 -11.2627 -0.4600 -0.4600 -0.1333 -0.1333 0.1578 0.1578 0.3929 0.3929 0.5803 0.5803 0.7194 0.7194 0.9171 0.9171 4.8106 4.8106 5.2971 5.2971 6.5154 6.5154 6.6904 6.6904 6.7096 6.7096 7.3727 7.3727 7.4312 7.4312 8.0498 8.0501 k = 0.3679 0.5654 0.4217 ( 7848 PWs) bands (ev): -36.6732 -36.6732 -36.6728 -36.6728 -35.0598 -35.0598 -17.9329 -17.9329 -17.9297 -17.9297 -17.5908 -17.5908 -17.5886 -17.5886 -17.4895 -17.4895 -17.4829 -17.4829 -16.3465 -16.3465 -15.9695 -15.9695 -15.8432 -15.8432 -11.3249 -11.3249 -11.2603 -11.2603 -0.4620 -0.4620 -0.1501 -0.1501 0.1454 0.1454 0.3861 0.3861 0.5756 0.5756 0.7032 0.7032 0.9031 0.9031 4.8448 4.8448 5.2099 5.2099 6.4964 6.4964 6.7295 6.7295 6.7459 6.7459 7.4139 7.4139 7.5070 7.5070 8.0402 8.0402 k = 0.3609 0.5865 0.4439 ( 7838 PWs) bands (ev): -36.6732 -36.6732 -36.6728 -36.6728 -35.0597 -35.0597 -17.9332 -17.9332 -17.9302 -17.9302 -17.5913 -17.5913 -17.5892 -17.5892 -17.4894 -17.4894 -17.4831 -17.4831 -16.3466 -16.3466 -15.9697 -15.9697 -15.8435 -15.8435 -11.3193 -11.3193 -11.2581 -11.2581 -0.4664 -0.4664 -0.1700 -0.1700 0.1382 0.1382 0.3818 0.3818 0.5709 0.5709 0.6881 0.6881 0.8882 0.8882 4.8775 4.8775 5.1252 5.1252 6.4778 6.4778 6.7526 6.7526 6.7984 6.7984 7.4537 7.4537 7.5809 7.5809 8.0313 8.0313 k = 0.3540 0.6076 0.4661 ( 7834 PWs) bands (ev): -36.6731 -36.6731 -36.6728 -36.6728 -35.0597 -35.0597 -17.9335 -17.9335 -17.9307 -17.9307 -17.5917 -17.5917 -17.5898 -17.5898 -17.4892 -17.4892 -17.4832 -17.4832 -16.3467 -16.3467 -15.9699 -15.9699 -15.8438 -15.8438 -11.3136 -11.3136 -11.2560 -11.2560 -0.4729 -0.4729 -0.1925 -0.1925 0.1359 0.1359 0.3798 0.3798 0.5661 0.5661 0.6743 0.6743 0.8726 0.8726 4.9085 4.9085 5.0434 5.0434 6.4595 6.4595 6.7758 6.7758 6.8503 6.8503 7.4930 7.4930 7.6513 7.6513 8.0238 8.0238 k = 0.3470 0.6286 0.4883 ( 7822 PWs) bands (ev): -36.6731 -36.6731 -36.6728 -36.6728 -35.0597 -35.0597 -17.9338 -17.9338 -17.9312 -17.9312 -17.5922 -17.5922 -17.5904 -17.5904 -17.4890 -17.4890 -17.4834 -17.4834 -16.3467 -16.3467 -15.9702 -15.9702 -15.8442 -15.8442 -11.3079 -11.3079 -11.2541 -11.2541 -0.4812 -0.4812 -0.2171 -0.2171 0.1383 0.1383 0.3800 0.3800 0.5607 0.5607 0.6622 0.6622 0.8565 0.8565 4.9370 4.9370 4.9653 4.9653 6.4419 6.4419 6.7997 6.7997 6.9006 6.9006 7.5325 7.5325 7.7163 7.7163 8.0190 8.0190 k = 0.3401 0.6497 0.5105 ( 7836 PWs) bands (ev): -36.6731 -36.6731 -36.6727 -36.6727 -35.0597 -35.0597 -17.9341 -17.9341 -17.9317 -17.9317 -17.5926 -17.5926 -17.5909 -17.5909 -17.4889 -17.4889 -17.4837 -17.4837 -16.3468 -16.3468 -15.9704 -15.9704 -15.8445 -15.8445 -11.3023 -11.3023 -11.2523 -11.2523 -0.4910 -0.4910 -0.2430 -0.2430 0.1447 0.1447 0.3820 0.3820 0.5543 0.5543 0.6521 0.6521 0.8397 0.8397 4.8891 4.8891 4.9653 4.9653 6.4250 6.4250 6.8243 6.8243 6.9484 6.9484 7.5732 7.5732 7.7727 7.7727 8.0187 8.0187 k = 0.3331 0.6708 0.5327 ( 7838 PWs) bands (ev): -36.6730 -36.6730 -36.6727 -36.6727 -35.0596 -35.0596 -17.9344 -17.9344 -17.9321 -17.9321 -17.5931 -17.5931 -17.5915 -17.5915 -17.4887 -17.4887 -17.4839 -17.4839 -16.3469 -16.3469 -15.9707 -15.9707 -15.8448 -15.8448 -11.2968 -11.2968 -11.2508 -11.2508 -0.5016 -0.5016 -0.2695 -0.2695 0.1543 0.1543 0.3857 0.3857 0.5466 0.5466 0.6444 0.6444 0.8226 0.8226 4.8180 4.8180 4.9903 4.9903 6.4089 6.4089 6.8496 6.8496 6.9934 6.9934 7.6156 7.6156 7.8163 7.8163 8.0268 8.0268 k = 0.3262 0.6919 0.5548 ( 7836 PWs) bands (ev): -36.6730 -36.6730 -36.6727 -36.6727 -35.0596 -35.0596 -17.9347 -17.9347 -17.9326 -17.9326 -17.5935 -17.5935 -17.5920 -17.5920 -17.4885 -17.4885 -17.4841 -17.4841 -16.3469 -16.3469 -15.9709 -15.9709 -15.8451 -15.8451 -11.2914 -11.2914 -11.2494 -11.2494 -0.5127 -0.5127 -0.2960 -0.2960 0.1663 0.1663 0.3908 0.3908 0.5372 0.5372 0.6393 0.6393 0.8052 0.8052 4.7510 4.7510 5.0132 5.0132 6.3938 6.3938 6.8758 6.8758 7.0349 7.0349 7.6604 7.6604 7.8430 7.8430 8.0463 8.0463 k = 0.3192 0.7129 0.5770 ( 7834 PWs) bands (ev): -36.6730 -36.6730 -36.6727 -36.6727 -35.0596 -35.0596 -17.9349 -17.9349 -17.9330 -17.9330 -17.5938 -17.5938 -17.5925 -17.5925 -17.4883 -17.4883 -17.4843 -17.4843 -16.3470 -16.3470 -15.9711 -15.9711 -15.8453 -15.8453 -11.2861 -11.2861 -11.2484 -11.2484 -0.5238 -0.5238 -0.3219 -0.3219 0.1801 0.1801 0.3969 0.3969 0.5263 0.5263 0.6368 0.6368 0.7877 0.7877 4.6884 4.6884 5.0339 5.0339 6.3797 6.3797 6.9026 6.9026 7.0728 7.0728 7.7074 7.7074 7.8533 7.8533 8.0764 8.0764 k = 0.3123 0.7340 0.5992 ( 7838 PWs) bands (ev): -36.6729 -36.6729 -36.6727 -36.6727 -35.0596 -35.0596 -17.9351 -17.9351 -17.9334 -17.9334 -17.5941 -17.5941 -17.5930 -17.5930 -17.4881 -17.4881 -17.4846 -17.4846 -16.3470 -16.3470 -15.9713 -15.9713 -15.8456 -15.8456 -11.2810 -11.2810 -11.2476 -11.2476 -0.5344 -0.5344 -0.3468 -0.3468 0.1948 0.1948 0.4040 0.4040 0.5138 0.5138 0.6368 0.6368 0.7703 0.7703 4.6306 4.6306 5.0523 5.0523 6.3668 6.3668 6.9302 6.9302 7.1069 7.1069 7.7561 7.7561 7.8525 7.8525 8.1116 8.1116 k = 0.3053 0.7551 0.6214 ( 7830 PWs) bands (ev): -36.6729 -36.6729 -36.6727 -36.6727 -35.0595 -35.0595 -17.9353 -17.9353 -17.9338 -17.9338 -17.5944 -17.5944 -17.5934 -17.5934 -17.4878 -17.4878 -17.4848 -17.4848 -16.3471 -16.3471 -15.9714 -15.9714 -15.8458 -15.8458 -11.2761 -11.2761 -11.2471 -11.2471 -0.5443 -0.5443 -0.3702 -0.3702 0.2100 0.2100 0.4117 0.4117 0.5001 0.5001 0.6389 0.6389 0.7533 0.7533 4.5777 4.5777 5.0686 5.0686 6.3551 6.3551 6.9585 6.9585 7.1374 7.1374 7.8034 7.8034 7.8480 7.8480 8.1468 8.1469 k = 0.2984 0.7762 0.6436 ( 7830 PWs) bands (ev): -36.6729 -36.6729 -36.6727 -36.6727 -35.0595 -35.0595 -17.9355 -17.9355 -17.9342 -17.9342 -17.5947 -17.5947 -17.5938 -17.5938 -17.4876 -17.4876 -17.4850 -17.4850 -16.3471 -16.3471 -15.9716 -15.9716 -15.8460 -15.8460 -11.2715 -11.2715 -11.2468 -11.2468 -0.5529 -0.5529 -0.3918 -0.3918 0.2250 0.2250 0.4199 0.4199 0.4854 0.4854 0.6428 0.6428 0.7369 0.7369 4.5301 4.5301 5.0826 5.0826 6.3448 6.3448 6.9872 6.9872 7.1643 7.1643 7.8216 7.8216 7.8694 7.8694 8.1786 8.1786 k = 0.2914 0.7972 0.6658 ( 7836 PWs) bands (ev): -36.6728 -36.6728 -36.6727 -36.6727 -35.0595 -35.0595 -17.9356 -17.9356 -17.9345 -17.9345 -17.5949 -17.5949 -17.5942 -17.5942 -17.4874 -17.4874 -17.4852 -17.4852 -16.3472 -16.3472 -15.9717 -15.9717 -15.8462 -15.8462 -11.2671 -11.2671 -11.2470 -11.2470 -0.5602 -0.5602 -0.4115 -0.4115 0.2391 0.2391 0.4283 0.4283 0.4702 0.4702 0.6483 0.6483 0.7214 0.7214 4.4879 4.4879 5.0946 5.0946 6.3358 6.3358 7.0163 7.0163 7.1878 7.1878 7.8104 7.8104 7.9179 7.9179 8.2046 8.2046 k = 0.2845 0.8183 0.6880 ( 7838 PWs) bands (ev): -36.6728 -36.6728 -36.6727 -36.6727 -35.0595 -35.0595 -17.9357 -17.9357 -17.9348 -17.9348 -17.5951 -17.5951 -17.5945 -17.5945 -17.4872 -17.4872 -17.4855 -17.4855 -16.3472 -16.3472 -15.9719 -15.9719 -15.8463 -15.8463 -11.2629 -11.2629 -11.2474 -11.2474 -0.5658 -0.5658 -0.4290 -0.4290 0.2517 0.2517 0.4362 0.4362 0.4553 0.4553 0.6551 0.6551 0.7071 0.7071 4.4514 4.4514 5.1045 5.1045 6.3283 6.3283 7.0454 7.0454 7.2081 7.2081 7.7949 7.7949 7.9679 7.9679 8.2235 8.2235 k = 0.2775 0.8394 0.7102 ( 7828 PWs) bands (ev): -36.6728 -36.6728 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9351 -17.9351 -17.5952 -17.5952 -17.5948 -17.5948 -17.4870 -17.4870 -17.4857 -17.4857 -16.3472 -16.3472 -15.9720 -15.9720 -15.8464 -15.8464 -11.2591 -11.2591 -11.2482 -11.2482 -0.5695 -0.5695 -0.4441 -0.4441 0.2620 0.2620 0.4364 0.4364 0.4484 0.4484 0.6628 0.6628 0.6945 0.6945 4.4208 4.4208 5.1125 5.1125 6.3222 6.3222 7.0741 7.0741 7.2253 7.2253 7.7784 7.7784 8.0157 8.0157 8.2342 8.2342 k = 0.2706 0.8605 0.7324 ( 7826 PWs) bands (ev): -36.6728 -36.6728 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9353 -17.9353 -17.5953 -17.5953 -17.5950 -17.5950 -17.4867 -17.4867 -17.4859 -17.4859 -16.3472 -16.3472 -15.9720 -15.9720 -15.8465 -15.8465 -11.2555 -11.2555 -11.2494 -11.2494 -0.5712 -0.5712 -0.4567 -0.4567 0.2687 0.2687 0.4240 0.4240 0.4549 0.4549 0.6707 0.6707 0.6845 0.6845 4.3961 4.3961 5.1187 5.1187 6.3177 6.3177 7.1021 7.1021 7.2394 7.2394 7.7618 7.7618 8.0594 8.0594 8.2363 8.2363 k = 0.2636 0.8815 0.7546 ( 7826 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9355 -17.9355 -17.5954 -17.5954 -17.5952 -17.5952 -17.4865 -17.4865 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2523 -11.2523 -11.2509 -11.2509 -0.5708 -0.5708 -0.4667 -0.4667 0.2705 0.2705 0.4130 0.4130 0.4623 0.4623 0.6711 0.6711 0.6847 0.6847 4.3777 4.3777 5.1233 5.1233 6.3148 6.3148 7.1286 7.1286 7.2504 7.2504 7.7455 7.7455 8.0976 8.0976 8.2301 8.2301 k = 0.2636 0.8815 0.7546 ( 7826 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9355 -17.9355 -17.5954 -17.5954 -17.5952 -17.5952 -17.4865 -17.4865 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2523 -11.2523 -11.2509 -11.2509 -0.5708 -0.5708 -0.4667 -0.4667 0.2705 0.2705 0.4130 0.4130 0.4623 0.4623 0.6711 0.6711 0.6847 0.6847 4.3777 4.3777 5.1233 5.1233 6.3148 6.3148 7.1286 7.1286 7.2504 7.2504 7.7455 7.7455 8.0976 8.0976 8.2301 8.2305 k = 0.2343 0.8770 0.7594 ( 7820 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9355 -17.9355 -17.5954 -17.5954 -17.5952 -17.5952 -17.4865 -17.4865 -17.4862 -17.4862 -16.3472 -16.3472 -15.9721 -15.9721 -15.8466 -15.8466 -11.2522 -11.2522 -11.2507 -11.2507 -0.5701 -0.5701 -0.4688 -0.4688 0.2701 0.2701 0.4107 0.4107 0.4641 0.4641 0.6689 0.6689 0.6876 0.6876 4.3744 4.3744 5.1242 5.1242 6.3144 6.3144 7.1347 7.1347 7.2523 7.2523 7.7408 7.7408 8.1052 8.1052 8.2266 8.2267 k = 0.2050 0.8724 0.7642 ( 7816 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9355 -17.9355 -17.5954 -17.5954 -17.5952 -17.5952 -17.4865 -17.4865 -17.4862 -17.4862 -16.3472 -16.3472 -15.9721 -15.9721 -15.8466 -15.8466 -11.2527 -11.2527 -11.2500 -11.2500 -0.5687 -0.5687 -0.4714 -0.4714 0.2693 0.2693 0.4079 0.4079 0.4664 0.4664 0.6657 0.6657 0.6918 0.6918 4.3712 4.3712 5.1252 5.1252 6.3141 6.3141 7.1417 7.1417 7.2540 7.2540 7.7336 7.7336 8.1128 8.1128 8.2211 8.2212 k = 0.1757 0.8678 0.7691 ( 7823 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9356 -17.9356 -17.5954 -17.5954 -17.5953 -17.5953 -17.4865 -17.4865 -17.4862 -17.4862 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2532 -11.2532 -11.2492 -11.2492 -0.5668 -0.5668 -0.4743 -0.4743 0.2684 0.2684 0.4049 0.4049 0.4687 0.4687 0.6626 0.6626 0.6962 0.6962 4.3682 4.3682 5.1263 5.1263 6.3139 6.3139 7.1494 7.1494 7.2554 7.2554 7.7246 7.7246 8.1204 8.1204 8.2144 8.2145 k = 0.1464 0.8632 0.7739 ( 7827 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9356 -17.9356 -17.5954 -17.5954 -17.5953 -17.5953 -17.4865 -17.4865 -17.4862 -17.4862 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2537 -11.2537 -11.2486 -11.2486 -0.5645 -0.5645 -0.4774 -0.4774 0.2676 0.2676 0.4021 0.4021 0.4709 0.4709 0.6597 0.6597 0.7003 0.7003 4.3654 4.3654 5.1274 5.1274 6.3138 6.3138 7.1572 7.1572 7.2564 7.2564 7.7146 7.7146 8.1277 8.1277 8.2073 8.2074 k = 0.1172 0.8586 0.7787 ( 7821 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9356 -17.9356 -17.5954 -17.5954 -17.5953 -17.5953 -17.4865 -17.4865 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2541 -11.2541 -11.2480 -11.2480 -0.5620 -0.5620 -0.4806 -0.4806 0.2669 0.2669 0.3994 0.3994 0.4729 0.4729 0.6573 0.6573 0.7040 0.7040 4.3630 4.3630 5.1284 5.1284 6.3137 6.3137 7.1649 7.1649 7.2569 7.2569 7.7045 7.7045 8.1347 8.1347 8.2004 8.2005 k = 0.0879 0.8541 0.7835 ( 7819 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9356 -17.9356 -17.5954 -17.5954 -17.5953 -17.5953 -17.4865 -17.4865 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2544 -11.2544 -11.2476 -11.2476 -0.5596 -0.5596 -0.4835 -0.4835 0.2663 0.2663 0.3973 0.3973 0.4744 0.4744 0.6553 0.6553 0.7071 0.7071 4.3611 4.3611 5.1293 5.1293 6.3137 6.3137 7.1718 7.1718 7.2571 7.2571 7.6954 7.6954 8.1411 8.1411 8.1940 8.1941 k = 0.0586 0.8495 0.7884 ( 7830 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9356 -17.9356 -17.5954 -17.5954 -17.5953 -17.5953 -17.4866 -17.4866 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2546 -11.2546 -11.2472 -11.2472 -0.5576 -0.5576 -0.4860 -0.4860 0.2659 0.2659 0.3956 0.3956 0.4756 0.4756 0.6539 0.6539 0.7093 0.7093 4.3596 4.3596 5.1299 5.1299 6.3136 6.3136 7.1774 7.1774 7.2571 7.2571 7.6881 7.6881 8.1468 8.1468 8.1884 8.1884 k = 0.0293 0.8449 0.7932 ( 7828 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9356 -17.9356 -17.5954 -17.5954 -17.5953 -17.5953 -17.4866 -17.4866 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2548 -11.2548 -11.2470 -11.2470 -0.5562 -0.5562 -0.4876 -0.4876 0.2657 0.2657 0.3946 0.3946 0.4763 0.4763 0.6531 0.6531 0.7107 0.7107 4.3587 4.3587 5.1304 5.1304 6.3136 6.3136 7.1811 7.1811 7.2569 7.2569 7.6834 7.6834 8.1509 8.1509 8.1843 8.1843 k = 0.0000 0.8403 0.7980 ( 7836 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9356 -17.9356 -17.5954 -17.5954 -17.5953 -17.5953 -17.4866 -17.4866 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2548 -11.2548 -11.2470 -11.2470 -0.5557 -0.5557 -0.4882 -0.4882 0.2656 0.2656 0.3942 0.3942 0.4765 0.4765 0.6528 0.6528 0.7112 0.7112 4.3584 4.3584 5.1305 5.1305 6.3136 6.3136 7.1824 7.1824 7.2568 7.2568 7.6818 7.6818 8.1525 8.1525 8.1827 8.1827 k = 0.0000 0.8403 0.7980 ( 7836 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9356 -17.9356 -17.5954 -17.5954 -17.5953 -17.5953 -17.4866 -17.4866 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2548 -11.2548 -11.2470 -11.2470 -0.5557 -0.5557 -0.4882 -0.4882 0.2656 0.2656 0.3942 0.3942 0.4765 0.4765 0.6528 0.6528 0.7112 0.7112 4.3584 4.3584 5.1305 5.1305 6.3136 6.3136 7.1824 7.1824 7.2568 7.2568 7.6818 7.6818 8.1525 8.1525 8.1827 8.1827 k = 0.0071 0.8187 0.8208 ( 7824 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9356 -17.9356 -17.5954 -17.5954 -17.5953 -17.5953 -17.4866 -17.4866 -17.4861 -17.4861 -16.3473 -16.3473 -15.9721 -15.9721 -15.8466 -15.8466 -11.2548 -11.2548 -11.2470 -11.2470 -0.5550 -0.5550 -0.4875 -0.4875 0.2657 0.2657 0.3938 0.3938 0.4764 0.4764 0.6522 0.6522 0.7110 0.7110 4.3598 4.3598 5.1312 5.1312 6.3098 6.3098 7.1846 7.1846 7.2559 7.2559 7.6778 7.6778 8.1540 8.1540 8.1789 8.1789 k = 0.0143 0.7970 0.8436 ( 7826 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9356 -17.9356 -17.5955 -17.5955 -17.5954 -17.5954 -17.4866 -17.4866 -17.4861 -17.4861 -16.3473 -16.3473 -15.9722 -15.9722 -15.8467 -15.8467 -11.2549 -11.2549 -11.2470 -11.2470 -0.5528 -0.5528 -0.4855 -0.4855 0.2660 0.2660 0.3927 0.3927 0.4758 0.4758 0.6505 0.6505 0.7103 0.7103 4.3638 4.3638 5.1332 5.1332 6.2983 6.2983 7.1912 7.1912 7.2531 7.2531 7.6662 7.6662 8.1580 8.1580 8.1711 8.1711 k = 0.0214 0.7754 0.8664 ( 7826 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9358 -17.9358 -17.9357 -17.9357 -17.5955 -17.5955 -17.5954 -17.5954 -17.4866 -17.4866 -17.4861 -17.4861 -16.3473 -16.3473 -15.9722 -15.9722 -15.8468 -15.8468 -11.2549 -11.2549 -11.2471 -11.2471 -0.5493 -0.5493 -0.4822 -0.4822 0.2663 0.2663 0.3908 0.3908 0.4750 0.4750 0.6477 0.6477 0.7092 0.7092 4.3704 4.3704 5.1366 5.1366 6.2797 6.2797 7.2018 7.2018 7.2484 7.2484 7.6475 7.6475 8.1600 8.1600 8.1675 8.1675 k = 0.0286 0.7537 0.8892 ( 7824 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0595 -35.0595 -17.9359 -17.9359 -17.9357 -17.9357 -17.5955 -17.5955 -17.5955 -17.5955 -17.4866 -17.4866 -17.4861 -17.4861 -16.3473 -16.3473 -15.9722 -15.9722 -15.8469 -15.8469 -11.2550 -11.2550 -11.2471 -11.2471 -0.5444 -0.5444 -0.4777 -0.4777 0.2667 0.2667 0.3881 0.3881 0.4738 0.4738 0.6440 0.6440 0.7078 0.7078 4.3796 4.3796 5.1413 5.1413 6.2543 6.2543 7.2162 7.2162 7.2419 7.2419 7.6224 7.6224 8.1525 8.1525 8.1763 8.1763 k = 0.0357 0.7320 0.9120 ( 7816 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0594 -35.0594 -17.9359 -17.9359 -17.9357 -17.9357 -17.5956 -17.5956 -17.5955 -17.5955 -17.4866 -17.4866 -17.4861 -17.4861 -16.3473 -16.3473 -15.9723 -15.9723 -15.8471 -15.8471 -11.2551 -11.2551 -11.2472 -11.2472 -0.5382 -0.5382 -0.4718 -0.4718 0.2672 0.2672 0.3845 0.3845 0.4724 0.4724 0.6394 0.6394 0.7062 0.7062 4.3914 4.3914 5.1474 5.1474 6.2229 6.2229 7.2301 7.2301 7.2369 7.2369 7.5920 7.5920 8.1447 8.1447 8.1886 8.1886 k = 0.0429 0.7104 0.9348 ( 7820 PWs) bands (ev): -36.6727 -36.6727 -36.6727 -36.6727 -35.0594 -35.0594 -17.9359 -17.9359 -17.9357 -17.9357 -17.5957 -17.5957 -17.5956 -17.5956 -17.4866 -17.4866 -17.4861 -17.4861 -16.3474 -16.3474 -15.9724 -15.9724 -15.8472 -15.8472 -11.2552 -11.2552 -11.2474 -11.2474 -0.5307 -0.5307 -0.4648 -0.4648 0.2676 0.2676 0.3800 0.3800 0.4707 0.4707 0.6341 0.6341 0.7043 0.7043 4.4056 4.4056 5.1548 5.1548 6.1861 6.1861 7.2213 7.2213 7.2552 7.2552 7.5572 7.5572 8.1374 8.1374 8.2032 8.2032 k = 0.0500 0.6887 0.9576 ( 7830 PWs) bands (ev): -36.6726 -36.6726 -36.6726 -36.6726 -35.0594 -35.0594 -17.9360 -17.9360 -17.9358 -17.9358 -17.5958 -17.5958 -17.5957 -17.5957 -17.4867 -17.4867 -17.4861 -17.4861 -16.3474 -16.3474 -15.9724 -15.9724 -15.8475 -15.8475 -11.2553 -11.2553 -11.2475 -11.2475 -0.5220 -0.5220 -0.4567 -0.4567 0.2679 0.2679 0.3746 0.3746 0.4687 0.4687 0.6284 0.6284 0.7024 0.7024 4.4221 4.4221 5.1635 5.1635 6.1448 6.1448 7.2083 7.2083 7.2773 7.2773 7.5195 7.5195 8.1305 8.1305 8.2198 8.2198 k = 0.0571 0.6671 0.9804 ( 7842 PWs) bands (ev): -36.6726 -36.6726 -36.6726 -36.6726 -35.0594 -35.0594 -17.9361 -17.9361 -17.9359 -17.9359 -17.5960 -17.5960 -17.5959 -17.5959 -17.4867 -17.4867 -17.4862 -17.4862 -16.3475 -16.3475 -15.9725 -15.9725 -15.8477 -15.8477 -11.2555 -11.2555 -11.2476 -11.2476 -0.5121 -0.5121 -0.4475 -0.4475 0.2678 0.2678 0.3684 0.3684 0.4665 0.4665 0.6224 0.6224 0.7004 0.7004 4.4408 4.4408 5.1735 5.1735 6.0996 6.0996 7.1930 7.1930 7.2998 7.2998 7.4808 7.4808 8.1239 8.1239 8.2381 8.2381 k = 0.0643 0.6454 1.0032 ( 7836 PWs) bands (ev): -36.6726 -36.6726 -36.6726 -36.6726 -35.0594 -35.0594 -17.9362 -17.9362 -17.9359 -17.9359 -17.5961 -17.5961 -17.5960 -17.5960 -17.4867 -17.4867 -17.4862 -17.4862 -16.3475 -16.3475 -15.9726 -15.9726 -15.8480 -15.8480 -11.2556 -11.2556 -11.2478 -11.2478 -0.5012 -0.5012 -0.4373 -0.4373 0.2673 0.2673 0.3615 0.3615 0.4640 0.4640 0.6164 0.6164 0.6984 0.6984 4.4617 4.4617 5.1848 5.1848 6.0512 6.0512 7.1755 7.1755 7.3187 7.3187 7.4454 7.4454 8.1173 8.1173 8.2576 8.2576 k = 0.0714 0.6238 1.0260 ( 7830 PWs) bands (ev): -36.6726 -36.6726 -36.6726 -36.6726 -35.0594 -35.0594 -17.9363 -17.9363 -17.9360 -17.9360 -17.5962 -17.5962 -17.5961 -17.5961 -17.4867 -17.4867 -17.4862 -17.4862 -16.3475 -16.3475 -15.9727 -15.9727 -15.8483 -15.8483 -11.2558 -11.2558 -11.2480 -11.2480 -0.4893 -0.4893 -0.4262 -0.4262 0.2661 0.2661 0.3541 0.3541 0.4613 0.4613 0.6107 0.6107 0.6966 0.6966 4.4845 4.4845 5.1974 5.1974 6.0004 6.0004 7.1559 7.1559 7.3225 7.3225 7.4249 7.4249 8.1104 8.1104 8.2780 8.2780 k = 0.0786 0.6021 1.0488 ( 7832 PWs) bands (ev): -36.6726 -36.6726 -36.6725 -36.6725 -35.0593 -35.0593 -17.9363 -17.9363 -17.9361 -17.9361 -17.5964 -17.5964 -17.5963 -17.5963 -17.4867 -17.4867 -17.4862 -17.4862 -16.3476 -16.3476 -15.9729 -15.9729 -15.8486 -15.8486 -11.2560 -11.2560 -11.2482 -11.2482 -0.4765 -0.4765 -0.4143 -0.4143 0.2641 0.2641 0.3465 0.3465 0.4582 0.4582 0.6053 0.6053 0.6948 0.6948 4.5090 4.5090 5.2111 5.2111 5.9477 5.9477 7.1344 7.1344 7.2992 7.2992 7.4317 7.4317 8.1028 8.1028 8.2985 8.2985 k = 0.0857 0.5805 1.0716 ( 7828 PWs) bands (ev): -36.6725 -36.6725 -36.6725 -36.6725 -35.0593 -35.0593 -17.9364 -17.9364 -17.9361 -17.9361 -17.5966 -17.5966 -17.5965 -17.5965 -17.4868 -17.4868 -17.4862 -17.4862 -16.3476 -16.3476 -15.9730 -15.9730 -15.8489 -15.8489 -11.2562 -11.2562 -11.2484 -11.2484 -0.4630 -0.4630 -0.4017 -0.4017 0.2609 0.2609 0.3389 0.3389 0.4549 0.4549 0.6005 0.6005 0.6933 0.6933 4.5352 4.5352 5.2261 5.2261 5.8937 5.8937 7.1109 7.1109 7.2598 7.2598 7.4548 7.4548 8.0944 8.0944 8.3180 8.3182 k = 0.0929 0.5588 1.0944 ( 7834 PWs) bands (ev): -36.6725 -36.6725 -36.6725 -36.6725 -35.0593 -35.0593 -17.9365 -17.9365 -17.9362 -17.9362 -17.5967 -17.5967 -17.5966 -17.5966 -17.4868 -17.4868 -17.4862 -17.4862 -16.3477 -16.3477 -15.9731 -15.9731 -15.8492 -15.8492 -11.2564 -11.2564 -11.2486 -11.2486 -0.4489 -0.4489 -0.3885 -0.3885 0.2563 0.2563 0.3318 0.3318 0.4514 0.4514 0.5964 0.5964 0.6918 0.6918 4.5628 4.5628 5.2422 5.2422 5.8389 5.8389 7.0858 7.0858 7.2148 7.2148 7.4839 7.4839 8.0848 8.0848 8.3343 8.3377 k = 0.1000 0.5372 1.1172 ( 7836 PWs) bands (ev): -36.6725 -36.6725 -36.6725 -36.6725 -35.0593 -35.0593 -17.9366 -17.9366 -17.9363 -17.9363 -17.5969 -17.5969 -17.5968 -17.5968 -17.4868 -17.4868 -17.4863 -17.4863 -16.3478 -16.3478 -15.9733 -15.9733 -15.8496 -15.8496 -11.2567 -11.2567 -11.2488 -11.2488 -0.4344 -0.4344 -0.3750 -0.3750 0.2504 0.2504 0.3254 0.3254 0.4477 0.4477 0.5931 0.5931 0.6905 0.6905 4.5916 4.5916 5.2595 5.2595 5.7837 5.7837 7.0593 7.0593 7.1680 7.1680 7.5153 7.5153 8.0740 8.0740 8.3438 8.3442 k = 0.1071 0.5155 1.1400 ( 7842 PWs) bands (ev): -36.6724 -36.6724 -36.6724 -36.6724 -35.0592 -35.0592 -17.9367 -17.9367 -17.9364 -17.9364 -17.5971 -17.5971 -17.5970 -17.5970 -17.4868 -17.4868 -17.4863 -17.4863 -16.3478 -16.3478 -15.9734 -15.9734 -15.8500 -15.8500 -11.2569 -11.2569 -11.2490 -11.2490 -0.4196 -0.4196 -0.3612 -0.3612 0.2433 0.2433 0.3197 0.3197 0.4441 0.4441 0.5904 0.5904 0.6893 0.6893 4.6215 4.6215 5.2777 5.2777 5.7287 5.7287 7.0315 7.0315 7.1209 7.1209 7.5475 7.5475 8.0619 8.0619 8.3417 8.3418 k = 0.1143 0.4939 1.1628 ( 7840 PWs) bands (ev): -36.6724 -36.6724 -36.6724 -36.6724 -35.0592 -35.0592 -17.9369 -17.9369 -17.9365 -17.9365 -17.5973 -17.5973 -17.5972 -17.5972 -17.4868 -17.4868 -17.4863 -17.4863 -16.3479 -16.3479 -15.9736 -15.9736 -15.8503 -15.8503 -11.2571 -11.2571 -11.2493 -11.2493 -0.4048 -0.4048 -0.3473 -0.3473 0.2352 0.2352 0.3148 0.3148 0.4405 0.4405 0.5885 0.5885 0.6882 0.6882 4.6521 4.6521 5.2970 5.2970 5.6742 5.6742 7.0027 7.0027 7.0743 7.0743 7.5800 7.5800 8.0488 8.0488 8.3274 8.3274 k = 0.1214 0.4722 1.1856 ( 7840 PWs) bands (ev): -36.6724 -36.6724 -36.6724 -36.6724 -35.0592 -35.0592 -17.9370 -17.9370 -17.9366 -17.9366 -17.5975 -17.5975 -17.5974 -17.5974 -17.4868 -17.4868 -17.4863 -17.4863 -16.3480 -16.3480 -15.9738 -15.9738 -15.8507 -15.8507 -11.2573 -11.2573 -11.2495 -11.2495 -0.3900 -0.3900 -0.3334 -0.3334 0.2267 0.2267 0.3107 0.3107 0.4370 0.4370 0.5871 0.5871 0.6872 0.6872 4.6833 4.6833 5.3172 5.3172 5.6205 5.6205 6.9730 6.9730 7.0285 7.0285 7.6122 7.6122 8.0348 8.0348 8.3038 8.3039 k = 0.1286 0.4506 1.2084 ( 7832 PWs) bands (ev): -36.6724 -36.6724 -36.6723 -36.6723 -35.0591 -35.0591 -17.9371 -17.9371 -17.9368 -17.9368 -17.5977 -17.5977 -17.5976 -17.5976 -17.4868 -17.4868 -17.4863 -17.4863 -16.3480 -16.3480 -15.9739 -15.9739 -15.8510 -15.8510 -11.2576 -11.2576 -11.2497 -11.2497 -0.3756 -0.3756 -0.3199 -0.3199 0.2182 0.2182 0.3072 0.3072 0.4337 0.4337 0.5862 0.5862 0.6862 0.6862 4.7148 4.7148 5.3381 5.3381 5.5681 5.5681 6.9427 6.9427 6.9841 6.9841 7.6437 7.6437 8.0201 8.0201 8.2742 8.2742 k = 0.1357 0.4289 1.2312 ( 7828 PWs) bands (ev): -36.6723 -36.6723 -36.6723 -36.6723 -35.0591 -35.0591 -17.9372 -17.9372 -17.9369 -17.9369 -17.5978 -17.5978 -17.5977 -17.5977 -17.4868 -17.4868 -17.4863 -17.4863 -16.3481 -16.3481 -15.9741 -15.9741 -15.8514 -15.8514 -11.2578 -11.2578 -11.2500 -11.2500 -0.3617 -0.3617 -0.3069 -0.3069 0.2102 0.2102 0.3043 0.3043 0.4305 0.4305 0.5857 0.5857 0.6852 0.6852 4.7465 4.7465 5.3597 5.3597 5.5172 5.5172 6.9119 6.9119 6.9413 6.9413 7.6744 7.6744 8.0050 8.0050 8.2405 8.2405 k = 0.1429 0.4073 1.2540 ( 7826 PWs) bands (ev): -36.6723 -36.6723 -36.6723 -36.6723 -35.0591 -35.0591 -17.9373 -17.9373 -17.9370 -17.9370 -17.5980 -17.5980 -17.5979 -17.5979 -17.4868 -17.4868 -17.4863 -17.4863 -16.3482 -16.3482 -15.9742 -15.9742 -15.8517 -15.8517 -11.2581 -11.2581 -11.2502 -11.2502 -0.3485 -0.3485 -0.2945 -0.2945 0.2031 0.2031 0.3021 0.3021 0.4273 0.4273 0.5855 0.5855 0.6841 0.6841 4.7780 4.7780 5.3818 5.3818 5.4681 5.4681 6.8807 6.8807 6.9006 6.9006 7.7038 7.7038 7.9898 7.9898 8.2043 8.2043 k = 0.1500 0.3856 1.2768 ( 7826 PWs) bands (ev): -36.6723 -36.6723 -36.6723 -36.6723 -35.0591 -35.0591 -17.9374 -17.9374 -17.9371 -17.9371 -17.5982 -17.5982 -17.5981 -17.5981 -17.4868 -17.4868 -17.4864 -17.4864 -16.3482 -16.3482 -15.9744 -15.9744 -15.8521 -15.8521 -11.2583 -11.2583 -11.2504 -11.2504 -0.3361 -0.3361 -0.2831 -0.2831 0.1974 0.1974 0.3007 0.3007 0.4240 0.4240 0.5855 0.5855 0.6830 0.6830 4.8091 4.8091 5.4034 5.4034 5.4220 5.4220 6.8492 6.8492 6.8623 6.8623 7.7316 7.7316 7.9748 7.9748 8.1670 8.1670 k = 0.1571 0.3640 1.2996 ( 7832 PWs) bands (ev): -36.6722 -36.6722 -36.6722 -36.6722 -35.0590 -35.0590 -17.9375 -17.9375 -17.9372 -17.9372 -17.5984 -17.5984 -17.5983 -17.5983 -17.4868 -17.4868 -17.4864 -17.4864 -16.3483 -16.3483 -15.9746 -15.9746 -15.8524 -15.8524 -11.2585 -11.2585 -11.2507 -11.2507 -0.3247 -0.3247 -0.2729 -0.2729 0.1934 0.1934 0.3002 0.3002 0.4205 0.4205 0.5855 0.5855 0.6819 0.6819 4.8396 4.8396 5.3755 5.3755 5.4276 5.4276 6.8170 6.8170 6.8271 6.8271 7.7573 7.7573 7.9602 7.9602 8.1297 8.1297 k = 0.1643 0.3423 1.3224 ( 7834 PWs) bands (ev): -36.6722 -36.6722 -36.6722 -36.6722 -35.0590 -35.0590 -17.9376 -17.9376 -17.9373 -17.9373 -17.5986 -17.5986 -17.5985 -17.5985 -17.4868 -17.4868 -17.4864 -17.4864 -16.3484 -16.3484 -15.9747 -15.9747 -15.8527 -15.8527 -11.2587 -11.2587 -11.2509 -11.2509 -0.3143 -0.3143 -0.2640 -0.2640 0.1914 0.1914 0.3005 0.3005 0.4166 0.4166 0.5856 0.5856 0.6807 0.6807 4.8693 4.8693 5.3334 5.3334 5.4500 5.4500 6.7846 6.7846 6.7952 6.7952 7.7800 7.7800 7.9459 7.9460 8.0942 8.0942 k = 0.1714 0.3206 1.3452 ( 7824 PWs) bands (ev): -36.6722 -36.6722 -36.6722 -36.6722 -35.0590 -35.0590 -17.9377 -17.9377 -17.9375 -17.9375 -17.5987 -17.5987 -17.5986 -17.5986 -17.4868 -17.4868 -17.4864 -17.4864 -16.3484 -16.3484 -15.9749 -15.9749 -15.8530 -15.8530 -11.2589 -11.2589 -11.2511 -11.2511 -0.3050 -0.3050 -0.2566 -0.2566 0.1916 0.1916 0.3018 0.3018 0.4122 0.4122 0.5856 0.5856 0.6795 0.6795 4.8978 4.8978 5.2938 5.2938 5.4721 5.4721 6.7533 6.7533 6.7654 6.7654 7.7987 7.7987 7.9321 7.9321 8.0623 8.0623 k = 0.1786 0.2990 1.3680 ( 7828 PWs) bands (ev): -36.6722 -36.6722 -36.6722 -36.6722 -35.0590 -35.0590 -17.9378 -17.9378 -17.9376 -17.9376 -17.5989 -17.5989 -17.5988 -17.5988 -17.4868 -17.4868 -17.4864 -17.4864 -16.3485 -16.3485 -15.9750 -15.9750 -15.8533 -15.8533 -11.2591 -11.2591 -11.2513 -11.2513 -0.2967 -0.2967 -0.2507 -0.2507 0.1939 0.1939 0.3039 0.3039 0.4071 0.4071 0.5855 0.5855 0.6782 0.6782 4.9251 4.9251 5.2570 5.2570 5.4937 5.4937 6.7240 6.7240 6.7374 6.7374 7.8113 7.8113 7.9184 7.9184 8.0368 8.0368 k = 0.1857 0.2773 1.3908 ( 7824 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9379 -17.9379 -17.9377 -17.9377 -17.5990 -17.5990 -17.5989 -17.5989 -17.4868 -17.4868 -17.4864 -17.4864 -16.3485 -16.3485 -15.9752 -15.9752 -15.8536 -15.8536 -11.2593 -11.2593 -11.2515 -11.2515 -0.2895 -0.2895 -0.2464 -0.2464 0.1986 0.1986 0.3068 0.3068 0.4012 0.4012 0.5853 0.5853 0.6770 0.6770 4.9508 4.9508 5.2232 5.2232 5.5143 5.5143 6.6971 6.6971 6.7112 6.7112 7.8158 7.8158 7.9046 7.9046 8.0203 8.0203 k = 0.1929 0.2557 1.4136 ( 7828 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9380 -17.9380 -17.9378 -17.9378 -17.5991 -17.5991 -17.5990 -17.5990 -17.4868 -17.4868 -17.4864 -17.4864 -16.3486 -16.3486 -15.9753 -15.9753 -15.8538 -15.8538 -11.2595 -11.2595 -11.2516 -11.2516 -0.2833 -0.2833 -0.2435 -0.2435 0.2053 0.2053 0.3103 0.3103 0.3946 0.3946 0.5849 0.5849 0.6758 0.6758 4.9747 4.9747 5.1926 5.1926 5.5336 5.5336 6.6727 6.6727 6.6868 6.6868 7.8111 7.8111 7.8903 7.8903 8.0144 8.0144 k = 0.2000 0.2340 1.4364 ( 7820 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9380 -17.9380 -17.9379 -17.9379 -17.5992 -17.5992 -17.5991 -17.5991 -17.4868 -17.4868 -17.4864 -17.4864 -16.3486 -16.3486 -15.9754 -15.9754 -15.8540 -15.8540 -11.2596 -11.2596 -11.2518 -11.2518 -0.2778 -0.2778 -0.2420 -0.2420 0.2139 0.2139 0.3142 0.3142 0.3870 0.3870 0.5844 0.5844 0.6747 0.6747 4.9965 4.9965 5.1653 5.1653 5.5514 5.5514 6.6509 6.6509 6.6647 6.6647 7.7989 7.7989 7.8756 7.8756 8.0178 8.0180 k = 0.2071 0.2124 1.4592 ( 7816 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9381 -17.9381 -17.9379 -17.9379 -17.5993 -17.5993 -17.5992 -17.5992 -17.4868 -17.4868 -17.4864 -17.4864 -16.3487 -16.3487 -15.9755 -15.9755 -15.8542 -15.8542 -11.2597 -11.2597 -11.2519 -11.2519 -0.2731 -0.2731 -0.2416 -0.2416 0.2241 0.2241 0.3182 0.3182 0.3787 0.3787 0.5837 0.5837 0.6737 0.6737 5.0161 5.0161 5.1414 5.1414 5.5674 5.5674 6.6319 6.6319 6.6452 6.6452 7.7825 7.7825 7.8607 7.8607 8.0276 8.0278 k = 0.2143 0.1907 1.4820 ( 7818 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9381 -17.9381 -17.9380 -17.9380 -17.5994 -17.5994 -17.5993 -17.5993 -17.4868 -17.4868 -17.4864 -17.4864 -16.3487 -16.3487 -15.9756 -15.9756 -15.8543 -15.8543 -11.2599 -11.2599 -11.2520 -11.2520 -0.2689 -0.2689 -0.2422 -0.2422 0.2356 0.2356 0.3219 0.3219 0.3696 0.3696 0.5829 0.5829 0.6728 0.6728 5.0332 5.0332 5.1210 5.1210 5.5812 5.5812 6.6155 6.6155 6.6283 6.6283 7.7652 7.7652 7.8463 7.8463 8.0407 8.0423 k = 0.2214 0.1691 1.5048 ( 7816 PWs) bands (ev): -36.6721 -36.6721 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9381 -17.9381 -17.5995 -17.5995 -17.5994 -17.5994 -17.4867 -17.4867 -17.4864 -17.4864 -16.3487 -16.3487 -15.9757 -15.9757 -15.8545 -15.8545 -11.2600 -11.2600 -11.2521 -11.2521 -0.2652 -0.2652 -0.2434 -0.2434 0.2481 0.2481 0.3247 0.3247 0.3603 0.3603 0.5821 0.5821 0.6720 0.6720 5.0476 5.0476 5.1042 5.1042 5.5928 5.5928 6.6020 6.6020 6.6144 6.6144 7.7490 7.7490 7.8332 7.8332 8.0532 8.0548 k = 0.2286 0.1474 1.5276 ( 7822 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9381 -17.9381 -17.5995 -17.5995 -17.5994 -17.5994 -17.4868 -17.4868 -17.4864 -17.4864 -16.3488 -16.3488 -15.9757 -15.9757 -15.8546 -15.8546 -11.2600 -11.2600 -11.2522 -11.2522 -0.2618 -0.2618 -0.2452 -0.2452 0.2612 0.2612 0.3255 0.3255 0.3516 0.3516 0.5814 0.5814 0.6715 0.6715 5.0590 5.0590 5.0911 5.0911 5.6019 5.6019 6.5912 6.5912 6.6036 6.6036 7.7355 7.7355 7.8223 7.8223 8.0650 8.0679 k = 0.2357 0.1258 1.5504 ( 7818 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9382 -17.9382 -17.5995 -17.5995 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8546 -15.8546 -11.2601 -11.2601 -11.2522 -11.2522 -0.2588 -0.2588 -0.2474 -0.2474 0.2744 0.2744 0.3222 0.3222 0.3457 0.3457 0.5808 0.5808 0.6710 0.6710 5.0672 5.0672 5.0817 5.0817 5.6085 5.6085 6.5835 6.5835 6.5959 6.5959 7.7253 7.7253 7.8140 7.8140 8.0750 8.0754 k = 0.2429 0.1041 1.5732 ( 7822 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2560 -0.2560 -0.2497 -0.2497 0.2873 0.2873 0.3142 0.3142 0.3435 0.3435 0.5804 0.5804 0.6708 0.6708 5.0720 5.0720 5.0764 5.0764 5.6125 5.6125 6.5788 6.5788 6.5913 6.5913 7.7191 7.7191 7.8089 7.8089 8.0829 8.0874 k = 0.2500 0.0825 1.5960 ( 7824 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2542 -0.2542 -0.2513 -0.2513 0.2957 0.2957 0.3071 0.3071 0.3431 0.3431 0.5802 0.5802 0.6707 0.6707 5.0728 5.0728 5.0754 5.0754 5.6138 5.6138 6.5772 6.5772 6.5897 6.5897 7.7169 7.7169 7.8072 7.8072 8.0858 8.0871 k = 0.2500 0.0825 1.5960 ( 7824 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2542 -0.2542 -0.2513 -0.2513 0.2957 0.2957 0.3071 0.3071 0.3431 0.3431 0.5802 0.5802 0.6707 0.6707 5.0728 5.0728 5.0754 5.0754 5.6138 5.6138 6.5772 6.5772 6.5897 6.5897 7.7169 7.7169 7.8072 7.8072 8.0857 8.0859 k = 0.2778 0.0916 1.5864 ( 7820 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2545 -0.2545 -0.2510 -0.2510 0.2938 0.2938 0.3087 0.3087 0.3431 0.3431 0.5808 0.5808 0.6702 0.6702 5.0595 5.0595 5.0893 5.0893 5.6139 5.6139 6.5255 6.5255 6.6458 6.6458 7.7091 7.7091 7.8138 7.8138 8.0078 8.0078 k = 0.3056 0.1008 1.5767 ( 7813 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2551 -0.2551 -0.2505 -0.2505 0.2896 0.2896 0.3123 0.3123 0.3434 0.3434 0.5824 0.5824 0.6689 0.6689 5.0464 5.0464 5.1041 5.1041 5.6143 5.6143 6.4730 6.4730 6.7115 6.7115 7.6911 7.6911 7.8285 7.8285 7.9206 7.9206 k = 0.3333 0.1100 1.5671 ( 7811 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2558 -0.2558 -0.2498 -0.2498 0.2845 0.2845 0.3161 0.3161 0.3440 0.3440 0.5850 0.5850 0.6666 0.6666 5.0347 5.0347 5.1183 5.1183 5.6145 5.6145 6.4265 6.4265 6.7804 6.7804 7.6698 7.6698 7.8316 7.8316 7.8465 7.8465 k = 0.3611 0.1191 1.5574 ( 7813 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9383 -17.9383 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2566 -0.2566 -0.2490 -0.2490 0.2788 0.2788 0.3196 0.3196 0.3451 0.3451 0.5885 0.5885 0.6637 0.6637 5.0246 5.0246 5.1315 5.1315 5.6143 5.6143 6.3869 6.3869 6.8515 6.8515 7.6490 7.6490 7.7464 7.7464 7.8605 7.8605 k = 0.3889 0.1283 1.5478 ( 7811 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2600 -11.2600 -11.2524 -11.2524 -0.2574 -0.2574 -0.2482 -0.2482 0.2728 0.2728 0.3225 0.3225 0.3469 0.3469 0.5926 0.5926 0.6603 0.6603 5.0164 5.0164 5.1430 5.1430 5.6133 5.6133 6.3551 6.3551 6.9240 6.9240 7.6308 7.6308 7.6620 7.6620 7.8732 7.8732 k = 0.4167 0.1375 1.5381 ( 7809 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9382 -17.9382 -17.5995 -17.5995 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9757 -15.9757 -15.8546 -15.8546 -11.2599 -11.2599 -11.2524 -11.2524 -0.2582 -0.2582 -0.2474 -0.2474 0.2667 0.2667 0.3246 0.3246 0.3494 0.3494 0.5969 0.5969 0.6566 0.6566 5.0102 5.0102 5.1522 5.1522 5.6113 5.6113 6.3318 6.3318 6.9962 6.9962 7.5807 7.5807 7.6172 7.6172 7.8831 7.8831 k = 0.4444 0.1466 1.5285 ( 7807 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9382 -17.9382 -17.5995 -17.5995 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9757 -15.9757 -15.8546 -15.8546 -11.2599 -11.2599 -11.2525 -11.2525 -0.2591 -0.2591 -0.2466 -0.2466 0.2606 0.2606 0.3261 0.3261 0.3524 0.3524 0.6010 0.6010 0.6533 0.6533 5.0060 5.0060 5.1586 5.1586 5.6082 5.6082 6.3174 6.3174 7.0647 7.0647 7.5065 7.5065 7.6084 7.6084 7.8900 7.8900 k = 0.4722 0.1558 1.5188 ( 7801 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9381 -17.9381 -17.5995 -17.5995 -17.5994 -17.5994 -17.4867 -17.4867 -17.4864 -17.4864 -16.3487 -16.3487 -15.9757 -15.9757 -15.8546 -15.8546 -11.2598 -11.2598 -11.2525 -11.2525 -0.2600 -0.2600 -0.2457 -0.2457 0.2546 0.2546 0.3273 0.3273 0.3556 0.3556 0.6043 0.6043 0.6508 0.6508 5.0041 5.0041 5.1618 5.1618 5.6041 5.6041 6.3121 6.3121 7.1211 7.1211 7.4475 7.4475 7.6057 7.6057 7.8937 7.8937 k = 0.5000 0.1649 1.5092 ( 7818 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9381 -17.9381 -17.5995 -17.5995 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9757 -15.9757 -15.8546 -15.8546 -11.2597 -11.2597 -11.2526 -11.2526 -0.2609 -0.2609 -0.2448 -0.2448 0.2488 0.2488 0.3282 0.3282 0.3587 0.3587 0.6060 0.6060 0.6497 0.6497 5.0044 5.0044 5.1616 5.1616 5.5993 5.5993 6.3157 6.3157 7.1460 7.1460 7.4230 7.4230 7.6094 7.6094 7.8943 7.8943 k = 0.5000 0.1649 1.5092 ( 7818 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9381 -17.9381 -17.5995 -17.5995 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9757 -15.9757 -15.8546 -15.8546 -11.2597 -11.2597 -11.2526 -11.2526 -0.2609 -0.2609 -0.2448 -0.2448 0.2488 0.2488 0.3282 0.3282 0.3587 0.3587 0.6060 0.6060 0.6497 0.6497 5.0044 5.0044 5.1616 5.1616 5.5993 5.5993 6.3157 6.3157 7.1460 7.1460 7.4230 7.4230 7.6094 7.6094 7.8943 7.8943 k = 0.5000 0.1649 1.4771 ( 7802 PWs) bands (ev): -36.6721 -36.6721 -36.6720 -36.6720 -35.0589 -35.0589 -17.9382 -17.9382 -17.9381 -17.9381 -17.5995 -17.5995 -17.5994 -17.5994 -17.4867 -17.4867 -17.4864 -17.4864 -16.3487 -16.3487 -15.9757 -15.9757 -15.8545 -15.8545 -11.2593 -11.2593 -11.2529 -11.2529 -0.2642 -0.2642 -0.2415 -0.2415 0.2291 0.2291 0.3309 0.3309 0.3688 0.3688 0.6089 0.6089 0.6494 0.6494 5.0100 5.0100 5.1539 5.1539 5.5804 5.5804 6.3461 6.3461 7.1510 7.1510 7.4262 7.4262 7.6372 7.6372 7.8897 7.8897 k = 0.5000 0.1649 1.4450 ( 7800 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9381 -17.9381 -17.9380 -17.9380 -17.5994 -17.5994 -17.5993 -17.5993 -17.4867 -17.4867 -17.4865 -17.4865 -16.3487 -16.3487 -15.9756 -15.9756 -15.8543 -15.8543 -11.2588 -11.2588 -11.2533 -11.2533 -0.2678 -0.2678 -0.2377 -0.2377 0.2080 0.2080 0.3335 0.3335 0.3786 0.3786 0.6125 0.6125 0.6490 0.6490 5.0173 5.0173 5.1445 5.1445 5.5581 5.5581 6.3831 6.3831 7.1575 7.1575 7.4303 7.4303 7.6728 7.6728 7.8827 7.8827 k = 0.5000 0.1649 1.4128 ( 7812 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9381 -17.9381 -17.9379 -17.9379 -17.5993 -17.5993 -17.5992 -17.5992 -17.4866 -17.4866 -17.4865 -17.4865 -16.3487 -16.3487 -15.9755 -15.9755 -15.8542 -15.8542 -11.2582 -11.2582 -11.2538 -11.2538 -0.2717 -0.2717 -0.2336 -0.2336 0.1862 0.1862 0.3363 0.3363 0.3874 0.3874 0.6164 0.6164 0.6487 0.6487 5.0264 5.0264 5.1337 5.1337 5.5334 5.5334 6.4254 6.4254 7.1655 7.1655 7.4353 7.4353 7.7155 7.7155 7.8726 7.8726 k = 0.5000 0.1649 1.3807 ( 7812 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9381 -17.9381 -17.9378 -17.9378 -17.5993 -17.5993 -17.5991 -17.5991 -17.4867 -17.4867 -17.4865 -17.4865 -16.3486 -16.3486 -15.9754 -15.9754 -15.8540 -15.8540 -11.2575 -11.2575 -11.2544 -11.2544 -0.2758 -0.2758 -0.2290 -0.2290 0.1639 0.1639 0.3396 0.3396 0.3951 0.3951 0.6201 0.6201 0.6488 0.6488 5.0372 5.0372 5.1221 5.1221 5.5073 5.5073 6.4719 6.4719 7.1750 7.1750 7.4413 7.4413 7.7646 7.7646 7.8593 7.8593 k = 0.5000 0.1649 1.3486 ( 7818 PWs) bands (ev): -36.6721 -36.6721 -36.6721 -36.6721 -35.0589 -35.0589 -17.9380 -17.9380 -17.9377 -17.9377 -17.5992 -17.5992 -17.5989 -17.5989 -17.4867 -17.4867 -17.4864 -17.4864 -16.3486 -16.3486 -15.9753 -15.9753 -15.8538 -15.8538 -11.2567 -11.2567 -11.2551 -11.2551 -0.2799 -0.2799 -0.2242 -0.2242 0.1414 0.1414 0.3433 0.3433 0.4016 0.4016 0.6230 0.6230 0.6500 0.6500 5.0498 5.0498 5.1102 5.1102 5.4805 5.4805 6.5214 6.5214 7.1858 7.1858 7.4481 7.4481 7.8190 7.8190 7.8427 7.8427 k = 0.5000 0.1649 1.3165 ( 7812 PWs) bands (ev): -36.6722 -36.6722 -36.6721 -36.6721 -35.0589 -35.0589 -17.9379 -17.9379 -17.9376 -17.9376 -17.5990 -17.5990 -17.5988 -17.5988 -17.4868 -17.4868 -17.4864 -17.4864 -16.3485 -16.3485 -15.9752 -15.9752 -15.8536 -15.8536 -11.2560 -11.2560 -11.2559 -11.2559 -0.2839 -0.2839 -0.2192 -0.2192 0.1193 0.1193 0.3475 0.3475 0.4069 0.4069 0.6241 0.6241 0.6530 0.6530 5.0641 5.0641 5.0985 5.0985 5.4533 5.4533 6.5732 6.5732 7.1981 7.1981 7.4558 7.4558 7.8228 7.8228 7.8777 7.8777 k = 0.5000 0.1649 1.2844 ( 7822 PWs) bands (ev): -36.6722 -36.6722 -36.6721 -36.6721 -35.0590 -35.0590 -17.9379 -17.9379 -17.9374 -17.9374 -17.5989 -17.5989 -17.5986 -17.5986 -17.4869 -17.4869 -17.4863 -17.4863 -16.3485 -16.3485 -15.9750 -15.9750 -15.8533 -15.8533 -11.2570 -11.2570 -11.2551 -11.2551 -0.2877 -0.2877 -0.2143 -0.2143 0.0978 0.0978 0.3522 0.3522 0.4111 0.4111 0.6231 0.6231 0.6580 0.6580 5.0801 5.0801 5.0877 5.0877 5.4262 5.4262 6.6266 6.6266 7.2117 7.2117 7.4642 7.4642 7.8005 7.8005 7.9388 7.9388 k = 0.5000 0.1649 1.2523 ( 7826 PWs) bands (ev): -36.6722 -36.6722 -36.6721 -36.6721 -35.0590 -35.0590 -17.9378 -17.9378 -17.9372 -17.9372 -17.5988 -17.5988 -17.5984 -17.5984 -17.4870 -17.4870 -17.4862 -17.4862 -16.3484 -16.3484 -15.9749 -15.9749 -15.8531 -15.8531 -11.2582 -11.2582 -11.2542 -11.2542 -0.2910 -0.2910 -0.2097 -0.2097 0.0775 0.0775 0.3572 0.3572 0.4143 0.4143 0.6204 0.6204 0.6647 0.6647 5.0782 5.0782 5.0979 5.0979 5.3993 5.3993 6.6808 6.6808 7.2265 7.2265 7.4733 7.4733 7.7762 7.7763 8.0009 8.0009 k = 0.5000 0.1649 1.2202 ( 7830 PWs) bands (ev): -36.6722 -36.6722 -36.6722 -36.6722 -35.0590 -35.0590 -17.9377 -17.9377 -17.9371 -17.9371 -17.5986 -17.5986 -17.5981 -17.5981 -17.4871 -17.4871 -17.4861 -17.4861 -16.3484 -16.3484 -15.9747 -15.9747 -15.8528 -15.8528 -11.2596 -11.2596 -11.2534 -11.2534 -0.2936 -0.2936 -0.2058 -0.2058 0.0588 0.0588 0.3626 0.3626 0.4166 0.4166 0.6164 0.6164 0.6725 0.6725 5.0705 5.0705 5.1174 5.1174 5.3727 5.3727 6.7355 6.7355 7.2425 7.2425 7.4829 7.4829 7.7506 7.7506 8.0618 8.0619 k = 0.5000 0.1649 1.1881 ( 7838 PWs) bands (ev): -36.6723 -36.6723 -36.6722 -36.6722 -35.0590 -35.0590 -17.9375 -17.9375 -17.9368 -17.9368 -17.5984 -17.5984 -17.5979 -17.5979 -17.4872 -17.4872 -17.4860 -17.4860 -16.3483 -16.3483 -15.9745 -15.9745 -15.8524 -15.8524 -11.2612 -11.2612 -11.2525 -11.2525 -0.2955 -0.2955 -0.2031 -0.2031 0.0424 0.0424 0.3680 0.3680 0.4183 0.4183 0.6115 0.6115 0.6813 0.6813 5.0651 5.0651 5.1386 5.1386 5.3465 5.3465 6.7899 6.7899 7.2596 7.2596 7.4929 7.4929 7.7244 7.7244 8.1135 8.1142 k = 0.5000 0.1649 1.1560 ( 7846 PWs) bands (ev): -36.6723 -36.6723 -36.6722 -36.6722 -35.0591 -35.0591 -17.9374 -17.9374 -17.9366 -17.9366 -17.5982 -17.5982 -17.5976 -17.5976 -17.4874 -17.4874 -17.4859 -17.4859 -16.3482 -16.3482 -15.9743 -15.9743 -15.8521 -15.8521 -11.2629 -11.2629 -11.2518 -11.2518 -0.2963 -0.2963 -0.2022 -0.2022 0.0289 0.0289 0.3730 0.3730 0.4199 0.4199 0.6057 0.6057 0.6907 0.6907 5.0625 5.0625 5.1616 5.1616 5.3205 5.3205 6.8435 6.8435 7.2776 7.2776 7.5030 7.5030 7.6984 7.6984 8.0960 8.0960 k = 0.5000 0.1649 1.1239 ( 7850 PWs) bands (ev): -36.6724 -36.6724 -36.6722 -36.6722 -35.0591 -35.0591 -17.9373 -17.9373 -17.9364 -17.9364 -17.5979 -17.5979 -17.5973 -17.5973 -17.4875 -17.4875 -17.4858 -17.4858 -16.3482 -16.3482 -15.9741 -15.9741 -15.8517 -15.8517 -11.2649 -11.2649 -11.2511 -11.2511 -0.2960 -0.2960 -0.2034 -0.2034 0.0189 0.0189 0.3771 0.3771 0.4220 0.4220 0.5994 0.5994 0.7008 0.7008 5.0630 5.0630 5.1863 5.1863 5.2948 5.2948 6.8956 6.8956 7.2964 7.2964 7.5128 7.5128 7.6735 7.6735 8.0727 8.0727 k = 0.5000 0.1649 1.0917 ( 7850 PWs) bands (ev): -36.6724 -36.6724 -36.6723 -36.6723 -35.0591 -35.0591 -17.9371 -17.9371 -17.9361 -17.9361 -17.5977 -17.5977 -17.5970 -17.5970 -17.4876 -17.4876 -17.4856 -17.4856 -16.3481 -16.3481 -15.9739 -15.9739 -15.8513 -15.8513 -11.2671 -11.2671 -11.2505 -11.2505 -0.2944 -0.2944 -0.2071 -0.2071 0.0127 0.0127 0.3796 0.3796 0.4252 0.4252 0.5928 0.5928 0.7114 0.7114 5.0670 5.0670 5.2126 5.2126 5.2692 5.2692 6.9451 6.9451 7.3159 7.3159 7.5221 7.5221 7.6511 7.6511 8.0474 8.0474 k = 0.5000 0.1649 1.0596 ( 7852 PWs) bands (ev): -36.6725 -36.6725 -36.6723 -36.6723 -35.0592 -35.0592 -17.9369 -17.9369 -17.9358 -17.9358 -17.5974 -17.5974 -17.5966 -17.5966 -17.4878 -17.4878 -17.4855 -17.4855 -16.3480 -16.3480 -15.9736 -15.9736 -15.8509 -15.8509 -11.2695 -11.2695 -11.2500 -11.2500 -0.2913 -0.2913 -0.2135 -0.2135 0.0105 0.0105 0.3802 0.3802 0.4300 0.4300 0.5859 0.5859 0.7226 0.7226 5.0748 5.0748 5.2389 5.2389 5.2454 5.2454 6.9908 6.9908 7.3358 7.3358 7.5300 7.5300 7.6324 7.6324 8.0206 8.0206 k = 0.5000 0.1649 1.0275 ( 7848 PWs) bands (ev): -36.6725 -36.6725 -36.6723 -36.6723 -35.0592 -35.0592 -17.9367 -17.9367 -17.9354 -17.9354 -17.5970 -17.5970 -17.5962 -17.5962 -17.4879 -17.4879 -17.4853 -17.4853 -16.3479 -16.3479 -15.9734 -15.9734 -15.8505 -15.8505 -11.2722 -11.2722 -11.2497 -11.2497 -0.2868 -0.2868 -0.2221 -0.2221 0.0119 0.0119 0.3791 0.3791 0.4362 0.4362 0.5793 0.5793 0.7342 0.7342 5.0866 5.0866 5.2178 5.2178 5.2708 5.2708 7.0311 7.0311 7.3559 7.3559 7.5357 7.5357 7.6194 7.6194 7.9922 7.9922 k = 0.5000 0.1649 0.9954 ( 7844 PWs) bands (ev): -36.6725 -36.6725 -36.6724 -36.6724 -35.0592 -35.0592 -17.9365 -17.9365 -17.9351 -17.9351 -17.5967 -17.5967 -17.5957 -17.5957 -17.4881 -17.4881 -17.4852 -17.4852 -16.3478 -16.3478 -15.9731 -15.9731 -15.8500 -15.8500 -11.2751 -11.2751 -11.2495 -11.2495 -0.2808 -0.2808 -0.2326 -0.2326 0.0165 0.0165 0.3768 0.3768 0.4432 0.4432 0.5732 0.5732 0.7462 0.7462 5.1025 5.1025 5.1922 5.1922 5.3022 5.3022 7.0639 7.0639 7.3758 7.3758 7.5378 7.5378 7.6142 7.6142 7.9623 7.9623 k = 0.5000 0.1649 0.9633 ( 7844 PWs) bands (ev): -36.6726 -36.6726 -36.6724 -36.6724 -35.0593 -35.0593 -17.9363 -17.9363 -17.9347 -17.9347 -17.5964 -17.5964 -17.5953 -17.5953 -17.4882 -17.4882 -17.4850 -17.4850 -16.3477 -16.3477 -15.9729 -15.9729 -15.8496 -15.8496 -11.2783 -11.2783 -11.2494 -11.2494 -0.2731 -0.2731 -0.2443 -0.2443 0.0236 0.0236 0.3738 0.3738 0.4503 0.4503 0.5683 0.5683 0.7586 0.7586 5.1229 5.1229 5.1663 5.1663 5.3353 5.3353 7.0873 7.0873 7.3951 7.3951 7.5343 7.5343 7.6188 7.6188 7.9310 7.9310 k = 0.5000 0.1649 0.9312 ( 7840 PWs) bands (ev): -36.6726 -36.6726 -36.6724 -36.6724 -35.0593 -35.0593 -17.9361 -17.9361 -17.9344 -17.9344 -17.5960 -17.5960 -17.5948 -17.5948 -17.4883 -17.4883 -17.4848 -17.4848 -16.3476 -16.3476 -15.9726 -15.9726 -15.8491 -15.8491 -11.2817 -11.2817 -11.2496 -11.2496 -0.2639 -0.2639 -0.2569 -0.2569 0.0327 0.0327 0.3707 0.3707 0.4567 0.4567 0.5652 0.5652 0.7713 0.7713 5.1400 5.1400 5.1477 5.1477 5.3700 5.3700 7.1001 7.1001 7.4132 7.4132 7.5230 7.5230 7.6344 7.6344 7.8982 7.8982 k = 0.5000 0.1649 0.8991 ( 7834 PWs) bands (ev): -36.6727 -36.6727 -36.6725 -36.6725 -35.0594 -35.0594 -17.9358 -17.9358 -17.9339 -17.9339 -17.5956 -17.5956 -17.5943 -17.5943 -17.4885 -17.4885 -17.4846 -17.4846 -16.3475 -16.3475 -15.9723 -15.9723 -15.8486 -15.8486 -11.2853 -11.2853 -11.2499 -11.2499 -0.2700 -0.2700 -0.2532 -0.2532 0.0431 0.0431 0.3680 0.3680 0.4616 0.4616 0.5648 0.5648 0.7843 0.7843 5.1133 5.1133 5.1771 5.1771 5.4064 5.4064 7.1024 7.1024 7.4295 7.4295 7.5016 7.5016 7.6606 7.6606 7.8641 7.8641 k = 0.5000 0.1649 0.8670 ( 7834 PWs) bands (ev): -36.6727 -36.6727 -36.6725 -36.6725 -35.0594 -35.0594 -17.9355 -17.9355 -17.9335 -17.9335 -17.5951 -17.5951 -17.5938 -17.5938 -17.4886 -17.4886 -17.4844 -17.4844 -16.3474 -16.3474 -15.9720 -15.9720 -15.8481 -15.8481 -11.2891 -11.2891 -11.2504 -11.2504 -0.2832 -0.2832 -0.2411 -0.2411 0.0545 0.0545 0.3661 0.3661 0.4644 0.4644 0.5677 0.5677 0.7975 0.7975 5.0861 5.0861 5.2110 5.2110 5.4444 5.4444 7.0954 7.0954 7.4427 7.4427 7.4685 7.4685 7.6961 7.6961 7.8285 7.8285 k = 0.5000 0.1649 0.8349 ( 7834 PWs) bands (ev): -36.6728 -36.6728 -36.6725 -36.6725 -35.0594 -35.0594 -17.9353 -17.9353 -17.9331 -17.9331 -17.5947 -17.5947 -17.5932 -17.5932 -17.4888 -17.4888 -17.4842 -17.4842 -16.3473 -16.3473 -15.9717 -15.9717 -15.8476 -15.8476 -11.2932 -11.2932 -11.2511 -11.2511 -0.2964 -0.2964 -0.2278 -0.2278 0.0666 0.0666 0.3656 0.3656 0.4649 0.4649 0.5740 0.5740 0.8108 0.8108 5.0584 5.0584 5.2495 5.2495 5.4839 5.4839 7.0810 7.0810 7.4232 7.4232 7.4518 7.4518 7.7384 7.7384 7.7915 7.7915 k = 0.5000 0.1649 0.8028 ( 7836 PWs) bands (ev): -36.6729 -36.6729 -36.6726 -36.6726 -35.0595 -35.0595 -17.9350 -17.9350 -17.9326 -17.9326 -17.5942 -17.5942 -17.5926 -17.5926 -17.4889 -17.4889 -17.4841 -17.4841 -16.3472 -16.3472 -15.9714 -15.9714 -15.8471 -15.8471 -11.2975 -11.2975 -11.2520 -11.2520 -0.3095 -0.3095 -0.2134 -0.2134 0.0791 0.0791 0.3666 0.3666 0.4638 0.4638 0.5836 0.5836 0.8243 0.8243 5.0300 5.0300 5.2924 5.2924 5.5249 5.5249 7.0611 7.0611 7.3673 7.3673 7.4549 7.4549 7.7516 7.7516 7.7871 7.7871 k = 0.5000 0.1649 0.7706 ( 7846 PWs) bands (ev): -36.6729 -36.6729 -36.6726 -36.6726 -35.0595 -35.0595 -17.9347 -17.9347 -17.9322 -17.9322 -17.5937 -17.5937 -17.5921 -17.5921 -17.4891 -17.4891 -17.4839 -17.4839 -16.3471 -16.3471 -15.9712 -15.9712 -15.8466 -15.8466 -11.3020 -11.3020 -11.2531 -11.2531 -0.3226 -0.3226 -0.1984 -0.1984 0.0921 0.0921 0.3695 0.3695 0.4616 0.4616 0.5957 0.5957 0.8378 0.8378 5.0008 5.0008 5.3398 5.3398 5.5673 5.5673 7.0371 7.0371 7.3032 7.3032 7.4505 7.4505 7.7115 7.7115 7.8372 7.8372 k = 0.5000 0.1649 0.7385 ( 7860 PWs) bands (ev): -36.6730 -36.6730 -36.6726 -36.6726 -35.0596 -35.0596 -17.9344 -17.9344 -17.9317 -17.9317 -17.5933 -17.5933 -17.5915 -17.5915 -17.4892 -17.4892 -17.4837 -17.4837 -16.3470 -16.3470 -15.9709 -15.9709 -15.8461 -15.8461 -11.3066 -11.3066 -11.2544 -11.2544 -0.3355 -0.3355 -0.1831 -0.1831 0.1055 0.1055 0.3744 0.3744 0.4594 0.4594 0.6098 0.6098 0.8513 0.8513 4.9709 4.9709 5.3914 5.3914 5.6110 5.6110 7.0102 7.0102 7.2332 7.2332 7.4368 7.4368 7.6691 7.6691 7.8891 7.8891 k = 0.5000 0.1649 0.7064 ( 7854 PWs) bands (ev): -36.6730 -36.6730 -36.6727 -36.6727 -35.0596 -35.0596 -17.9340 -17.9340 -17.9313 -17.9313 -17.5927 -17.5927 -17.5908 -17.5908 -17.4893 -17.4893 -17.4835 -17.4835 -16.3469 -16.3469 -15.9706 -15.9706 -15.8456 -15.8456 -11.3114 -11.3114 -11.2559 -11.2559 -0.3484 -0.3484 -0.1678 -0.1678 0.1195 0.1195 0.3812 0.3812 0.4577 0.4577 0.6255 0.6255 0.8647 0.8647 4.9402 4.9402 5.4471 5.4471 5.6561 5.6561 6.9813 6.9813 7.1597 7.1597 7.4132 7.4132 7.6250 7.6250 7.9407 7.9407 k = 0.5000 0.1649 0.6743 ( 7844 PWs) bands (ev): -36.6731 -36.6731 -36.6727 -36.6727 -35.0596 -35.0596 -17.9337 -17.9337 -17.9308 -17.9308 -17.5922 -17.5922 -17.5902 -17.5902 -17.4895 -17.4895 -17.4833 -17.4833 -16.3468 -16.3468 -15.9703 -15.9703 -15.8451 -15.8451 -11.3163 -11.3163 -11.2576 -11.2576 -0.3613 -0.3613 -0.1530 -0.1530 0.1344 0.1344 0.3898 0.3898 0.4573 0.4573 0.6424 0.6424 0.8779 0.8779 4.9087 4.9087 5.5068 5.5068 5.7022 5.7022 6.9509 6.9509 7.0843 7.0843 7.3801 7.3801 7.5789 7.5789 7.9587 7.9598 k = 0.5000 0.1649 0.6422 ( 7864 PWs) bands (ev): -36.6731 -36.6731 -36.6727 -36.6727 -35.0597 -35.0597 -17.9334 -17.9334 -17.9303 -17.9303 -17.5917 -17.5917 -17.5896 -17.5896 -17.4896 -17.4896 -17.4831 -17.4831 -16.3468 -16.3468 -15.9700 -15.9700 -15.8446 -15.8446 -11.3214 -11.3214 -11.2594 -11.2594 -0.3743 -0.3743 -0.1392 -0.1392 0.1505 0.1505 0.3996 0.3996 0.4589 0.4589 0.6604 0.6604 0.8909 0.8909 4.8762 4.8762 5.5700 5.5700 5.7493 5.7493 6.9193 6.9193 7.0085 7.0085 7.3389 7.3389 7.5308 7.5308 7.9583 7.9584 k = 0.5000 0.1649 0.6101 ( 7866 PWs) bands (ev): -36.6732 -36.6732 -36.6728 -36.6728 -35.0597 -35.0597 -17.9330 -17.9330 -17.9298 -17.9298 -17.5912 -17.5912 -17.5889 -17.5889 -17.4897 -17.4897 -17.4829 -17.4829 -16.3467 -16.3467 -15.9697 -15.9697 -15.8441 -15.8441 -11.3264 -11.3264 -11.2613 -11.2613 -0.3873 -0.3873 -0.1267 -0.1267 0.1680 0.1680 0.4100 0.4100 0.4633 0.4633 0.6792 0.6792 0.9036 0.9036 4.8430 4.8430 5.6367 5.6367 5.7972 5.7972 6.8862 6.8862 6.9340 6.9340 7.2917 7.2917 7.4811 7.4811 7.9648 7.9648 k = 0.5000 0.1649 0.5780 ( 7862 PWs) bands (ev): -36.6732 -36.6732 -36.6728 -36.6728 -35.0597 -35.0597 -17.9327 -17.9327 -17.9293 -17.9293 -17.5906 -17.5906 -17.5883 -17.5883 -17.4899 -17.4899 -17.4827 -17.4827 -16.3466 -16.3466 -15.9694 -15.9694 -15.8436 -15.8436 -11.3315 -11.3315 -11.2634 -11.2634 -0.4004 -0.4004 -0.1156 -0.1156 0.1871 0.1871 0.4202 0.4202 0.4712 0.4712 0.6987 0.6987 0.9159 0.9159 4.8088 4.8088 5.7063 5.7063 5.8455 5.8455 6.8460 6.8460 6.8678 6.8678 7.2404 7.2404 7.4296 7.4296 7.9764 7.9764 k = 0.5000 0.1649 0.5459 ( 7866 PWs) bands (ev): -36.6733 -36.6733 -36.6728 -36.6728 -35.0598 -35.0598 -17.9324 -17.9324 -17.9288 -17.9288 -17.5901 -17.5901 -17.5876 -17.5876 -17.4900 -17.4900 -17.4825 -17.4825 -16.3465 -16.3465 -15.9692 -15.9692 -15.8431 -15.8431 -11.3367 -11.3367 -11.2656 -11.2656 -0.4136 -0.4136 -0.1063 -0.1063 0.2076 0.2076 0.4298 0.4298 0.4828 0.4828 0.7190 0.7190 0.9278 0.9278 4.7738 4.7738 5.7786 5.7786 5.8938 5.8938 6.7826 6.7826 6.8270 6.8270 7.1867 7.1867 7.3768 7.3768 7.9915 7.9915 k = 0.5000 0.1649 0.5138 ( 7862 PWs) bands (ev): -36.6733 -36.6733 -36.6728 -36.6728 -35.0598 -35.0598 -17.9320 -17.9320 -17.9284 -17.9284 -17.5896 -17.5896 -17.5870 -17.5870 -17.4901 -17.4901 -17.4823 -17.4823 -16.3464 -16.3464 -15.9689 -15.9689 -15.8427 -15.8427 -11.3417 -11.3417 -11.2678 -11.2678 -0.4268 -0.4268 -0.0987 -0.0987 0.2294 0.2294 0.4391 0.4391 0.4977 0.4977 0.7399 0.7399 0.9392 0.9392 4.7381 4.7381 5.8530 5.8530 5.9416 5.9416 6.7158 6.7158 6.7931 6.7931 7.1320 7.1320 7.3230 7.3230 8.0090 8.0094 k = 0.5000 0.1649 0.4817 ( 7862 PWs) bands (ev): -36.6734 -36.6734 -36.6729 -36.6729 -35.0599 -35.0599 -17.9317 -17.9317 -17.9279 -17.9279 -17.5890 -17.5890 -17.5864 -17.5864 -17.4902 -17.4902 -17.4822 -17.4822 -16.3463 -16.3463 -15.9686 -15.9686 -15.8422 -15.8422 -11.3467 -11.3467 -11.2701 -11.2701 -0.4400 -0.4400 -0.0926 -0.0926 0.2522 0.2522 0.4485 0.4485 0.5149 0.5149 0.7614 0.7614 0.9501 0.9501 4.7017 4.7017 5.9290 5.9290 5.9880 5.9880 6.6529 6.6529 6.7602 6.7602 7.0773 7.0773 7.2686 7.2686 8.0303 8.0308 k = 0.5000 0.1649 0.4495 ( 7856 PWs) bands (ev): -36.6734 -36.6734 -36.6729 -36.6729 -35.0599 -35.0599 -17.9313 -17.9313 -17.9274 -17.9274 -17.5885 -17.5885 -17.5858 -17.5858 -17.4903 -17.4903 -17.4820 -17.4820 -16.3462 -16.3462 -15.9684 -15.9684 -15.8418 -15.8418 -11.3516 -11.3516 -11.2724 -11.2724 -0.4531 -0.4531 -0.0881 -0.0881 0.2755 0.2755 0.4585 0.4585 0.5338 0.5338 0.7836 0.7836 0.9603 0.9603 4.6649 4.6649 6.0054 6.0054 6.0321 6.0321 6.5962 6.5962 6.7279 6.7279 7.0236 7.0236 7.2141 7.2141 8.0052 8.0053 k = 0.5000 0.1649 0.4174 ( 7864 PWs) bands (ev): -36.6734 -36.6734 -36.6729 -36.6729 -35.0599 -35.0599 -17.9310 -17.9310 -17.9270 -17.9270 -17.5880 -17.5880 -17.5852 -17.5852 -17.4903 -17.4903 -17.4818 -17.4818 -16.3462 -16.3462 -15.9682 -15.9682 -15.8414 -15.8414 -11.3564 -11.3564 -11.2747 -11.2747 -0.4660 -0.4660 -0.0847 -0.0847 0.2990 0.2990 0.4692 0.4692 0.5536 0.5536 0.8062 0.8062 0.9698 0.9698 4.6277 4.6277 6.0659 6.0659 6.0873 6.0873 6.5484 6.5484 6.6961 6.6961 6.9714 6.9714 7.1601 7.1601 7.9828 7.9828 k = 0.5000 0.1649 0.3853 ( 7864 PWs) bands (ev): -36.6735 -36.6735 -36.6730 -36.6730 -35.0599 -35.0599 -17.9307 -17.9307 -17.9266 -17.9266 -17.5875 -17.5875 -17.5846 -17.5846 -17.4904 -17.4904 -17.4817 -17.4817 -16.3461 -16.3461 -15.9679 -15.9679 -15.8410 -15.8410 -11.3609 -11.3609 -11.2769 -11.2769 -0.4785 -0.4785 -0.0825 -0.0825 0.3222 0.3222 0.4806 0.4806 0.5739 0.5739 0.8293 0.8293 0.9786 0.9786 4.5906 4.5906 6.0968 6.0968 6.1633 6.1633 6.5129 6.5129 6.6651 6.6651 6.9213 6.9213 7.1070 7.1070 7.9637 7.9637 k = 0.5000 0.1649 0.3532 ( 7848 PWs) bands (ev): -36.6735 -36.6735 -36.6730 -36.6730 -35.0600 -35.0600 -17.9304 -17.9304 -17.9262 -17.9262 -17.5871 -17.5871 -17.5841 -17.5841 -17.4905 -17.4905 -17.4815 -17.4815 -16.3460 -16.3460 -15.9677 -15.9677 -15.8406 -15.8406 -11.3653 -11.3653 -11.2791 -11.2791 -0.4906 -0.4906 -0.0811 -0.0811 0.3447 0.3447 0.4923 0.4923 0.5942 0.5942 0.8528 0.8528 0.9866 0.9866 4.5537 4.5537 6.1139 6.1139 6.2394 6.2394 6.4935 6.4935 6.6352 6.6352 6.8739 6.8739 7.0556 7.0556 7.9479 7.9484 k = 0.5000 0.1649 0.3211 ( 7844 PWs) bands (ev): -36.6735 -36.6735 -36.6730 -36.6730 -35.0600 -35.0600 -17.9301 -17.9301 -17.9259 -17.9259 -17.5866 -17.5866 -17.5836 -17.5836 -17.4905 -17.4905 -17.4814 -17.4814 -16.3460 -16.3460 -15.9675 -15.9675 -15.8403 -15.8403 -11.3694 -11.3694 -11.2813 -11.2813 -0.5021 -0.5021 -0.0804 -0.0804 0.3665 0.3665 0.5041 0.5041 0.6141 0.6141 0.8763 0.8763 0.9938 0.9938 4.5175 4.5175 6.1160 6.1160 6.3136 6.3136 6.4926 6.4926 6.6065 6.6065 6.8295 6.8295 7.0064 7.0064 7.9158 7.9321 k = 0.5000 0.1649 0.2890 ( 7836 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0600 -35.0600 -17.9298 -17.9298 -17.9255 -17.9255 -17.5862 -17.5862 -17.5831 -17.5831 -17.4906 -17.4906 -17.4812 -17.4812 -16.3459 -16.3459 -15.9673 -15.9673 -15.8400 -15.8400 -11.3732 -11.3732 -11.2833 -11.2833 -0.5129 -0.5129 -0.0802 -0.0802 0.3871 0.3871 0.5156 0.5156 0.6333 0.6333 0.8998 0.8998 1.0002 1.0002 4.4824 4.4824 6.1047 6.1047 6.3848 6.3848 6.5083 6.5083 6.5794 6.5794 6.7884 6.7884 6.9599 6.9599 7.8704 7.8715 k = 0.5000 0.1649 0.2569 ( 7842 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0600 -35.0600 -17.9296 -17.9296 -17.9252 -17.9252 -17.5859 -17.5859 -17.5827 -17.5827 -17.4906 -17.4906 -17.4811 -17.4811 -16.3458 -16.3458 -15.9672 -15.9672 -15.8397 -15.8397 -11.3767 -11.3767 -11.2852 -11.2852 -0.5229 -0.5229 -0.0805 -0.0805 0.4064 0.4064 0.5264 0.5264 0.6512 0.6512 0.9228 0.9228 1.0058 1.0058 4.4489 4.4489 6.0848 6.0848 6.4517 6.4517 6.5358 6.5358 6.5543 6.5543 6.7509 6.7509 6.9167 6.9167 7.8323 7.8327 k = 0.5000 0.1649 0.2248 ( 7848 PWs) bands (ev): -36.6736 -36.6736 -36.6730 -36.6730 -35.0601 -35.0601 -17.9294 -17.9294 -17.9249 -17.9249 -17.5855 -17.5855 -17.5823 -17.5823 -17.4907 -17.4907 -17.4810 -17.4810 -16.3458 -16.3458 -15.9670 -15.9670 -15.8395 -15.8395 -11.3799 -11.3799 -11.2869 -11.2869 -0.5319 -0.5319 -0.0810 -0.0810 0.4243 0.4243 0.5364 0.5364 0.6678 0.6678 0.9448 0.9448 1.0106 1.0106 4.4175 4.4175 6.0608 6.0608 6.5128 6.5128 6.5317 6.5317 6.5701 6.5701 6.7173 6.7173 6.8772 6.8772 7.7988 7.7988 k = 0.5000 0.1649 0.1927 ( 7856 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9292 -17.9292 -17.9247 -17.9247 -17.5853 -17.5853 -17.5820 -17.5820 -17.4907 -17.4907 -17.4809 -17.4809 -16.3458 -16.3458 -15.9669 -15.9669 -15.8393 -15.8393 -11.3827 -11.3827 -11.2884 -11.2884 -0.5400 -0.5400 -0.0816 -0.0816 0.4406 0.4406 0.5451 0.5451 0.6827 0.6827 0.9655 0.9655 1.0147 1.0147 4.3888 4.3888 6.0364 6.0364 6.5102 6.5102 6.5687 6.5687 6.6070 6.6070 6.6878 6.6878 6.8420 6.8420 7.7698 7.7698 k = 0.5000 0.1649 0.1606 ( 7848 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9290 -17.9290 -17.9245 -17.9245 -17.5850 -17.5850 -17.5817 -17.5817 -17.4908 -17.4908 -17.4808 -17.4808 -16.3457 -16.3457 -15.9668 -15.9668 -15.8391 -15.8391 -11.3851 -11.3851 -11.2897 -11.2897 -0.5470 -0.5470 -0.0823 -0.0823 0.4550 0.4550 0.5525 0.5525 0.6956 0.6956 0.9841 0.9841 1.0180 1.0180 4.3633 4.3633 6.0135 6.0135 6.4925 6.4925 6.6161 6.6161 6.6436 6.6436 6.6626 6.6626 6.8115 6.8115 7.7454 7.7454 k = 0.5000 0.1649 0.1284 ( 7844 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9289 -17.9289 -17.9243 -17.9243 -17.5848 -17.5848 -17.5814 -17.5814 -17.4908 -17.4908 -17.4808 -17.4808 -16.3457 -16.3457 -15.9667 -15.9667 -15.8389 -15.8389 -11.3871 -11.3871 -11.2908 -11.2908 -0.5528 -0.5528 -0.0830 -0.0830 0.4673 0.4673 0.5585 0.5585 0.7065 0.7065 1.0001 1.0001 1.0208 1.0208 4.3416 4.3416 5.9936 5.9936 6.4775 6.4775 6.6412 6.6412 6.6554 6.6554 6.6780 6.6780 6.7860 6.7860 7.7257 7.7257 k = 0.5000 0.1649 0.0963 ( 7840 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9288 -17.9288 -17.9241 -17.9241 -17.5846 -17.5846 -17.5812 -17.5812 -17.4908 -17.4908 -17.4807 -17.4807 -16.3457 -16.3457 -15.9666 -15.9666 -15.8388 -15.8388 -11.3887 -11.3887 -11.2917 -11.2917 -0.5573 -0.5573 -0.0836 -0.0836 0.4773 0.4773 0.5630 0.5630 0.7151 0.7151 1.0126 1.0126 1.0234 1.0234 4.3241 4.3241 5.9774 5.9774 6.4657 6.4657 6.6250 6.6250 6.6862 6.6862 6.7068 6.7068 6.7659 6.7659 7.7103 7.7103 k = 0.5000 0.1649 0.0642 ( 7840 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9287 -17.9287 -17.9240 -17.9240 -17.5845 -17.5845 -17.5811 -17.5811 -17.4908 -17.4908 -17.4807 -17.4807 -16.3457 -16.3457 -15.9666 -15.9666 -15.8387 -15.8387 -11.3898 -11.3898 -11.2924 -11.2924 -0.5606 -0.5606 -0.0841 -0.0841 0.4846 0.4846 0.5662 0.5662 0.7213 0.7213 1.0201 1.0201 1.0271 1.0271 4.3113 4.3113 5.9655 5.9655 6.4572 6.4572 6.6133 6.6133 6.7089 6.7089 6.7282 6.7282 6.7517 6.7517 7.6995 7.6995 k = 0.5000 0.1649 0.0321 ( 7830 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9287 -17.9287 -17.9239 -17.9239 -17.5845 -17.5845 -17.5810 -17.5810 -17.4908 -17.4908 -17.4806 -17.4806 -16.3456 -16.3456 -15.9665 -15.9665 -15.8387 -15.8387 -11.3905 -11.3905 -11.2927 -11.2927 -0.5626 -0.5626 -0.0843 -0.0843 0.4892 0.4892 0.5680 0.5680 0.7250 0.7250 1.0225 1.0225 1.0315 1.0315 4.3035 4.3035 5.9583 5.9583 6.4520 6.4520 6.6062 6.6062 6.7232 6.7232 6.7371 6.7371 6.7469 6.7469 7.6930 7.6930 k = 0.5000 0.1649-0.0000 ( 7860 PWs) bands (ev): -36.6737 -36.6737 -36.6731 -36.6731 -35.0601 -35.0601 -17.9287 -17.9287 -17.9240 -17.9240 -17.5845 -17.5845 -17.5810 -17.5810 -17.4908 -17.4908 -17.4806 -17.4806 -16.3457 -16.3457 -15.9665 -15.9665 -15.8387 -15.8387 -11.3908 -11.3908 -11.2929 -11.2929 -0.5633 -0.5633 -0.0844 -0.0844 0.4907 0.4907 0.5686 0.5686 0.7263 0.7263 1.0231 1.0231 1.0332 1.0332 4.3009 4.3009 5.9558 5.9558 6.4502 6.4502 6.6037 6.6037 6.7289 6.7289 6.7351 6.7351 6.7494 6.7494 7.6908 7.6908 k = 0.0000 0.0000 1.5960 ( 7830 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9383 -17.9383 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2546 -0.2546 -0.2509 -0.2509 0.2829 0.2829 0.3185 0.3185 0.3425 0.3425 0.6024 0.6024 0.6503 0.6503 4.9986 4.9986 5.1702 5.1702 5.6233 5.6233 6.2780 6.2780 7.1406 7.1406 7.4198 7.4198 7.5769 7.5769 7.8982 7.8982 k = 0.0278 0.0092 1.5960 ( 7820 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9383 -17.9383 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4868 -17.4868 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2546 -0.2546 -0.2510 -0.2510 0.2832 0.2832 0.3182 0.3182 0.3425 0.3425 0.6014 0.6014 0.6511 0.6511 4.9997 4.9997 5.1685 5.1685 5.6230 5.6230 6.2824 6.2824 7.1168 7.1168 7.4449 7.4449 7.5798 7.5798 7.8967 7.8967 k = 0.0556 0.0183 1.5960 ( 7812 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9383 -17.9383 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4868 -17.4868 -17.4863 -17.4863 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2546 -0.2546 -0.2510 -0.2510 0.2840 0.2840 0.3176 0.3176 0.3426 0.3426 0.5989 0.5989 0.6535 0.6535 5.0028 5.0028 5.1635 5.1635 5.6222 5.6222 6.2953 6.2953 7.0616 7.0616 7.5046 7.5046 7.5885 7.5885 7.8921 7.8921 k = 0.0833 0.0275 1.5960 ( 7814 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9383 -17.9383 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4868 -17.4868 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2545 -0.2545 -0.2510 -0.2510 0.2852 0.2852 0.3165 0.3165 0.3427 0.3427 0.5954 0.5954 0.6568 0.6568 5.0079 5.0079 5.1556 5.1556 5.6209 5.6209 6.3163 6.3163 6.9940 6.9940 7.5794 7.5794 7.6025 7.6025 7.8846 7.8846 k = 0.1111 0.0367 1.5960 ( 7816 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9383 -17.9383 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4868 -17.4868 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2545 -0.2545 -0.2511 -0.2511 0.2869 0.2869 0.3151 0.3151 0.3428 0.3428 0.5916 0.5916 0.6603 0.6603 5.0150 5.0150 5.1450 5.1450 5.6193 5.6193 6.3451 6.3451 6.9225 6.9225 7.6208 7.6208 7.6611 7.6611 7.8741 7.8741 k = 0.1389 0.0458 1.5960 ( 7814 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2544 -0.2544 -0.2512 -0.2512 0.2888 0.2888 0.3133 0.3133 0.3429 0.3429 0.5879 0.5879 0.6637 0.6637 5.0240 5.0240 5.1325 5.1325 5.6177 5.6177 6.3810 6.3810 6.8507 6.8507 7.6426 7.6426 7.7461 7.7461 7.8609 7.8609 k = 0.1667 0.0550 1.5960 ( 7810 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2543 -0.2543 -0.2512 -0.2512 0.2910 0.2910 0.3114 0.3114 0.3429 0.3429 0.5847 0.5847 0.6666 0.6666 5.0346 5.0346 5.1186 5.1186 5.6162 5.6162 6.4234 6.4234 6.7800 6.7800 7.6662 7.6662 7.8316 7.8316 7.8466 7.8466 k = 0.1944 0.0641 1.5960 ( 7814 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2543 -0.2543 -0.2513 -0.2513 0.2932 0.2932 0.3094 0.3094 0.3430 0.3430 0.5823 0.5823 0.6689 0.6689 5.0467 5.0467 5.1038 5.1038 5.6149 5.6149 6.4716 6.4716 6.7116 6.7116 7.6895 7.6895 7.8284 7.8284 7.9207 7.9207 k = 0.2222 0.0733 1.5960 ( 7824 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4868 -17.4868 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2542 -0.2542 -0.2513 -0.2513 0.2949 0.2949 0.3078 0.3078 0.3431 0.3431 0.5807 0.5807 0.6702 0.6702 5.0600 5.0600 5.0887 5.0887 5.6141 5.6141 6.5249 6.5249 6.6461 6.6461 7.7088 7.7088 7.8137 7.8137 8.0080 8.0080 k = 0.2500 0.0825 1.5960 ( 7824 PWs) bands (ev): -36.6720 -36.6720 -36.6720 -36.6720 -35.0588 -35.0588 -17.9382 -17.9382 -17.9382 -17.9382 -17.5996 -17.5996 -17.5995 -17.5995 -17.4867 -17.4867 -17.4864 -17.4864 -16.3488 -16.3488 -15.9758 -15.9758 -15.8547 -15.8547 -11.2601 -11.2601 -11.2523 -11.2523 -0.2542 -0.2542 -0.2513 -0.2513 0.2957 0.2957 0.3071 0.3071 0.3431 0.3431 0.5802 0.5802 0.6707 0.6707 5.0728 5.0728 5.0754 5.0754 5.6138 5.6138 6.5772 6.5772 6.5897 6.5897 7.7169 7.7169 7.8072 7.8072 8.0857 8.0864 Writing output data file Ca3SiBr2.save init_run : 0.50s CPU 1.01s WALL ( 1 calls) electrons : 1308.82s CPU 1319.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.10s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 1308.80s CPU 1319.01s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.08s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.13s WALL ( 295 calls) cegterg : 1244.86s CPU 1251.84s WALL ( 1324 calls) Called by sum_band: Called by *egterg: h_psi : 991.46s CPU 996.35s WALL ( 26302 calls) s_psi : 16.84s CPU 16.72s WALL ( 26302 calls) g_psi : 0.91s CPU 0.88s WALL ( 24683 calls) cdiaghg : 207.02s CPU 209.54s WALL ( 24978 calls) cegterg:over : 28.21s CPU 28.02s WALL ( 24683 calls) cegterg:upda : 32.52s CPU 32.67s WALL ( 24683 calls) cegterg:last : 9.06s CPU 9.15s WALL ( 2355 calls) cdiaghg:chol : 12.19s CPU 12.16s WALL ( 24978 calls) cdiaghg:inve : 8.17s CPU 8.18s WALL ( 24978 calls) cdiaghg:para : 12.96s CPU 12.91s WALL ( 49956 calls) Called by h_psi: h_psi:vloc : 949.79s CPU 954.03s WALL ( 26302 calls) h_psi:vnl : 40.58s CPU 41.14s WALL ( 26302 calls) add_vuspsi : 20.26s CPU 20.47s WALL ( 26302 calls) General routines calbec : 20.24s CPU 20.59s WALL ( 26302 calls) fft : 0.02s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 889.37s CPU 893.70s WALL ( 1628616 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.26s CPU 1.71s WALL ( 590 calls) Parallel routines fft_scatter : 171.40s CPU 172.24s WALL ( 1628639 calls) PWSCF : 22m13.52s CPU 23m 1.69s WALL This run was terminated on: 16:28:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=