Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:16:45 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: ./ZrAg2.save/ 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 28 28 8 376 376 62 Max 29 29 9 379 379 65 Sum 1039 1039 313 13613 13613 2315 bravais-lattice index = 14 lattice parameter (alat) = 8.6803 a.u. unit-cell volume = 283.9298 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.680320 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.749237 celldm(5)= -0.749237 celldm(6)= 0.498473 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.498473 0.866905 0.000000 ) a(3) = ( -0.749237 -0.433453 0.500763 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.575003 0.998477 ) b(2) = ( 0.000000 1.153529 0.998477 ) b(3) = ( 0.000000 0.000000 1.996953 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 Zr 4.00 91.22400 Zr( 1.00) Ag 11.00 107.86820 Ag( 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= 442 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 2) = ( 0.0000000 0.0000000 0.0144707), wk = 0.0022624 k( 3) = ( 0.0000000 0.0000000 0.0289413), wk = 0.0022624 k( 4) = ( 0.0000000 0.0000000 0.0434120), wk = 0.0022624 k( 5) = ( 0.0000000 0.0000000 0.0578827), wk = 0.0022624 k( 6) = ( 0.0000000 0.0000000 0.0723534), wk = 0.0022624 k( 7) = ( 0.0000000 0.0000000 0.0868240), wk = 0.0022624 k( 8) = ( 0.0000000 0.0000000 0.1012947), wk = 0.0022624 k( 9) = ( 0.0000000 0.0000000 0.1157654), wk = 0.0022624 k( 10) = ( 0.0000000 0.0000000 0.1302361), wk = 0.0022624 k( 11) = ( 0.0000000 0.0000000 0.1447067), wk = 0.0022624 k( 12) = ( 0.0000000 0.0000000 0.1591774), wk = 0.0022624 k( 13) = ( 0.0000000 0.0000000 0.1736481), wk = 0.0022624 k( 14) = ( 0.0000000 0.0000000 0.1881188), wk = 0.0022624 k( 15) = ( 0.0000000 0.0000000 0.2025894), wk = 0.0022624 k( 16) = ( 0.0000000 0.0000000 0.2170601), wk = 0.0022624 k( 17) = ( 0.0000000 0.0000000 0.2315308), wk = 0.0022624 k( 18) = ( 0.0000000 0.0000000 0.2460015), wk = 0.0022624 k( 19) = ( 0.0000000 0.0000000 0.2604721), wk = 0.0022624 k( 20) = ( 0.0000000 0.0000000 0.2749428), wk = 0.0022624 k( 21) = ( 0.0000000 0.0000000 0.2894135), wk = 0.0022624 k( 22) = ( 0.0000000 0.0000000 0.3038841), wk = 0.0022624 k( 23) = ( 0.0000000 0.0000000 0.3183548), wk = 0.0022624 k( 24) = ( 0.0000000 0.0000000 0.3328255), wk = 0.0022624 k( 25) = ( 0.0000000 0.0000000 0.3472962), wk = 0.0022624 k( 26) = ( 0.0000000 0.0000000 0.3617668), wk = 0.0022624 k( 27) = ( 0.0000000 0.0000000 0.3762375), wk = 0.0022624 k( 28) = ( 0.0000000 0.0000000 0.3907082), wk = 0.0022624 k( 29) = ( 0.0000000 0.0000000 0.4051789), wk = 0.0022624 k( 30) = ( 0.0000000 0.0000000 0.4196495), wk = 0.0022624 k( 31) = ( 0.0000000 0.0000000 0.4341202), wk = 0.0022624 k( 32) = ( 0.0000000 0.0000000 0.4485909), wk = 0.0022624 k( 33) = ( 0.0000000 0.0000000 0.4630616), wk = 0.0022624 k( 34) = ( 0.0000000 0.0000000 0.4775322), wk = 0.0022624 k( 35) = ( 0.0000000 0.0000000 0.4920029), wk = 0.0022624 k( 36) = ( 0.0000000 0.0000000 0.5064736), wk = 0.0022624 k( 37) = ( 0.0000000 0.0000000 0.5209443), wk = 0.0022624 k( 38) = ( 0.0000000 0.0000000 0.5354149), wk = 0.0022624 k( 39) = ( 0.0000000 0.0000000 0.5498856), wk = 0.0022624 k( 40) = ( 0.0000000 0.0000000 0.5643563), wk = 0.0022624 k( 41) = ( 0.0000000 0.0000000 0.5788270), wk = 0.0022624 k( 42) = ( 0.0000000 0.0000000 0.5932976), wk = 0.0022624 k( 43) = ( 0.0000000 0.0000000 0.6077683), wk = 0.0022624 k( 44) = ( 0.0000000 0.0000000 0.6222390), wk = 0.0022624 k( 45) = ( 0.0000000 0.0000000 0.6367097), wk = 0.0022624 k( 46) = ( 0.0000000 0.0000000 0.6511803), wk = 0.0022624 k( 47) = ( 0.0000000 0.0000000 0.6656510), wk = 0.0022624 k( 48) = ( 0.0000000 0.0000000 0.6801217), wk = 0.0022624 k( 49) = ( 0.0000000 0.0000000 0.6945924), wk = 0.0022624 k( 50) = ( 0.0000000 0.0000000 0.7090630), wk = 0.0022624 k( 51) = ( 0.0000000 0.0000000 0.7235337), wk = 0.0022624 k( 52) = ( 0.0000000 0.0000000 0.7380044), wk = 0.0022624 k( 53) = ( 0.0000000 0.0000000 0.7524750), wk = 0.0022624 k( 54) = ( 0.0000000 0.0000000 0.7669457), wk = 0.0022624 k( 55) = ( 0.0000000 0.0000000 0.7814164), wk = 0.0022624 k( 56) = ( 0.0000000 0.0000000 0.7958871), wk = 0.0022624 k( 57) = ( 0.0000000 0.0000000 0.8103577), wk = 0.0022624 k( 58) = ( 0.0000000 0.0000000 0.8248284), wk = 0.0022624 k( 59) = ( 0.0000000 0.0000000 0.8392991), wk = 0.0022624 k( 60) = ( 0.0000000 0.0000000 0.8537698), wk = 0.0022624 k( 61) = ( 0.0000000 0.0000000 0.8682404), wk = 0.0022624 k( 62) = ( 0.0000000 0.0000000 0.8827111), wk = 0.0022624 k( 63) = ( 0.0000000 0.0000000 0.8971818), wk = 0.0022624 k( 64) = ( 0.0000000 0.0000000 0.9116525), wk = 0.0022624 k( 65) = ( 0.0000000 0.0000000 0.9261231), wk = 0.0022624 k( 66) = ( 0.0000000 0.0000000 0.9405938), wk = 0.0022624 k( 67) = ( 0.0000000 0.0000000 0.9550645), wk = 0.0022624 k( 68) = ( 0.0000000 0.0000000 0.9695352), wk = 0.0022624 k( 69) = ( 0.0000000 0.0000000 0.9840058), wk = 0.0022624 k( 70) = ( 0.0000000 0.0000000 0.9984765), wk = 0.0022624 k( 71) = ( 0.0000000 0.0000000 0.9984765), wk = 0.0022624 k( 72) = ( -0.0069727 0.0120526 0.9984765), wk = 0.0022624 k( 73) = ( -0.0139455 0.0241052 0.9984765), wk = 0.0022624 k( 74) = ( -0.0209182 0.0361579 0.9984765), wk = 0.0022624 k( 75) = ( -0.0278910 0.0482105 0.9984765), wk = 0.0022624 k( 76) = ( -0.0348637 0.0602631 0.9984765), wk = 0.0022624 k( 77) = ( -0.0418365 0.0723157 0.9984765), wk = 0.0022624 k( 78) = ( -0.0488093 0.0843683 0.9984765), wk = 0.0022624 k( 79) = ( -0.0557820 0.0964210 0.9984765), wk = 0.0022624 k( 80) = ( -0.0627548 0.1084736 0.9984765), wk = 0.0022624 k( 81) = ( -0.0697275 0.1205262 0.9984765), wk = 0.0022624 k( 82) = ( -0.0767003 0.1325788 0.9984765), wk = 0.0022624 k( 83) = ( -0.0836730 0.1446314 0.9984765), wk = 0.0022624 k( 84) = ( -0.0836730 0.1446314 0.9984765), wk = 0.0022624 k( 85) = ( -0.0887502 0.1534075 0.9883377), wk = 0.0022624 k( 86) = ( -0.0938273 0.1621835 0.9781988), wk = 0.0022624 k( 87) = ( -0.0989045 0.1709595 0.9680600), wk = 0.0022624 k( 88) = ( -0.1039816 0.1797355 0.9579211), wk = 0.0022624 k( 89) = ( -0.1090588 0.1885116 0.9477823), wk = 0.0022624 k( 90) = ( -0.1141360 0.1972876 0.9376434), wk = 0.0022624 k( 91) = ( -0.1192131 0.2060636 0.9275046), wk = 0.0022624 k( 92) = ( -0.1242903 0.2148397 0.9173657), wk = 0.0022624 k( 93) = ( -0.1293674 0.2236157 0.9072269), wk = 0.0022624 k( 94) = ( -0.1344446 0.2323917 0.8970880), wk = 0.0022624 k( 95) = ( -0.1395217 0.2411677 0.8869492), wk = 0.0022624 k( 96) = ( -0.1445989 0.2499438 0.8768103), wk = 0.0022624 k( 97) = ( -0.1496761 0.2587198 0.8666715), wk = 0.0022624 k( 98) = ( -0.1547532 0.2674958 0.8565326), wk = 0.0022624 k( 99) = ( -0.1598304 0.2762719 0.8463938), wk = 0.0022624 k( 100) = ( -0.1649075 0.2850479 0.8362550), wk = 0.0022624 k( 101) = ( -0.1699847 0.2938239 0.8261161), wk = 0.0022624 k( 102) = ( -0.1750619 0.3025999 0.8159773), wk = 0.0022624 k( 103) = ( -0.1801390 0.3113760 0.8058384), wk = 0.0022624 k( 104) = ( -0.1852162 0.3201520 0.7956996), wk = 0.0022624 k( 105) = ( -0.1902933 0.3289280 0.7855607), wk = 0.0022624 k( 106) = ( -0.1953705 0.3377041 0.7754219), wk = 0.0022624 k( 107) = ( -0.2004477 0.3464801 0.7652830), wk = 0.0022624 k( 108) = ( -0.2055248 0.3552561 0.7551442), wk = 0.0022624 k( 109) = ( -0.2106020 0.3640321 0.7450053), wk = 0.0022624 k( 110) = ( -0.2156791 0.3728082 0.7348665), wk = 0.0022624 k( 111) = ( -0.2207563 0.3815842 0.7247276), wk = 0.0022624 k( 112) = ( -0.2258334 0.3903602 0.7145888), wk = 0.0022624 k( 113) = ( -0.2309106 0.3991363 0.7044500), wk = 0.0022624 k( 114) = ( -0.2359878 0.4079123 0.6943111), wk = 0.0022624 k( 115) = ( -0.2410649 0.4166883 0.6841723), wk = 0.0022624 k( 116) = ( -0.2461421 0.4254644 0.6740334), wk = 0.0022624 k( 117) = ( -0.2512192 0.4342404 0.6638946), wk = 0.0022624 k( 118) = ( -0.2562964 0.4430164 0.6537557), wk = 0.0022624 k( 119) = ( -0.2613736 0.4517924 0.6436169), wk = 0.0022624 k( 120) = ( -0.2664507 0.4605685 0.6334780), wk = 0.0022624 k( 121) = ( -0.2715279 0.4693445 0.6233392), wk = 0.0022624 k( 122) = ( -0.2766050 0.4781205 0.6132003), wk = 0.0022624 k( 123) = ( -0.2816822 0.4868966 0.6030615), wk = 0.0022624 k( 124) = ( -0.2867594 0.4956726 0.5929226), wk = 0.0022624 k( 125) = ( -0.2918365 0.5044486 0.5827838), wk = 0.0022624 k( 126) = ( -0.2918365 0.5044486 0.5827838), wk = 0.0022624 k( 127) = ( -0.2867166 0.4955986 0.5725595), wk = 0.0022624 k( 128) = ( -0.2815966 0.4867487 0.5623352), wk = 0.0022624 k( 129) = ( -0.2764767 0.4778987 0.5521110), wk = 0.0022624 k( 130) = ( -0.2713567 0.4690487 0.5418867), wk = 0.0022624 k( 131) = ( -0.2662368 0.4601987 0.5316624), wk = 0.0022624 k( 132) = ( -0.2611169 0.4513487 0.5214381), wk = 0.0022624 k( 133) = ( -0.2559969 0.4424988 0.5112138), wk = 0.0022624 k( 134) = ( -0.2508770 0.4336488 0.5009896), wk = 0.0022624 k( 135) = ( -0.2457571 0.4247988 0.4907653), wk = 0.0022624 k( 136) = ( -0.2406371 0.4159489 0.4805410), wk = 0.0022624 k( 137) = ( -0.2355172 0.4070989 0.4703167), wk = 0.0022624 k( 138) = ( -0.2303972 0.3982489 0.4600925), wk = 0.0022624 k( 139) = ( -0.2252773 0.3893989 0.4498682), wk = 0.0022624 k( 140) = ( -0.2201574 0.3805489 0.4396439), wk = 0.0022624 k( 141) = ( -0.2150374 0.3716990 0.4294196), wk = 0.0022624 k( 142) = ( -0.2099175 0.3628490 0.4191954), wk = 0.0022624 k( 143) = ( -0.2047975 0.3539990 0.4089711), wk = 0.0022624 k( 144) = ( -0.1996776 0.3451490 0.3987468), wk = 0.0022624 k( 145) = ( -0.1945577 0.3362991 0.3885225), wk = 0.0022624 k( 146) = ( -0.1894377 0.3274491 0.3782982), wk = 0.0022624 k( 147) = ( -0.1843178 0.3185991 0.3680740), wk = 0.0022624 k( 148) = ( -0.1791978 0.3097491 0.3578497), wk = 0.0022624 k( 149) = ( -0.1740779 0.3008992 0.3476254), wk = 0.0022624 k( 150) = ( -0.1689580 0.2920492 0.3374011), wk = 0.0022624 k( 151) = ( -0.1638380 0.2831992 0.3271769), wk = 0.0022624 k( 152) = ( -0.1587181 0.2743492 0.3169526), wk = 0.0022624 k( 153) = ( -0.1535982 0.2654993 0.3067283), wk = 0.0022624 k( 154) = ( -0.1484782 0.2566493 0.2965040), wk = 0.0022624 k( 155) = ( -0.1433583 0.2477993 0.2862797), wk = 0.0022624 k( 156) = ( -0.1382383 0.2389493 0.2760555), wk = 0.0022624 k( 157) = ( -0.1331184 0.2300994 0.2658312), wk = 0.0022624 k( 158) = ( -0.1279985 0.2212494 0.2556069), wk = 0.0022624 k( 159) = ( -0.1228785 0.2123994 0.2453826), wk = 0.0022624 k( 160) = ( -0.1177586 0.2035494 0.2351584), wk = 0.0022624 k( 161) = ( -0.1126387 0.1946995 0.2249341), wk = 0.0022624 k( 162) = ( -0.1075187 0.1858495 0.2147098), wk = 0.0022624 k( 163) = ( -0.1023988 0.1769995 0.2044855), wk = 0.0022624 k( 164) = ( -0.0972788 0.1681495 0.1942613), wk = 0.0022624 k( 165) = ( -0.0921589 0.1592996 0.1840370), wk = 0.0022624 k( 166) = ( -0.0870390 0.1504496 0.1738127), wk = 0.0022624 k( 167) = ( -0.0819190 0.1415996 0.1635884), wk = 0.0022624 k( 168) = ( -0.0767991 0.1327496 0.1533642), wk = 0.0022624 k( 169) = ( -0.0716791 0.1238997 0.1431399), wk = 0.0022624 k( 170) = ( -0.0665592 0.1150497 0.1329156), wk = 0.0022624 k( 171) = ( -0.0614393 0.1061997 0.1226913), wk = 0.0022624 k( 172) = ( -0.0563193 0.0973497 0.1124671), wk = 0.0022624 k( 173) = ( -0.0511994 0.0884998 0.1022428), wk = 0.0022624 k( 174) = ( -0.0460795 0.0796498 0.0920185), wk = 0.0022624 k( 175) = ( -0.0409595 0.0707998 0.0817942), wk = 0.0022624 k( 176) = ( -0.0358396 0.0619498 0.0715699), wk = 0.0022624 k( 177) = ( -0.0307196 0.0530998 0.0613457), wk = 0.0022624 k( 178) = ( -0.0255997 0.0442499 0.0511214), wk = 0.0022624 k( 179) = ( -0.0204798 0.0353999 0.0408971), wk = 0.0022624 k( 180) = ( -0.0153598 0.0265499 0.0306728), wk = 0.0022624 k( 181) = ( -0.0102399 0.0177000 0.0204486), wk = 0.0022624 k( 182) = ( -0.0051199 0.0088500 0.0102243), wk = 0.0022624 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 185) = ( 0.0125000 0.0072316 -0.0000000), wk = 0.0022624 k( 186) = ( 0.0250000 0.0144631 -0.0000000), wk = 0.0022624 k( 187) = ( 0.0375000 0.0216947 -0.0000000), wk = 0.0022624 k( 188) = ( 0.0500000 0.0289263 -0.0000000), wk = 0.0022624 k( 189) = ( 0.0625000 0.0361579 -0.0000000), wk = 0.0022624 k( 190) = ( 0.0750000 0.0433894 -0.0000000), wk = 0.0022624 k( 191) = ( 0.0875000 0.0506210 -0.0000000), wk = 0.0022624 k( 192) = ( 0.1000000 0.0578526 -0.0000000), wk = 0.0022624 k( 193) = ( 0.1125000 0.0650841 -0.0000000), wk = 0.0022624 k( 194) = ( 0.1250000 0.0723157 -0.0000000), wk = 0.0022624 k( 195) = ( 0.1375000 0.0795473 -0.0000000), wk = 0.0022624 k( 196) = ( 0.1500000 0.0867789 -0.0000000), wk = 0.0022624 k( 197) = ( 0.1625000 0.0940104 -0.0000000), wk = 0.0022624 k( 198) = ( 0.1750000 0.1012420 -0.0000000), wk = 0.0022624 k( 199) = ( 0.1875000 0.1084736 -0.0000000), wk = 0.0022624 k( 200) = ( 0.2000000 0.1157051 -0.0000000), wk = 0.0022624 k( 201) = ( 0.2125000 0.1229367 -0.0000000), wk = 0.0022624 k( 202) = ( 0.2250000 0.1301683 -0.0000000), wk = 0.0022624 k( 203) = ( 0.2375000 0.1373999 -0.0000000), wk = 0.0022624 k( 204) = ( 0.2500000 0.1446314 -0.0000000), wk = 0.0022624 k( 205) = ( 0.2625000 0.1518630 -0.0000000), wk = 0.0022624 k( 206) = ( 0.2750000 0.1590946 -0.0000000), wk = 0.0022624 k( 207) = ( 0.2875000 0.1663262 -0.0000000), wk = 0.0022624 k( 208) = ( 0.3000000 0.1735577 -0.0000000), wk = 0.0022624 k( 209) = ( 0.3125000 0.1807893 -0.0000000), wk = 0.0022624 k( 210) = ( 0.3250000 0.1880209 -0.0000000), wk = 0.0022624 k( 211) = ( 0.3375000 0.1952524 -0.0000000), wk = 0.0022624 k( 212) = ( 0.3500000 0.2024840 -0.0000000), wk = 0.0022624 k( 213) = ( 0.3625000 0.2097156 -0.0000000), wk = 0.0022624 k( 214) = ( 0.3750000 0.2169472 -0.0000000), wk = 0.0022624 k( 215) = ( 0.3875000 0.2241787 -0.0000000), wk = 0.0022624 k( 216) = ( 0.4000000 0.2314103 -0.0000000), wk = 0.0022624 k( 217) = ( 0.4125000 0.2386419 -0.0000000), wk = 0.0022624 k( 218) = ( 0.4250000 0.2458734 -0.0000000), wk = 0.0022624 k( 219) = ( 0.4375000 0.2531050 -0.0000000), wk = 0.0022624 k( 220) = ( 0.4500000 0.2603366 -0.0000000), wk = 0.0022624 k( 221) = ( 0.4625000 0.2675682 -0.0000000), wk = 0.0022624 k( 222) = ( 0.4750000 0.2747997 -0.0000000), wk = 0.0022624 k( 223) = ( 0.4875000 0.2820313 -0.0000000), wk = 0.0022624 k( 224) = ( 0.5000000 0.2892629 -0.0000000), wk = 0.0022624 k( 225) = ( 0.5000000 0.2892629 -0.0000000), wk = 0.0022624 k( 226) = ( 0.4949228 0.2980389 0.0101388), wk = 0.0022624 k( 227) = ( 0.4898457 0.3068149 0.0202777), wk = 0.0022624 k( 228) = ( 0.4847685 0.3155910 0.0304165), wk = 0.0022624 k( 229) = ( 0.4796914 0.3243670 0.0405554), wk = 0.0022624 k( 230) = ( 0.4746142 0.3331430 0.0506942), wk = 0.0022624 k( 231) = ( 0.4695371 0.3419190 0.0608331), wk = 0.0022624 k( 232) = ( 0.4644599 0.3506951 0.0709719), wk = 0.0022624 k( 233) = ( 0.4593827 0.3594711 0.0811108), wk = 0.0022624 k( 234) = ( 0.4543056 0.3682471 0.0912496), wk = 0.0022624 k( 235) = ( 0.4492284 0.3770231 0.1013885), wk = 0.0022624 k( 236) = ( 0.4441513 0.3857992 0.1115273), wk = 0.0022624 k( 237) = ( 0.4390741 0.3945752 0.1216662), wk = 0.0022624 k( 238) = ( 0.4339969 0.4033512 0.1318050), wk = 0.0022624 k( 239) = ( 0.4289198 0.4121273 0.1419439), wk = 0.0022624 k( 240) = ( 0.4238426 0.4209033 0.1520827), wk = 0.0022624 k( 241) = ( 0.4187655 0.4296793 0.1622215), wk = 0.0022624 k( 242) = ( 0.4136883 0.4384554 0.1723604), wk = 0.0022624 k( 243) = ( 0.4086111 0.4472314 0.1824992), wk = 0.0022624 k( 244) = ( 0.4035340 0.4560074 0.1926381), wk = 0.0022624 k( 245) = ( 0.3984568 0.4647834 0.2027769), wk = 0.0022624 k( 246) = ( 0.3933797 0.4735595 0.2129158), wk = 0.0022624 k( 247) = ( 0.3883025 0.4823355 0.2230546), wk = 0.0022624 k( 248) = ( 0.3832254 0.4911115 0.2331935), wk = 0.0022624 k( 249) = ( 0.3781482 0.4998876 0.2433323), wk = 0.0022624 k( 250) = ( 0.3730710 0.5086636 0.2534712), wk = 0.0022624 k( 251) = ( 0.3679939 0.5174396 0.2636100), wk = 0.0022624 k( 252) = ( 0.3629167 0.5262156 0.2737489), wk = 0.0022624 k( 253) = ( 0.3578396 0.5349917 0.2838877), wk = 0.0022624 k( 254) = ( 0.3527624 0.5437677 0.2940265), wk = 0.0022624 k( 255) = ( 0.3476853 0.5525437 0.3041654), wk = 0.0022624 k( 256) = ( 0.3426081 0.5613198 0.3143042), wk = 0.0022624 k( 257) = ( 0.3375309 0.5700958 0.3244431), wk = 0.0022624 k( 258) = ( 0.3324538 0.5788718 0.3345819), wk = 0.0022624 k( 259) = ( 0.3273766 0.5876478 0.3447208), wk = 0.0022624 k( 260) = ( 0.3222995 0.5964239 0.3548596), wk = 0.0022624 k( 261) = ( 0.3172223 0.6051999 0.3649985), wk = 0.0022624 k( 262) = ( 0.3121451 0.6139759 0.3751373), wk = 0.0022624 k( 263) = ( 0.3070680 0.6227520 0.3852762), wk = 0.0022624 k( 264) = ( 0.3019908 0.6315280 0.3954150), wk = 0.0022624 k( 265) = ( 0.2969137 0.6403040 0.4055539), wk = 0.0022624 k( 266) = ( 0.2918365 0.6490800 0.4156927), wk = 0.0022624 k( 267) = ( 0.2918365 0.6490800 0.4156927), wk = 0.0022624 k( 268) = ( 0.2785712 0.6457930 0.4194902), wk = 0.0022624 k( 269) = ( 0.2653059 0.6425059 0.4232878), wk = 0.0022624 k( 270) = ( 0.2520406 0.6392188 0.4270853), wk = 0.0022624 k( 271) = ( 0.2387753 0.6359317 0.4308828), wk = 0.0022624 k( 272) = ( 0.2255100 0.6326446 0.4346803), wk = 0.0022624 k( 273) = ( 0.2122447 0.6293576 0.4384779), wk = 0.0022624 k( 274) = ( 0.1989794 0.6260705 0.4422754), wk = 0.0022624 k( 275) = ( 0.1857141 0.6227834 0.4460729), wk = 0.0022624 k( 276) = ( 0.1724488 0.6194963 0.4498704), wk = 0.0022624 k( 277) = ( 0.1591836 0.6162093 0.4536680), wk = 0.0022624 k( 278) = ( 0.1459182 0.6129222 0.4574655), wk = 0.0022624 k( 279) = ( 0.1326530 0.6096351 0.4612630), wk = 0.0022624 k( 280) = ( 0.1193877 0.6063480 0.4650605), wk = 0.0022624 k( 281) = ( 0.1061224 0.6030609 0.4688581), wk = 0.0022624 k( 282) = ( 0.0928571 0.5997739 0.4726556), wk = 0.0022624 k( 283) = ( 0.0795918 0.5964868 0.4764531), wk = 0.0022624 k( 284) = ( 0.0663265 0.5931997 0.4802506), wk = 0.0022624 k( 285) = ( 0.0530612 0.5899126 0.4840482), wk = 0.0022624 k( 286) = ( 0.0397959 0.5866256 0.4878457), wk = 0.0022624 k( 287) = ( 0.0265306 0.5833385 0.4916432), wk = 0.0022624 k( 288) = ( 0.0132653 0.5800514 0.4954407), wk = 0.0022624 k( 289) = ( 0.0000000 0.5767643 0.4992383), wk = 0.0022624 k( 290) = ( 0.0000000 0.5767643 0.4992383), wk = 0.0022624 k( 291) = ( 0.0051020 0.5679453 0.5094268), wk = 0.0022624 k( 292) = ( 0.0102041 0.5591262 0.5196153), wk = 0.0022624 k( 293) = ( 0.0153061 0.5503072 0.5298039), wk = 0.0022624 k( 294) = ( 0.0204082 0.5414882 0.5399924), wk = 0.0022624 k( 295) = ( 0.0255102 0.5326691 0.5501809), wk = 0.0022624 k( 296) = ( 0.0306122 0.5238501 0.5603695), wk = 0.0022624 k( 297) = ( 0.0357143 0.5150310 0.5705580), wk = 0.0022624 k( 298) = ( 0.0408163 0.5062120 0.5807465), wk = 0.0022624 k( 299) = ( 0.0459184 0.4973930 0.5909351), wk = 0.0022624 k( 300) = ( 0.0510204 0.4885739 0.6011236), wk = 0.0022624 k( 301) = ( 0.0561224 0.4797549 0.6113121), wk = 0.0022624 k( 302) = ( 0.0612245 0.4709359 0.6215007), wk = 0.0022624 k( 303) = ( 0.0663265 0.4621168 0.6316892), wk = 0.0022624 k( 304) = ( 0.0714286 0.4532978 0.6418777), wk = 0.0022624 k( 305) = ( 0.0765306 0.4444787 0.6520663), wk = 0.0022624 k( 306) = ( 0.0816327 0.4356597 0.6622548), wk = 0.0022624 k( 307) = ( 0.0867347 0.4268407 0.6724434), wk = 0.0022624 k( 308) = ( 0.0918367 0.4180216 0.6826319), wk = 0.0022624 k( 309) = ( 0.0969388 0.4092026 0.6928204), wk = 0.0022624 k( 310) = ( 0.1020408 0.4003835 0.7030090), wk = 0.0022624 k( 311) = ( 0.1071429 0.3915645 0.7131975), wk = 0.0022624 k( 312) = ( 0.1122449 0.3827455 0.7233860), wk = 0.0022624 k( 313) = ( 0.1173469 0.3739264 0.7335746), wk = 0.0022624 k( 314) = ( 0.1224490 0.3651074 0.7437631), wk = 0.0022624 k( 315) = ( 0.1275510 0.3562884 0.7539516), wk = 0.0022624 k( 316) = ( 0.1326531 0.3474693 0.7641402), wk = 0.0022624 k( 317) = ( 0.1377551 0.3386503 0.7743287), wk = 0.0022624 k( 318) = ( 0.1428571 0.3298312 0.7845172), wk = 0.0022624 k( 319) = ( 0.1479592 0.3210122 0.7947058), wk = 0.0022624 k( 320) = ( 0.1530612 0.3121932 0.8048943), wk = 0.0022624 k( 321) = ( 0.1581633 0.3033741 0.8150829), wk = 0.0022624 k( 322) = ( 0.1632653 0.2945551 0.8252714), wk = 0.0022624 k( 323) = ( 0.1683673 0.2857360 0.8354599), wk = 0.0022624 k( 324) = ( 0.1734694 0.2769170 0.8456485), wk = 0.0022624 k( 325) = ( 0.1785714 0.2680980 0.8558370), wk = 0.0022624 k( 326) = ( 0.1836735 0.2592789 0.8660255), wk = 0.0022624 k( 327) = ( 0.1887755 0.2504599 0.8762141), wk = 0.0022624 k( 328) = ( 0.1938776 0.2416409 0.8864026), wk = 0.0022624 k( 329) = ( 0.1989796 0.2328218 0.8965911), wk = 0.0022624 k( 330) = ( 0.2040816 0.2240028 0.9067797), wk = 0.0022624 k( 331) = ( 0.2091837 0.2151838 0.9169682), wk = 0.0022624 k( 332) = ( 0.2142857 0.2063647 0.9271567), wk = 0.0022624 k( 333) = ( 0.2193878 0.1975457 0.9373453), wk = 0.0022624 k( 334) = ( 0.2244898 0.1887266 0.9475338), wk = 0.0022624 k( 335) = ( 0.2295918 0.1799076 0.9577224), wk = 0.0022624 k( 336) = ( 0.2346939 0.1710885 0.9679109), wk = 0.0022624 k( 337) = ( 0.2397959 0.1622695 0.9780994), wk = 0.0022624 k( 338) = ( 0.2448980 0.1534505 0.9882880), wk = 0.0022624 k( 339) = ( 0.2500000 0.1446314 0.9984765), wk = 0.0022624 k( 340) = ( 0.2500000 0.1446314 0.9984765), wk = 0.0022624 k( 341) = ( 0.2608696 0.1509198 0.9912117), wk = 0.0022624 k( 342) = ( 0.2717391 0.1572081 0.9839469), wk = 0.0022624 k( 343) = ( 0.2826087 0.1634964 0.9766820), wk = 0.0022624 k( 344) = ( 0.2934783 0.1697847 0.9694172), wk = 0.0022624 k( 345) = ( 0.3043478 0.1760731 0.9621524), wk = 0.0022624 k( 346) = ( 0.3152174 0.1823614 0.9548875), wk = 0.0022624 k( 347) = ( 0.3260870 0.1886497 0.9476227), wk = 0.0022624 k( 348) = ( 0.3369565 0.1949380 0.9403579), wk = 0.0022624 k( 349) = ( 0.3478261 0.2012263 0.9330930), wk = 0.0022624 k( 350) = ( 0.3586956 0.2075147 0.9258282), wk = 0.0022624 k( 351) = ( 0.3695652 0.2138030 0.9185634), wk = 0.0022624 k( 352) = ( 0.3804348 0.2200913 0.9112985), wk = 0.0022624 k( 353) = ( 0.3913044 0.2263796 0.9040337), wk = 0.0022624 k( 354) = ( 0.4021739 0.2326680 0.8967689), wk = 0.0022624 k( 355) = ( 0.4130435 0.2389563 0.8895041), wk = 0.0022624 k( 356) = ( 0.4239130 0.2452446 0.8822392), wk = 0.0022624 k( 357) = ( 0.4347826 0.2515329 0.8749744), wk = 0.0022624 k( 358) = ( 0.4456522 0.2578213 0.8677096), wk = 0.0022624 k( 359) = ( 0.4565217 0.2641096 0.8604448), wk = 0.0022624 k( 360) = ( 0.4673913 0.2703979 0.8531799), wk = 0.0022624 k( 361) = ( 0.4782609 0.2766862 0.8459151), wk = 0.0022624 k( 362) = ( 0.4891304 0.2829745 0.8386502), wk = 0.0022624 k( 363) = ( 0.5000000 0.2892629 0.8313854), wk = 0.0022624 k( 364) = ( 0.5000000 0.2892629 0.8313854), wk = 0.0022624 k( 365) = ( 0.5000000 0.2892629 0.8167997), wk = 0.0022624 k( 366) = ( 0.5000000 0.2892629 0.8022140), wk = 0.0022624 k( 367) = ( 0.5000000 0.2892629 0.7876283), wk = 0.0022624 k( 368) = ( 0.5000000 0.2892629 0.7730426), wk = 0.0022624 k( 369) = ( 0.5000000 0.2892629 0.7584569), wk = 0.0022624 k( 370) = ( 0.5000000 0.2892629 0.7438712), wk = 0.0022624 k( 371) = ( 0.5000000 0.2892629 0.7292855), wk = 0.0022624 k( 372) = ( 0.5000000 0.2892629 0.7146998), wk = 0.0022624 k( 373) = ( 0.5000000 0.2892629 0.7001141), wk = 0.0022624 k( 374) = ( 0.5000000 0.2892629 0.6855283), wk = 0.0022624 k( 375) = ( 0.5000000 0.2892629 0.6709426), wk = 0.0022624 k( 376) = ( 0.5000000 0.2892629 0.6563569), wk = 0.0022624 k( 377) = ( 0.5000000 0.2892629 0.6417712), wk = 0.0022624 k( 378) = ( 0.5000000 0.2892629 0.6271855), wk = 0.0022624 k( 379) = ( 0.5000000 0.2892629 0.6125998), wk = 0.0022624 k( 380) = ( 0.5000000 0.2892629 0.5980141), wk = 0.0022624 k( 381) = ( 0.5000000 0.2892629 0.5834284), wk = 0.0022624 k( 382) = ( 0.5000000 0.2892629 0.5688427), wk = 0.0022624 k( 383) = ( 0.5000000 0.2892629 0.5542570), wk = 0.0022624 k( 384) = ( 0.5000000 0.2892629 0.5396712), wk = 0.0022624 k( 385) = ( 0.5000000 0.2892629 0.5250855), wk = 0.0022624 k( 386) = ( 0.5000000 0.2892629 0.5104998), wk = 0.0022624 k( 387) = ( 0.5000000 0.2892629 0.4959141), wk = 0.0022624 k( 388) = ( 0.5000000 0.2892629 0.4813284), wk = 0.0022624 k( 389) = ( 0.5000000 0.2892629 0.4667427), wk = 0.0022624 k( 390) = ( 0.5000000 0.2892629 0.4521570), wk = 0.0022624 k( 391) = ( 0.5000000 0.2892629 0.4375713), wk = 0.0022624 k( 392) = ( 0.5000000 0.2892629 0.4229856), wk = 0.0022624 k( 393) = ( 0.5000000 0.2892629 0.4083999), wk = 0.0022624 k( 394) = ( 0.5000000 0.2892629 0.3938141), wk = 0.0022624 k( 395) = ( 0.5000000 0.2892629 0.3792284), wk = 0.0022624 k( 396) = ( 0.5000000 0.2892629 0.3646427), wk = 0.0022624 k( 397) = ( 0.5000000 0.2892629 0.3500570), wk = 0.0022624 k( 398) = ( 0.5000000 0.2892629 0.3354713), wk = 0.0022624 k( 399) = ( 0.5000000 0.2892629 0.3208856), wk = 0.0022624 k( 400) = ( 0.5000000 0.2892629 0.3062999), wk = 0.0022624 k( 401) = ( 0.5000000 0.2892629 0.2917142), wk = 0.0022624 k( 402) = ( 0.5000000 0.2892629 0.2771285), wk = 0.0022624 k( 403) = ( 0.5000000 0.2892629 0.2625428), wk = 0.0022624 k( 404) = ( 0.5000000 0.2892629 0.2479571), wk = 0.0022624 k( 405) = ( 0.5000000 0.2892629 0.2333714), wk = 0.0022624 k( 406) = ( 0.5000000 0.2892629 0.2187856), wk = 0.0022624 k( 407) = ( 0.5000000 0.2892629 0.2041999), wk = 0.0022624 k( 408) = ( 0.5000000 0.2892629 0.1896142), wk = 0.0022624 k( 409) = ( 0.5000000 0.2892629 0.1750285), wk = 0.0022624 k( 410) = ( 0.5000000 0.2892629 0.1604428), wk = 0.0022624 k( 411) = ( 0.5000000 0.2892629 0.1458571), wk = 0.0022624 k( 412) = ( 0.5000000 0.2892629 0.1312714), wk = 0.0022624 k( 413) = ( 0.5000000 0.2892629 0.1166857), wk = 0.0022624 k( 414) = ( 0.5000000 0.2892629 0.1021000), wk = 0.0022624 k( 415) = ( 0.5000000 0.2892629 0.0875142), wk = 0.0022624 k( 416) = ( 0.5000000 0.2892629 0.0729285), wk = 0.0022624 k( 417) = ( 0.5000000 0.2892629 0.0583428), wk = 0.0022624 k( 418) = ( 0.5000000 0.2892629 0.0437571), wk = 0.0022624 k( 419) = ( 0.5000000 0.2892629 0.0291714), wk = 0.0022624 k( 420) = ( 0.5000000 0.2892629 0.0145857), wk = 0.0022624 k( 421) = ( 0.5000000 0.2892629 -0.0000000), wk = 0.0022624 k( 422) = ( 0.0000000 0.0000000 0.9984765), wk = 0.0022624 k( 423) = ( 0.0125000 0.0072316 0.9984765), wk = 0.0022624 k( 424) = ( 0.0250000 0.0144631 0.9984765), wk = 0.0022624 k( 425) = ( 0.0375000 0.0216947 0.9984765), wk = 0.0022624 k( 426) = ( 0.0500000 0.0289263 0.9984765), wk = 0.0022624 k( 427) = ( 0.0625000 0.0361579 0.9984765), wk = 0.0022624 k( 428) = ( 0.0750000 0.0433894 0.9984765), wk = 0.0022624 k( 429) = ( 0.0875000 0.0506210 0.9984765), wk = 0.0022624 k( 430) = ( 0.1000000 0.0578526 0.9984765), wk = 0.0022624 k( 431) = ( 0.1125000 0.0650841 0.9984765), wk = 0.0022624 k( 432) = ( 0.1250000 0.0723157 0.9984765), wk = 0.0022624 k( 433) = ( 0.1375000 0.0795473 0.9984765), wk = 0.0022624 k( 434) = ( 0.1500000 0.0867789 0.9984765), wk = 0.0022624 k( 435) = ( 0.1625000 0.0940104 0.9984765), wk = 0.0022624 k( 436) = ( 0.1750000 0.1012420 0.9984765), wk = 0.0022624 k( 437) = ( 0.1875000 0.1084736 0.9984765), wk = 0.0022624 k( 438) = ( 0.2000000 0.1157051 0.9984765), wk = 0.0022624 k( 439) = ( 0.2125000 0.1229367 0.9984765), wk = 0.0022624 k( 440) = ( 0.2250000 0.1301683 0.9984765), wk = 0.0022624 k( 441) = ( 0.2375000 0.1373999 0.9984765), wk = 0.0022624 k( 442) = ( 0.2500000 0.1446314 0.9984765), wk = 0.0022624 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 2) = ( 0.0000000 0.0000000 0.0072464), wk = 0.0022624 k( 3) = ( 0.0000000 0.0000000 0.0144928), wk = 0.0022624 k( 4) = ( 0.0000000 0.0000000 0.0217391), wk = 0.0022624 k( 5) = ( 0.0000000 0.0000000 0.0289855), wk = 0.0022624 k( 6) = ( 0.0000000 0.0000000 0.0362319), wk = 0.0022624 k( 7) = ( 0.0000000 0.0000000 0.0434783), wk = 0.0022624 k( 8) = ( 0.0000000 0.0000000 0.0507246), wk = 0.0022624 k( 9) = ( 0.0000000 0.0000000 0.0579710), wk = 0.0022624 k( 10) = ( 0.0000000 0.0000000 0.0652174), wk = 0.0022624 k( 11) = ( 0.0000000 0.0000000 0.0724638), wk = 0.0022624 k( 12) = ( 0.0000000 0.0000000 0.0797101), wk = 0.0022624 k( 13) = ( 0.0000000 0.0000000 0.0869565), wk = 0.0022624 k( 14) = ( 0.0000000 0.0000000 0.0942029), wk = 0.0022624 k( 15) = ( 0.0000000 0.0000000 0.1014493), wk = 0.0022624 k( 16) = ( 0.0000000 0.0000000 0.1086957), wk = 0.0022624 k( 17) = ( 0.0000000 0.0000000 0.1159420), wk = 0.0022624 k( 18) = ( 0.0000000 0.0000000 0.1231884), wk = 0.0022624 k( 19) = ( 0.0000000 0.0000000 0.1304348), wk = 0.0022624 k( 20) = ( 0.0000000 0.0000000 0.1376812), wk = 0.0022624 k( 21) = ( 0.0000000 0.0000000 0.1449275), wk = 0.0022624 k( 22) = ( 0.0000000 0.0000000 0.1521739), wk = 0.0022624 k( 23) = ( 0.0000000 0.0000000 0.1594203), wk = 0.0022624 k( 24) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022624 k( 25) = ( 0.0000000 0.0000000 0.1739130), wk = 0.0022624 k( 26) = ( 0.0000000 0.0000000 0.1811594), wk = 0.0022624 k( 27) = ( 0.0000000 0.0000000 0.1884058), wk = 0.0022624 k( 28) = ( 0.0000000 0.0000000 0.1956522), wk = 0.0022624 k( 29) = ( 0.0000000 0.0000000 0.2028986), wk = 0.0022624 k( 30) = ( 0.0000000 0.0000000 0.2101449), wk = 0.0022624 k( 31) = ( 0.0000000 0.0000000 0.2173913), wk = 0.0022624 k( 32) = ( 0.0000000 0.0000000 0.2246377), wk = 0.0022624 k( 33) = ( 0.0000000 0.0000000 0.2318841), wk = 0.0022624 k( 34) = ( 0.0000000 0.0000000 0.2391304), wk = 0.0022624 k( 35) = ( 0.0000000 0.0000000 0.2463768), wk = 0.0022624 k( 36) = ( 0.0000000 0.0000000 0.2536232), wk = 0.0022624 k( 37) = ( 0.0000000 0.0000000 0.2608696), wk = 0.0022624 k( 38) = ( 0.0000000 0.0000000 0.2681159), wk = 0.0022624 k( 39) = ( 0.0000000 0.0000000 0.2753623), wk = 0.0022624 k( 40) = ( 0.0000000 0.0000000 0.2826087), wk = 0.0022624 k( 41) = ( 0.0000000 0.0000000 0.2898551), wk = 0.0022624 k( 42) = ( 0.0000000 0.0000000 0.2971014), wk = 0.0022624 k( 43) = ( 0.0000000 0.0000000 0.3043478), wk = 0.0022624 k( 44) = ( 0.0000000 0.0000000 0.3115942), wk = 0.0022624 k( 45) = ( 0.0000000 0.0000000 0.3188406), wk = 0.0022624 k( 46) = ( 0.0000000 0.0000000 0.3260870), wk = 0.0022624 k( 47) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022624 k( 48) = ( 0.0000000 0.0000000 0.3405797), wk = 0.0022624 k( 49) = ( 0.0000000 0.0000000 0.3478261), wk = 0.0022624 k( 50) = ( 0.0000000 0.0000000 0.3550725), wk = 0.0022624 k( 51) = ( 0.0000000 0.0000000 0.3623188), wk = 0.0022624 k( 52) = ( 0.0000000 0.0000000 0.3695652), wk = 0.0022624 k( 53) = ( 0.0000000 0.0000000 0.3768116), wk = 0.0022624 k( 54) = ( 0.0000000 0.0000000 0.3840580), wk = 0.0022624 k( 55) = ( 0.0000000 0.0000000 0.3913044), wk = 0.0022624 k( 56) = ( 0.0000000 0.0000000 0.3985507), wk = 0.0022624 k( 57) = ( 0.0000000 0.0000000 0.4057971), wk = 0.0022624 k( 58) = ( 0.0000000 0.0000000 0.4130435), wk = 0.0022624 k( 59) = ( 0.0000000 0.0000000 0.4202899), wk = 0.0022624 k( 60) = ( 0.0000000 0.0000000 0.4275362), wk = 0.0022624 k( 61) = ( 0.0000000 0.0000000 0.4347826), wk = 0.0022624 k( 62) = ( 0.0000000 0.0000000 0.4420290), wk = 0.0022624 k( 63) = ( 0.0000000 0.0000000 0.4492754), wk = 0.0022624 k( 64) = ( 0.0000000 0.0000000 0.4565217), wk = 0.0022624 k( 65) = ( 0.0000000 0.0000000 0.4637681), wk = 0.0022624 k( 66) = ( 0.0000000 0.0000000 0.4710145), wk = 0.0022624 k( 67) = ( 0.0000000 0.0000000 0.4782609), wk = 0.0022624 k( 68) = ( 0.0000000 0.0000000 0.4855073), wk = 0.0022624 k( 69) = ( 0.0000000 0.0000000 0.4927536), wk = 0.0022624 k( 70) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022624 k( 71) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022624 k( 72) = ( -0.0069727 0.0069727 0.5000000), wk = 0.0022624 k( 73) = ( -0.0139455 0.0139455 0.5000000), wk = 0.0022624 k( 74) = ( -0.0209182 0.0209182 0.5000000), wk = 0.0022624 k( 75) = ( -0.0278910 0.0278910 0.5000000), wk = 0.0022624 k( 76) = ( -0.0348637 0.0348637 0.5000000), wk = 0.0022624 k( 77) = ( -0.0418365 0.0418365 0.5000000), wk = 0.0022624 k( 78) = ( -0.0488093 0.0488093 0.5000000), wk = 0.0022624 k( 79) = ( -0.0557820 0.0557820 0.5000000), wk = 0.0022624 k( 80) = ( -0.0627548 0.0627548 0.5000000), wk = 0.0022624 k( 81) = ( -0.0697275 0.0697275 0.5000000), wk = 0.0022624 k( 82) = ( -0.0767003 0.0767003 0.5000000), wk = 0.0022624 k( 83) = ( -0.0836730 0.0836730 0.5000000), wk = 0.0022624 k( 84) = ( -0.0836730 0.0836730 0.5000000), wk = 0.0022624 k( 85) = ( -0.0887502 0.0887502 0.4949228), wk = 0.0022624 k( 86) = ( -0.0938273 0.0938273 0.4898457), wk = 0.0022624 k( 87) = ( -0.0989045 0.0989045 0.4847685), wk = 0.0022624 k( 88) = ( -0.1039816 0.1039816 0.4796914), wk = 0.0022624 k( 89) = ( -0.1090588 0.1090588 0.4746142), wk = 0.0022624 k( 90) = ( -0.1141360 0.1141360 0.4695371), wk = 0.0022624 k( 91) = ( -0.1192131 0.1192131 0.4644599), wk = 0.0022624 k( 92) = ( -0.1242903 0.1242903 0.4593827), wk = 0.0022624 k( 93) = ( -0.1293674 0.1293674 0.4543056), wk = 0.0022624 k( 94) = ( -0.1344446 0.1344446 0.4492284), wk = 0.0022624 k( 95) = ( -0.1395217 0.1395217 0.4441513), wk = 0.0022624 k( 96) = ( -0.1445989 0.1445989 0.4390741), wk = 0.0022624 k( 97) = ( -0.1496761 0.1496761 0.4339969), wk = 0.0022624 k( 98) = ( -0.1547532 0.1547532 0.4289198), wk = 0.0022624 k( 99) = ( -0.1598304 0.1598304 0.4238426), wk = 0.0022624 k( 100) = ( -0.1649075 0.1649075 0.4187655), wk = 0.0022624 k( 101) = ( -0.1699847 0.1699847 0.4136883), wk = 0.0022624 k( 102) = ( -0.1750619 0.1750619 0.4086111), wk = 0.0022624 k( 103) = ( -0.1801390 0.1801390 0.4035340), wk = 0.0022624 k( 104) = ( -0.1852162 0.1852162 0.3984568), wk = 0.0022624 k( 105) = ( -0.1902933 0.1902933 0.3933797), wk = 0.0022624 k( 106) = ( -0.1953705 0.1953705 0.3883025), wk = 0.0022624 k( 107) = ( -0.2004477 0.2004476 0.3832254), wk = 0.0022624 k( 108) = ( -0.2055248 0.2055248 0.3781482), wk = 0.0022624 k( 109) = ( -0.2106020 0.2106020 0.3730710), wk = 0.0022624 k( 110) = ( -0.2156791 0.2156791 0.3679939), wk = 0.0022624 k( 111) = ( -0.2207563 0.2207563 0.3629167), wk = 0.0022624 k( 112) = ( -0.2258334 0.2258334 0.3578396), wk = 0.0022624 k( 113) = ( -0.2309106 0.2309106 0.3527624), wk = 0.0022624 k( 114) = ( -0.2359878 0.2359878 0.3476853), wk = 0.0022624 k( 115) = ( -0.2410649 0.2410649 0.3426081), wk = 0.0022624 k( 116) = ( -0.2461421 0.2461421 0.3375309), wk = 0.0022624 k( 117) = ( -0.2512192 0.2512192 0.3324538), wk = 0.0022624 k( 118) = ( -0.2562964 0.2562964 0.3273766), wk = 0.0022624 k( 119) = ( -0.2613736 0.2613735 0.3222995), wk = 0.0022624 k( 120) = ( -0.2664507 0.2664507 0.3172223), wk = 0.0022624 k( 121) = ( -0.2715279 0.2715279 0.3121451), wk = 0.0022624 k( 122) = ( -0.2766050 0.2766050 0.3070680), wk = 0.0022624 k( 123) = ( -0.2816822 0.2816822 0.3019908), wk = 0.0022624 k( 124) = ( -0.2867594 0.2867594 0.2969137), wk = 0.0022624 k( 125) = ( -0.2918365 0.2918365 0.2918365), wk = 0.0022624 k( 126) = ( -0.2918365 0.2918365 0.2918365), wk = 0.0022624 k( 127) = ( -0.2867166 0.2867166 0.2867166), wk = 0.0022624 k( 128) = ( -0.2815966 0.2815966 0.2815966), wk = 0.0022624 k( 129) = ( -0.2764767 0.2764767 0.2764767), wk = 0.0022624 k( 130) = ( -0.2713567 0.2713567 0.2713567), wk = 0.0022624 k( 131) = ( -0.2662368 0.2662368 0.2662368), wk = 0.0022624 k( 132) = ( -0.2611169 0.2611169 0.2611169), wk = 0.0022624 k( 133) = ( -0.2559969 0.2559969 0.2559969), wk = 0.0022624 k( 134) = ( -0.2508770 0.2508770 0.2508770), wk = 0.0022624 k( 135) = ( -0.2457571 0.2457571 0.2457571), wk = 0.0022624 k( 136) = ( -0.2406371 0.2406371 0.2406371), wk = 0.0022624 k( 137) = ( -0.2355172 0.2355172 0.2355172), wk = 0.0022624 k( 138) = ( -0.2303972 0.2303972 0.2303972), wk = 0.0022624 k( 139) = ( -0.2252773 0.2252773 0.2252773), wk = 0.0022624 k( 140) = ( -0.2201574 0.2201574 0.2201574), wk = 0.0022624 k( 141) = ( -0.2150374 0.2150374 0.2150374), wk = 0.0022624 k( 142) = ( -0.2099175 0.2099175 0.2099175), wk = 0.0022624 k( 143) = ( -0.2047975 0.2047975 0.2047976), wk = 0.0022624 k( 144) = ( -0.1996776 0.1996776 0.1996776), wk = 0.0022624 k( 145) = ( -0.1945577 0.1945577 0.1945577), wk = 0.0022624 k( 146) = ( -0.1894377 0.1894377 0.1894377), wk = 0.0022624 k( 147) = ( -0.1843178 0.1843178 0.1843178), wk = 0.0022624 k( 148) = ( -0.1791978 0.1791979 0.1791979), wk = 0.0022624 k( 149) = ( -0.1740779 0.1740779 0.1740779), wk = 0.0022624 k( 150) = ( -0.1689580 0.1689580 0.1689580), wk = 0.0022624 k( 151) = ( -0.1638380 0.1638380 0.1638380), wk = 0.0022624 k( 152) = ( -0.1587181 0.1587181 0.1587181), wk = 0.0022624 k( 153) = ( -0.1535982 0.1535982 0.1535982), wk = 0.0022624 k( 154) = ( -0.1484782 0.1484782 0.1484782), wk = 0.0022624 k( 155) = ( -0.1433583 0.1433583 0.1433583), wk = 0.0022624 k( 156) = ( -0.1382383 0.1382383 0.1382383), wk = 0.0022624 k( 157) = ( -0.1331184 0.1331184 0.1331184), wk = 0.0022624 k( 158) = ( -0.1279985 0.1279985 0.1279985), wk = 0.0022624 k( 159) = ( -0.1228785 0.1228785 0.1228785), wk = 0.0022624 k( 160) = ( -0.1177586 0.1177586 0.1177586), wk = 0.0022624 k( 161) = ( -0.1126387 0.1126387 0.1126387), wk = 0.0022624 k( 162) = ( -0.1075187 0.1075187 0.1075187), wk = 0.0022624 k( 163) = ( -0.1023988 0.1023988 0.1023988), wk = 0.0022624 k( 164) = ( -0.0972788 0.0972788 0.0972788), wk = 0.0022624 k( 165) = ( -0.0921589 0.0921589 0.0921589), wk = 0.0022624 k( 166) = ( -0.0870390 0.0870390 0.0870390), wk = 0.0022624 k( 167) = ( -0.0819190 0.0819190 0.0819190), wk = 0.0022624 k( 168) = ( -0.0767991 0.0767991 0.0767991), wk = 0.0022624 k( 169) = ( -0.0716791 0.0716791 0.0716791), wk = 0.0022624 k( 170) = ( -0.0665592 0.0665592 0.0665592), wk = 0.0022624 k( 171) = ( -0.0614393 0.0614393 0.0614393), wk = 0.0022624 k( 172) = ( -0.0563193 0.0563193 0.0563193), wk = 0.0022624 k( 173) = ( -0.0511994 0.0511994 0.0511994), wk = 0.0022624 k( 174) = ( -0.0460795 0.0460794 0.0460795), wk = 0.0022624 k( 175) = ( -0.0409595 0.0409595 0.0409595), wk = 0.0022624 k( 176) = ( -0.0358396 0.0358396 0.0358396), wk = 0.0022624 k( 177) = ( -0.0307196 0.0307196 0.0307196), wk = 0.0022624 k( 178) = ( -0.0255997 0.0255997 0.0255997), wk = 0.0022624 k( 179) = ( -0.0204798 0.0204797 0.0204798), wk = 0.0022624 k( 180) = ( -0.0153598 0.0153598 0.0153598), wk = 0.0022624 k( 181) = ( -0.0102399 0.0102399 0.0102399), wk = 0.0022624 k( 182) = ( -0.0051199 0.0051199 0.0051199), wk = 0.0022624 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022624 k( 185) = ( 0.0125000 0.0125000 -0.0125000), wk = 0.0022624 k( 186) = ( 0.0250000 0.0250000 -0.0250000), wk = 0.0022624 k( 187) = ( 0.0375000 0.0375000 -0.0375000), wk = 0.0022624 k( 188) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0022624 k( 189) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0022624 k( 190) = ( 0.0750000 0.0750000 -0.0750000), wk = 0.0022624 k( 191) = ( 0.0875000 0.0875000 -0.0875000), wk = 0.0022624 k( 192) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0022624 k( 193) = ( 0.1125000 0.1125000 -0.1125000), wk = 0.0022624 k( 194) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0022624 k( 195) = ( 0.1375000 0.1375000 -0.1375000), wk = 0.0022624 k( 196) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0022624 k( 197) = ( 0.1625000 0.1625000 -0.1625000), wk = 0.0022624 k( 198) = ( 0.1750000 0.1750000 -0.1750000), wk = 0.0022624 k( 199) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0022624 k( 200) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0022624 k( 201) = ( 0.2125000 0.2125000 -0.2125000), wk = 0.0022624 k( 202) = ( 0.2250000 0.2250000 -0.2250000), wk = 0.0022624 k( 203) = ( 0.2375000 0.2375000 -0.2375000), wk = 0.0022624 k( 204) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0022624 k( 205) = ( 0.2625000 0.2625000 -0.2625000), wk = 0.0022624 k( 206) = ( 0.2750000 0.2750000 -0.2750000), wk = 0.0022624 k( 207) = ( 0.2875000 0.2875000 -0.2875000), wk = 0.0022624 k( 208) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0022624 k( 209) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0022624 k( 210) = ( 0.3250000 0.3250000 -0.3250000), wk = 0.0022624 k( 211) = ( 0.3375000 0.3375000 -0.3375000), wk = 0.0022624 k( 212) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0022624 k( 213) = ( 0.3625000 0.3625000 -0.3625000), wk = 0.0022624 k( 214) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0022624 k( 215) = ( 0.3875000 0.3875000 -0.3875000), wk = 0.0022624 k( 216) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0022624 k( 217) = ( 0.4125000 0.4125000 -0.4125000), wk = 0.0022624 k( 218) = ( 0.4250000 0.4250000 -0.4250000), wk = 0.0022624 k( 219) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0022624 k( 220) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0022624 k( 221) = ( 0.4625000 0.4625000 -0.4625000), wk = 0.0022624 k( 222) = ( 0.4750000 0.4750000 -0.4750000), wk = 0.0022624 k( 223) = ( 0.4875000 0.4875000 -0.4875000), wk = 0.0022624 k( 224) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022624 k( 225) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022624 k( 226) = ( 0.4949228 0.5050772 -0.4949228), wk = 0.0022624 k( 227) = ( 0.4898457 0.5101543 -0.4898457), wk = 0.0022624 k( 228) = ( 0.4847685 0.5152315 -0.4847685), wk = 0.0022624 k( 229) = ( 0.4796914 0.5203086 -0.4796914), wk = 0.0022624 k( 230) = ( 0.4746142 0.5253858 -0.4746142), wk = 0.0022624 k( 231) = ( 0.4695371 0.5304629 -0.4695371), wk = 0.0022624 k( 232) = ( 0.4644599 0.5355401 -0.4644599), wk = 0.0022624 k( 233) = ( 0.4593827 0.5406173 -0.4593827), wk = 0.0022624 k( 234) = ( 0.4543056 0.5456944 -0.4543056), wk = 0.0022624 k( 235) = ( 0.4492284 0.5507716 -0.4492284), wk = 0.0022624 k( 236) = ( 0.4441513 0.5558487 -0.4441513), wk = 0.0022624 k( 237) = ( 0.4390741 0.5609259 -0.4390741), wk = 0.0022624 k( 238) = ( 0.4339969 0.5660031 -0.4339969), wk = 0.0022624 k( 239) = ( 0.4289198 0.5710802 -0.4289198), wk = 0.0022624 k( 240) = ( 0.4238426 0.5761574 -0.4238426), wk = 0.0022624 k( 241) = ( 0.4187655 0.5812345 -0.4187655), wk = 0.0022624 k( 242) = ( 0.4136883 0.5863117 -0.4136883), wk = 0.0022624 k( 243) = ( 0.4086111 0.5913888 -0.4086111), wk = 0.0022624 k( 244) = ( 0.4035340 0.5964660 -0.4035340), wk = 0.0022624 k( 245) = ( 0.3984568 0.6015432 -0.3984568), wk = 0.0022624 k( 246) = ( 0.3933797 0.6066203 -0.3933797), wk = 0.0022624 k( 247) = ( 0.3883025 0.6116975 -0.3883025), wk = 0.0022624 k( 248) = ( 0.3832254 0.6167746 -0.3832254), wk = 0.0022624 k( 249) = ( 0.3781482 0.6218518 -0.3781482), wk = 0.0022624 k( 250) = ( 0.3730710 0.6269290 -0.3730710), wk = 0.0022624 k( 251) = ( 0.3679939 0.6320061 -0.3679939), wk = 0.0022624 k( 252) = ( 0.3629167 0.6370833 -0.3629167), wk = 0.0022624 k( 253) = ( 0.3578396 0.6421604 -0.3578396), wk = 0.0022624 k( 254) = ( 0.3527624 0.6472376 -0.3527624), wk = 0.0022624 k( 255) = ( 0.3476853 0.6523148 -0.3476853), wk = 0.0022624 k( 256) = ( 0.3426081 0.6573919 -0.3426081), wk = 0.0022624 k( 257) = ( 0.3375309 0.6624691 -0.3375309), wk = 0.0022624 k( 258) = ( 0.3324538 0.6675462 -0.3324538), wk = 0.0022624 k( 259) = ( 0.3273766 0.6726234 -0.3273766), wk = 0.0022624 k( 260) = ( 0.3222995 0.6777005 -0.3222995), wk = 0.0022624 k( 261) = ( 0.3172223 0.6827777 -0.3172223), wk = 0.0022624 k( 262) = ( 0.3121451 0.6878549 -0.3121451), wk = 0.0022624 k( 263) = ( 0.3070680 0.6929320 -0.3070680), wk = 0.0022624 k( 264) = ( 0.3019908 0.6980092 -0.3019908), wk = 0.0022624 k( 265) = ( 0.2969137 0.7030863 -0.2969137), wk = 0.0022624 k( 266) = ( 0.2918365 0.7081635 -0.2918365), wk = 0.0022624 k( 267) = ( 0.2918365 0.7081635 -0.2918365), wk = 0.0022624 k( 268) = ( 0.2785712 0.6987015 -0.2785712), wk = 0.0022624 k( 269) = ( 0.2653059 0.6892395 -0.2653059), wk = 0.0022624 k( 270) = ( 0.2520406 0.6797776 -0.2520406), wk = 0.0022624 k( 271) = ( 0.2387753 0.6703156 -0.2387753), wk = 0.0022624 k( 272) = ( 0.2255100 0.6608536 -0.2255100), wk = 0.0022624 k( 273) = ( 0.2122447 0.6513916 -0.2122447), wk = 0.0022624 k( 274) = ( 0.1989794 0.6419297 -0.1989794), wk = 0.0022624 k( 275) = ( 0.1857141 0.6324677 -0.1857141), wk = 0.0022624 k( 276) = ( 0.1724488 0.6230057 -0.1724488), wk = 0.0022624 k( 277) = ( 0.1591836 0.6135437 -0.1591836), wk = 0.0022624 k( 278) = ( 0.1459182 0.6040817 -0.1459183), wk = 0.0022624 k( 279) = ( 0.1326530 0.5946198 -0.1326530), wk = 0.0022624 k( 280) = ( 0.1193877 0.5851578 -0.1193877), wk = 0.0022624 k( 281) = ( 0.1061224 0.5756958 -0.1061224), wk = 0.0022624 k( 282) = ( 0.0928571 0.5662338 -0.0928571), wk = 0.0022624 k( 283) = ( 0.0795918 0.5567719 -0.0795918), wk = 0.0022624 k( 284) = ( 0.0663265 0.5473099 -0.0663265), wk = 0.0022624 k( 285) = ( 0.0530612 0.5378479 -0.0530612), wk = 0.0022624 k( 286) = ( 0.0397959 0.5283859 -0.0397959), wk = 0.0022624 k( 287) = ( 0.0265306 0.5189239 -0.0265306), wk = 0.0022624 k( 288) = ( 0.0132653 0.5094620 -0.0132653), wk = 0.0022624 k( 289) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022624 k( 290) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022624 k( 291) = ( 0.0051020 0.4948980 0.0051020), wk = 0.0022624 k( 292) = ( 0.0102041 0.4897959 0.0102041), wk = 0.0022624 k( 293) = ( 0.0153061 0.4846939 0.0153061), wk = 0.0022624 k( 294) = ( 0.0204082 0.4795918 0.0204082), wk = 0.0022624 k( 295) = ( 0.0255102 0.4744898 0.0255102), wk = 0.0022624 k( 296) = ( 0.0306122 0.4693878 0.0306122), wk = 0.0022624 k( 297) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0022624 k( 298) = ( 0.0408163 0.4591837 0.0408163), wk = 0.0022624 k( 299) = ( 0.0459184 0.4540816 0.0459184), wk = 0.0022624 k( 300) = ( 0.0510204 0.4489796 0.0510204), wk = 0.0022624 k( 301) = ( 0.0561224 0.4438775 0.0561224), wk = 0.0022624 k( 302) = ( 0.0612245 0.4387755 0.0612245), wk = 0.0022624 k( 303) = ( 0.0663265 0.4336735 0.0663265), wk = 0.0022624 k( 304) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0022624 k( 305) = ( 0.0765306 0.4234694 0.0765306), wk = 0.0022624 k( 306) = ( 0.0816327 0.4183674 0.0816326), wk = 0.0022624 k( 307) = ( 0.0867347 0.4132653 0.0867347), wk = 0.0022624 k( 308) = ( 0.0918367 0.4081633 0.0918367), wk = 0.0022624 k( 309) = ( 0.0969388 0.4030612 0.0969388), wk = 0.0022624 k( 310) = ( 0.1020408 0.3979592 0.1020408), wk = 0.0022624 k( 311) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0022624 k( 312) = ( 0.1122449 0.3877551 0.1122449), wk = 0.0022624 k( 313) = ( 0.1173469 0.3826531 0.1173469), wk = 0.0022624 k( 314) = ( 0.1224490 0.3775510 0.1224490), wk = 0.0022624 k( 315) = ( 0.1275510 0.3724490 0.1275510), wk = 0.0022624 k( 316) = ( 0.1326531 0.3673469 0.1326531), wk = 0.0022624 k( 317) = ( 0.1377551 0.3622449 0.1377551), wk = 0.0022624 k( 318) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0022624 k( 319) = ( 0.1479592 0.3520408 0.1479592), wk = 0.0022624 k( 320) = ( 0.1530612 0.3469388 0.1530612), wk = 0.0022624 k( 321) = ( 0.1581633 0.3418367 0.1581633), wk = 0.0022624 k( 322) = ( 0.1632653 0.3367347 0.1632653), wk = 0.0022624 k( 323) = ( 0.1683673 0.3316326 0.1683673), wk = 0.0022624 k( 324) = ( 0.1734694 0.3265306 0.1734694), wk = 0.0022624 k( 325) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0022624 k( 326) = ( 0.1836735 0.3163265 0.1836735), wk = 0.0022624 k( 327) = ( 0.1887755 0.3112245 0.1887755), wk = 0.0022624 k( 328) = ( 0.1938776 0.3061224 0.1938776), wk = 0.0022624 k( 329) = ( 0.1989796 0.3010204 0.1989796), wk = 0.0022624 k( 330) = ( 0.2040816 0.2959184 0.2040816), wk = 0.0022624 k( 331) = ( 0.2091837 0.2908163 0.2091837), wk = 0.0022624 k( 332) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0022624 k( 333) = ( 0.2193878 0.2806122 0.2193878), wk = 0.0022624 k( 334) = ( 0.2244898 0.2755102 0.2244898), wk = 0.0022624 k( 335) = ( 0.2295918 0.2704082 0.2295918), wk = 0.0022624 k( 336) = ( 0.2346939 0.2653061 0.2346939), wk = 0.0022624 k( 337) = ( 0.2397959 0.2602041 0.2397959), wk = 0.0022624 k( 338) = ( 0.2448980 0.2551020 0.2448980), wk = 0.0022624 k( 339) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022624 k( 340) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022624 k( 341) = ( 0.2608696 0.2608696 0.2354925), wk = 0.0022624 k( 342) = ( 0.2717391 0.2717391 0.2209850), wk = 0.0022624 k( 343) = ( 0.2826087 0.2826087 0.2064774), wk = 0.0022624 k( 344) = ( 0.2934783 0.2934783 0.1919699), wk = 0.0022624 k( 345) = ( 0.3043478 0.3043478 0.1774624), wk = 0.0022624 k( 346) = ( 0.3152174 0.3152174 0.1629549), wk = 0.0022624 k( 347) = ( 0.3260870 0.3260870 0.1484474), wk = 0.0022624 k( 348) = ( 0.3369565 0.3369565 0.1339398), wk = 0.0022624 k( 349) = ( 0.3478261 0.3478261 0.1194323), wk = 0.0022624 k( 350) = ( 0.3586956 0.3586956 0.1049248), wk = 0.0022624 k( 351) = ( 0.3695652 0.3695652 0.0904173), wk = 0.0022624 k( 352) = ( 0.3804348 0.3804348 0.0759097), wk = 0.0022624 k( 353) = ( 0.3913044 0.3913043 0.0614022), wk = 0.0022624 k( 354) = ( 0.4021739 0.4021739 0.0468947), wk = 0.0022624 k( 355) = ( 0.4130435 0.4130435 0.0323872), wk = 0.0022624 k( 356) = ( 0.4239130 0.4239130 0.0178796), wk = 0.0022624 k( 357) = ( 0.4347826 0.4347826 0.0033721), wk = 0.0022624 k( 358) = ( 0.4456522 0.4456522 -0.0111354), wk = 0.0022624 k( 359) = ( 0.4565217 0.4565217 -0.0256429), wk = 0.0022624 k( 360) = ( 0.4673913 0.4673913 -0.0401504), wk = 0.0022624 k( 361) = ( 0.4782609 0.4782609 -0.0546580), wk = 0.0022624 k( 362) = ( 0.4891304 0.4891304 -0.0691655), wk = 0.0022624 k( 363) = ( 0.5000000 0.5000000 -0.0836730), wk = 0.0022624 k( 364) = ( 0.5000000 0.5000000 -0.0836730), wk = 0.0022624 k( 365) = ( 0.5000000 0.5000000 -0.0909770), wk = 0.0022624 k( 366) = ( 0.5000000 0.5000000 -0.0982810), wk = 0.0022624 k( 367) = ( 0.5000000 0.5000000 -0.1055850), wk = 0.0022624 k( 368) = ( 0.5000000 0.5000000 -0.1128889), wk = 0.0022624 k( 369) = ( 0.5000000 0.5000000 -0.1201929), wk = 0.0022624 k( 370) = ( 0.5000000 0.5000000 -0.1274969), wk = 0.0022624 k( 371) = ( 0.5000000 0.5000000 -0.1348009), wk = 0.0022624 k( 372) = ( 0.5000000 0.5000000 -0.1421049), wk = 0.0022624 k( 373) = ( 0.5000000 0.5000000 -0.1494089), wk = 0.0022624 k( 374) = ( 0.5000000 0.5000000 -0.1567128), wk = 0.0022624 k( 375) = ( 0.5000000 0.5000000 -0.1640168), wk = 0.0022624 k( 376) = ( 0.5000000 0.5000000 -0.1713208), wk = 0.0022624 k( 377) = ( 0.5000000 0.5000000 -0.1786248), wk = 0.0022624 k( 378) = ( 0.5000000 0.5000000 -0.1859288), wk = 0.0022624 k( 379) = ( 0.5000000 0.5000000 -0.1932327), wk = 0.0022624 k( 380) = ( 0.5000000 0.5000000 -0.2005367), wk = 0.0022624 k( 381) = ( 0.5000000 0.5000000 -0.2078407), wk = 0.0022624 k( 382) = ( 0.5000000 0.5000000 -0.2151447), wk = 0.0022624 k( 383) = ( 0.5000000 0.5000000 -0.2224487), wk = 0.0022624 k( 384) = ( 0.5000000 0.5000000 -0.2297527), wk = 0.0022624 k( 385) = ( 0.5000000 0.5000000 -0.2370566), wk = 0.0022624 k( 386) = ( 0.5000000 0.5000000 -0.2443606), wk = 0.0022624 k( 387) = ( 0.5000000 0.5000000 -0.2516646), wk = 0.0022624 k( 388) = ( 0.5000000 0.5000000 -0.2589686), wk = 0.0022624 k( 389) = ( 0.5000000 0.5000000 -0.2662726), wk = 0.0022624 k( 390) = ( 0.5000000 0.5000000 -0.2735766), wk = 0.0022624 k( 391) = ( 0.5000000 0.5000000 -0.2808805), wk = 0.0022624 k( 392) = ( 0.5000000 0.5000000 -0.2881845), wk = 0.0022624 k( 393) = ( 0.5000000 0.5000000 -0.2954885), wk = 0.0022624 k( 394) = ( 0.5000000 0.5000000 -0.3027925), wk = 0.0022624 k( 395) = ( 0.5000000 0.5000000 -0.3100965), wk = 0.0022624 k( 396) = ( 0.5000000 0.5000000 -0.3174004), wk = 0.0022624 k( 397) = ( 0.5000000 0.5000000 -0.3247044), wk = 0.0022624 k( 398) = ( 0.5000000 0.5000000 -0.3320084), wk = 0.0022624 k( 399) = ( 0.5000000 0.5000000 -0.3393124), wk = 0.0022624 k( 400) = ( 0.5000000 0.5000000 -0.3466164), wk = 0.0022624 k( 401) = ( 0.5000000 0.5000000 -0.3539204), wk = 0.0022624 k( 402) = ( 0.5000000 0.5000000 -0.3612243), wk = 0.0022624 k( 403) = ( 0.5000000 0.5000000 -0.3685283), wk = 0.0022624 k( 404) = ( 0.5000000 0.5000000 -0.3758323), wk = 0.0022624 k( 405) = ( 0.5000000 0.5000000 -0.3831363), wk = 0.0022624 k( 406) = ( 0.5000000 0.5000000 -0.3904403), wk = 0.0022624 k( 407) = ( 0.5000000 0.5000000 -0.3977443), wk = 0.0022624 k( 408) = ( 0.5000000 0.5000000 -0.4050482), wk = 0.0022624 k( 409) = ( 0.5000000 0.5000000 -0.4123522), wk = 0.0022624 k( 410) = ( 0.5000000 0.5000000 -0.4196562), wk = 0.0022624 k( 411) = ( 0.5000000 0.5000000 -0.4269602), wk = 0.0022624 k( 412) = ( 0.5000000 0.5000000 -0.4342642), wk = 0.0022624 k( 413) = ( 0.5000000 0.5000000 -0.4415681), wk = 0.0022624 k( 414) = ( 0.5000000 0.5000000 -0.4488721), wk = 0.0022624 k( 415) = ( 0.5000000 0.5000000 -0.4561761), wk = 0.0022624 k( 416) = ( 0.5000000 0.5000000 -0.4634801), wk = 0.0022624 k( 417) = ( 0.5000000 0.5000000 -0.4707841), wk = 0.0022624 k( 418) = ( 0.5000000 0.5000000 -0.4780881), wk = 0.0022624 k( 419) = ( 0.5000000 0.5000000 -0.4853920), wk = 0.0022624 k( 420) = ( 0.5000000 0.5000000 -0.4926960), wk = 0.0022624 k( 421) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022624 k( 422) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022624 k( 423) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0022624 k( 424) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0022624 k( 425) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0022624 k( 426) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0022624 k( 427) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0022624 k( 428) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0022624 k( 429) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0022624 k( 430) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0022624 k( 431) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0022624 k( 432) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022624 k( 433) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0022624 k( 434) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0022624 k( 435) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0022624 k( 436) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0022624 k( 437) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0022624 k( 438) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0022624 k( 439) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0022624 k( 440) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0022624 k( 441) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0022624 k( 442) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022624 Dense grid: 13613 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 110, 34) NL pseudopotentials 0.07 Mb ( 55, 84) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 379) G-vector shells 0.00 Mb ( 185) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.23 Mb ( 110, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.09 Mb ( 84, 2, 34) The potential is recalculated from file : ./ZrAg2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.0 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.3 secs Computing kpt #: 9 total cpu time spent up to now is 3.5 secs Computing kpt #: 10 total cpu time spent up to now is 3.7 secs Computing kpt #: 11 total cpu time spent up to now is 3.9 secs Computing kpt #: 12 total cpu time spent up to now is 4.1 secs Computing kpt #: 13 total cpu time spent up to now is 4.2 secs Computing kpt #: 14 total cpu time spent up to now is 4.4 secs Computing kpt #: 15 total cpu time spent up to now is 4.6 secs Computing kpt #: 16 total cpu time spent up to now is 4.8 secs Computing kpt #: 17 total cpu time spent up to now is 5.0 secs Computing kpt #: 18 total cpu time spent up to now is 5.2 secs Computing kpt #: 19 total cpu time spent up to now is 5.4 secs Computing kpt #: 20 total cpu time spent up to now is 5.5 secs Computing kpt #: 21 total cpu time spent up to now is 5.7 secs Computing kpt #: 22 total cpu time spent up to now is 5.9 secs Computing kpt #: 23 total cpu time spent up to now is 6.1 secs Computing kpt #: 24 total cpu time spent up to now is 6.4 secs Computing kpt #: 25 total cpu time spent up to now is 6.7 secs Computing kpt #: 26 total cpu time spent up to now is 7.0 secs Computing kpt #: 27 total cpu time spent up to now is 7.3 secs Computing kpt #: 28 total cpu time spent up to now is 7.5 secs Computing kpt #: 29 total cpu time spent up to now is 7.8 secs Computing kpt #: 30 total cpu time spent up to now is 8.0 secs Computing kpt #: 31 total cpu time spent up to now is 8.2 secs Computing kpt #: 32 total cpu time spent up to now is 8.4 secs Computing kpt #: 33 total cpu time spent up to now is 8.6 secs Computing kpt #: 34 total cpu time spent up to now is 8.8 secs Computing kpt #: 35 total cpu time spent up to now is 9.0 secs Computing kpt #: 36 total cpu time spent up to now is 9.2 secs Computing kpt #: 37 total cpu time spent up to now is 9.4 secs Computing kpt #: 38 total cpu time spent up to now is 9.6 secs Computing kpt #: 39 total cpu time spent up to now is 9.8 secs Computing kpt #: 40 total cpu time spent up to now is 10.0 secs Computing kpt #: 41 total cpu time spent up to now is 10.2 secs Computing kpt #: 42 total cpu time spent up to now is 10.4 secs Computing kpt #: 43 total cpu time spent up to now is 10.6 secs Computing kpt #: 44 total cpu time spent up to now is 10.8 secs Computing kpt #: 45 total cpu time spent up to now is 10.9 secs Computing kpt #: 46 total cpu time spent up to now is 11.1 secs Computing kpt #: 47 total cpu time spent up to now is 11.3 secs Computing kpt #: 48 total cpu time spent up to now is 11.5 secs Computing kpt #: 49 total cpu time spent up to now is 11.7 secs Computing kpt #: 50 total cpu time spent up to now is 11.9 secs Computing kpt #: 51 total cpu time spent up to now is 12.1 secs Computing kpt #: 52 total cpu time spent up to now is 12.3 secs Computing kpt #: 53 total cpu time spent up to now is 12.5 secs Computing kpt #: 54 total cpu time spent up to now is 12.7 secs Computing kpt #: 55 total cpu time spent up to now is 12.9 secs Computing kpt #: 56 total cpu time spent up to now is 13.1 secs Computing kpt #: 57 total cpu time spent up to now is 13.3 secs Computing kpt #: 58 total cpu time spent up to now is 13.5 secs Computing kpt #: 59 total cpu time spent up to now is 13.7 secs Computing kpt #: 60 total cpu time spent up to now is 13.9 secs Computing kpt #: 61 total cpu time spent up to now is 14.1 secs Computing kpt #: 62 total cpu time spent up to now is 14.3 secs Computing kpt #: 63 total cpu time spent up to now is 14.5 secs Computing kpt #: 64 total cpu time spent up to now is 14.8 secs Computing kpt #: 65 total cpu time spent up to now is 15.0 secs Computing kpt #: 66 total cpu time spent up to now is 15.2 secs Computing kpt #: 67 total cpu time spent up to now is 15.4 secs Computing kpt #: 68 total cpu time spent up to now is 15.7 secs Computing kpt #: 69 total cpu time spent up to now is 15.9 secs Computing kpt #: 70 total cpu time spent up to now is 16.1 secs Computing kpt #: 71 total cpu time spent up to now is 16.3 secs Computing kpt #: 72 total cpu time spent up to now is 16.5 secs Computing kpt #: 73 total cpu time spent up to now is 16.7 secs Computing kpt #: 74 total cpu time spent up to now is 16.9 secs Computing kpt #: 75 total cpu time spent up to now is 17.2 secs Computing kpt #: 76 total cpu time spent up to now is 17.4 secs Computing kpt #: 77 total cpu time spent up to now is 17.6 secs Computing kpt #: 78 total cpu time spent up to now is 17.8 secs Computing kpt #: 79 total cpu time spent up to now is 18.1 secs Computing kpt #: 80 total cpu time spent up to now is 18.3 secs Computing kpt #: 81 total cpu time spent up to now is 18.6 secs Computing kpt #: 82 total cpu time spent up to now is 18.8 secs Computing kpt #: 83 total cpu time spent up to now is 19.1 secs Computing kpt #: 84 total cpu time spent up to now is 19.4 secs Computing kpt #: 85 total cpu time spent up to now is 19.6 secs Computing kpt #: 86 total cpu time spent up to now is 19.9 secs Computing kpt #: 87 total cpu time spent up to now is 20.1 secs Computing kpt #: 88 total cpu time spent up to now is 20.3 secs Computing kpt #: 89 total cpu time spent up to now is 20.6 secs Computing kpt #: 90 total cpu time spent up to now is 20.8 secs Computing kpt #: 91 total cpu time spent up to now is 21.1 secs Computing kpt #: 92 total cpu time spent up to now is 21.3 secs Computing kpt #: 93 total cpu time spent up to now is 21.6 secs Computing kpt #: 94 total cpu time spent up to now is 21.8 secs Computing kpt #: 95 total cpu time spent up to now is 22.0 secs Computing kpt #: 96 total cpu time spent up to now is 22.3 secs Computing kpt #: 97 total cpu time spent up to now is 22.5 secs Computing kpt #: 98 total cpu time spent up to now is 22.7 secs Computing kpt #: 99 total cpu time spent up to now is 23.0 secs Computing kpt #: 100 total cpu time spent up to now is 23.2 secs Computing kpt #: 101 total cpu time spent up to now is 23.4 secs Computing kpt #: 102 total cpu time spent up to now is 23.6 secs Computing kpt #: 103 total cpu time spent up to now is 23.9 secs Computing kpt #: 104 total cpu time spent up to now is 24.1 secs Computing kpt #: 105 total cpu time spent up to now is 24.3 secs Computing kpt #: 106 total cpu time spent up to now is 24.5 secs Computing kpt #: 107 total cpu time spent up to now is 24.7 secs Computing kpt #: 108 total cpu time spent up to now is 24.9 secs Computing kpt #: 109 total cpu time spent up to now is 25.1 secs Computing kpt #: 110 total cpu time spent up to now is 25.3 secs Computing kpt #: 111 total cpu time spent up to now is 25.5 secs Computing kpt #: 112 total cpu time spent up to now is 25.7 secs Computing kpt #: 113 total cpu time spent up to now is 25.9 secs Computing kpt #: 114 total cpu time spent up to now is 26.1 secs Computing kpt #: 115 total cpu time spent up to now is 26.3 secs Computing kpt #: 116 total cpu time spent up to now is 26.5 secs Computing kpt #: 117 total cpu time spent up to now is 26.6 secs Computing kpt #: 118 total cpu time spent up to now is 26.8 secs Computing kpt #: 119 total cpu time spent up to now is 27.0 secs Computing kpt #: 120 total cpu time spent up to now is 27.2 secs Computing kpt #: 121 total cpu time spent up to now is 27.4 secs Computing kpt #: 122 total cpu time spent up to now is 27.6 secs Computing kpt #: 123 total cpu time spent up to now is 27.7 secs Computing kpt #: 124 total cpu time spent up to now is 27.9 secs Computing kpt #: 125 total cpu time spent up to now is 28.1 secs Computing kpt #: 126 total cpu time spent up to now is 28.3 secs Computing kpt #: 127 total cpu time spent up to now is 28.4 secs Computing kpt #: 128 total cpu time spent up to now is 28.6 secs Computing kpt #: 129 total cpu time spent up to now is 28.8 secs Computing kpt #: 130 total cpu time spent up to now is 29.0 secs Computing kpt #: 131 total cpu time spent up to now is 29.2 secs Computing kpt #: 132 total cpu time spent up to now is 29.3 secs Computing kpt #: 133 total cpu time spent up to now is 29.5 secs Computing kpt #: 134 total cpu time spent up to now is 29.7 secs Computing kpt #: 135 total cpu time spent up to now is 29.9 secs Computing kpt #: 136 total cpu time spent up to now is 30.1 secs Computing kpt #: 137 total cpu time spent up to now is 30.3 secs Computing kpt #: 138 total cpu time spent up to now is 30.4 secs Computing kpt #: 139 total cpu time spent up to now is 30.6 secs Computing kpt #: 140 total cpu time spent up to now is 30.8 secs Computing kpt #: 141 total cpu time spent up to now is 31.0 secs Computing kpt #: 142 total cpu time spent up to now is 31.2 secs Computing kpt #: 143 total cpu time spent up to now is 31.4 secs Computing kpt #: 144 total cpu time spent up to now is 31.6 secs Computing kpt #: 145 total cpu time spent up to now is 31.7 secs Computing kpt #: 146 total cpu time spent up to now is 31.9 secs Computing kpt #: 147 total cpu time spent up to now is 32.1 secs Computing kpt #: 148 total cpu time spent up to now is 32.3 secs Computing kpt #: 149 total cpu time spent up to now is 32.5 secs Computing kpt #: 150 total cpu time spent up to now is 32.7 secs Computing kpt #: 151 total cpu time spent up to now is 32.9 secs Computing kpt #: 152 total cpu time spent up to now is 33.1 secs Computing kpt #: 153 total cpu time spent up to now is 33.3 secs Computing kpt #: 154 total cpu time spent up to now is 33.4 secs Computing kpt #: 155 total cpu time spent up to now is 33.6 secs Computing kpt #: 156 total cpu time spent up to now is 33.8 secs Computing kpt #: 157 total cpu time spent up to now is 34.0 secs Computing kpt #: 158 total cpu time spent up to now is 34.2 secs Computing kpt #: 159 total cpu time spent up to now is 34.4 secs Computing kpt #: 160 total cpu time spent up to now is 34.6 secs Computing kpt #: 161 total cpu time spent up to now is 34.8 secs Computing kpt #: 162 total cpu time spent up to now is 35.0 secs Computing kpt #: 163 total cpu time spent up to now is 35.2 secs Computing kpt #: 164 total cpu time spent up to now is 35.3 secs Computing kpt #: 165 total cpu time spent up to now is 35.5 secs Computing kpt #: 166 total cpu time spent up to now is 35.7 secs Computing kpt #: 167 total cpu time spent up to now is 35.9 secs Computing kpt #: 168 total cpu time spent up to now is 36.1 secs Computing kpt #: 169 total cpu time spent up to now is 36.3 secs Computing kpt #: 170 total cpu time spent up to now is 36.4 secs Computing kpt #: 171 total cpu time spent up to now is 36.6 secs Computing kpt #: 172 total cpu time spent up to now is 36.8 secs Computing kpt #: 173 total cpu time spent up to now is 37.0 secs Computing kpt #: 174 total cpu time spent up to now is 37.2 secs Computing kpt #: 175 total cpu time spent up to now is 37.3 secs Computing kpt #: 176 total cpu time spent up to now is 37.5 secs Computing kpt #: 177 total cpu time spent up to now is 37.7 secs Computing kpt #: 178 total cpu time spent up to now is 37.9 secs Computing kpt #: 179 total cpu time spent up to now is 38.1 secs Computing kpt #: 180 total cpu time spent up to now is 38.2 secs Computing kpt #: 181 total cpu time spent up to now is 38.4 secs Computing kpt #: 182 total cpu time spent up to now is 38.6 secs Computing kpt #: 183 total cpu time spent up to now is 38.8 secs Computing kpt #: 184 total cpu time spent up to now is 38.9 secs Computing kpt #: 185 total cpu time spent up to now is 39.1 secs Computing kpt #: 186 total cpu time spent up to now is 39.3 secs Computing kpt #: 187 total cpu time spent up to now is 39.5 secs Computing kpt #: 188 total cpu time spent up to now is 39.6 secs Computing kpt #: 189 total cpu time spent up to now is 39.8 secs Computing kpt #: 190 total cpu time spent up to now is 40.0 secs Computing kpt #: 191 total cpu time spent up to now is 40.2 secs Computing kpt #: 192 total cpu time spent up to now is 40.3 secs Computing kpt #: 193 total cpu time spent up to now is 40.5 secs Computing kpt #: 194 total cpu time spent up to now is 40.7 secs Computing kpt #: 195 total cpu time spent up to now is 40.9 secs Computing kpt #: 196 total cpu time spent up to now is 41.1 secs Computing kpt #: 197 total cpu time spent up to now is 41.2 secs Computing kpt #: 198 total cpu time spent up to now is 41.4 secs Computing kpt #: 199 total cpu time spent up to now is 41.6 secs Computing kpt #: 200 total cpu time spent up to now is 41.8 secs Computing kpt #: 201 total cpu time spent up to now is 41.9 secs Computing kpt #: 202 total cpu time spent up to now is 42.1 secs Computing kpt #: 203 total cpu time spent up to now is 42.3 secs Computing kpt #: 204 total cpu time spent up to now is 42.5 secs Computing kpt #: 205 total cpu time spent up to now is 42.6 secs Computing kpt #: 206 total cpu time spent up to now is 42.8 secs Computing kpt #: 207 total cpu time spent up to now is 43.0 secs Computing kpt #: 208 total cpu time spent up to now is 43.2 secs Computing kpt #: 209 total cpu time spent up to now is 43.3 secs Computing kpt #: 210 total cpu time spent up to now is 43.5 secs Computing kpt #: 211 total cpu time spent up to now is 43.7 secs Computing kpt #: 212 total cpu time spent up to now is 43.9 secs Computing kpt #: 213 total cpu time spent up to now is 44.1 secs Computing kpt #: 214 total cpu time spent up to now is 44.2 secs Computing kpt #: 215 total cpu time spent up to now is 44.4 secs Computing kpt #: 216 total cpu time spent up to now is 44.6 secs Computing kpt #: 217 total cpu time spent up to now is 44.8 secs Computing kpt #: 218 total cpu time spent up to now is 45.0 secs Computing kpt #: 219 total cpu time spent up to now is 45.1 secs Computing kpt #: 220 total cpu time spent up to now is 45.3 secs Computing kpt #: 221 total cpu time spent up to now is 45.5 secs Computing kpt #: 222 total cpu time spent up to now is 45.6 secs Computing kpt #: 223 total cpu time spent up to now is 45.8 secs Computing kpt #: 224 total cpu time spent up to now is 46.1 secs Computing kpt #: 225 total cpu time spent up to now is 46.2 secs Computing kpt #: 226 total cpu time spent up to now is 46.4 secs Computing kpt #: 227 total cpu time spent up to now is 46.6 secs Computing kpt #: 228 total cpu time spent up to now is 46.8 secs Computing kpt #: 229 total cpu time spent up to now is 47.0 secs Computing kpt #: 230 total cpu time spent up to now is 47.2 secs Computing kpt #: 231 total cpu time spent up to now is 47.3 secs Computing kpt #: 232 total cpu time spent up to now is 47.5 secs Computing kpt #: 233 total cpu time spent up to now is 47.7 secs Computing kpt #: 234 total cpu time spent up to now is 47.9 secs Computing kpt #: 235 total cpu time spent up to now is 48.1 secs Computing kpt #: 236 total cpu time spent up to now is 48.3 secs Computing kpt #: 237 total cpu time spent up to now is 48.5 secs Computing kpt #: 238 total cpu time spent up to now is 48.7 secs Computing kpt #: 239 total cpu time spent up to now is 48.9 secs Computing kpt #: 240 total cpu time spent up to now is 49.1 secs Computing kpt #: 241 total cpu time spent up to now is 49.3 secs Computing kpt #: 242 total cpu time spent up to now is 49.5 secs Computing kpt #: 243 total cpu time spent up to now is 49.7 secs Computing kpt #: 244 total cpu time spent up to now is 49.9 secs Computing kpt #: 245 total cpu time spent up to now is 50.2 secs Computing kpt #: 246 total cpu time spent up to now is 50.4 secs Computing kpt #: 247 total cpu time spent up to now is 50.6 secs Computing kpt #: 248 total cpu time spent up to now is 50.8 secs Computing kpt #: 249 total cpu time spent up to now is 51.0 secs Computing kpt #: 250 total cpu time spent up to now is 51.2 secs Computing kpt #: 251 total cpu time spent up to now is 51.4 secs Computing kpt #: 252 total cpu time spent up to now is 51.6 secs Computing kpt #: 253 total cpu time spent up to now is 51.8 secs Computing kpt #: 254 total cpu time spent up to now is 52.0 secs Computing kpt #: 255 total cpu time spent up to now is 52.2 secs Computing kpt #: 256 total cpu time spent up to now is 52.4 secs Computing kpt #: 257 total cpu time spent up to now is 52.6 secs Computing kpt #: 258 total cpu time spent up to now is 52.8 secs Computing kpt #: 259 total cpu time spent up to now is 53.0 secs Computing kpt #: 260 total cpu time spent up to now is 53.2 secs Computing kpt #: 261 total cpu time spent up to now is 53.3 secs Computing kpt #: 262 total cpu time spent up to now is 53.5 secs Computing kpt #: 263 total cpu time spent up to now is 53.7 secs Computing kpt #: 264 total cpu time spent up to now is 53.9 secs Computing kpt #: 265 total cpu time spent up to now is 54.0 secs Computing kpt #: 266 total cpu time spent up to now is 54.2 secs Computing kpt #: 267 total cpu time spent up to now is 54.4 secs Computing kpt #: 268 total cpu time spent up to now is 54.6 secs Computing kpt #: 269 total cpu time spent up to now is 54.8 secs Computing kpt #: 270 total cpu time spent up to now is 54.9 secs Computing kpt #: 271 total cpu time spent up to now is 55.1 secs Computing kpt #: 272 total cpu time spent up to now is 55.3 secs Computing kpt #: 273 total cpu time spent up to now is 55.5 secs Computing kpt #: 274 total cpu time spent up to now is 55.6 secs Computing kpt #: 275 total cpu time spent up to now is 55.8 secs Computing kpt #: 276 total cpu time spent up to now is 56.0 secs Computing kpt #: 277 total cpu time spent up to now is 56.2 secs Computing kpt #: 278 total cpu time spent up to now is 56.4 secs Computing kpt #: 279 total cpu time spent up to now is 56.5 secs Computing kpt #: 280 total cpu time spent up to now is 56.7 secs Computing kpt #: 281 total cpu time spent up to now is 56.9 secs Computing kpt #: 282 total cpu time spent up to now is 57.1 secs Computing kpt #: 283 total cpu time spent up to now is 57.3 secs Computing kpt #: 284 total cpu time spent up to now is 57.4 secs Computing kpt #: 285 total cpu time spent up to now is 57.6 secs Computing kpt #: 286 total cpu time spent up to now is 57.8 secs Computing kpt #: 287 total cpu time spent up to now is 58.0 secs Computing kpt #: 288 total cpu time spent up to now is 58.2 secs Computing kpt #: 289 total cpu time spent up to now is 58.3 secs Computing kpt #: 290 total cpu time spent up to now is 58.5 secs Computing kpt #: 291 total cpu time spent up to now is 58.7 secs Computing kpt #: 292 total cpu time spent up to now is 58.9 secs Computing kpt #: 293 total cpu time spent up to now is 59.0 secs Computing kpt #: 294 total cpu time spent up to now is 59.2 secs Computing kpt #: 295 total cpu time spent up to now is 59.4 secs Computing kpt #: 296 total cpu time spent up to now is 59.6 secs Computing kpt #: 297 total cpu time spent up to now is 59.8 secs Computing kpt #: 298 total cpu time spent up to now is 60.0 secs Computing kpt #: 299 total cpu time spent up to now is 60.1 secs Computing kpt #: 300 total cpu time spent up to now is 60.3 secs Computing kpt #: 301 total cpu time spent up to now is 60.5 secs Computing kpt #: 302 total cpu time spent up to now is 60.7 secs Computing kpt #: 303 total cpu time spent up to now is 60.9 secs Computing kpt #: 304 total cpu time spent up to now is 61.1 secs Computing kpt #: 305 total cpu time spent up to now is 61.4 secs Computing kpt #: 306 total cpu time spent up to now is 61.6 secs Computing kpt #: 307 total cpu time spent up to now is 61.8 secs Computing kpt #: 308 total cpu time spent up to now is 62.1 secs Computing kpt #: 309 total cpu time spent up to now is 62.3 secs Computing kpt #: 310 total cpu time spent up to now is 62.6 secs Computing kpt #: 311 total cpu time spent up to now is 62.8 secs Computing kpt #: 312 total cpu time spent up to now is 63.1 secs Computing kpt #: 313 total cpu time spent up to now is 63.3 secs Computing kpt #: 314 total cpu time spent up to now is 63.6 secs Computing kpt #: 315 total cpu time spent up to now is 63.8 secs Computing kpt #: 316 total cpu time spent up to now is 64.1 secs Computing kpt #: 317 total cpu time spent up to now is 64.3 secs Computing kpt #: 318 total cpu time spent up to now is 64.6 secs Computing kpt #: 319 total cpu time spent up to now is 64.8 secs Computing kpt #: 320 total cpu time spent up to now is 65.0 secs Computing kpt #: 321 total cpu time spent up to now is 65.3 secs Computing kpt #: 322 total cpu time spent up to now is 65.5 secs Computing kpt #: 323 total cpu time spent up to now is 65.7 secs Computing kpt #: 324 total cpu time spent up to now is 65.9 secs Computing kpt #: 325 total cpu time spent up to now is 66.2 secs Computing kpt #: 326 total cpu time spent up to now is 66.4 secs Computing kpt #: 327 total cpu time spent up to now is 66.6 secs Computing kpt #: 328 total cpu time spent up to now is 66.9 secs Computing kpt #: 329 total cpu time spent up to now is 67.1 secs Computing kpt #: 330 total cpu time spent up to now is 67.3 secs Computing kpt #: 331 total cpu time spent up to now is 67.6 secs Computing kpt #: 332 total cpu time spent up to now is 67.8 secs Computing kpt #: 333 total cpu time spent up to now is 68.0 secs Computing kpt #: 334 total cpu time spent up to now is 68.2 secs Computing kpt #: 335 total cpu time spent up to now is 68.5 secs Computing kpt #: 336 total cpu time spent up to now is 68.7 secs Computing kpt #: 337 total cpu time spent up to now is 68.9 secs Computing kpt #: 338 total cpu time spent up to now is 69.1 secs Computing kpt #: 339 total cpu time spent up to now is 69.3 secs Computing kpt #: 340 total cpu time spent up to now is 69.5 secs Computing kpt #: 341 total cpu time spent up to now is 69.7 secs Computing kpt #: 342 total cpu time spent up to now is 69.9 secs Computing kpt #: 343 total cpu time spent up to now is 70.2 secs Computing kpt #: 344 total cpu time spent up to now is 70.4 secs Computing kpt #: 345 total cpu time spent up to now is 70.6 secs Computing kpt #: 346 total cpu time spent up to now is 70.8 secs Computing kpt #: 347 total cpu time spent up to now is 71.1 secs Computing kpt #: 348 total cpu time spent up to now is 71.3 secs Computing kpt #: 349 total cpu time spent up to now is 71.6 secs Computing kpt #: 350 total cpu time spent up to now is 71.8 secs Computing kpt #: 351 total cpu time spent up to now is 72.0 secs Computing kpt #: 352 total cpu time spent up to now is 72.3 secs Computing kpt #: 353 total cpu time spent up to now is 72.5 secs Computing kpt #: 354 total cpu time spent up to now is 72.8 secs Computing kpt #: 355 total cpu time spent up to now is 73.1 secs Computing kpt #: 356 total cpu time spent up to now is 73.3 secs Computing kpt #: 357 total cpu time spent up to now is 73.6 secs Computing kpt #: 358 total cpu time spent up to now is 73.8 secs Computing kpt #: 359 total cpu time spent up to now is 74.1 secs Computing kpt #: 360 total cpu time spent up to now is 74.3 secs Computing kpt #: 361 total cpu time spent up to now is 74.6 secs Computing kpt #: 362 total cpu time spent up to now is 74.8 secs Computing kpt #: 363 total cpu time spent up to now is 75.1 secs Computing kpt #: 364 total cpu time spent up to now is 75.4 secs Computing kpt #: 365 total cpu time spent up to now is 75.6 secs Computing kpt #: 366 total cpu time spent up to now is 75.9 secs Computing kpt #: 367 total cpu time spent up to now is 76.1 secs Computing kpt #: 368 total cpu time spent up to now is 76.3 secs Computing kpt #: 369 total cpu time spent up to now is 76.6 secs Computing kpt #: 370 total cpu time spent up to now is 76.8 secs Computing kpt #: 371 total cpu time spent up to now is 77.1 secs Computing kpt #: 372 total cpu time spent up to now is 77.3 secs Computing kpt #: 373 total cpu time spent up to now is 77.6 secs Computing kpt #: 374 total cpu time spent up to now is 77.8 secs Computing kpt #: 375 total cpu time spent up to now is 78.0 secs Computing kpt #: 376 total cpu time spent up to now is 78.3 secs Computing kpt #: 377 total cpu time spent up to now is 78.5 secs Computing kpt #: 378 total cpu time spent up to now is 78.7 secs Computing kpt #: 379 total cpu time spent up to now is 79.0 secs Computing kpt #: 380 total cpu time spent up to now is 79.2 secs Computing kpt #: 381 total cpu time spent up to now is 79.4 secs Computing kpt #: 382 total cpu time spent up to now is 79.6 secs Computing kpt #: 383 total cpu time spent up to now is 79.8 secs Computing kpt #: 384 total cpu time spent up to now is 80.0 secs Computing kpt #: 385 total cpu time spent up to now is 80.2 secs Computing kpt #: 386 total cpu time spent up to now is 80.4 secs Computing kpt #: 387 total cpu time spent up to now is 80.6 secs Computing kpt #: 388 total cpu time spent up to now is 80.8 secs Computing kpt #: 389 total cpu time spent up to now is 81.0 secs Computing kpt #: 390 total cpu time spent up to now is 81.2 secs Computing kpt #: 391 total cpu time spent up to now is 81.4 secs Computing kpt #: 392 total cpu time spent up to now is 81.6 secs Computing kpt #: 393 total cpu time spent up to now is 81.8 secs Computing kpt #: 394 total cpu time spent up to now is 82.0 secs Computing kpt #: 395 total cpu time spent up to now is 82.2 secs Computing kpt #: 396 total cpu time spent up to now is 82.4 secs Computing kpt #: 397 total cpu time spent up to now is 82.6 secs Computing kpt #: 398 total cpu time spent up to now is 82.8 secs Computing kpt #: 399 total cpu time spent up to now is 83.0 secs Computing kpt #: 400 total cpu time spent up to now is 83.2 secs Computing kpt #: 401 total cpu time spent up to now is 83.4 secs Computing kpt #: 402 total cpu time spent up to now is 83.5 secs Computing kpt #: 403 total cpu time spent up to now is 83.7 secs Computing kpt #: 404 total cpu time spent up to now is 83.9 secs Computing kpt #: 405 total cpu time spent up to now is 84.1 secs Computing kpt #: 406 total cpu time spent up to now is 84.3 secs Computing kpt #: 407 total cpu time spent up to now is 84.5 secs Computing kpt #: 408 total cpu time spent up to now is 84.7 secs Computing kpt #: 409 total cpu time spent up to now is 84.9 secs Computing kpt #: 410 total cpu time spent up to now is 85.1 secs Computing kpt #: 411 total cpu time spent up to now is 85.3 secs Computing kpt #: 412 total cpu time spent up to now is 85.5 secs Computing kpt #: 413 total cpu time spent up to now is 85.6 secs Computing kpt #: 414 total cpu time spent up to now is 85.8 secs Computing kpt #: 415 total cpu time spent up to now is 86.0 secs Computing kpt #: 416 total cpu time spent up to now is 86.2 secs Computing kpt #: 417 total cpu time spent up to now is 86.4 secs Computing kpt #: 418 total cpu time spent up to now is 86.6 secs Computing kpt #: 419 total cpu time spent up to now is 86.8 secs Computing kpt #: 420 total cpu time spent up to now is 86.9 secs Computing kpt #: 421 total cpu time spent up to now is 87.1 secs Computing kpt #: 422 total cpu time spent up to now is 87.3 secs Computing kpt #: 423 total cpu time spent up to now is 87.5 secs Computing kpt #: 424 total cpu time spent up to now is 87.7 secs Computing kpt #: 425 total cpu time spent up to now is 87.9 secs Computing kpt #: 426 total cpu time spent up to now is 88.1 secs Computing kpt #: 427 total cpu time spent up to now is 88.4 secs Computing kpt #: 428 total cpu time spent up to now is 88.6 secs Computing kpt #: 429 total cpu time spent up to now is 88.8 secs Computing kpt #: 430 total cpu time spent up to now is 89.0 secs Computing kpt #: 431 total cpu time spent up to now is 89.3 secs Computing kpt #: 432 total cpu time spent up to now is 89.5 secs Computing kpt #: 433 total cpu time spent up to now is 89.8 secs Computing kpt #: 434 total cpu time spent up to now is 90.0 secs Computing kpt #: 435 total cpu time spent up to now is 90.3 secs Computing kpt #: 436 total cpu time spent up to now is 90.5 secs Computing kpt #: 437 total cpu time spent up to now is 90.7 secs Computing kpt #: 438 total cpu time spent up to now is 90.9 secs Computing kpt #: 439 total cpu time spent up to now is 91.2 secs Computing kpt #: 440 total cpu time spent up to now is 91.4 secs Computing kpt #: 441 total cpu time spent up to now is 91.6 secs Computing kpt #: 442 total cpu time spent up to now is 91.8 secs ethr = 3.85E-08, avg # of iterations = 13.4 total cpu time spent up to now is 91.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1677 PWs) bands (ev): 7.6298 7.6298 9.1257 9.1257 9.7678 9.7678 9.9852 9.9852 10.0796 10.0796 10.3438 10.3438 10.7150 10.7150 10.9069 10.9069 10.9303 10.9303 11.1203 11.1203 12.2316 12.2316 14.5179 14.5179 16.9865 16.9865 17.5788 17.5788 17.7681 17.7681 20.8458 20.8458 21.8390 21.8390 k = 0.0000 0.0000 0.0145 ( 1677 PWs) bands (ev): 7.6319 7.6319 9.1261 9.1261 9.7680 9.7680 9.9848 9.9848 10.0793 10.0793 10.3435 10.3435 10.7145 10.7145 10.9045 10.9045 10.9328 10.9328 11.1206 11.1206 12.2306 12.2306 14.5198 14.5198 16.9871 16.9871 17.5788 17.5788 17.7677 17.7677 20.8445 20.8445 21.8425 21.8425 k = 0.0000 0.0000 0.0289 ( 1677 PWs) bands (ev): 7.6379 7.6379 9.1273 9.1273 9.7686 9.7686 9.9834 9.9834 10.0783 10.0783 10.3425 10.3425 10.7131 10.7131 10.8992 10.8992 10.9383 10.9383 11.1217 11.1217 12.2277 12.2277 14.5255 14.5255 16.9887 16.9887 17.5787 17.5787 17.7666 17.7666 20.8405 20.8405 21.8530 21.8530 k = 0.0000 0.0000 0.0434 ( 1677 PWs) bands (ev): 7.6479 7.6479 9.1295 9.1295 9.7694 9.7694 9.9812 9.9812 10.0767 10.0767 10.3409 10.3409 10.7109 10.7109 10.8931 10.8931 10.9444 10.9444 11.1237 11.1237 12.2230 12.2230 14.5349 14.5349 16.9914 16.9914 17.5783 17.5783 17.7648 17.7648 20.8338 20.8338 21.8704 21.8704 k = 0.0000 0.0000 0.0579 ( 1677 PWs) bands (ev): 7.6620 7.6620 9.1324 9.1324 9.7706 9.7706 9.9782 9.9782 10.0745 10.0745 10.3388 10.3388 10.7077 10.7077 10.8869 10.8869 10.9499 10.9499 11.1273 11.1273 12.2166 12.2166 14.5479 14.5479 16.9952 16.9952 17.5774 17.5774 17.7627 17.7627 20.8243 20.8243 21.8946 21.8946 k = 0.0000 0.0000 0.0724 ( 1677 PWs) bands (ev): 7.6799 7.6799 9.1362 9.1362 9.7719 9.7719 9.9745 9.9745 10.0715 10.0715 10.3364 10.3364 10.7036 10.7036 10.8809 10.8809 10.9539 10.9539 11.1329 11.1329 12.2087 12.2087 14.5645 14.5645 17.0002 17.0002 17.5756 17.5756 17.7604 17.7604 20.8118 20.8118 21.9253 21.9253 k = 0.0000 0.0000 0.0868 ( 1677 PWs) bands (ev): 7.7017 7.7017 9.1408 9.1408 9.7731 9.7731 9.9701 9.9701 10.0679 10.0679 10.3336 10.3336 10.6988 10.6988 10.8751 10.8751 10.9558 10.9558 11.1410 11.1410 12.1997 12.1997 14.5845 14.5845 17.0063 17.0063 17.5724 17.5724 17.7585 17.7585 20.7964 20.7964 21.9624 21.9624 k = 0.0000 0.0000 0.1013 ( 1677 PWs) bands (ev): 7.7273 7.7273 9.1462 9.1462 9.7740 9.7740 9.9653 9.9653 10.0636 10.0636 10.3306 10.3306 10.6933 10.6933 10.8695 10.8695 10.9555 10.9555 11.1519 11.1519 12.1898 12.1898 14.6076 14.6076 17.0137 17.0137 17.5672 17.5672 17.7573 17.7573 20.7778 20.7778 22.0055 22.0055 k = 0.0000 0.0000 0.1158 ( 1679 PWs) bands (ev): 7.7566 7.7566 9.1525 9.1525 9.7743 9.7743 9.9602 9.9602 10.0588 10.0588 10.3275 10.3275 10.6871 10.6871 10.8639 10.8639 10.9530 10.9530 11.1655 11.1655 12.1793 12.1793 14.6338 14.6338 17.0224 17.0224 17.5595 17.5595 17.7571 17.7571 20.7557 20.7557 22.0542 22.0542 k = 0.0000 0.0000 0.1302 ( 1679 PWs) bands (ev): 7.7894 7.7894 9.1596 9.1596 9.7736 9.7736 9.9553 9.9553 10.0534 10.0534 10.3243 10.3243 10.6805 10.6805 10.8583 10.8583 10.9486 10.9486 11.1817 11.1817 12.1687 12.1687 14.6628 14.6628 17.0324 17.0324 17.5491 17.5491 17.7584 17.7584 20.7302 20.7302 22.1082 22.1082 k = 0.0000 0.0000 0.1447 ( 1679 PWs) bands (ev): 7.8257 7.8257 9.1675 9.1675 9.7714 9.7714 9.9508 9.9508 10.0475 10.0475 10.3212 10.3212 10.6735 10.6735 10.8524 10.8524 10.9429 10.9429 11.2001 11.2001 12.1583 12.1583 14.6944 14.6944 17.0438 17.0438 17.5354 17.5354 17.7613 17.7613 20.7008 20.7008 22.1669 22.1669 k = 0.0000 0.0000 0.1592 ( 1683 PWs) bands (ev): 7.8653 7.8653 9.1762 9.1762 9.7673 9.7673 9.9472 9.9472 10.0412 10.0412 10.3181 10.3181 10.6664 10.6664 10.8461 10.8461 10.9361 10.9361 11.2203 11.2203 12.1482 12.1482 14.7284 14.7284 17.0567 17.0567 17.5186 17.5186 17.7656 17.7656 20.6675 20.6675 22.2297 22.2297 k = 0.0000 0.0000 0.1736 ( 1683 PWs) bands (ev): 7.9080 7.9080 9.1857 9.1857 9.7605 9.7605 9.9450 9.9450 10.0348 10.0348 10.3151 10.3151 10.6595 10.6595 10.8392 10.8392 10.9291 10.9291 11.2420 11.2420 12.1393 12.1393 14.7644 14.7644 17.0712 17.0712 17.4985 17.4985 17.7713 17.7713 20.6302 20.6302 22.2961 22.2961 k = 0.0000 0.0000 0.1881 ( 1683 PWs) bands (ev): 7.9536 7.9536 9.1960 9.1960 9.7509 9.7509 9.9442 9.9442 10.0282 10.0282 10.3120 10.3120 10.6530 10.6530 10.8315 10.8315 10.9223 10.9223 11.2648 11.2648 12.1317 12.1317 14.8024 14.8024 17.0873 17.0873 17.4753 17.4753 17.7782 17.7782 20.5885 20.5885 22.3654 22.3654 k = 0.0000 0.0000 0.2026 ( 1687 PWs) bands (ev): 8.0019 8.0019 9.2070 9.2070 9.7381 9.7381 9.9449 9.9449 10.0217 10.0217 10.3091 10.3091 10.6470 10.6470 10.8229 10.8229 10.9158 10.9158 11.2885 11.2885 12.1257 12.1257 14.8420 14.8420 17.1051 17.1051 17.4491 17.4491 17.7861 17.7861 20.5425 20.5425 22.4366 22.4366 k = 0.0000 0.0000 0.2171 ( 1688 PWs) bands (ev): 8.0525 8.0525 9.2189 9.2189 9.7225 9.7225 9.9464 9.9464 10.0158 10.0158 10.3063 10.3063 10.6421 10.6421 10.8135 10.8135 10.9101 10.9101 11.3128 11.3128 12.1215 12.1215 14.8830 14.8830 17.1247 17.1247 17.4200 17.4200 17.7947 17.7947 20.4919 20.4919 22.5090 22.5090 k = 0.0000 0.0000 0.2315 ( 1684 PWs) bands (ev): 8.1053 8.1053 9.2314 9.2314 9.7044 9.7044 9.9480 9.9480 10.0112 10.0112 10.3038 10.3038 10.6383 10.6383 10.8037 10.8037 10.9054 10.9054 11.3375 11.3375 12.1193 12.1193 14.9252 14.9252 17.1462 17.1462 17.3882 17.3882 17.8038 17.8038 20.4368 20.4368 22.5816 22.5816 k = 0.0000 0.0000 0.2460 ( 1688 PWs) bands (ev): 8.1599 8.1599 9.2446 9.2446 9.6839 9.6839 9.9480 9.9480 10.0088 10.0088 10.3015 10.3015 10.6357 10.6357 10.7934 10.7934 10.9015 10.9015 11.3623 11.3623 12.1192 12.1192 14.9682 14.9682 17.1695 17.1695 17.3538 17.3538 17.8133 17.8133 20.3771 20.3771 22.6532 22.6532 k = 0.0000 0.0000 0.2605 ( 1688 PWs) bands (ev): 8.2158 8.2158 9.2584 9.2584 9.6616 9.6616 9.9450 9.9450 10.0099 10.0099 10.2998 10.2998 10.6348 10.6348 10.7835 10.7835 10.8985 10.8985 11.3872 11.3872 12.1213 12.1213 15.0119 15.0119 17.1944 17.1944 17.3173 17.3173 17.8229 17.8229 20.3130 20.3130 22.7228 22.7228 k = 0.0000 0.0000 0.2749 ( 1690 PWs) bands (ev): 8.2727 8.2727 9.2727 9.2727 9.6379 9.6379 9.9386 9.9386 10.0144 10.0144 10.2988 10.2988 10.6356 10.6356 10.7743 10.7743 10.8964 10.8964 11.4120 11.4120 12.1257 12.1257 15.0560 15.0560 17.2194 17.2194 17.2805 17.2805 17.8327 17.8327 20.2445 20.2445 22.7891 22.7891 k = 0.0000 0.0000 0.2894 ( 1692 PWs) bands (ev): 8.3300 8.3300 9.2874 9.2874 9.6132 9.6132 9.9290 9.9290 10.0217 10.0217 10.2985 10.2985 10.6382 10.6382 10.7667 10.7667 10.8951 10.8951 11.4365 11.4365 12.1322 12.1322 15.1001 15.1001 17.2225 17.2225 17.2653 17.2653 17.8424 17.8424 20.1719 20.1719 22.8507 22.8507 k = 0.0000 0.0000 0.3039 ( 1684 PWs) bands (ev): 8.3873 8.3873 9.3023 9.3023 9.5883 9.5883 9.9174 9.9174 10.0307 10.0307 10.2992 10.2992 10.6428 10.6428 10.7614 10.7614 10.8945 10.8945 11.4607 11.4607 12.1412 12.1412 15.1441 15.1441 17.1841 17.1841 17.2916 17.2916 17.8521 17.8521 20.0954 20.0954 22.9062 22.9062 k = 0.0000 0.0000 0.3184 ( 1684 PWs) bands (ev): 8.4440 8.4440 9.3170 9.3170 9.5635 9.5635 9.9037 9.9037 10.0407 10.0407 10.3005 10.3005 10.6494 10.6494 10.7591 10.7591 10.8945 10.8945 11.4844 11.4844 12.1518 12.1518 15.1877 15.1877 17.1381 17.1381 17.3256 17.3256 17.8615 17.8615 20.0154 20.0154 22.9542 22.9542 k = 0.0000 0.0000 0.3328 ( 1684 PWs) bands (ev): 8.4995 8.4995 9.3310 9.3310 9.5398 9.5398 9.8887 9.8887 10.0511 10.0511 10.3026 10.3026 10.6578 10.6578 10.7611 10.7611 10.8953 10.8953 11.5075 11.5075 12.1642 12.1642 15.2304 15.2304 17.0889 17.0889 17.3631 17.3631 17.8707 17.8707 19.9322 19.9322 22.9935 22.9935 k = 0.0000 0.0000 0.3473 ( 1684 PWs) bands (ev): 8.5532 8.5532 9.3433 9.3433 9.5183 9.5183 9.8725 9.8725 10.0616 10.0616 10.3050 10.3050 10.6677 10.6677 10.7686 10.7686 10.8968 10.8968 11.5299 11.5299 12.1781 12.1781 15.2720 15.2720 17.0371 17.0371 17.4035 17.4035 17.8797 17.8797 19.8464 19.8464 23.0229 23.0229 k = 0.0000 0.0000 0.3618 ( 1688 PWs) bands (ev): 8.6044 8.6044 9.3522 9.3522 9.5008 9.5008 9.8553 9.8553 10.0720 10.0720 10.3076 10.3076 10.6781 10.6781 10.7834 10.7834 10.8991 10.8991 11.5516 11.5516 12.1935 12.1935 15.3121 15.3121 16.9829 16.9829 17.4468 17.4468 17.8883 17.8883 19.7584 19.7584 23.0413 23.0413 k = 0.0000 0.0000 0.3762 ( 1690 PWs) bands (ev): 8.6525 8.6525 9.3556 9.3556 9.4900 9.4900 9.8377 9.8377 10.0820 10.0820 10.3101 10.3101 10.6886 10.6886 10.8065 10.8065 10.9025 10.9025 11.5725 11.5725 12.2099 12.2099 15.3505 15.3505 16.9264 16.9264 17.4930 17.4930 17.8966 17.8966 19.6690 19.6690 23.0482 23.0482 k = 0.0000 0.0000 0.3907 ( 1690 PWs) bands (ev): 8.6970 8.6970 9.3517 9.3517 9.4878 9.4878 9.8197 9.8197 10.0918 10.0918 10.3126 10.3126 10.6988 10.6988 10.8379 10.8379 10.9080 10.9080 11.5923 11.5923 12.2273 12.2273 15.3866 15.3866 16.8677 16.8677 17.5420 17.5420 17.9047 17.9047 19.5787 19.5787 23.0433 23.0433 k = 0.0000 0.0000 0.4052 ( 1694 PWs) bands (ev): 8.7372 8.7372 9.3408 9.3408 9.4938 9.4938 9.8016 9.8016 10.1012 10.1012 10.3149 10.3149 10.7088 10.7088 10.8732 10.8732 10.9198 10.9198 11.6116 11.6116 12.2451 12.2451 15.4200 15.4200 16.8070 16.8070 17.5941 17.5941 17.9124 17.9124 19.4881 19.4881 23.0267 23.0267 k = 0.0000 0.0000 0.4196 ( 1694 PWs) bands (ev): 8.7728 8.7728 9.3257 9.3257 9.5055 9.5055 9.7837 9.7837 10.1104 10.1104 10.3173 10.3173 10.7189 10.7189 10.8972 10.8972 10.9531 10.9531 11.6301 11.6301 12.2633 12.2633 15.4504 15.4504 16.7441 16.7441 17.6493 17.6493 17.9199 17.9199 19.3982 19.3982 22.9989 22.9989 k = 0.0000 0.0000 0.4341 ( 1692 PWs) bands (ev): 8.8035 8.8035 9.3086 9.3086 9.5207 9.5207 9.7663 9.7663 10.1196 10.1196 10.3202 10.3202 10.7294 10.7294 10.9080 10.9080 11.0092 11.0092 11.6479 11.6479 12.2815 12.2815 15.4772 15.4772 16.6793 16.6793 17.7073 17.7073 17.9272 17.9272 19.3095 19.3095 22.9609 22.9609 k = 0.0000 0.0000 0.4486 ( 1688 PWs) bands (ev): 8.8290 8.8290 9.2912 9.2912 9.5379 9.5379 9.7495 9.7495 10.1285 10.1285 10.3236 10.3236 10.7402 10.7402 10.9159 10.9159 11.0777 11.0777 11.6650 11.6650 12.2996 12.2996 15.5000 15.5000 16.6126 16.6126 17.7682 17.7682 17.9347 17.9347 19.2229 19.2229 22.9138 22.9138 k = 0.0000 0.0000 0.4631 ( 1684 PWs) bands (ev): 8.8494 8.8494 9.2743 9.2743 9.5561 9.5561 9.7337 9.7337 10.1373 10.1373 10.3277 10.3277 10.7516 10.7516 10.9234 10.9234 11.1549 11.1549 11.6815 11.6815 12.3172 12.3172 15.5183 15.5183 16.5441 16.5441 17.8311 17.8311 17.9429 17.9429 19.1392 19.1392 22.8587 22.8587 k = 0.0000 0.0000 0.4775 ( 1684 PWs) bands (ev): 8.8647 8.8647 9.2585 9.2585 9.5746 9.5746 9.7192 9.7192 10.1461 10.1461 10.3327 10.3327 10.7632 10.7632 10.9314 10.9314 11.2394 11.2394 11.6978 11.6978 12.3340 12.3340 15.5316 15.5316 16.4738 16.4738 17.8928 17.8928 17.9554 17.9554 19.0591 19.0591 22.7970 22.7970 k = 0.0000 0.0000 0.4920 ( 1688 PWs) bands (ev): 8.8753 8.8753 9.2442 9.2442 9.5926 9.5926 9.7064 9.7064 10.1549 10.1549 10.3386 10.3386 10.7750 10.7750 10.9400 10.9400 11.3299 11.3299 11.7144 11.7144 12.3497 12.3497 15.5396 15.5396 16.4019 16.4019 17.9343 17.9343 17.9912 17.9912 18.9833 18.9833 22.7300 22.7300 k = 0.0000 0.0000 0.5065 ( 1690 PWs) bands (ev): 8.8815 8.8815 9.2312 9.2312 9.6095 9.6095 9.6960 9.6960 10.1639 10.1639 10.3456 10.3456 10.7873 10.7873 10.9496 10.9496 11.4241 11.4241 11.7328 11.7328 12.3640 12.3640 15.5418 15.5418 16.3286 16.3286 17.9485 17.9485 18.0572 18.0572 18.9125 18.9125 22.6591 22.6591 k = 0.0000 0.0000 0.5209 ( 1692 PWs) bands (ev): 8.8839 8.8839 9.2195 9.2195 9.6233 9.6233 9.6899 9.6899 10.1731 10.1731 10.3536 10.3536 10.7998 10.7998 10.9603 10.9603 11.5181 11.5181 11.7564 11.7564 12.3770 12.3770 15.5380 15.5380 16.2538 16.2538 17.9566 17.9566 18.1326 18.1326 18.8473 18.8473 22.5853 22.5853 k = 0.0000 0.0000 0.5354 ( 1692 PWs) bands (ev): 8.8831 8.8831 9.2091 9.2091 9.6313 9.6313 9.6908 9.6908 10.1827 10.1827 10.3625 10.3625 10.8125 10.8125 10.9721 10.9721 11.6028 11.6028 11.7939 11.7939 12.3884 12.3884 15.5280 15.5280 16.1777 16.1777 17.9633 17.9633 18.2126 18.2126 18.7882 18.7882 22.5097 22.5097 k = 0.0000 0.0000 0.5499 ( 1692 PWs) bands (ev): 8.8796 8.8796 9.1999 9.1999 9.6326 9.6326 9.6995 9.6995 10.1926 10.1926 10.3722 10.3722 10.8252 10.8252 10.9851 10.9851 11.6631 11.6631 11.8593 11.8593 12.3979 12.3979 15.5118 15.5118 16.1005 16.1005 17.9696 17.9696 18.2963 18.2963 18.7355 18.7355 22.4333 22.4333 k = 0.0000 0.0000 0.5644 ( 1692 PWs) bands (ev): 8.8740 8.8740 9.1918 9.1918 9.6300 9.6300 9.7130 9.7130 10.2029 10.2029 10.3825 10.3825 10.8380 10.8380 10.9995 10.9995 11.6968 11.6968 11.9543 11.9543 12.4053 12.4053 15.4894 15.4894 16.0222 16.0222 17.9759 17.9759 18.3831 18.3831 18.6895 18.6895 22.3568 22.3568 k = 0.0000 0.0000 0.5788 ( 1692 PWs) bands (ev): 8.8671 8.8671 9.1848 9.1848 9.6265 9.6265 9.7285 9.7285 10.2135 10.2135 10.3932 10.3932 10.8507 10.8507 11.0152 11.0152 11.7156 11.7156 12.0666 12.0666 12.4107 12.4107 15.4613 15.4613 15.9429 15.9429 17.9822 17.9822 18.4729 18.4729 18.6505 18.6505 22.2809 22.2809 k = 0.0000 0.0000 0.5933 ( 1696 PWs) bands (ev): 8.8587 8.8587 9.1788 9.1788 9.6234 9.6234 9.7447 9.7447 10.2245 10.2245 10.4040 10.4040 10.8633 10.8633 11.0325 11.0325 11.7277 11.7277 12.1869 12.1869 12.4140 12.4140 15.4279 15.4279 15.8628 15.8628 17.9887 17.9887 18.5624 18.5624 18.6212 18.6212 22.2063 22.2063 k = 0.0000 0.0000 0.6078 ( 1696 PWs) bands (ev): 8.8494 8.8494 9.1738 9.1738 9.6215 9.6215 9.7607 9.7607 10.2360 10.2360 10.4151 10.4151 10.8756 10.8756 11.0515 11.0515 11.7360 11.7360 12.3096 12.3096 12.4177 12.4177 15.3900 15.3900 15.7821 15.7821 17.9956 17.9956 18.5842 18.5842 18.6689 18.6689 22.1334 22.1334 k = 0.0000 0.0000 0.6222 ( 1702 PWs) bands (ev): 8.8394 8.8394 9.1700 9.1700 9.6211 9.6211 9.7762 9.7762 10.2477 10.2477 10.4260 10.4260 10.8876 10.8876 11.0721 11.0721 11.7419 11.7419 12.3952 12.3952 12.4581 12.4581 15.3483 15.3483 15.7008 15.7008 18.0028 18.0028 18.5648 18.5648 18.7665 18.7665 22.0626 22.0626 k = 0.0000 0.0000 0.6367 ( 1702 PWs) bands (ev): 8.8290 8.8290 9.1673 9.1673 9.6225 9.6225 9.7912 9.7912 10.2597 10.2597 10.4366 10.4366 10.8992 10.8992 11.0947 11.0947 11.7463 11.7463 12.3993 12.3993 12.5787 12.5787 15.3039 15.3039 15.6191 15.6191 18.0105 18.0105 18.5488 18.5488 18.8687 18.8687 21.9943 21.9943 k = 0.0000 0.0000 0.6512 ( 1702 PWs) bands (ev): 8.8182 8.8182 9.1660 9.1660 9.6256 9.6256 9.8055 9.8055 10.2720 10.2720 10.4467 10.4467 10.9102 10.9102 11.1192 11.1192 11.7494 11.7494 12.3930 12.3930 12.7070 12.7070 15.2581 15.2581 15.5374 15.5374 18.0187 18.0187 18.5370 18.5370 18.9742 18.9742 21.9287 21.9287 k = 0.0000 0.0000 0.6657 ( 1702 PWs) bands (ev): 8.8071 8.8071 9.1661 9.1661 9.6306 9.6306 9.8190 9.8190 10.2845 10.2845 10.4562 10.4562 10.9207 10.9207 11.1456 11.1456 11.7514 11.7514 12.3831 12.3831 12.8348 12.8348 15.2122 15.2122 15.4559 15.4559 18.0274 18.0274 18.5288 18.5288 19.0827 19.0827 21.8660 21.8660 k = 0.0000 0.0000 0.6801 ( 1702 PWs) bands (ev): 8.7959 8.7959 9.1676 9.1676 9.6376 9.6376 9.8316 9.8316 10.2971 10.2971 10.4649 10.4649 10.9304 10.9304 11.1739 11.1739 11.7525 11.7525 12.3702 12.3702 12.9600 12.9600 15.1676 15.1676 15.3751 15.3751 18.0367 18.0367 18.5235 18.5235 19.1940 19.1940 21.8064 21.8064 k = 0.0000 0.0000 0.6946 ( 1702 PWs) bands (ev): 8.7846 8.7846 9.1707 9.1707 9.6465 9.6465 9.8434 9.8434 10.3098 10.3098 10.4727 10.4727 10.9393 10.9393 11.2040 11.2040 11.7529 11.7529 12.3548 12.3548 13.0806 13.0806 15.1254 15.1254 15.2961 15.2961 18.0465 18.0465 18.5204 18.5204 19.3080 19.3080 21.7498 21.7498 k = 0.0000 0.0000 0.7091 ( 1706 PWs) bands (ev): 8.7731 8.7731 9.1753 9.1753 9.6573 9.6573 9.8542 9.8542 10.3225 10.3225 10.4795 10.4795 10.9472 10.9472 11.2359 11.2359 11.7527 11.7527 12.3367 12.3367 13.1945 13.1945 15.0859 15.0859 15.2210 15.2210 18.0569 18.0569 18.5187 18.5187 19.4247 19.4247 21.6965 21.6965 k = 0.0000 0.0000 0.7235 ( 1698 PWs) bands (ev): 8.7618 8.7618 9.1815 9.1815 9.6703 9.6703 9.8643 9.8643 10.3351 10.3351 10.4853 10.4853 10.9542 10.9542 11.2695 11.2695 11.7521 11.7521 12.3169 12.3169 13.2996 13.2996 15.0458 15.0458 15.1559 15.1559 18.0679 18.0679 18.5178 18.5178 19.5440 19.5440 21.6464 21.6464 k = 0.0000 0.0000 0.7380 ( 1698 PWs) bands (ev): 8.7505 8.7505 9.1893 9.1893 9.6849 9.6849 9.8734 9.8734 10.3477 10.3477 10.4900 10.4900 10.9599 10.9599 11.3046 11.3046 11.7510 11.7510 12.2949 12.2949 13.3934 13.3934 14.9952 14.9952 15.1134 15.1134 18.0793 18.0793 18.5169 18.5169 19.6658 19.6658 21.5994 21.5994 k = 0.0000 0.0000 0.7525 ( 1698 PWs) bands (ev): 8.7393 8.7393 9.1985 9.1985 9.7012 9.7012 9.8817 9.8817 10.3600 10.3600 10.4936 10.4936 10.9643 10.9643 11.3410 11.3410 11.7496 11.7496 12.2711 12.2711 13.4734 13.4734 14.9303 14.9303 15.1001 15.1001 18.0912 18.0912 18.5153 18.5153 19.7899 19.7899 21.5557 21.5557 k = 0.0000 0.0000 0.7669 ( 1694 PWs) bands (ev): 8.7283 8.7283 9.2092 9.2092 9.7192 9.7192 9.8892 9.8892 10.3722 10.3722 10.4962 10.4962 10.9674 10.9674 11.3787 11.3787 11.7481 11.7481 12.2460 12.2460 13.5378 13.5378 14.8583 14.8583 15.1111 15.1111 18.1033 18.1033 18.5126 18.5126 19.9164 19.9164 21.5150 21.5150 k = 0.0000 0.0000 0.7814 ( 1702 PWs) bands (ev): 8.7172 8.7172 9.2212 9.2212 9.7386 9.7386 9.8958 9.8958 10.3840 10.3840 10.4976 10.4976 10.9689 10.9689 11.4171 11.4171 11.7463 11.7463 12.2196 12.2196 13.5855 13.5855 14.7844 14.7844 15.1424 15.1424 18.1157 18.1157 18.5082 18.5082 20.0450 20.0450 21.4774 21.4774 k = 0.0000 0.0000 0.7959 ( 1702 PWs) bands (ev): 8.7068 8.7068 9.2342 9.2342 9.7593 9.7593 9.9017 9.9017 10.3954 10.3954 10.4982 10.4982 10.9689 10.9689 11.4561 11.4561 11.7447 11.7447 12.1925 12.1925 13.6172 13.6172 14.7108 14.7108 15.1916 15.1916 18.1282 18.1282 18.5016 18.5016 20.1758 20.1758 21.4429 21.4429 k = 0.0000 0.0000 0.8104 ( 1702 PWs) bands (ev): 8.6967 8.6967 9.2484 9.2484 9.7811 9.7811 9.9070 9.9070 10.4063 10.4063 10.4981 10.4981 10.9672 10.9672 11.4952 11.4952 11.7434 11.7434 12.1650 12.1650 13.6342 13.6342 14.6385 14.6385 15.2562 15.2562 18.1407 18.1407 18.4926 18.4926 20.3086 20.3086 21.4112 21.4112 k = 0.0000 0.0000 0.8248 ( 1706 PWs) bands (ev): 8.6870 8.6870 9.2629 9.2629 9.8037 9.8037 9.9115 9.9115 10.4163 10.4163 10.4974 10.4974 10.9636 10.9636 11.5342 11.5342 11.7424 11.7424 12.1375 12.1375 13.6390 13.6390 14.5683 14.5683 15.3331 15.3331 18.1531 18.1531 18.4810 18.4810 20.4433 20.4433 21.3823 21.3823 k = 0.0000 0.0000 0.8393 ( 1708 PWs) bands (ev): 8.6779 8.6779 9.2782 9.2782 9.8267 9.8267 9.9154 9.9154 10.4253 10.4253 10.4969 10.4969 10.9584 10.9584 11.5726 11.5726 11.7418 11.7418 12.1103 12.1103 13.6344 13.6344 14.5007 14.5007 15.4190 15.4190 18.1652 18.1652 18.4665 18.4665 20.5797 20.5797 21.3562 21.3562 k = 0.0000 0.0000 0.8538 ( 1706 PWs) bands (ev): 8.6693 8.6693 9.2937 9.2937 9.8499 9.8499 9.9188 9.9188 10.4328 10.4328 10.4970 10.4970 10.9516 10.9516 11.6100 11.6100 11.7419 11.7419 12.0840 12.0840 13.6230 13.6230 14.4363 14.4363 15.5104 15.5104 18.1769 18.1769 18.4494 18.4494 20.7177 20.7177 21.3328 21.3328 k = 0.0000 0.0000 0.8682 ( 1710 PWs) bands (ev): 8.6614 8.6614 9.3092 9.3092 9.8726 9.8726 9.9217 9.9217 10.4379 10.4379 10.4984 10.4984 10.9433 10.9433 11.6453 11.6453 11.7426 11.7426 12.0586 12.0586 13.6073 13.6073 14.3756 14.3756 15.6043 15.6043 18.1880 18.1880 18.4299 18.4299 20.8571 20.8571 21.3120 21.3120 k = 0.0000 0.0000 0.8827 ( 1714 PWs) bands (ev): 8.6542 8.6542 9.3242 9.3242 9.8945 9.8945 9.9244 9.9244 10.4406 10.4406 10.5017 10.5017 10.9337 10.9337 11.6780 11.6780 11.7445 11.7445 12.0348 12.0348 13.5893 13.5893 14.3191 14.3191 15.6977 15.6977 18.1983 18.1983 18.4083 18.4083 20.9973 20.9973 21.2942 21.2942 k = 0.0000 0.0000 0.8972 ( 1712 PWs) bands (ev): 8.6477 8.6477 9.3385 9.3385 9.9138 9.9138 9.9284 9.9284 10.4409 10.4409 10.5070 10.5070 10.9231 10.9231 11.7068 11.7068 11.7486 11.7486 12.0131 12.0131 13.5704 13.5704 14.2674 14.2674 15.7881 15.7881 18.2079 18.2079 18.3853 18.3853 21.1368 21.1368 21.2805 21.2805 k = 0.0000 0.0000 0.9117 ( 1708 PWs) bands (ev): 8.6420 8.6420 9.3519 9.3519 9.9234 9.9234 9.9400 9.9400 10.4394 10.4394 10.5137 10.5137 10.9119 10.9119 11.7279 11.7279 11.7575 11.7575 11.9937 11.9937 13.5520 13.5520 14.2211 14.2211 15.8728 15.8728 18.2165 18.2165 18.3618 18.3618 21.2448 21.2448 21.3012 21.3012 k = 0.0000 0.0000 0.9261 ( 1704 PWs) bands (ev): 8.6373 8.6373 9.3640 9.3640 9.9259 9.9259 9.9565 9.9565 10.4369 10.4369 10.5211 10.5211 10.9007 10.9007 11.7390 11.7390 11.7725 11.7725 11.9774 11.9774 13.5351 13.5351 14.1806 14.1806 15.9497 15.9497 18.2239 18.2239 18.3389 18.3389 21.2463 21.2463 21.4307 21.4307 k = 0.0000 0.0000 0.9406 ( 1702 PWs) bands (ev): 8.6334 8.6334 9.3745 9.3745 9.9270 9.9270 9.9715 9.9715 10.4340 10.4340 10.5284 10.5284 10.8898 10.8898 11.7450 11.7450 11.7883 11.7883 11.9643 11.9643 13.5204 13.5204 14.1466 14.1466 16.0164 16.0164 18.2301 18.2301 18.3176 18.3176 21.2385 21.2385 21.5706 21.5706 k = 0.0000 0.0000 0.9551 ( 1702 PWs) bands (ev): 8.6302 8.6302 9.3829 9.3829 9.9277 9.9277 9.9838 9.9838 10.4313 10.4313 10.5349 10.5349 10.8803 10.8803 11.7491 11.7491 11.8007 11.8007 11.9549 11.9549 13.5084 13.5084 14.1196 14.1196 16.0709 16.0709 18.2349 18.2349 18.2993 18.2993 21.2317 21.2317 21.7082 21.7082 k = 0.0000 0.0000 0.9695 ( 1702 PWs) bands (ev): 8.6280 8.6280 9.3892 9.3892 9.9281 9.9281 9.9930 9.9930 10.4291 10.4291 10.5402 10.5402 10.8728 10.8728 11.7522 11.7522 11.8088 11.8088 11.9490 11.9490 13.4996 13.4996 14.0999 14.0999 16.1113 16.1113 18.2382 18.2382 18.2852 18.2852 21.2268 21.2268 21.8374 21.8374 k = 0.0000 0.0000 0.9840 ( 1702 PWs) bands (ev): 8.6266 8.6266 9.3930 9.3930 9.9283 9.9283 9.9986 9.9986 10.4277 10.4277 10.5436 10.5436 10.8679 10.8679 11.7543 11.7543 11.8131 11.8131 11.9460 11.9460 13.4942 13.4942 14.0880 14.0880 16.1362 16.1362 18.2401 18.2401 18.2764 18.2764 21.2238 21.2238 21.9436 21.9436 k = 0.0000 0.0000 0.9985 ( 1702 PWs) bands (ev): 8.6261 8.6261 9.3943 9.3943 9.9284 9.9284 10.0005 10.0005 10.4272 10.4272 10.5447 10.5447 10.8662 10.8662 11.7550 11.7550 11.8144 11.8144 11.9451 11.9451 13.4923 13.4923 14.0840 14.0840 16.1446 16.1446 18.2407 18.2407 18.2735 18.2735 21.2228 21.2228 21.9898 21.9898 k = 0.0000 0.0000 0.9985 ( 1702 PWs) bands (ev): 8.6261 8.6261 9.3943 9.3943 9.9284 9.9284 10.0005 10.0005 10.4272 10.4272 10.5447 10.5447 10.8662 10.8662 11.7550 11.7550 11.8144 11.8144 11.9451 11.9451 13.4923 13.4923 14.0840 14.0840 16.1446 16.1446 18.2407 18.2407 18.2735 18.2735 21.2228 21.2228 21.9898 21.9898 k =-0.0070 0.0121 0.9985 ( 1702 PWs) bands (ev): 8.6270 8.6270 9.3944 9.3944 9.9251 9.9251 10.0029 10.0029 10.4220 10.4220 10.5495 10.5495 10.8658 10.8658 11.7526 11.7526 11.8147 11.8147 11.9450 11.9450 13.4928 13.4928 14.0824 14.0824 16.1465 16.1465 18.2414 18.2414 18.2737 18.2737 21.2266 21.2266 21.9892 21.9892 k =-0.0139 0.0241 0.9985 ( 1702 PWs) bands (ev): 8.6297 8.6297 9.3945 9.3945 9.9165 9.9165 10.0089 10.0089 10.4087 10.4087 10.5618 10.5618 10.8644 10.8644 11.7454 11.7454 11.8157 11.8157 11.9447 11.9447 13.4942 13.4942 14.0776 14.0776 16.1522 16.1522 18.2436 18.2436 18.2744 18.2744 21.2380 21.2380 21.9875 21.9875 k =-0.0209 0.0362 0.9985 ( 1702 PWs) bands (ev): 8.6342 8.6342 9.3948 9.3948 9.9044 9.9044 10.0163 10.0163 10.3907 10.3907 10.5781 10.5781 10.8622 10.8622 11.7335 11.7335 11.8172 11.8172 11.9443 11.9443 13.4966 13.4966 14.0699 14.0699 16.1617 16.1617 18.2473 18.2473 18.2757 18.2757 21.2567 21.2567 21.9846 21.9846 k =-0.0279 0.0482 0.9985 ( 1702 PWs) bands (ev): 8.6404 8.6404 9.3953 9.3953 9.8902 9.8902 10.0235 10.0235 10.3710 10.3710 10.5961 10.5961 10.8592 10.8592 11.7170 11.7170 11.8192 11.8192 11.9437 11.9437 13.4999 13.4999 14.0592 14.0592 16.1748 16.1748 18.2523 18.2523 18.2774 18.2774 21.2823 21.2823 21.9806 21.9806 k =-0.0349 0.0603 0.9985 ( 1702 PWs) bands (ev): 8.6483 8.6483 9.3958 9.3958 9.8747 9.8747 10.0291 10.0291 10.3513 10.3513 10.6147 10.6147 10.8554 10.8554 11.6963 11.6963 11.8216 11.8216 11.9430 11.9430 13.5041 13.5041 14.0458 14.0458 16.1915 16.1915 18.2585 18.2585 18.2800 18.2800 21.3140 21.3140 21.9754 21.9754 k =-0.0418 0.0723 0.9985 ( 1698 PWs) bands (ev): 8.6577 8.6577 9.3965 9.3965 9.8582 9.8582 10.0320 10.0320 10.3330 10.3330 10.6332 10.6332 10.8509 10.8509 11.6713 11.6713 11.8241 11.8241 11.9423 11.9423 13.5093 13.5093 14.0299 14.0299 16.2116 16.2116 18.2656 18.2656 18.2835 18.2835 21.3513 21.3513 21.9689 21.9689 k =-0.0488 0.0844 0.9985 ( 1700 PWs) bands (ev): 8.6687 8.6687 9.3973 9.3973 9.8410 9.8410 10.0310 10.0310 10.3174 10.3174 10.6510 10.6510 10.8458 10.8458 11.6425 11.6425 11.8266 11.8266 11.9418 11.9418 13.5153 13.5153 14.0119 14.0119 16.2350 16.2350 18.2729 18.2729 18.2888 18.2888 21.3928 21.3928 21.9605 21.9605 k =-0.0558 0.0964 0.9985 ( 1696 PWs) bands (ev): 8.6810 8.6810 9.3983 9.3983 9.8232 9.8232 10.0255 10.0255 10.3055 10.3055 10.6682 10.6682 10.8402 10.8402 11.6100 11.6100 11.8287 11.8287 11.9418 11.9418 13.5222 13.5222 13.9919 13.9919 16.2614 16.2614 18.2794 18.2794 18.2968 18.2968 21.4373 21.4373 21.9378 21.9378 k =-0.0628 0.1085 0.9985 ( 1700 PWs) bands (ev): 8.6945 8.6945 9.3993 9.3993 9.8048 9.8048 10.0147 10.0147 10.2978 10.2978 10.6845 10.6845 10.8341 10.8341 11.5737 11.5737 11.8302 11.8302 11.9424 11.9424 13.5299 13.5299 13.9703 13.9703 16.2905 16.2905 18.2848 18.2848 18.3078 18.3078 21.4827 21.4827 21.8403 21.8403 k =-0.0697 0.1205 0.9985 ( 1696 PWs) bands (ev): 8.7092 8.7092 9.4005 9.4005 9.7860 9.7860 9.9988 9.9988 10.2947 10.2947 10.6998 10.6998 10.8280 10.8280 11.5345 11.5345 11.8310 11.8310 11.9438 11.9438 13.5384 13.5384 13.9475 13.9475 16.3223 16.3223 18.2897 18.2897 18.3211 18.3211 21.5236 21.5236 21.7269 21.7269 k =-0.0767 0.1326 0.9985 ( 1696 PWs) bands (ev): 8.7248 8.7248 9.4018 9.4018 9.7667 9.7667 9.9781 9.9781 10.2954 10.2954 10.7138 10.7138 10.8219 10.8219 11.4924 11.4924 11.8309 11.8309 11.9462 11.9462 13.5476 13.5476 13.9237 13.9237 16.3565 16.3565 18.2946 18.2946 18.3363 18.3363 21.5275 21.5275 21.6430 21.6430 k =-0.0837 0.1446 0.9985 ( 1690 PWs) bands (ev): 8.7410 8.7410 9.4033 9.4033 9.7471 9.7471 9.9536 9.9536 10.2994 10.2994 10.7265 10.7265 10.8163 10.8163 11.4477 11.4477 11.8299 11.8299 11.9499 11.9499 13.5576 13.5576 13.8992 13.8992 16.3927 16.3927 18.2997 18.2997 18.3531 18.3531 21.4308 21.4308 21.6524 21.6524 k =-0.0837 0.1446 0.9985 ( 1690 PWs) bands (ev): 8.7410 8.7410 9.4033 9.4033 9.7471 9.7471 9.9536 9.9536 10.2994 10.2994 10.7265 10.7265 10.8163 10.8163 11.4477 11.4477 11.8299 11.8299 11.9499 11.9499 13.5576 13.5576 13.8992 13.8992 16.3927 16.3927 18.2997 18.2997 18.3531 18.3531 21.4308 21.4308 21.6524 21.6524 k =-0.0888 0.1534 0.9883 ( 1695 PWs) bands (ev): 8.7535 8.7535 9.4036 9.4036 9.7324 9.7324 9.9335 9.9335 10.3011 10.3011 10.7344 10.7344 10.8146 10.8146 11.4137 11.4137 11.8290 11.8290 11.9526 11.9526 13.5666 13.5666 13.8827 13.8827 16.4155 16.4155 18.3048 18.3048 18.3660 18.3660 21.3288 21.3288 21.6770 21.6770 k =-0.0938 0.1622 0.9782 ( 1697 PWs) bands (ev): 8.7667 8.7667 9.4026 9.4026 9.7174 9.7174 9.9119 9.9119 10.2986 10.2986 10.7420 10.7420 10.8174 10.8174 11.3786 11.3786 11.8289 11.8289 11.9549 11.9549 13.5785 13.5785 13.8691 13.8691 16.4294 16.4294 18.3123 18.3123 18.3790 18.3790 21.2133 21.2133 21.7025 21.7025 k =-0.0989 0.1710 0.9681 ( 1693 PWs) bands (ev): 8.7806 8.7806 9.4005 9.4005 9.7021 9.7021 9.8890 9.8890 10.2906 10.2906 10.7493 10.7493 10.8254 10.8254 11.3428 11.3428 11.8300 11.8300 11.9568 11.9568 13.5934 13.5934 13.8584 13.8584 16.4343 16.4343 18.3218 18.3218 18.3920 18.3920 21.0941 21.0941 21.7262 21.7262 k =-0.1040 0.1797 0.9579 ( 1695 PWs) bands (ev): 8.7949 8.7949 9.3968 9.3968 9.6865 9.6865 9.8651 9.8651 10.2766 10.2766 10.7566 10.7566 10.8385 10.8385 11.3064 11.3064 11.8322 11.8322 11.9582 11.9582 13.6116 13.6116 13.8501 13.8501 16.4301 16.4301 18.3329 18.3329 18.4051 18.4051 20.9759 20.9759 21.7467 21.7467 k =-0.1091 0.1885 0.9478 ( 1695 PWs) bands (ev): 8.8097 8.8097 9.3917 9.3917 9.6706 9.6706 9.8403 9.8403 10.2566 10.2566 10.7641 10.7641 10.8563 10.8563 11.2700 11.2700 11.8357 11.8357 11.9593 11.9593 13.6329 13.6329 13.8442 13.8442 16.4171 16.4171 18.3447 18.3447 18.4182 18.4182 20.8608 20.8608 21.7628 21.7628 k =-0.1141 0.1973 0.9376 ( 1697 PWs) bands (ev): 8.8249 8.8249 9.3853 9.3853 9.6545 9.6545 9.8147 9.8147 10.2311 10.2311 10.7717 10.7717 10.8785 10.8785 11.2340 11.2340 11.8403 11.8403 11.9604 11.9604 13.6574 13.6574 13.8404 13.8404 16.3957 16.3957 18.3565 18.3565 18.4312 18.4312 20.7502 20.7502 21.7740 21.7740 k =-0.1192 0.2061 0.9275 ( 1699 PWs) bands (ev): 8.8404 8.8404 9.3775 9.3775 9.6380 9.6380 9.7885 9.7885 10.2006 10.2006 10.7791 10.7791 10.9041 10.9041 11.1990 11.1990 11.8460 11.8460 11.9618 11.9618 13.6852 13.6852 13.8386 13.8386 16.3662 16.3662 18.3674 18.3674 18.4441 18.4441 20.6447 20.6447 21.7797 21.7797 k =-0.1243 0.2148 0.9174 ( 1695 PWs) bands (ev): 8.8561 8.8561 9.3684 9.3684 9.6215 9.6215 9.7619 9.7619 10.1660 10.1660 10.7858 10.7858 10.9327 10.9327 11.1661 11.1661 11.8522 11.8522 11.9639 11.9639 13.7161 13.7161 13.8386 13.8386 16.3293 16.3293 18.3767 18.3767 18.4569 18.4569 20.5447 20.5447 21.7795 21.7795 k =-0.1294 0.2236 0.9072 ( 1696 PWs) bands (ev): 8.8718 8.8718 9.3581 9.3581 9.6045 9.6045 9.7350 9.7350 10.1280 10.1280 10.7907 10.7907 10.9631 10.9631 11.1365 11.1365 11.8586 11.8586 11.9671 11.9671 13.7498 13.7498 13.8404 13.8404 16.2857 16.2857 18.3836 18.3836 18.4695 18.4695 20.4502 20.4502 21.7733 21.7733 k =-0.1344 0.2324 0.8971 ( 1694 PWs) bands (ev): 8.8875 8.8875 9.3465 9.3465 9.5873 9.5873 9.7080 9.7080 10.0874 10.0874 10.7929 10.7929 10.9940 10.9940 11.1128 11.1128 11.8648 11.8648 11.9720 11.9720 13.7853 13.7853 13.8448 13.8448 16.2359 16.2359 18.3874 18.3874 18.4819 18.4819 20.3614 20.3614 21.7609 21.7609 k =-0.1395 0.2412 0.8869 ( 1696 PWs) bands (ev): 8.9029 8.9029 9.3338 9.3338 9.5695 9.5695 9.6811 9.6811 10.0450 10.0450 10.7904 10.7904 11.0217 11.0217 11.0997 11.0997 11.8700 11.8700 11.9790 11.9790 13.8180 13.8180 13.8563 13.8563 16.1807 16.1807 18.3876 18.3876 18.4940 18.4940 20.2779 20.2779 21.7424 21.7424 k =-0.1446 0.2499 0.8768 ( 1699 PWs) bands (ev): 8.9181 8.9181 9.3198 9.3198 9.5513 9.5513 9.6545 9.6545 10.0013 10.0013 10.7819 10.7819 11.0384 11.0384 11.1063 11.1063 11.8741 11.8741 11.9883 11.9883 13.8362 13.8362 13.8862 13.8862 16.1207 16.1207 18.3839 18.3839 18.5058 18.5058 20.1994 20.1994 21.7181 21.7181 k =-0.1497 0.2587 0.8667 ( 1697 PWs) bands (ev): 8.9327 8.9327 9.3048 9.3048 9.5324 9.5324 9.6286 9.6286 9.9573 9.9573 10.7665 10.7665 11.0450 11.0450 11.1325 11.1325 11.8769 11.8769 12.0001 12.0001 13.8446 13.8446 13.9296 13.9296 16.0565 16.0565 18.3761 18.3761 18.5175 18.5175 20.1255 20.1255 21.6881 21.6881 k =-0.1548 0.2675 0.8565 ( 1699 PWs) bands (ev): 8.9468 8.9468 9.2886 9.2886 9.5127 9.5127 9.6035 9.6035 9.9134 9.9134 10.7445 10.7445 11.0520 11.0520 11.1672 11.1672 11.8785 11.8785 12.0140 12.0140 13.8511 13.8511 13.9785 13.9785 15.9888 15.9888 18.3642 18.3642 18.5290 18.5290 20.0556 20.0556 21.6528 21.6528 k =-0.1598 0.2763 0.8464 ( 1702 PWs) bands (ev): 8.9598 8.9598 9.2714 9.2714 9.4919 9.4919 9.5794 9.5794 9.8703 9.8703 10.7173 10.7173 11.0634 11.0634 11.2052 11.2052 11.8791 11.8791 12.0297 12.0297 13.8571 13.8571 14.0308 14.0308 15.9181 15.9181 18.3482 18.3482 18.5403 18.5403 19.9891 19.9891 21.6128 21.6128 k =-0.1649 0.2850 0.8363 ( 1704 PWs) bands (ev): 8.9718 8.9718 9.2535 9.2535 9.4698 9.4698 9.5565 9.5565 9.8288 9.8288 10.6862 10.6862 11.0793 11.0793 11.2445 11.2445 11.8790 11.8790 12.0469 12.0469 13.8633 13.8633 14.0862 14.0862 15.8451 15.8451 18.3286 18.3286 18.5514 18.5514 19.9253 19.9253 21.5685 21.5685 k =-0.1700 0.2938 0.8261 ( 1704 PWs) bands (ev): 8.9822 8.9822 9.2351 9.2351 9.4466 9.4466 9.5351 9.5351 9.7893 9.7893 10.6526 10.6526 11.0991 11.0991 11.2844 11.2844 11.8784 11.8784 12.0652 12.0652 13.8696 13.8696 14.1441 14.1441 15.7702 15.7702 18.3057 18.3057 18.5625 18.5625 19.8636 19.8636 21.5204 21.5204 k =-0.1751 0.3026 0.8160 ( 1698 PWs) bands (ev): 8.9908 8.9908 9.2166 9.2166 9.4221 9.4221 9.5149 9.5149 9.7524 9.7524 10.6174 10.6174 11.1221 11.1221 11.3248 11.3248 11.8776 11.8776 12.0843 12.0843 13.8760 13.8760 14.2043 14.2043 15.6940 15.6940 18.2799 18.2799 18.5734 18.5734 19.8033 19.8033 21.4691 21.4691 k =-0.1801 0.3114 0.8058 ( 1698 PWs) bands (ev): 8.9968 8.9968 9.1984 9.1984 9.3964 9.3964 9.4961 9.4961 9.7184 9.7184 10.5815 10.5815 11.1475 11.1475 11.3649 11.3649 11.8766 11.8766 12.1037 12.1037 13.8825 13.8825 14.2667 14.2667 15.6170 15.6170 18.2518 18.2518 18.5842 18.5842 19.7439 19.7439 21.4152 21.4152 k =-0.1852 0.3202 0.7957 ( 1698 PWs) bands (ev): 8.9997 8.9997 9.1812 9.1812 9.3698 9.3698 9.4785 9.4785 9.6877 9.6877 10.5454 10.5454 11.1749 11.1749 11.4048 11.4048 11.8757 11.8757 12.1232 12.1232 13.8891 13.8891 14.3308 14.3308 15.5396 15.5396 18.2220 18.2220 18.5949 18.5949 19.6849 19.6849 21.3592 21.3592 k =-0.1903 0.3289 0.7856 ( 1698 PWs) bands (ev): 8.9987 8.9987 9.1653 9.1653 9.3429 9.3429 9.4622 9.4622 9.6601 9.6601 10.5093 10.5093 11.2041 11.2041 11.4440 11.4440 11.8750 11.8750 12.1427 12.1427 13.8958 13.8958 14.3963 14.3963 15.4623 15.4623 18.1908 18.1908 18.6055 18.6055 19.6260 19.6260 21.3017 21.3017 k =-0.1954 0.3377 0.7754 ( 1698 PWs) bands (ev): 8.9934 8.9934 9.1511 9.1511 9.3165 9.3165 9.4471 9.4471 9.6359 9.6359 10.4736 10.4736 11.2346 11.2346 11.4825 11.4825 11.8747 11.8747 12.1617 12.1617 13.9025 13.9025 14.4631 14.4631 15.3856 15.3856 18.1588 18.1588 18.6159 18.6159 19.5669 19.5669 21.2431 21.2431 k =-0.2004 0.3465 0.7653 ( 1692 PWs) bands (ev): 8.9838 8.9838 9.1379 9.1379 9.2918 9.2918 9.4331 9.4331 9.6146 9.6146 10.4388 10.4388 11.2662 11.2662 11.5199 11.5199 11.8751 11.8751 12.1803 12.1803 13.9092 13.9092 14.5306 14.5306 15.3099 15.3099 18.1264 18.1264 18.6263 18.6263 19.5074 19.5074 21.1841 21.1841 k =-0.2055 0.3553 0.7551 ( 1692 PWs) bands (ev): 8.9704 8.9704 9.1243 9.1243 9.2702 9.2702 9.4202 9.4202 9.5961 9.5961 10.4047 10.4047 11.2987 11.2987 11.5559 11.5559 11.8761 11.8761 12.1981 12.1981 13.9158 13.9158 14.5982 14.5982 15.2359 15.2359 18.0940 18.0940 18.6365 18.6365 19.4475 19.4475 21.1251 21.1251 k =-0.2106 0.3640 0.7450 ( 1694 PWs) bands (ev): 8.9542 8.9542 9.1088 9.1088 9.2529 9.2529 9.4084 9.4084 9.5799 9.5799 10.3718 10.3718 11.3317 11.3317 11.5902 11.5902 11.8780 11.8780 12.2149 12.2149 13.9224 13.9224 14.6654 14.6654 15.1642 15.1642 18.0621 18.0621 18.6466 18.6466 19.3872 19.3872 21.0665 21.0665 k =-0.2157 0.3728 0.7349 ( 1686 PWs) bands (ev): 8.9362 8.9362 9.0904 9.0904 9.2407 9.2407 9.3976 9.3976 9.5660 9.5660 10.3403 10.3403 11.3651 11.3651 11.6226 11.6226 11.8813 11.8813 12.2309 12.2309 13.9290 13.9290 14.7306 14.7306 15.0963 15.0963 18.0309 18.0309 18.6566 18.6566 19.3267 19.3267 21.0088 21.0088 k =-0.2208 0.3816 0.7247 ( 1684 PWs) bands (ev): 8.9170 8.9170 9.0692 9.0692 9.2331 9.2331 9.3876 9.3876 9.5538 9.5538 10.3102 10.3102 11.3985 11.3985 11.6524 11.6524 11.8860 11.8860 12.2457 12.2457 13.9354 13.9354 14.7906 14.7906 15.0354 15.0354 18.0007 18.0007 18.6664 18.6664 19.2662 19.2662 20.9524 20.9524 k =-0.2258 0.3904 0.7146 ( 1686 PWs) bands (ev): 8.8976 8.8976 9.0461 9.0461 9.2291 9.2291 9.3786 9.3786 9.5432 9.5432 10.2815 10.2815 11.4317 11.4317 11.6790 11.6790 11.8926 11.8926 12.2590 12.2590 13.9417 13.9417 14.8337 14.8337 14.9929 14.9929 17.9718 17.9718 18.6759 18.6759 19.2061 19.2061 20.8977 20.8977 k =-0.2309 0.3991 0.7044 ( 1689 PWs) bands (ev): 8.8783 8.8783 9.0221 9.0221 9.2274 9.2274 9.3703 9.3703 9.5340 9.5340 10.2545 10.2545 11.4643 11.4643 11.7022 11.7022 11.9014 11.9014 12.2711 12.2711 13.9477 13.9477 14.8321 14.8321 14.9967 14.9967 17.9444 17.9444 18.6852 18.6852 19.1468 19.1468 20.8451 20.8451 k =-0.2360 0.4079 0.6943 ( 1687 PWs) bands (ev): 8.8597 8.8597 8.9984 8.9984 9.2273 9.2273 9.3629 9.3629 9.5260 9.5260 10.2293 10.2293 11.4962 11.4962 11.7218 11.7218 11.9125 11.9125 12.2819 12.2819 13.9536 13.9536 14.7923 14.7923 15.0400 15.0400 17.9188 17.9188 18.6941 18.6941 19.0887 19.0887 20.7950 20.7950 k =-0.2411 0.4167 0.6842 ( 1685 PWs) bands (ev): 8.8419 8.8419 8.9754 8.9754 9.2281 9.2281 9.3563 9.3563 9.5192 9.5192 10.2060 10.2060 11.5270 11.5270 11.7378 11.7378 11.9256 11.9256 12.2913 12.2913 13.9591 13.9591 14.7426 14.7426 15.0943 15.0943 17.8950 17.8950 18.7025 18.7025 19.0325 19.0325 20.7478 20.7478 k =-0.2461 0.4255 0.6740 ( 1684 PWs) bands (ev): 8.8253 8.8253 8.9536 8.9536 9.2293 9.2293 9.3503 9.3503 9.5133 9.5133 10.1848 10.1848 11.5562 11.5562 11.7504 11.7504 11.9404 11.9404 12.2994 12.2994 13.9642 13.9642 14.6928 14.6928 15.1497 15.1497 17.8733 17.8733 18.7103 18.7103 18.9788 18.9788 20.7038 20.7038 k =-0.2512 0.4342 0.6639 ( 1686 PWs) bands (ev): 8.8100 8.8100 8.9336 8.9336 9.2306 9.2306 9.3450 9.3450 9.5083 9.5083 10.1655 10.1655 11.5834 11.5834 11.7602 11.7602 11.9559 11.9559 12.3061 12.3061 13.9689 13.9689 14.6457 14.6457 15.2030 15.2030 17.8537 17.8537 18.7172 18.7172 18.9285 18.9285 20.6633 20.6633 k =-0.2563 0.4430 0.6538 ( 1684 PWs) bands (ev): 8.7962 8.7962 8.9154 8.9154 9.2321 9.2321 9.3405 9.3405 9.5041 9.5041 10.1483 10.1483 11.6084 11.6084 11.7680 11.7680 11.9715 11.9715 12.3117 12.3117 13.9732 13.9732 14.6024 14.6024 15.2528 15.2528 17.8364 17.8364 18.7228 18.7228 18.8825 18.8825 20.6267 20.6267 k =-0.2614 0.4518 0.6436 ( 1686 PWs) bands (ev): 8.7840 8.7840 8.8994 8.8994 9.2334 9.2334 9.3366 9.3366 9.5005 9.5005 10.1333 10.1333 11.6306 11.6306 11.7742 11.7742 11.9863 11.9863 12.3161 12.3161 13.9770 13.9770 14.5638 14.5638 15.2980 15.2980 17.8213 17.8213 18.7264 18.7264 18.8422 18.8422 20.5942 20.5942 k =-0.2665 0.4606 0.6335 ( 1688 PWs) bands (ev): 8.7735 8.7735 8.8856 8.8856 9.2345 9.2345 9.3332 9.3332 9.4976 9.4976 10.1206 10.1206 11.6498 11.6498 11.7793 11.7793 11.9999 11.9999 12.3196 12.3196 13.9803 13.9803 14.5303 14.5303 15.3378 15.3378 17.8086 17.8086 18.7264 18.7264 18.8098 18.8098 20.5662 20.5662 k =-0.2715 0.4693 0.6233 ( 1688 PWs) bands (ev): 8.7649 8.7649 8.8742 8.8742 9.2355 9.2355 9.3305 9.3305 9.4953 9.4953 10.1101 10.1101 11.6656 11.6656 11.7835 11.7835 12.0116 12.0116 12.3221 12.3221 13.9830 13.9830 14.5024 14.5024 15.3714 15.3714 17.7983 17.7983 18.7206 18.7206 18.7881 18.7881 20.5429 20.5429 k =-0.2766 0.4781 0.6132 ( 1688 PWs) bands (ev): 8.7580 8.7580 8.8653 8.8653 9.2362 9.2362 9.3284 9.3284 9.4937 9.4937 10.1018 10.1018 11.6779 11.6779 11.7870 11.7870 12.0211 12.0211 12.3240 12.3240 13.9851 13.9851 14.4803 14.4803 15.3983 15.3983 17.7902 17.7902 18.7091 18.7091 18.7775 18.7775 20.5246 20.5246 k =-0.2817 0.4869 0.6031 ( 1690 PWs) bands (ev): 8.7531 8.7531 8.8588 8.8588 9.2368 9.2368 9.3268 9.3268 9.4924 9.4924 10.0959 10.0959 11.6866 11.6866 11.7896 11.7896 12.0281 12.0281 12.3252 12.3252 13.9867 13.9867 14.4644 14.4644 15.4179 15.4179 17.7845 17.7845 18.6968 18.6968 18.7737 18.7737 20.5113 20.5113 k =-0.2868 0.4957 0.5929 ( 1691 PWs) bands (ev): 8.7501 8.7501 8.8550 8.8550 9.2371 9.2371 9.3259 9.3259 9.4918 9.4918 10.0924 10.0924 11.6918 11.6918 11.7913 11.7913 12.0324 12.0324 12.3259 12.3259 13.9876 13.9876 14.4547 14.4547 15.4298 15.4298 17.7811 17.7811 18.6880 18.6880 18.7726 18.7726 20.5033 20.5033 k =-0.2918 0.5044 0.5828 ( 1691 PWs) bands (ev): 8.7492 8.7492 8.8537 8.8537 9.2373 9.2373 9.3256 9.3256 9.4915 9.4915 10.0912 10.0912 11.6935 11.6935 11.7919 11.7919 12.0338 12.0338 12.3261 12.3261 13.9879 13.9879 14.4515 14.4515 15.4338 15.4338 17.7799 17.7799 18.6849 18.6849 18.7724 18.7724 20.5006 20.5006 k =-0.2918 0.5044 0.5828 ( 1691 PWs) bands (ev): 8.7492 8.7492 8.8537 8.8537 9.2373 9.2373 9.3256 9.3256 9.4915 9.4915 10.0912 10.0912 11.6935 11.6935 11.7919 11.7919 12.0338 12.0338 12.3261 12.3261 13.9879 13.9879 14.4515 14.4515 15.4338 15.4338 17.7799 17.7799 18.6849 18.6849 18.7724 18.7724 20.5006 20.5006 k =-0.2867 0.4956 0.5726 ( 1689 PWs) bands (ev): 8.7486 8.7486 8.8478 8.8478 9.2580 9.2580 9.3298 9.3298 9.4987 9.4987 10.1381 10.1381 11.6617 11.6617 11.7730 11.7730 12.0068 12.0068 12.3246 12.3246 14.0688 14.0688 14.3140 14.3140 15.5374 15.5374 17.7282 17.7282 18.7068 18.7068 18.7905 18.7905 20.5181 20.5181 k =-0.2816 0.4867 0.5623 ( 1693 PWs) bands (ev): 8.7490 8.7490 8.8430 8.8430 9.2775 9.2775 9.3360 9.3360 9.5079 9.5079 10.1840 10.1840 11.6280 11.6280 11.7524 11.7524 11.9780 11.9780 12.3222 12.3222 14.1027 14.1027 14.2149 14.2149 15.6481 15.6481 17.6756 17.6756 18.7322 18.7322 18.8135 18.8135 20.5332 20.5332 k =-0.2765 0.4779 0.5521 ( 1691 PWs) bands (ev): 8.7506 8.7506 8.8393 8.8393 9.2952 9.2952 9.3447 9.3447 9.5192 9.5192 10.2290 10.2290 11.5929 11.5929 11.7301 11.7301 11.9478 11.9478 12.3189 12.3189 13.9791 13.9791 14.2695 14.2695 15.7609 15.7609 17.6223 17.6223 18.7609 18.7609 18.8415 18.8415 20.5455 20.5455 k =-0.2714 0.4690 0.5419 ( 1691 PWs) bands (ev): 8.7533 8.7533 8.8368 8.8368 9.3111 9.3111 9.3558 9.3558 9.5322 9.5322 10.2724 10.2724 11.5565 11.5565 11.7060 11.7060 11.9164 11.9164 12.3148 12.3148 13.8249 13.8249 14.3533 14.3533 15.8730 15.8730 17.5685 17.5685 18.7929 18.7929 18.8747 18.8747 20.5548 20.5548 k =-0.2662 0.4602 0.5317 ( 1691 PWs) bands (ev): 8.7573 8.7573 8.8354 8.8354 9.3255 9.3255 9.3693 9.3693 9.5467 9.5467 10.3144 10.3144 11.5192 11.5192 11.6798 11.6798 11.8839 11.8839 12.3098 12.3098 13.6675 13.6675 14.4399 14.4399 15.9825 15.9825 17.5145 17.5145 18.8278 18.8278 18.9132 18.9132 20.5609 20.5609 k =-0.2611 0.4513 0.5214 ( 1687 PWs) bands (ev): 8.7626 8.7626 8.8354 8.8354 9.3390 9.3390 9.3842 9.3842 9.5624 9.5624 10.3545 10.3545 11.4812 11.4812 11.6519 11.6519 11.8507 11.8507 12.3041 12.3041 13.5104 13.5104 14.5267 14.5267 16.0880 16.0880 17.4606 17.4606 18.8655 18.8655 18.9575 18.9575 20.5636 20.5636 k =-0.2560 0.4425 0.5112 ( 1687 PWs) bands (ev): 8.7692 8.7692 8.8365 8.8365 9.3524 9.3524 9.4002 9.4002 9.5789 9.5789 10.3927 10.3927 11.4425 11.4425 11.6219 11.6219 11.8169 11.8169 12.2974 12.2974 13.3549 13.3549 14.6130 14.6130 16.1881 16.1881 17.4075 17.4075 18.9054 18.9054 19.0079 19.0079 20.5626 20.5626 k =-0.2509 0.4336 0.5010 ( 1687 PWs) bands (ev): 8.7771 8.7771 8.8388 8.8388 9.3660 9.3660 9.4169 9.4169 9.5958 9.5958 10.4286 10.4286 11.4032 11.4032 11.5899 11.5899 11.7829 11.7829 12.2901 12.2901 13.2020 13.2020 14.6982 14.6982 16.2815 16.2815 17.3559 17.3559 18.9472 18.9472 19.0647 19.0647 20.5578 20.5578 k =-0.2458 0.4248 0.4908 ( 1683 PWs) bands (ev): 8.7864 8.7864 8.8424 8.8424 9.3804 9.3804 9.4340 9.4340 9.6126 9.6126 10.4624 10.4624 11.3638 11.3638 11.5561 11.5561 11.7487 11.7487 12.2820 12.2820 13.0525 13.0525 14.7821 14.7821 16.3665 16.3665 17.3070 17.3070 18.9907 18.9907 19.1280 19.1280 20.5488 20.5488 k =-0.2406 0.4159 0.4805 ( 1691 PWs) bands (ev): 8.7969 8.7969 8.8470 8.8470 9.3954 9.3954 9.4513 9.4513 9.6289 9.6289 10.4934 10.4934 11.3241 11.3241 11.5201 11.5201 11.7145 11.7145 12.2731 12.2731 12.9068 12.9068 14.8643 14.8643 16.4410 16.4410 17.2623 17.2623 19.0356 19.0356 19.1980 19.1980 20.5356 20.5356 k =-0.2355 0.4071 0.4703 ( 1691 PWs) bands (ev): 8.8088 8.8088 8.8529 8.8529 9.4112 9.4112 9.4688 9.4688 9.6445 9.6445 10.5218 10.5218 11.2843 11.2843 11.4825 11.4825 11.6804 11.6804 12.2638 12.2638 12.7657 12.7657 14.9449 14.9449 16.5024 16.5024 17.2242 17.2242 19.0817 19.0817 19.2747 19.2747 20.5181 20.5181 k =-0.2304 0.3982 0.4601 ( 1689 PWs) bands (ev): 8.8221 8.8221 8.8598 8.8598 9.4278 9.4278 9.4863 9.4863 9.6592 9.6592 10.5474 10.5474 11.2447 11.2447 11.4433 11.4433 11.6466 11.6466 12.2540 12.2540 12.6298 12.6298 15.0236 15.0236 16.5477 16.5477 17.1955 17.1955 19.1290 19.1290 19.3580 19.3580 20.4960 20.4960 k =-0.2253 0.3894 0.4499 ( 1689 PWs) bands (ev): 8.8366 8.8366 8.8677 8.8677 9.4449 9.4449 9.5035 9.5035 9.6729 9.6729 10.5701 10.5701 11.2051 11.2051 11.4026 11.4026 11.6129 11.6129 12.2436 12.2436 12.4997 12.4997 15.1004 15.1004 16.5738 16.5738 17.1788 17.1788 19.1773 19.1773 19.4476 19.4476 20.4694 20.4694 k =-0.2202 0.3805 0.4396 ( 1693 PWs) bands (ev): 8.8523 8.8523 8.8765 8.8765 9.4624 9.4624 9.5198 9.5198 9.6857 9.6857 10.5896 10.5896 11.1658 11.1658 11.3607 11.3607 11.5792 11.5792 12.2328 12.2328 12.3763 12.3763 15.1753 15.1753 16.5794 16.5794 17.1755 17.1755 19.2265 19.2265 19.5435 19.5435 20.4382 20.4382 k =-0.2150 0.3717 0.4294 ( 1693 PWs) bands (ev): 8.8692 8.8692 8.8864 8.8864 9.4799 9.4799 9.5348 9.5348 9.6980 9.6980 10.6058 10.6058 11.1270 11.1270 11.3178 11.3178 11.5458 11.5458 12.2213 12.2213 12.2603 12.2603 15.2484 15.2484 16.5656 16.5656 17.1842 17.1842 19.2765 19.2765 19.6452 19.6452 20.4023 20.4023 k =-0.2099 0.3628 0.4192 ( 1691 PWs) bands (ev): 8.8873 8.8873 8.8972 8.8972 9.4965 9.4965 9.5479 9.5479 9.7106 9.7106 10.6185 10.6185 11.0890 11.0890 11.2742 11.2742 11.5125 11.5125 12.1505 12.1505 12.2111 12.2111 15.3197 15.3197 16.5358 16.5358 17.2016 17.2016 19.3272 19.3272 19.7526 19.7526 20.3618 20.3618 k =-0.2048 0.3540 0.4090 ( 1699 PWs) bands (ev): 8.9062 8.9062 8.9087 8.9087 9.5105 9.5105 9.5592 9.5592 9.7243 9.7243 10.6273 10.6273 11.0520 11.0520 11.2299 11.2299 11.4792 11.4792 12.0500 12.0500 12.1993 12.1993 15.3893 15.3893 16.4941 16.4941 17.2236 17.2236 19.3785 19.3785 19.8652 19.8652 20.3166 20.3166 k =-0.1997 0.3451 0.3987 ( 1703 PWs) bands (ev): 8.9209 8.9209 8.9261 8.9261 9.5186 9.5186 9.5708 9.5708 9.7402 9.7402 10.6324 10.6324 11.0165 11.0165 11.1854 11.1854 11.4461 11.4461 11.9580 11.9580 12.1876 12.1876 15.4575 15.4575 16.4439 16.4439 17.2469 17.2469 19.4302 19.4302 19.9826 19.9826 20.2671 20.2671 k =-0.1946 0.3363 0.3885 ( 1697 PWs) bands (ev): 8.9338 8.9338 8.9467 8.9467 9.5171 9.5171 9.5851 9.5851 9.7589 9.7589 10.6334 10.6334 10.9831 10.9831 11.1412 11.1412 11.4134 11.4134 11.8747 11.8747 12.1761 12.1761 15.5243 15.5243 16.3878 16.3878 17.2691 17.2691 19.4823 19.4823 20.1040 20.1040 20.2134 20.2134 k =-0.1894 0.3274 0.3783 ( 1693 PWs) bands (ev): 8.9473 8.9473 8.9678 8.9678 9.5054 9.5054 9.6024 9.6024 9.7804 9.7804 10.6302 10.6302 10.9522 10.9522 11.0971 11.0971 11.3812 11.3812 11.7998 11.7998 12.1646 12.1646 15.5900 15.5900 16.3276 16.3276 17.2889 17.2889 19.5347 19.5347 20.1533 20.1533 20.2314 20.2314 k =-0.1843 0.3186 0.3681 ( 1693 PWs) bands (ev): 8.9613 8.9613 8.9888 8.9888 9.4850 9.4850 9.6212 9.6212 9.8044 9.8044 10.6227 10.6227 10.9238 10.9238 11.0537 11.0537 11.3499 11.3499 11.7331 11.7331 12.1532 12.1532 15.6547 15.6547 16.2644 16.2644 17.3054 17.3054 19.5872 19.5872 20.0916 20.0916 20.3595 20.3595 k =-0.1792 0.3097 0.3578 ( 1693 PWs) bands (ev): 8.9756 8.9756 9.0091 9.0091 9.4575 9.4575 9.6408 9.6408 9.8305 9.8305 10.6113 10.6113 10.8978 10.8978 11.0118 11.0118 11.3199 11.3199 11.6737 11.6737 12.1421 12.1421 15.7185 15.7185 16.1991 16.1991 17.3182 17.3182 19.6398 19.6398 20.0254 20.0254 20.4908 20.4908 k =-0.1741 0.3009 0.3476 ( 1687 PWs) bands (ev): 8.9902 8.9902 9.0278 9.0278 9.4249 9.4249 9.6605 9.6605 9.8582 9.8582 10.5965 10.5965 10.8734 10.8734 10.9729 10.9729 11.2914 11.2914 11.6211 11.6211 12.1313 12.1313 15.7817 15.7817 16.1324 16.1324 17.3271 17.3271 19.6924 19.6924 19.9555 19.9555 20.6241 20.6241 k =-0.1690 0.2920 0.3374 ( 1687 PWs) bands (ev): 9.0049 9.0049 9.0427 9.0427 9.3899 9.3899 9.6800 9.6800 9.8872 9.8872 10.5788 10.5788 10.8483 10.8483 10.9385 10.9385 11.2648 11.2648 11.5741 11.5741 12.1209 12.1209 15.8442 15.8442 16.0649 16.0649 17.3322 17.3322 19.7448 19.7448 19.8822 19.8822 20.7586 20.7586 k =-0.1638 0.2832 0.3272 ( 1687 PWs) bands (ev): 9.0194 9.0194 9.0508 9.0508 9.3566 9.3566 9.6989 9.6989 9.9171 9.9171 10.5591 10.5591 10.8207 10.8207 10.9110 10.9110 11.2401 11.2401 11.5321 11.5321 12.1109 12.1109 15.9048 15.9048 15.9984 15.9984 17.3337 17.3337 19.7970 19.7970 19.8056 19.8056 20.8933 20.8933 k =-0.1587 0.2743 0.3170 ( 1691 PWs) bands (ev): 9.0321 9.0321 9.0486 9.0486 9.3309 9.3309 9.7172 9.7172 9.9474 9.9474 10.5381 10.5381 10.7897 10.7897 10.8907 10.8907 11.2173 11.2173 11.4941 11.4941 12.1013 12.1013 15.9188 15.9188 15.9780 15.9780 17.3318 17.3318 19.7262 19.7262 19.8489 19.8489 21.0275 21.0275 k =-0.1536 0.2655 0.3067 ( 1699 PWs) bands (ev): 9.0220 9.0220 9.0521 9.0521 9.3183 9.3183 9.7345 9.7345 9.9779 9.9779 10.5163 10.5163 10.7567 10.7567 10.8764 10.8764 11.1963 11.1963 11.4596 11.4596 12.0924 12.0924 15.8540 15.8540 16.0363 16.0363 17.3269 17.3269 19.6442 19.6442 19.9003 19.9003 21.1602 21.1602 k =-0.1485 0.2566 0.2965 ( 1703 PWs) bands (ev): 8.9845 8.9845 9.0653 9.0653 9.3203 9.3203 9.7508 9.7508 10.0081 10.0081 10.4944 10.4944 10.7234 10.7234 10.8664 10.8664 11.1773 11.1773 11.4282 11.4282 12.0843 12.0843 15.7854 15.7854 16.0987 16.0987 17.3194 17.3194 19.5600 19.5600 19.9514 19.9514 21.2902 21.2902 k =-0.1434 0.2478 0.2863 ( 1695 PWs) bands (ev): 8.9326 8.9326 9.0792 9.0792 9.3339 9.3339 9.7659 9.7659 10.0376 10.0376 10.4729 10.4729 10.6913 10.6913 10.8594 10.8594 11.1598 11.1598 11.3995 11.3995 12.0773 12.0773 15.7167 15.7167 16.1620 16.1620 17.3096 17.3096 19.4739 19.4739 20.0019 20.0019 21.4167 21.4167 k =-0.1382 0.2389 0.2761 ( 1695 PWs) bands (ev): 8.8716 8.8716 9.0926 9.0926 9.3551 9.3551 9.7797 9.7797 10.0654 10.0654 10.4523 10.4523 10.6610 10.6610 10.8544 10.8544 11.1437 11.1437 11.3732 11.3732 12.0711 12.0711 15.6481 15.6481 16.2259 16.2259 17.2978 17.2978 19.3862 19.3862 20.0517 20.0517 21.5382 21.5382 k =-0.1331 0.2301 0.2658 ( 1695 PWs) bands (ev): 8.8051 8.8051 9.1054 9.1054 9.3810 9.3810 9.7920 9.7920 10.0909 10.0909 10.4336 10.4336 10.6329 10.6329 10.8511 10.8511 11.1286 11.1286 11.3491 11.3491 12.0658 12.0658 15.5801 15.5801 16.2903 16.2903 17.2844 17.2844 19.2972 19.2972 20.1007 20.1007 21.6537 21.6537 k =-0.1280 0.2212 0.2556 ( 1699 PWs) bands (ev): 8.7353 8.7353 9.1174 9.1174 9.4100 9.4100 9.8029 9.8029 10.1129 10.1129 10.4178 10.4178 10.6071 10.6071 10.8491 10.8491 11.1143 11.1143 11.3270 11.3270 12.0615 12.0615 15.5129 15.5129 16.3554 16.3554 17.2697 17.2697 19.2073 19.2073 20.1490 20.1490 21.7618 21.7618 k =-0.1229 0.2124 0.2454 ( 1701 PWs) bands (ev): 8.6640 8.6640 9.1285 9.1285 9.4409 9.4409 9.8122 9.8122 10.1301 10.1301 10.4064 10.4064 10.5837 10.5837 10.8484 10.8484 11.1006 11.1006 11.3069 11.3069 12.0585 12.0585 15.4465 15.4465 16.4211 16.4211 17.2540 17.2540 19.1168 19.1168 20.1964 20.1964 21.8614 21.8614 k =-0.1178 0.2035 0.2352 ( 1699 PWs) bands (ev): 8.5921 8.5921 9.1387 9.1387 9.4732 9.4732 9.8202 9.8202 10.1413 10.1413 10.4005 10.4005 10.5628 10.5628 10.8488 10.8488 11.0873 11.0873 11.2889 11.2889 12.0569 12.0569 15.3812 15.3812 16.4873 16.4873 17.2376 17.2376 19.0262 19.0262 20.2427 20.2427 21.9512 21.9512 k =-0.1126 0.1947 0.2249 ( 1687 PWs) bands (ev): 8.5205 8.5205 9.1478 9.1478 9.5063 9.5063 9.8269 9.8269 10.1459 10.1459 10.4006 10.4006 10.5446 10.5446 10.8502 10.8502 11.0747 11.0747 11.2729 11.2729 12.0565 12.0565 15.3172 15.3172 16.5542 16.5542 17.2209 17.2209 18.9356 18.9356 20.2881 20.2881 22.0301 22.0301 k =-0.1075 0.1858 0.2147 ( 1697 PWs) bands (ev): 8.4498 8.4498 9.1555 9.1555 9.5396 9.5396 9.8321 9.8321 10.1440 10.1440 10.4053 10.4053 10.5296 10.5296 10.8525 10.8525 11.0616 11.0616 11.2580 11.2580 12.0574 12.0574 15.2545 15.2545 16.6214 16.6214 17.2038 17.2038 18.8456 18.8456 20.3322 20.3322 22.0973 22.0973 k =-0.1024 0.1770 0.2045 ( 1697 PWs) bands (ev): 8.3805 8.3805 9.1619 9.1619 9.5729 9.5729 9.8364 9.8364 10.1377 10.1377 10.4120 10.4120 10.5191 10.5191 10.8555 10.8555 11.0488 11.0488 11.2450 11.2450 12.0599 12.0599 15.1934 15.1934 16.6890 16.6890 17.1868 17.1868 18.7564 18.7564 20.3752 20.3752 22.1522 22.1522 k =-0.0973 0.1681 0.1943 ( 1695 PWs) bands (ev): 8.3130 8.3130 9.1670 9.1670 9.6058 9.6058 9.8398 9.8398 10.1287 10.1287 10.4168 10.4168 10.5154 10.5154 10.8592 10.8592 11.0360 11.0360 11.2334 11.2334 12.0638 12.0638 15.1341 15.1341 16.7567 16.7567 17.1700 17.1700 18.6685 18.6685 20.4168 20.4168 22.1944 22.1944 k =-0.0922 0.1593 0.1840 ( 1693 PWs) bands (ev): 8.2476 8.2476 9.1707 9.1707 9.6378 9.6378 9.8427 9.8427 10.1182 10.1182 10.4163 10.4163 10.5200 10.5200 10.8634 10.8634 11.0237 11.0237 11.2229 11.2229 12.0691 12.0691 15.0766 15.0766 16.8244 16.8244 17.1537 17.1537 18.5822 18.5822 20.4570 20.4570 22.2240 22.2240 k =-0.0870 0.1504 0.1738 ( 1693 PWs) bands (ev): 8.1846 8.1846 9.1729 9.1729 9.6684 9.6684 9.8456 9.8456 10.1076 10.1076 10.4106 10.4106 10.5317 10.5317 10.8677 10.8677 11.0119 11.0119 11.2132 11.2132 12.0758 12.0758 15.0211 15.0211 16.8917 16.8917 17.1381 17.1381 18.4978 18.4978 20.4958 20.4958 22.2412 22.2412 k =-0.0819 0.1416 0.1636 ( 1689 PWs) bands (ev): 8.1243 8.1243 9.1739 9.1739 9.6969 9.6969 9.8490 9.8490 10.0975 10.0975 10.4018 10.4018 10.5478 10.5478 10.8721 10.8721 11.0009 11.0009 11.2043 11.2043 12.0841 12.0841 14.9678 14.9678 16.9579 16.9579 17.1236 17.1236 18.4158 18.4158 20.5330 20.5330 22.2469 22.2469 k =-0.0768 0.1327 0.1534 ( 1687 PWs) bands (ev): 8.0669 8.0669 9.1735 9.1735 9.7221 9.7221 9.8538 9.8538 10.0885 10.0885 10.3917 10.3917 10.5659 10.5659 10.8760 10.8760 10.9910 10.9910 11.1958 11.1958 12.0933 12.0933 14.9169 14.9169 17.0211 17.0211 17.1122 17.1122 18.3365 18.3365 20.5685 20.5685 22.2420 22.2420 k =-0.0717 0.1239 0.1431 ( 1691 PWs) bands (ev): 8.0125 8.0125 9.1720 9.1720 9.7429 9.7429 9.8610 9.8610 10.0808 10.0808 10.3811 10.3811 10.5846 10.5846 10.8792 10.8792 10.9824 10.9824 11.1876 11.1876 12.1036 12.1036 14.8684 14.8684 17.0671 17.0671 17.1174 17.1174 18.2603 18.2603 20.6022 20.6022 22.2278 22.2278 k =-0.0666 0.1150 0.1329 ( 1683 PWs) bands (ev): 7.9613 7.9613 9.1696 9.1696 9.7584 9.7584 9.8715 9.8715 10.0747 10.0747 10.3712 10.3712 10.6030 10.6030 10.8816 10.8816 10.9758 10.9758 11.1799 11.1799 12.1151 12.1151 14.8225 14.8225 17.0695 17.0695 17.1657 17.1657 18.1877 18.1877 20.6341 20.6341 22.2056 22.2056 k =-0.0614 0.1062 0.1227 ( 1683 PWs) bands (ev): 7.9134 7.9134 9.1663 9.1663 9.7685 9.7685 9.8851 9.8851 10.0701 10.0701 10.3622 10.3622 10.6205 10.6205 10.8826 10.8826 10.9708 10.9708 11.1722 11.1722 12.1270 12.1270 14.7794 14.7794 17.0598 17.0598 17.2249 17.2249 18.1190 18.1190 20.6641 20.6641 22.1769 22.1769 k =-0.0563 0.0973 0.1125 ( 1681 PWs) bands (ev): 7.8690 7.8690 9.1623 9.1623 9.7741 9.7741 9.9007 9.9007 10.0671 10.0671 10.3544 10.3544 10.6369 10.6369 10.8827 10.8827 10.9675 10.9675 11.1647 11.1647 12.1394 12.1394 14.7391 14.7391 17.0491 17.0491 17.2836 17.2836 18.0547 18.0547 20.6920 20.6920 22.1433 22.1433 k =-0.0512 0.0885 0.1022 ( 1677 PWs) bands (ev): 7.8281 7.8281 9.1579 9.1579 9.7765 9.7765 9.9166 9.9166 10.0655 10.0655 10.3480 10.3480 10.6519 10.6519 10.8821 10.8821 10.9656 10.9656 11.1575 11.1575 12.1522 12.1522 14.7019 14.7019 17.0387 17.0387 17.3398 17.3398 17.9952 17.9952 20.7179 20.7179 22.1063 22.1063 k =-0.0461 0.0796 0.0920 ( 1677 PWs) bands (ev): 7.7909 7.7909 9.1533 9.1533 9.7770 9.7770 9.9316 9.9316 10.0653 10.0653 10.3432 10.3432 10.6653 10.6653 10.8812 10.8812 10.9642 10.9642 11.1504 11.1504 12.1647 12.1647 14.6678 14.6678 17.0291 17.0291 17.3924 17.3924 17.9412 17.9412 20.7416 20.7416 22.0675 22.0675 k =-0.0410 0.0708 0.0818 ( 1677 PWs) bands (ev): 7.7575 7.7575 9.1485 9.1485 9.7764 9.7764 9.9449 9.9449 10.0661 10.0661 10.3400 10.3400 10.6770 10.6770 10.8806 10.8806 10.9630 10.9630 11.1439 11.1439 12.1768 12.1768 14.6370 14.6370 17.0203 17.0203 17.4403 17.4403 17.8932 17.8932 20.7630 20.7630 22.0282 22.0282 k =-0.0358 0.0619 0.0716 ( 1677 PWs) bands (ev): 7.7278 7.7278 9.1439 9.1439 9.7752 9.7752 9.9561 9.9561 10.0678 10.0678 10.3383 10.3383 10.6870 10.6870 10.8809 10.8809 10.9612 10.9612 11.1380 11.1380 12.1883 12.1883 14.6095 14.6095 17.0125 17.0125 17.4826 17.4826 17.8520 17.8520 20.7821 20.7821 21.9899 21.9899 k =-0.0307 0.0531 0.0613 ( 1677 PWs) bands (ev): 7.7019 7.7019 9.1395 9.1395 9.7737 9.7737 9.9651 9.9651 10.0701 10.0701 10.3380 10.3380 10.6952 10.6952 10.8822 10.8822 10.9586 10.9586 11.1330 11.1330 12.1989 12.1989 14.5855 14.5855 17.0057 17.0057 17.5180 17.5180 17.8184 17.8184 20.7988 20.7988 21.9538 21.9538 k =-0.0256 0.0442 0.0511 ( 1677 PWs) bands (ev): 7.6800 7.6800 9.1355 9.1355 9.7722 9.7722 9.9721 9.9721 10.0725 10.0725 10.3385 10.3385 10.7018 10.7018 10.8849 10.8849 10.9549 10.9549 11.1288 11.1288 12.2084 12.2084 14.5650 14.5650 16.9999 16.9999 17.5453 17.5453 17.7935 17.7935 20.8130 20.8130 21.9211 21.9211 k =-0.0205 0.0354 0.0409 ( 1677 PWs) bands (ev): 7.6620 7.6620 9.1321 9.1321 9.7707 9.7707 9.9772 9.9772 10.0749 10.0749 10.3398 10.3398 10.7069 10.7069 10.8888 10.8888 10.9501 10.9501 11.1255 11.1255 12.2164 12.2164 14.5481 14.5481 16.9951 16.9951 17.5636 17.5636 17.7776 17.7776 20.8248 20.8248 21.8928 21.8928 k =-0.0154 0.0265 0.0307 ( 1677 PWs) bands (ev): 7.6479 7.6479 9.1294 9.1294 9.7695 9.7695 9.9809 9.9809 10.0769 10.0769 10.3412 10.3412 10.7106 10.7106 10.8938 10.8938 10.9444 10.9444 11.1232 11.1232 12.2229 12.2229 14.5349 14.5349 16.9913 16.9913 17.5737 17.5737 17.7698 17.7698 20.8339 20.8339 21.8698 21.8698 k =-0.0102 0.0177 0.0204 ( 1677 PWs) bands (ev): 7.6379 7.6379 9.1273 9.1273 9.7686 9.7686 9.9834 9.9834 10.0784 10.0784 10.3426 10.3426 10.7131 10.7131 10.8994 10.8994 10.9383 10.9383 11.1215 11.1215 12.2277 12.2277 14.5255 14.5255 16.9887 16.9887 17.5778 17.5778 17.7676 17.7676 20.8405 20.8405 21.8529 21.8529 k =-0.0051 0.0088 0.0102 ( 1677 PWs) bands (ev): 7.6319 7.6319 9.1261 9.1261 9.7680 9.7680 9.9848 9.9848 10.0793 10.0793 10.3435 10.3435 10.7145 10.7145 10.9045 10.9045 10.9328 10.9328 11.1206 11.1206 12.2306 12.2306 14.5198 14.5198 16.9871 16.9871 17.5788 17.5788 17.7678 17.7678 20.8445 20.8445 21.8425 21.8425 k = 0.0000 0.0000 0.0000 ( 1677 PWs) bands (ev): 7.6298 7.6298 9.1257 9.1257 9.7678 9.7678 9.9852 9.9852 10.0796 10.0796 10.3438 10.3438 10.7150 10.7150 10.9069 10.9069 10.9303 10.9303 11.1203 11.1203 12.2316 12.2316 14.5179 14.5179 16.9865 16.9865 17.5788 17.5788 17.7681 17.7681 20.8458 20.8458 21.8390 21.8390 k = 0.0000 0.0000 0.0000 ( 1677 PWs) bands (ev): 7.6298 7.6298 9.1257 9.1257 9.7678 9.7678 9.9852 9.9852 10.0796 10.0796 10.3438 10.3438 10.7150 10.7150 10.9069 10.9069 10.9303 10.9303 11.1203 11.1203 12.2316 12.2316 14.5179 14.5179 16.9865 16.9865 17.5788 17.5788 17.7681 17.7681 20.8458 20.8458 21.8390 21.8390 k = 0.0125 0.0072-0.0000 ( 1677 PWs) bands (ev): 7.6320 7.6320 9.1235 9.1235 9.7686 9.7686 9.9704 9.9704 10.0917 10.0917 10.3459 10.3459 10.7129 10.7129 10.9026 10.9026 10.9335 10.9335 11.1246 11.1246 12.2309 12.2309 14.5161 14.5161 16.9864 16.9864 17.5806 17.5806 17.7699 17.7699 20.8459 20.8459 21.8379 21.8379 k = 0.0250 0.0145-0.0000 ( 1677 PWs) bands (ev): 7.6383 7.6383 9.1171 9.1171 9.7710 9.7710 9.9374 9.9374 10.1162 10.1162 10.3520 10.3520 10.7072 10.7072 10.8905 10.8905 10.9427 10.9427 11.1366 11.1366 12.2288 12.2288 14.5109 14.5109 16.9860 16.9860 17.5858 17.5858 17.7751 17.7751 20.8464 20.8464 21.8344 21.8344 k = 0.0375 0.0217-0.0000 ( 1677 PWs) bands (ev): 7.6489 7.6489 9.1066 9.1066 9.7748 9.7748 9.8970 9.8970 10.1424 10.1424 10.3621 10.3621 10.6992 10.6992 10.8728 10.8728 10.9567 10.9567 11.1540 11.1540 12.2255 12.2255 14.5022 14.5022 16.9853 16.9853 17.5944 17.5944 17.7839 17.7839 20.8472 20.8472 21.8283 21.8283 k = 0.0500 0.0289-0.0000 ( 1677 PWs) bands (ev): 7.6637 7.6637 9.0923 9.0923 9.7800 9.7800 9.8526 9.8526 10.1667 10.1667 10.3758 10.3758 10.6905 10.6905 10.8518 10.8518 10.9742 10.9742 11.1749 11.1749 12.2207 12.2207 14.4899 14.4899 16.9844 16.9844 17.6066 17.6066 17.7963 17.7963 20.8483 20.8483 21.8194 21.8194 k = 0.0625 0.0362-0.0000 ( 1677 PWs) bands (ev): 7.6826 7.6826 9.0748 9.0748 9.7864 9.7864 9.8053 9.8053 10.1876 10.1876 10.3926 10.3926 10.6825 10.6825 10.8291 10.8291 10.9940 10.9940 11.1976 11.1976 12.2147 12.2147 14.4743 14.4743 16.9832 16.9832 17.6223 17.6223 17.8122 17.8122 20.8497 20.8497 21.8074 21.8074 k = 0.0750 0.0434-0.0000 ( 1677 PWs) bands (ev): 7.7056 7.7056 9.0544 9.0544 9.7557 9.7557 9.7938 9.7938 10.2045 10.2045 10.4121 10.4121 10.6765 10.6765 10.8058 10.8058 11.0153 11.0153 11.2213 11.2213 12.2074 12.2074 14.4552 14.4552 16.9817 16.9817 17.6415 17.6415 17.8316 17.8316 20.8513 20.8513 21.7916 21.7916 k = 0.0875 0.0506-0.0000 ( 1677 PWs) bands (ev): 7.7327 7.7327 9.0315 9.0315 9.7042 9.7042 9.8021 9.8021 10.2167 10.2167 10.4336 10.4336 10.6734 10.6734 10.7830 10.7830 11.0374 11.0374 11.2452 11.2452 12.1988 12.1988 14.4328 14.4328 16.9800 16.9800 17.6643 17.6643 17.8547 17.8547 20.8533 20.8533 21.7717 21.7717 k = 0.1000 0.0579-0.0000 ( 1673 PWs) bands (ev): 7.7638 7.7638 9.0066 9.0066 9.6510 9.6510 9.8111 9.8111 10.2243 10.2243 10.4560 10.4560 10.6740 10.6740 10.7618 10.7618 11.0598 11.0598 11.2690 11.2690 12.1891 12.1891 14.4071 14.4071 16.9781 16.9781 17.6906 17.6906 17.8813 17.8813 20.8555 20.8555 21.7473 21.7473 k = 0.1125 0.0651-0.0000 ( 1677 PWs) bands (ev): 7.7988 7.7988 8.9802 8.9802 9.5963 9.5963 9.8207 9.8207 10.2268 10.2268 10.4780 10.4780 10.6780 10.6780 10.7434 10.7434 11.0822 11.0822 11.2922 11.2922 12.1782 12.1782 14.3781 14.3781 16.9759 16.9759 17.7206 17.7206 17.9116 17.9116 20.8580 20.8580 21.7176 21.7176 k = 0.1250 0.0723-0.0000 ( 1673 PWs) bands (ev): 7.8376 7.8376 8.9525 8.9525 9.5407 9.5407 9.8309 9.8309 10.2250 10.2250 10.4976 10.4976 10.6859 10.6859 10.7298 10.7298 11.1043 11.1043 11.3147 11.3147 12.1661 12.1661 14.3461 14.3461 16.9735 16.9735 17.7543 17.7543 17.9456 17.9456 20.8606 20.8606 21.6825 21.6825 k = 0.1375 0.0795-0.0000 ( 1681 PWs) bands (ev): 7.8802 7.8802 8.9239 8.9239 9.4838 9.4838 9.8415 9.8415 10.2191 10.2191 10.5123 10.5123 10.6968 10.6968 10.7234 10.7234 11.1257 11.1257 11.3360 11.3360 12.1529 12.1529 14.3110 14.3110 16.9708 16.9708 17.7916 17.7916 17.9832 17.9832 20.8635 20.8635 21.6415 21.6415 k = 0.1500 0.0868-0.0000 ( 1681 PWs) bands (ev): 7.9263 7.9263 8.8947 8.8947 9.4262 9.4262 9.8526 9.8526 10.2102 10.2102 10.5194 10.5194 10.7105 10.7105 10.7266 10.7266 11.1465 11.1465 11.3564 11.3564 12.1388 12.1388 14.2729 14.2729 16.9679 16.9679 17.8325 17.8325 18.0245 18.0245 20.8667 20.8667 21.5946 21.5946 k = 0.1625 0.0940-0.0000 ( 1681 PWs) bands (ev): 7.9759 7.9759 8.8652 8.8652 9.3682 9.3682 9.8640 9.8640 10.1988 10.1988 10.5184 10.5184 10.7265 10.7265 10.7400 10.7400 11.1665 11.1665 11.3756 11.3756 12.1239 12.1239 14.2321 14.2321 16.9648 16.9648 17.8772 17.8772 18.0694 18.0694 20.8699 20.8699 21.5416 21.5416 k = 0.1750 0.1012-0.0000 ( 1681 PWs) bands (ev): 8.0289 8.0289 8.8355 8.8355 9.3099 9.3099 9.8757 9.8757 10.1855 10.1855 10.5105 10.5105 10.7440 10.7440 10.7618 10.7618 11.1856 11.1856 11.3935 11.3935 12.1081 12.1081 14.1887 14.1887 16.9616 16.9616 17.9255 17.9255 18.1180 18.1180 20.8734 20.8734 21.4827 21.4827 k = 0.1875 0.1085-0.0000 ( 1681 PWs) bands (ev): 8.0850 8.0850 8.8059 8.8059 9.2516 9.2516 9.8877 9.8877 10.1709 10.1709 10.4984 10.4984 10.7627 10.7627 10.7896 10.7896 11.2036 11.2036 11.4100 11.4100 12.0915 12.0915 14.1428 14.1428 16.9581 16.9581 17.9775 17.9775 18.1701 18.1701 20.8770 20.8770 21.4181 21.4181 k = 0.2000 0.1157-0.0000 ( 1689 PWs) bands (ev): 8.1441 8.1441 8.7765 8.7765 9.1935 9.1935 9.8997 9.8997 10.1552 10.1552 10.4837 10.4837 10.7820 10.7820 10.8210 10.8210 11.2203 11.2203 11.4250 11.4250 12.0742 12.0742 14.0947 14.0947 16.9545 16.9545 18.0331 18.0331 18.2257 18.2257 20.8807 20.8807 21.3483 21.3483 k = 0.2125 0.1229-0.0000 ( 1685 PWs) bands (ev): 8.2061 8.2061 8.7478 8.7478 9.1358 9.1358 9.9118 9.9118 10.1393 10.1393 10.4683 10.4683 10.8016 10.8016 10.8548 10.8548 11.2362 11.2362 11.4387 11.4387 12.0565 12.0565 14.0446 14.0446 16.9508 16.9508 18.0923 18.0923 18.2849 18.2849 20.8845 20.8845 21.2736 21.2736 k = 0.2250 0.1302-0.0000 ( 1685 PWs) bands (ev): 8.2705 8.2705 8.7195 8.7195 9.0788 9.0788 9.9238 9.9238 10.1232 10.1232 10.4529 10.4529 10.8211 10.8211 10.8900 10.8900 11.2507 11.2507 11.4508 11.4508 12.0383 12.0383 13.9927 13.9927 16.9470 16.9470 18.1550 18.1550 18.3473 18.3473 20.8883 20.8883 21.1948 21.1948 k = 0.2375 0.1374-0.0000 ( 1685 PWs) bands (ev): 8.3373 8.3373 8.6917 8.6917 9.0229 9.0229 9.9357 9.9357 10.1073 10.1073 10.4380 10.4380 10.8403 10.8403 10.9257 10.9257 11.2641 11.2641 11.4613 11.4613 12.0198 12.0198 13.9393 13.9393 16.9430 16.9430 18.2210 18.2210 18.4129 18.4129 20.8922 20.8922 21.1125 21.1125 k = 0.2500 0.1446-0.0000 ( 1685 PWs) bands (ev): 8.4060 8.4060 8.6648 8.6648 8.9682 8.9682 9.9473 9.9473 10.0916 10.0916 10.4240 10.4240 10.8588 10.8588 10.9617 10.9617 11.2762 11.2762 11.4703 11.4703 12.0010 12.0010 13.8847 13.8847 16.9390 16.9390 18.2903 18.2903 18.4816 18.4816 20.8961 20.8961 21.0273 21.0273 k = 0.2625 0.1519-0.0000 ( 1685 PWs) bands (ev): 8.4762 8.4762 8.6387 8.6387 8.9154 8.9154 9.9585 9.9585 10.0763 10.0763 10.4112 10.4112 10.8764 10.8764 10.9974 10.9974 11.2872 11.2872 11.4778 11.4778 11.9822 11.9822 13.8291 13.8291 16.9350 16.9350 18.3627 18.3627 18.5532 18.5532 20.9001 20.9001 20.9402 20.9402 k = 0.2750 0.1591-0.0000 ( 1685 PWs) bands (ev): 8.5470 8.5470 8.6136 8.6136 8.8650 8.8650 9.9692 9.9692 10.0616 10.0616 10.3998 10.3998 10.8928 10.8928 11.0326 11.0326 11.2970 11.2970 11.4839 11.4839 11.9634 11.9634 13.7730 13.7730 16.9309 16.9309 18.4380 18.4380 18.6273 18.6273 20.8518 20.8518 20.9040 20.9040 k = 0.2875 0.1663-0.0000 ( 1701 PWs) bands (ev): 8.5894 8.5894 8.6163 8.6163 8.8189 8.8189 9.9789 9.9789 10.0472 10.0472 10.3896 10.3896 10.9079 10.9079 11.0669 11.0669 11.3055 11.3055 11.4882 11.4882 11.9448 11.9448 13.7166 13.7166 16.9268 16.9268 18.5160 18.5160 18.7038 18.7038 20.7630 20.7630 20.9078 20.9078 k = 0.3000 0.1736-0.0000 ( 1701 PWs) bands (ev): 8.5664 8.5664 8.6741 8.6741 8.7874 8.7874 9.9881 9.9881 10.0343 10.0343 10.3817 10.3817 10.9214 10.9214 11.1005 11.1005 11.3131 11.3131 11.4912 11.4912 11.9261 11.9261 13.6604 13.6604 16.9228 16.9228 18.5963 18.5963 18.7823 18.7823 20.6745 20.6745 20.9116 20.9116 k = 0.3125 0.1808-0.0000 ( 1701 PWs) bands (ev): 8.5445 8.5445 8.6830 8.6830 8.8074 8.8074 9.9963 9.9963 10.0220 10.0220 10.3753 10.3753 10.9328 10.9328 11.1329 11.1329 11.3198 11.3198 11.4931 11.4931 11.9083 11.9083 13.6048 13.6048 16.9188 16.9188 18.6786 18.6786 18.8625 18.8625 20.5871 20.5871 20.9153 20.9153 k = 0.3250 0.1880-0.0000 ( 1705 PWs) bands (ev): 8.5238 8.5238 8.6517 8.6517 8.8701 8.8701 10.0035 10.0035 10.0106 10.0106 10.3706 10.3706 10.9420 10.9420 11.1641 11.1641 11.3256 11.3256 11.4936 11.4936 11.8910 11.8910 13.5502 13.5502 16.9150 16.9150 18.7626 18.7626 18.9438 18.9438 20.5014 20.5014 20.9189 20.9189 k = 0.3375 0.1953-0.0000 ( 1705 PWs) bands (ev): 8.5043 8.5043 8.6136 8.6136 8.9417 8.9417 10.0002 10.0002 10.0096 10.0096 10.3677 10.3677 10.9490 10.9490 11.1938 11.1938 11.3306 11.3306 11.4930 11.4930 11.8746 11.8746 13.4969 13.4969 16.9112 16.9112 18.8477 18.8477 19.0258 19.0258 20.4184 20.4184 20.9223 20.9223 k = 0.3500 0.2025-0.0000 ( 1693 PWs) bands (ev): 8.4862 8.4862 8.5758 8.5758 9.0147 9.0147 9.9910 9.9910 10.0147 10.0147 10.3665 10.3665 10.9535 10.9535 11.2219 11.2219 11.3354 11.3354 11.4918 11.4918 11.8592 11.8592 13.4455 13.4455 16.9076 16.9076 18.9334 18.9334 19.1079 19.1079 20.3385 20.3385 20.9257 20.9257 k = 0.3625 0.2097-0.0000 ( 1693 PWs) bands (ev): 8.4694 8.4694 8.5397 8.5397 9.0872 9.0872 9.9830 9.9830 10.0188 10.0188 10.3668 10.3668 10.9554 10.9554 11.2484 11.2484 11.3389 11.3389 11.4892 11.4892 11.8445 11.8445 13.3963 13.3963 16.9042 16.9042 19.0190 19.0190 19.1894 19.1894 20.2625 20.2625 20.9289 20.9289 k = 0.3750 0.2169-0.0000 ( 1693 PWs) bands (ev): 8.4539 8.4539 8.5060 8.5060 9.1580 9.1580 9.9761 9.9761 10.0219 10.0219 10.3683 10.3683 10.9547 10.9547 11.2731 11.2731 11.3420 11.3420 11.4858 11.4858 11.8308 11.8308 13.3499 13.3499 16.9009 16.9009 19.1036 19.1036 19.2694 19.2694 20.1909 20.1909 20.9319 20.9319 k = 0.3875 0.2242-0.0000 ( 1693 PWs) bands (ev): 8.4398 8.4398 8.4750 8.4750 9.2261 9.2261 9.9707 9.9707 10.0242 10.0242 10.3708 10.3708 10.9516 10.9516 11.2960 11.2960 11.3444 11.3444 11.4817 11.4817 11.8184 11.8184 13.3065 13.3065 16.8979 16.8979 19.1865 19.1865 19.3472 19.3472 20.1244 20.1244 20.9347 20.9347 k = 0.4000 0.2314-0.0000 ( 1693 PWs) bands (ev): 8.4271 8.4271 8.4468 8.4468 9.2907 9.2907 9.9666 9.9666 10.0257 10.0257 10.3741 10.3741 10.9461 10.9461 11.3168 11.3168 11.3465 11.3465 11.4772 11.4772 11.8071 11.8071 13.2667 13.2667 16.8952 16.8952 19.2664 19.2664 19.4216 19.4216 20.0635 20.0635 20.9373 20.9373 k = 0.4125 0.2386-0.0000 ( 1693 PWs) bands (ev): 8.4159 8.4159 8.4217 8.4217 9.3506 9.3506 9.9639 9.9639 10.0267 10.0267 10.3778 10.3778 10.9386 10.9386 11.3357 11.3357 11.3482 11.3482 11.4724 11.4724 11.7970 11.7970 13.2307 13.2307 16.8927 16.8927 19.3422 19.3422 19.4917 19.4917 20.0087 20.0087 20.9397 20.9397 k = 0.4250 0.2459-0.0000 ( 1693 PWs) bands (ev): 8.3998 8.3998 8.4061 8.4061 9.4050 9.4050 9.9627 9.9627 10.0273 10.0273 10.3818 10.3818 10.9297 10.9297 11.3495 11.3495 11.3525 11.3525 11.4674 11.4674 11.7883 11.7883 13.1989 13.1989 16.8905 16.8905 19.4124 19.4124 19.5561 19.5561 19.9604 19.9604 20.9419 20.9419 k = 0.4375 0.2531-0.0000 ( 1693 PWs) bands (ev): 8.3810 8.3810 8.3978 8.3978 9.4527 9.4527 9.9629 9.9629 10.0275 10.0275 10.3855 10.3855 10.9200 10.9200 11.3506 11.3506 11.3672 11.3672 11.4625 11.4625 11.7808 11.7808 13.1716 13.1716 16.8886 16.8886 19.4756 19.4756 19.6137 19.6137 19.9190 19.9190 20.9437 20.9437 k = 0.4500 0.2603-0.0000 ( 1701 PWs) bands (ev): 8.3656 8.3656 8.3910 8.3910 9.4929 9.4929 9.9642 9.9642 10.0276 10.0276 10.3890 10.3890 10.9102 10.9102 11.3511 11.3511 11.3796 11.3796 11.4575 11.4575 11.7744 11.7744 13.1489 13.1489 16.8870 16.8870 19.5300 19.5300 19.6630 19.6630 19.8850 19.8850 20.9453 20.9453 k = 0.4625 0.2676-0.0000 ( 1692 PWs) bands (ev): 8.3536 8.3536 8.3857 8.3857 9.5248 9.5248 9.9664 9.9664 10.0277 10.0277 10.3920 10.3920 10.9014 10.9014 11.3519 11.3519 11.3898 11.3898 11.4533 11.4533 11.7697 11.7697 13.1313 13.1313 16.8858 16.8858 19.5742 19.5742 19.7030 19.7030 19.8585 19.8585 20.9465 20.9465 k = 0.4750 0.2748-0.0000 ( 1700 PWs) bands (ev): 8.3449 8.3449 8.3818 8.3818 9.5478 9.5478 9.9683 9.9683 10.0275 10.0275 10.3941 10.3941 10.8942 10.8942 11.3523 11.3523 11.3973 11.3973 11.4497 11.4497 11.7663 11.7663 13.1185 13.1185 16.8848 16.8848 19.6066 19.6066 19.7325 19.7325 19.8398 19.8398 20.9475 20.9475 k = 0.4875 0.2820-0.0000 ( 1708 PWs) bands (ev): 8.3393 8.3393 8.3795 8.3795 9.5617 9.5617 9.9699 9.9699 10.0274 10.0274 10.3955 10.3955 10.8895 10.8895 11.3523 11.3523 11.4022 11.4022 11.4471 11.4471 11.7641 11.7641 13.1107 13.1107 16.8843 16.8843 19.6264 19.6264 19.7505 19.7505 19.8287 19.8287 20.9480 20.9480 k = 0.5000 0.2893-0.0000 ( 1716 PWs) bands (ev): 8.3373 8.3373 8.3787 8.3787 9.5663 9.5663 9.9704 9.9704 10.0273 10.0273 10.3959 10.3959 10.8879 10.8879 11.3523 11.3523 11.4039 11.4039 11.4461 11.4461 11.7634 11.7634 13.1078 13.1078 16.8841 16.8841 19.6330 19.6330 19.7566 19.7566 19.8250 19.8250 20.9482 20.9482 k = 0.5000 0.2893-0.0000 ( 1716 PWs) bands (ev): 8.3373 8.3373 8.3787 8.3787 9.5663 9.5663 9.9704 9.9704 10.0273 10.0273 10.3959 10.3959 10.8879 10.8879 11.3523 11.3523 11.4039 11.4039 11.4461 11.4461 11.7634 11.7634 13.1078 13.1078 16.8841 16.8841 19.6330 19.6330 19.7566 19.7566 19.8250 19.8250 20.9482 20.9482 k = 0.4949 0.2980 0.0101 ( 1708 PWs) bands (ev): 8.3382 8.3382 8.3799 8.3799 9.5656 9.5656 9.9675 9.9675 10.0248 10.0248 10.3922 10.3922 10.8957 10.8957 11.3438 11.3438 11.4114 11.4114 11.4515 11.4515 11.7649 11.7649 13.1079 13.1079 16.8850 16.8850 19.6324 19.6324 19.7559 19.7559 19.8235 19.8235 20.9370 20.9370 k = 0.4898 0.3068 0.0203 ( 1700 PWs) bands (ev): 8.3401 8.3401 8.3835 8.3835 9.5633 9.5633 9.9586 9.9586 10.0179 10.0179 10.3816 10.3816 10.9182 10.9182 11.3268 11.3268 11.4254 11.4254 11.4675 11.4675 11.7695 11.7695 13.1073 13.1073 16.8878 16.8878 19.6305 19.6305 19.7540 19.7540 19.8188 19.8188 20.9043 20.9043 k = 0.4848 0.3156 0.0304 ( 1696 PWs) bands (ev): 8.3433 8.3433 8.3894 8.3894 9.5593 9.5593 9.9432 9.9432 10.0073 10.0073 10.3651 10.3651 10.9538 10.9538 11.3090 11.3090 11.4407 11.4407 11.4913 11.4913 11.7771 11.7771 13.1061 13.1061 16.8922 16.8922 19.6270 19.6270 19.7513 19.7513 19.8109 19.8109 20.8524 20.8524 k = 0.4797 0.3244 0.0406 ( 1692 PWs) bands (ev): 8.3479 8.3479 8.3976 8.3976 9.5538 9.5538 9.9216 9.9216 9.9944 9.9944 10.3441 10.3441 11.0000 11.0000 11.2927 11.2927 11.4580 11.4580 11.5196 11.5196 11.7874 11.7874 13.1045 13.1045 16.8984 16.8984 19.6212 19.6212 19.7483 19.7483 19.7999 19.7999 20.7845 20.7845 k = 0.4746 0.3331 0.0507 ( 1688 PWs) bands (ev): 8.3535 8.3535 8.4081 8.4081 9.5466 9.5466 9.8946 9.8946 9.9796 9.9796 10.3198 10.3198 11.0549 11.0549 11.2791 11.2791 11.4782 11.4782 11.5503 11.5503 11.8004 11.8004 13.1025 13.1025 16.9062 16.9062 19.6125 19.6125 19.7453 19.7453 19.7863 19.7863 20.7039 20.7039 k = 0.4695 0.3419 0.0608 ( 1692 PWs) bands (ev): 8.3602 8.3602 8.4210 8.4210 9.5377 9.5377 9.8632 9.8632 9.9632 9.9632 10.2929 10.2929 11.1159 11.1159 11.2695 11.2695 11.5010 11.5010 11.5822 11.5822 11.8155 11.8155 13.1000 13.1000 16.9153 16.9153 19.6002 19.6002 19.7415 19.7415 19.7713 19.7713 20.6138 20.6138 k = 0.4645 0.3507 0.0710 ( 1692 PWs) bands (ev): 8.3682 8.3682 8.4360 8.4360 9.5271 9.5271 9.8289 9.8289 9.9454 9.9454 10.2641 10.2641 11.1786 11.1786 11.2677 11.2677 11.5262 11.5262 11.6150 11.6150 11.8329 11.8329 13.0972 13.0972 16.9258 16.9258 19.5841 19.5841 19.7313 19.7313 19.7610 19.7610 20.5171 20.5171 k = 0.4594 0.3595 0.0811 ( 1688 PWs) bands (ev): 8.3773 8.3773 8.4533 8.4533 9.5148 9.5148 9.7925 9.7925 9.9262 9.9262 10.2339 10.2339 11.2235 11.2235 11.2925 11.2925 11.5536 11.5536 11.6483 11.6483 11.8522 11.8522 13.0940 13.0940 16.9373 16.9373 19.5641 19.5641 19.7100 19.7100 19.7600 19.7600 20.4161 20.4161 k = 0.4543 0.3682 0.0912 ( 1689 PWs) bands (ev): 8.3875 8.3875 8.4726 8.4726 9.5008 9.5008 9.7550 9.7550 9.9053 9.9053 10.2024 10.2024 11.2359 11.2359 11.3579 11.3579 11.5828 11.5828 11.6818 11.6818 11.8733 11.8733 13.0906 13.0906 16.9495 16.9495 19.5405 19.5405 19.6815 19.6815 19.7642 19.7642 20.3126 20.3126 k = 0.4492 0.3770 0.1014 ( 1685 PWs) bands (ev): 8.3991 8.3991 8.4941 8.4941 9.4852 9.4852 9.7169 9.7169 9.8833 9.8833 10.1701 10.1701 11.2416 11.2416 11.4378 11.4378 11.6135 11.6135 11.7152 11.7152 11.8957 11.8957 13.0870 13.0870 16.9623 16.9623 19.5137 19.5137 19.6477 19.6477 19.7710 19.7710 20.2083 20.2083 k = 0.4442 0.3858 0.1115 ( 1685 PWs) bands (ev): 8.4116 8.4116 8.5175 8.5175 9.4681 9.4681 9.6788 9.6788 9.8602 9.8602 10.1372 10.1372 11.2485 11.2485 11.5232 11.5232 11.6455 11.6455 11.7486 11.7486 11.9192 11.9192 13.0832 13.0832 16.9752 16.9752 19.4839 19.4839 19.6090 19.6090 19.7795 19.7795 20.1047 20.1047 k = 0.4391 0.3946 0.1217 ( 1685 PWs) bands (ev): 8.4251 8.4251 8.5428 8.5428 9.4495 9.4495 9.6411 9.6411 9.8363 9.8363 10.1040 10.1040 11.2585 11.2585 11.6106 11.6106 11.6800 11.6800 11.7820 11.7820 11.9435 11.9435 13.0795 13.0795 16.9879 16.9879 19.4516 19.4516 19.5653 19.5653 19.7884 19.7884 20.0038 20.0038 k = 0.4340 0.4034 0.1318 ( 1689 PWs) bands (ev): 8.4396 8.4396 8.5697 8.5697 9.4296 9.4296 9.6040 9.6040 9.8117 9.8117 10.0706 10.0706 11.2715 11.2715 11.6869 11.6869 11.7273 11.7273 11.8164 11.8164 11.9684 11.9684 13.0757 13.0757 16.9998 16.9998 19.4172 19.4172 19.5164 19.5164 19.7932 19.7932 19.9106 19.9106 k = 0.4289 0.4121 0.1419 ( 1689 PWs) bands (ev): 8.4551 8.4551 8.5982 8.5982 9.4086 9.4086 9.5679 9.5679 9.7866 9.7866 10.0374 10.0374 11.2881 11.2881 11.7305 11.7305 11.8017 11.8017 11.8590 11.8590 11.9938 11.9938 13.0723 13.0723 17.0105 17.0105 19.3809 19.3809 19.4623 19.4623 19.7663 19.7663 19.8535 19.8535 k = 0.4238 0.4209 0.1521 ( 1691 PWs) bands (ev): 8.4715 8.4715 8.6280 8.6280 9.3867 9.3867 9.5327 9.5327 9.7612 9.7612 10.0044 10.0044 11.3079 11.3079 11.7638 11.7638 11.8558 11.8558 11.9332 11.9332 12.0198 12.0198 13.0692 13.0692 17.0193 17.0193 19.3429 19.3429 19.4028 19.4028 19.6883 19.6883 19.8521 19.8521 k = 0.4188 0.4297 0.1622 ( 1691 PWs) bands (ev): 8.4889 8.4889 8.6590 8.6590 9.3643 9.3643 9.4990 9.4990 9.7357 9.7357 9.9718 9.9718 11.3308 11.3308 11.7945 11.7945 11.8900 11.8900 12.0244 12.0244 12.0523 12.0523 13.0666 13.0666 17.0256 17.0256 19.3033 19.3033 19.3383 19.3383 19.6009 19.6009 19.8654 19.8654 k = 0.4137 0.4385 0.1724 ( 1695 PWs) bands (ev): 8.5070 8.5070 8.6907 8.6907 9.3416 9.3416 9.4665 9.4665 9.7102 9.7102 9.9399 9.9399 11.3563 11.3563 11.8236 11.8236 11.9191 11.9191 12.0652 12.0652 12.1420 12.1420 13.0648 13.0648 17.0285 17.0285 19.2595 19.2595 19.2721 19.2721 19.5149 19.5149 19.8825 19.8825 k = 0.4086 0.4472 0.1825 ( 1691 PWs) bands (ev): 8.5260 8.5260 8.7230 8.7230 9.3190 9.3190 9.4357 9.4357 9.6850 9.6850 9.9088 9.9088 11.3846 11.3846 11.8511 11.8511 11.9460 11.9460 12.0908 12.0908 12.2505 12.2505 13.0643 13.0643 17.0273 17.0273 19.1921 19.1921 19.2241 19.2241 19.4324 19.4324 19.9018 19.9018 k = 0.4035 0.4560 0.1926 ( 1691 PWs) bands (ev): 8.5457 8.5457 8.7553 8.7553 9.2968 9.2968 9.4066 9.4066 9.6602 9.6602 9.8785 9.8785 11.4150 11.4150 11.8765 11.8765 11.9713 11.9713 12.1149 12.1149 12.3628 12.3628 13.0651 13.0651 17.0209 17.0209 19.1153 19.1153 19.1810 19.1810 19.3541 19.3541 19.9226 19.9226 k = 0.3985 0.4648 0.2028 ( 1691 PWs) bands (ev): 8.5659 8.5659 8.7870 8.7870 9.2753 9.2753 9.3798 9.3798 9.6359 9.6359 9.8492 9.8492 11.4471 11.4471 11.8996 11.8996 11.9951 11.9951 12.1381 12.1381 12.4775 12.4775 13.0680 13.0680 17.0083 17.0083 19.0356 19.0356 19.1371 19.1371 19.2806 19.2806 19.9447 19.9447 k = 0.3934 0.4736 0.2129 ( 1687 PWs) bands (ev): 8.5867 8.5867 8.8173 8.8173 9.2547 9.2547 9.3561 9.3561 9.6124 9.6124 9.8212 9.8212 11.4806 11.4806 11.9202 11.9202 12.0178 12.0178 12.1603 12.1603 12.5941 12.5941 13.0736 13.0736 16.9882 16.9882 18.9545 18.9545 19.0917 19.0917 19.2129 19.2129 19.9680 19.9680 k = 0.3883 0.4823 0.2231 ( 1691 PWs) bands (ev): 8.6077 8.6077 8.8454 8.8454 9.2349 9.2349 9.3361 9.3361 9.5898 9.5898 9.7945 9.7945 11.5149 11.5149 11.9378 11.9378 12.0390 12.0390 12.1812 12.1812 12.7114 12.7114 13.0831 13.0831 16.9596 16.9596 18.8730 18.8730 19.0443 19.0443 19.1517 19.1517 19.9924 19.9924 k = 0.3832 0.4911 0.2332 ( 1691 PWs) bands (ev): 8.6289 8.6289 8.8702 8.8702 9.2158 9.2158 9.3211 9.3211 9.5684 9.5684 9.7695 9.7695 11.5494 11.5494 11.9525 11.9525 12.0591 12.0591 12.2010 12.2010 12.8273 12.8273 13.0990 13.0990 16.9213 16.9213 18.7922 18.7922 18.9951 18.9951 19.0975 19.0975 20.0177 20.0177 k = 0.3781 0.4999 0.2433 ( 1693 PWs) bands (ev): 8.6501 8.6501 8.8909 8.8909 9.1969 9.1969 9.3124 9.3124 9.5484 9.5484 9.7461 9.7461 11.5836 11.5836 11.9641 11.9641 12.0779 12.0779 12.2194 12.2194 12.9357 12.9357 13.1275 13.1275 16.8722 16.8722 18.7133 18.7133 18.9452 18.9452 19.0497 19.0497 20.0440 20.0440 k = 0.3731 0.5087 0.2535 ( 1693 PWs) bands (ev): 8.6708 8.6708 8.9066 8.9066 9.1780 9.1780 9.3106 9.3106 9.5303 9.5303 9.7251 9.7251 11.6170 11.6170 11.9724 11.9724 12.0953 12.0953 12.2363 12.2363 13.0218 13.0218 13.1838 13.1838 16.8115 16.8115 18.6372 18.6372 18.8964 18.8964 19.0072 19.0072 20.0710 20.0710 k = 0.3680 0.5174 0.2636 ( 1693 PWs) bands (ev): 8.6909 8.6909 8.9174 8.9174 9.1594 9.1594 9.3152 9.3152 9.5145 9.5145 9.7067 9.7067 11.6491 11.6491 11.9775 11.9775 12.1111 12.1111 12.2515 12.2515 13.0761 13.0761 13.2779 13.2779 16.7387 16.7387 18.5648 18.5648 18.8502 18.8502 18.9687 18.9687 20.0987 20.0987 k = 0.3629 0.5262 0.2737 ( 1701 PWs) bands (ev): 8.7096 8.7096 8.9236 8.9236 9.1414 9.1414 9.3243 9.3243 9.5015 9.5015 9.6917 9.6917 11.6791 11.6791 11.9792 11.9792 12.1250 12.1250 12.2649 12.2649 13.1144 13.1144 13.3940 13.3940 16.6537 16.6537 18.4965 18.4965 18.8075 18.8075 18.9336 18.9336 20.1270 20.1270 k = 0.3578 0.5350 0.2839 ( 1699 PWs) bands (ev): 8.7267 8.7267 8.9266 8.9266 9.1248 9.1248 9.3352 9.3352 9.4925 9.4925 9.6810 9.6810 11.7066 11.7066 11.9782 11.9782 12.1371 12.1371 12.2766 12.2766 13.1502 13.1502 13.5189 13.5189 16.5568 16.5568 18.4326 18.4326 18.7691 18.7691 18.9014 18.9014 20.1558 20.1558 k = 0.3528 0.5438 0.2940 ( 1699 PWs) bands (ev): 8.7414 8.7414 8.9274 8.9274 9.1103 9.1103 9.3446 9.3446 9.4877 9.4877 9.6759 9.6759 11.7312 11.7312 11.9740 11.9740 12.1469 12.1469 12.2865 12.2865 13.1884 13.1884 13.6477 13.6477 16.4487 16.4487 18.3728 18.3728 18.7352 18.7352 18.8720 18.8720 20.1849 20.1849 k = 0.3477 0.5525 0.3042 ( 1693 PWs) bands (ev): 8.7531 8.7531 8.9268 8.9268 9.0990 9.0990 9.3501 9.3501 9.4870 9.4870 9.6784 9.6784 11.7529 11.7529 11.9669 11.9669 12.1542 12.1542 12.2948 12.2948 13.2307 13.2307 13.7784 13.7784 16.3307 16.3307 18.3168 18.3168 18.7062 18.7062 18.8454 18.8454 20.2142 20.2142 k = 0.3426 0.5613 0.3143 ( 1693 PWs) bands (ev): 8.7615 8.7615 8.9251 8.9251 9.0918 9.0918 9.3510 9.3510 9.4881 9.4881 9.6896 9.6896 11.7706 11.7706 11.9571 11.9571 12.1588 12.1588 12.3016 12.3016 13.2780 13.2780 13.9098 13.9098 16.2040 16.2040 18.2640 18.2640 18.6819 18.6819 18.8216 18.8216 20.2436 20.2436 k = 0.3375 0.5701 0.3244 ( 1693 PWs) bands (ev): 8.7665 8.7665 8.9220 8.9220 9.0897 9.0897 9.3485 9.3485 9.4890 9.4890 9.7102 9.7102 11.7845 11.7845 11.9449 11.9449 12.1603 12.1603 12.3072 12.3072 13.3305 13.3305 14.0410 14.0410 16.0703 16.0703 18.2136 18.2136 18.6625 18.6625 18.8007 18.8007 20.2728 20.2728 k = 0.3325 0.5789 0.3346 ( 1689 PWs) bands (ev): 8.7684 8.7684 8.9173 8.9173 9.0933 9.0933 9.3442 9.3442 9.4886 9.4886 9.7392 9.7392 11.7942 11.7942 11.9304 11.9304 12.1587 12.1587 12.3119 12.3119 13.3880 13.3880 14.1710 14.1710 15.9315 15.9315 18.1650 18.1650 18.6478 18.6478 18.7829 18.7829 20.3018 20.3018 k = 0.3274 0.5876 0.3447 ( 1689 PWs) bands (ev): 8.7680 8.7680 8.9109 8.9109 9.1021 9.1021 9.3391 9.3391 9.4869 9.4869 9.7746 9.7746 11.7995 11.7995 11.9140 11.9140 12.1537 12.1537 12.3158 12.3158 13.4505 13.4505 14.2980 14.2980 15.7900 15.7900 18.1174 18.1174 18.6378 18.6378 18.7683 18.7683 20.3304 20.3304 k = 0.3223 0.5964 0.3549 ( 1685 PWs) bands (ev): 8.7660 8.7660 8.9032 8.9032 9.1155 9.1155 9.3341 9.3341 9.4849 9.4849 9.8147 9.8147 11.8003 11.8003 11.8963 11.8963 12.1454 12.1454 12.3192 12.3192 13.5176 13.5176 14.4195 14.4195 15.6491 15.6491 18.0704 18.0704 18.6323 18.6323 18.7571 18.7571 20.3583 20.3583 k = 0.3172 0.6052 0.3650 ( 1685 PWs) bands (ev): 8.7630 8.7630 8.8945 8.8945 9.1323 9.1323 9.3297 9.3297 9.4829 9.4829 9.8579 9.8579 11.7959 11.7959 11.8779 11.8779 12.1338 12.1338 12.3220 12.3220 13.5888 13.5888 14.5307 14.5307 15.5145 15.5145 18.0234 18.0234 18.6311 18.6311 18.7495 18.7495 20.3854 20.3854 k = 0.3121 0.6140 0.3751 ( 1689 PWs) bands (ev): 8.7596 8.7596 8.8855 8.8855 9.1516 9.1516 9.3262 9.3262 9.4816 9.4816 9.9031 9.9031 11.7858 11.7858 11.8598 11.8598 12.1190 12.1190 12.3241 12.3241 13.6637 13.6637 14.6213 14.6213 15.3968 15.3968 17.9762 17.9762 18.6342 18.6342 18.7457 18.7457 20.4114 20.4114 k = 0.3071 0.6228 0.3853 ( 1695 PWs) bands (ev): 8.7562 8.7562 8.8766 8.8766 9.1723 9.1723 9.3238 9.3238 9.4816 9.4816 9.9495 9.9495 11.7697 11.7697 11.8423 11.8423 12.1014 12.1014 12.3257 12.3257 13.7417 13.7417 14.6709 14.6709 15.3172 15.3172 17.9284 17.9284 18.6412 18.6412 18.7459 18.7459 20.4362 20.4362 k = 0.3020 0.6315 0.3954 ( 1691 PWs) bands (ev): 8.7532 8.7532 8.8683 8.8683 9.1939 9.1939 9.3229 9.3229 9.4831 9.4831 9.9969 9.9969 11.7483 11.7483 11.8258 11.8258 12.0812 12.0812 12.3266 12.3266 13.8223 13.8223 14.6544 14.6544 15.3013 15.3013 17.8798 17.8798 18.6521 18.6521 18.7503 18.7503 20.4594 20.4594 k = 0.2969 0.6403 0.4056 ( 1691 PWs) bands (ev): 8.7508 8.7508 8.8605 8.8605 9.2158 9.2158 9.3234 9.3234 9.4864 9.4864 10.0441 10.0441 11.7225 11.7225 11.8092 11.8092 12.0586 12.0586 12.3268 12.3268 13.9047 13.9047 14.5725 14.5725 15.3486 15.3486 17.8303 17.8303 18.6667 18.6667 18.7591 18.7591 20.4810 20.4810 k = 0.2918 0.6491 0.4157 ( 1691 PWs) bands (ev): 8.7492 8.7492 8.8537 8.8537 9.2373 9.2373 9.3256 9.3256 9.4915 9.4915 10.0912 10.0912 11.6935 11.6935 11.7919 11.7919 12.0338 12.0338 12.3261 12.3261 13.9879 13.9879 14.4515 14.4515 15.4338 15.4338 17.7799 17.7799 18.6849 18.6849 18.7724 18.7724 20.5006 20.5006 k = 0.2918 0.6491 0.4157 ( 1691 PWs) bands (ev): 8.7492 8.7492 8.8537 8.8537 9.2373 9.2373 9.3256 9.3256 9.4915 9.4915 10.0912 10.0912 11.6935 11.6935 11.7919 11.7919 12.0338 12.0338 12.3261 12.3261 13.9879 13.9879 14.4515 14.4515 15.4338 15.4338 17.7799 17.7799 18.6849 18.6849 18.7724 18.7724 20.5006 20.5006 k = 0.2786 0.6458 0.4195 ( 1690 PWs) bands (ev): 8.7444 8.7444 8.8563 8.8563 9.2449 9.2449 9.3268 9.3268 9.4968 9.4968 10.1088 10.1088 11.6806 11.6806 11.7844 11.7844 12.0216 12.0216 12.3256 12.3256 13.9937 13.9937 14.4238 14.4238 15.4752 15.4752 17.7620 17.7620 18.6929 18.6929 18.7774 18.7774 20.5076 20.5076 k = 0.2653 0.6425 0.4233 ( 1688 PWs) bands (ev): 8.7323 8.7323 8.8677 8.8677 9.2504 9.2504 9.3298 9.3298 9.5078 9.5078 10.1266 10.1266 11.6646 11.6646 11.7754 11.7754 12.0045 12.0045 12.3249 12.3249 13.9527 13.9527 14.4357 14.4357 15.5278 15.5278 17.7463 17.7463 18.7017 18.7017 18.7810 18.7810 20.5146 20.5146 k = 0.2520 0.6392 0.4271 ( 1688 PWs) bands (ev): 8.7157 8.7157 8.8849 8.8849 9.2516 9.2516 9.3374 9.3374 9.5236 9.5236 10.1442 10.1442 11.6456 11.6456 11.7649 11.7649 11.9822 11.9822 12.3244 12.3244 13.8830 13.8830 14.4688 14.4688 15.5918 15.5918 17.7327 17.7327 18.7109 18.7109 18.7834 18.7834 20.5216 20.5216 k = 0.2388 0.6359 0.4309 ( 1686 PWs) bands (ev): 8.6970 8.6970 8.9056 8.9056 9.2476 9.2476 9.3512 9.3512 9.5434 9.5434 10.1618 10.1618 11.6238 11.6238 11.7531 11.7531 11.9549 11.9549 12.3242 12.3242 13.8012 13.8012 14.5073 14.5073 15.6666 15.6666 17.7213 17.7213 18.7196 18.7196 18.7854 18.7854 20.5286 20.5286 k = 0.2255 0.6326 0.4347 ( 1688 PWs) bands (ev): 8.6775 8.6775 8.9285 8.9285 9.2396 9.2396 9.3706 9.3706 9.5663 9.5663 10.1791 10.1791 11.5991 11.5991 11.7397 11.7397 11.9227 11.9227 12.3243 12.3243 13.7160 13.7160 14.5437 14.5437 15.7506 15.7506 17.7121 17.7121 18.7267 18.7267 18.7878 18.7878 20.5356 20.5356 k = 0.2122 0.6294 0.4385 ( 1685 PWs) bands (ev): 8.6579 8.6579 8.9529 8.9529 9.2294 9.2294 9.3944 9.3944 9.5918 9.5918 10.1959 10.1959 11.5718 11.5718 11.7249 11.7249 11.8862 11.8862 12.3250 12.3250 13.6313 13.6313 14.5756 14.5756 15.8421 15.8421 17.7052 17.7052 18.7303 18.7303 18.7923 18.7923 20.5425 20.5425 k = 0.1990 0.6261 0.4423 ( 1683 PWs) bands (ev): 8.6386 8.6386 8.9783 8.9783 9.2182 9.2182 9.4214 9.4214 9.6195 9.6195 10.2123 10.2123 11.5423 11.5423 11.7082 11.7082 11.8460 11.8460 12.3261 12.3261 13.5494 13.5494 14.6028 14.6028 15.9387 15.9387 17.7008 17.7008 18.7294 18.7294 18.7997 18.7997 20.5493 20.5493 k = 0.1857 0.6228 0.4461 ( 1689 PWs) bands (ev): 8.6198 8.6198 9.0041 9.0041 9.2065 9.2065 9.4511 9.4511 9.6488 9.6488 10.2280 10.2280 11.5107 11.5107 11.6890 11.6890 11.8031 11.8031 12.3276 12.3276 13.4715 13.4715 14.6257 14.6257 16.0380 16.0380 17.6991 17.6991 18.7237 18.7237 18.8100 18.8100 20.5559 20.5559 k = 0.1724 0.6195 0.4499 ( 1693 PWs) bands (ev): 8.6019 8.6019 9.0298 9.0298 9.1953 9.1953 9.4829 9.4829 9.6794 9.6794 10.2429 10.2429 11.4776 11.4776 11.6660 11.6660 11.7600 11.7600 12.3295 12.3295 13.3983 13.3983 14.6451 14.6451 16.1380 16.1380 17.7006 17.7006 18.7139 18.7139 18.8220 18.8220 20.5623 20.5623 k = 0.1592 0.6162 0.4537 ( 1695 PWs) bands (ev): 8.5849 8.5849 9.0552 9.0552 9.1848 9.1848 9.5163 9.5163 9.7111 9.7111 10.2571 10.2571 11.4430 11.4430 11.6368 11.6368 11.7199 11.7199 12.3317 12.3317 13.3303 13.3303 14.6615 14.6615 16.2364 16.2364 17.7055 17.7055 18.7007 18.7007 18.8351 18.8351 20.5685 20.5685 k = 0.1459 0.6129 0.4575 ( 1693 PWs) bands (ev): 8.5690 8.5690 9.0793 9.0793 9.1760 9.1760 9.5508 9.5508 9.7436 9.7436 10.2703 10.2703 11.4076 11.4076 11.5992 11.5992 11.6863 11.6863 12.3341 12.3341 13.2678 13.2678 14.6756 14.6756 16.3314 16.3314 17.7144 17.7144 18.6844 18.6844 18.8485 18.8485 20.5745 20.5745 k = 0.1327 0.6096 0.4613 ( 1698 PWs) bands (ev): 8.5542 8.5542 9.1003 9.1003 9.1702 9.1702 9.5858 9.5858 9.7766 9.7766 10.2824 10.2824 11.3712 11.3712 11.5540 11.5540 11.6593 11.6593 12.3366 12.3366 13.2109 13.2109 14.6879 14.6879 16.4212 16.4212 17.7277 17.7277 18.6651 18.6651 18.8617 18.8617 20.5801 20.5801 k = 0.1194 0.6063 0.4651 ( 1698 PWs) bands (ev): 8.5406 8.5406 9.1149 9.1149 9.1708 9.1708 9.6208 9.6208 9.8099 9.8099 10.2935 10.2935 11.3344 11.3344 11.5053 11.5053 11.6367 11.6367 12.3392 12.3392 13.1598 13.1598 14.6986 14.6986 16.5044 16.5044 17.7457 17.7457 18.6431 18.6431 18.8746 18.8746 20.5853 20.5853 k = 0.1061 0.6031 0.4689 ( 1696 PWs) bands (ev): 8.5284 8.5284 9.1199 9.1199 9.1805 9.1805 9.6551 9.6551 9.8431 9.8431 10.3032 10.3032 11.2973 11.2973 11.4564 11.4564 11.6168 11.6168 12.3417 12.3417 13.1144 13.1144 14.7080 14.7080 16.5795 16.5795 17.7686 17.7686 18.6184 18.6184 18.8867 18.8867 20.5901 20.5901 k = 0.0929 0.5998 0.4727 ( 1694 PWs) bands (ev): 8.5175 8.5175 9.1182 9.1182 9.1962 9.1962 9.6880 9.6880 9.8757 9.8757 10.3117 10.3117 11.2601 11.2601 11.4099 11.4099 11.5987 11.5987 12.3442 12.3442 13.0747 13.0747 14.7161 14.7161 16.6457 16.6457 17.7964 17.7964 18.5913 18.5913 18.8979 18.8979 20.5945 20.5945 k = 0.0796 0.5965 0.4765 ( 1693 PWs) bands (ev): 8.5080 8.5080 9.1141 9.1141 9.2132 9.2132 9.7186 9.7186 9.9073 9.9073 10.3189 10.3189 11.2233 11.2233 11.3676 11.3676 11.5824 11.5824 12.3463 12.3463 13.0406 13.0406 14.7232 14.7232 16.7023 16.7023 17.8283 17.8283 18.5623 18.5623 18.9080 18.9080 20.5984 20.5984 k = 0.0663 0.5932 0.4803 ( 1694 PWs) bands (ev): 8.4999 8.4999 9.1097 9.1097 9.2292 9.2292 9.7462 9.7462 9.9370 9.9370 10.3248 10.3248 11.1877 11.1877 11.3310 11.3310 11.5679 11.5679 12.3481 12.3481 13.0119 13.0119 14.7292 14.7292 16.7493 16.7493 17.8631 17.8631 18.5320 18.5320 18.9168 18.9168 20.6017 20.6017 k = 0.0531 0.5899 0.4840 ( 1698 PWs) bands (ev): 8.4931 8.4931 9.1055 9.1055 9.2431 9.2431 9.7700 9.7700 9.9639 9.9639 10.3292 10.3292 11.1546 11.1546 11.3007 11.3007 11.5556 11.5556 12.3498 12.3498 12.9886 12.9886 14.7341 14.7341 16.7866 16.7866 17.8990 17.8990 18.5016 18.5016 18.9241 18.9241 20.6045 20.6045 k = 0.0398 0.5866 0.4878 ( 1701 PWs) bands (ev): 8.4878 8.4878 9.1022 9.1022 9.2545 9.2545 9.7892 9.7892 9.9868 9.9868 10.3324 10.3324 11.1260 11.1260 11.2771 11.2771 11.5455 11.5455 12.3511 12.3511 12.9707 12.9707 14.7379 14.7379 16.8149 16.8149 17.9334 17.9334 18.4728 18.4728 18.9299 18.9299 20.6067 20.6067 k = 0.0265 0.5833 0.4916 ( 1701 PWs) bands (ev): 8.4841 8.4841 9.0997 9.0997 9.2629 9.2629 9.8035 9.8035 10.0045 10.0045 10.3346 10.3346 11.1038 11.1038 11.2603 11.2603 11.5382 11.5382 12.3521 12.3521 12.9579 12.9579 14.7406 14.7406 16.8345 16.8345 17.9626 17.9626 18.4483 18.4483 18.9342 18.9342 20.6082 20.6082 k = 0.0133 0.5801 0.4954 ( 1703 PWs) bands (ev): 8.4817 8.4817 9.0982 9.0982 9.2680 9.2680 9.8122 9.8122 10.0157 10.0157 10.3358 10.3358 11.0896 11.0896 11.2502 11.2502 11.5338 11.5338 12.3527 12.3527 12.9503 12.9503 14.7423 14.7423 16.8461 16.8461 17.9827 17.9827 18.4314 18.4314 18.9367 18.9367 20.6092 20.6092 k = 0.0000 0.5768 0.4992 ( 1704 PWs) bands (ev): 8.4809 8.4809 9.0977 9.0977 9.2697 9.2697 9.8152 9.8152 10.0195 10.0195 10.3361 10.3361 11.0848 11.0848 11.2469 11.2469 11.5323 11.5323 12.3529 12.3529 12.9477 12.9477 14.7428 14.7428 16.8499 16.8499 17.9900 17.9900 18.4253 18.4253 18.9376 18.9376 20.6095 20.6095 k = 0.0000 0.5768 0.4992 ( 1704 PWs) bands (ev): 8.4809 8.4809 9.0977 9.0977 9.2697 9.2697 9.8152 9.8152 10.0195 10.0195 10.3361 10.3361 11.0848 11.0848 11.2469 11.2469 11.5323 11.5323 12.3529 12.3529 12.9477 12.9477 14.7428 14.7428 16.8499 16.8499 17.9900 17.9900 18.4253 18.4253 18.9376 18.9376 20.6095 20.6095 k = 0.0051 0.5679 0.5094 ( 1704 PWs) bands (ev): 8.4822 8.4822 9.0979 9.0979 9.2709 9.2709 9.8143 9.8143 10.0184 10.0184 10.3381 10.3381 11.0842 11.0842 11.2455 11.2455 11.5340 11.5340 12.3496 12.3496 12.9520 12.9520 14.7415 14.7415 16.8519 16.8519 17.9704 17.9704 18.4261 18.4261 18.9566 18.9566 20.6116 20.6116 k = 0.0102 0.5591 0.5196 ( 1702 PWs) bands (ev): 8.4858 8.4858 9.0986 9.0986 9.2744 9.2744 9.8118 9.8118 10.0150 10.0150 10.3441 10.3441 11.0825 11.0825 11.2416 11.2416 11.5391 11.5391 12.3402 12.3402 12.9646 12.9646 14.7376 14.7376 16.8578 16.8578 17.9159 17.9159 18.4283 18.4283 19.0094 19.0094 20.6178 20.6178 k = 0.0153 0.5503 0.5298 ( 1700 PWs) bands (ev): 8.4919 8.4919 9.0996 9.0996 9.2801 9.2801 9.8076 9.8076 10.0095 10.0095 10.3538 10.3538 11.0798 11.0798 11.2354 11.2354 11.5473 11.5473 12.3253 12.3253 12.9847 12.9847 14.7310 14.7310 16.8677 16.8677 17.8359 17.8359 18.4317 18.4317 19.0866 19.0866 20.6283 20.6283 k = 0.0204 0.5415 0.5400 ( 1704 PWs) bands (ev): 8.5003 8.5003 9.1010 9.1010 9.2880 9.2880 9.8018 9.8018 10.0020 10.0020 10.3669 10.3669 11.0760 11.0760 11.2274 11.2274 11.5578 11.5578 12.3060 12.3060 13.0111 13.0111 14.7219 14.7219 16.8816 16.8816 17.7393 17.7393 18.4363 18.4363 19.1789 19.1789 20.6434 20.6434 k = 0.0255 0.5327 0.5502 ( 1700 PWs) bands (ev): 8.5110 8.5110 9.1030 9.1030 9.2982 9.2982 9.7946 9.7946 9.9930 9.9930 10.3832 10.3832 11.0714 11.0714 11.2181 11.2181 11.5702 11.5702 12.2837 12.2837 13.0429 13.0429 14.7104 14.7104 16.8993 16.8993 17.6324 17.6324 18.4420 18.4420 19.2798 19.2798 20.6635 20.6635 k = 0.0306 0.5239 0.5604 ( 1702 PWs) bands (ev): 8.5241 8.5241 9.1054 9.1054 9.3103 9.3103 9.7860 9.7860 9.9825 9.9825 10.4023 10.4023 11.0659 11.0659 11.2078 11.2078 11.5839 11.5839 12.2591 12.2591 13.0790 13.0790 14.6964 14.6964 16.9210 16.9210 17.5194 17.5194 18.4487 18.4487 19.3842 19.3842 20.6891 20.6891 k = 0.0357 0.5150 0.5706 ( 1704 PWs) bands (ev): 8.5393 8.5393 9.1083 9.1083 9.3243 9.3243 9.7762 9.7762 9.9709 9.9709 10.4239 10.4239 11.0598 11.0598 11.1969 11.1969 11.5984 11.5984 12.2332 12.2332 13.1185 13.1185 14.6800 14.6800 16.9465 16.9465 17.4029 17.4029 18.4564 18.4564 19.4889 19.4889 20.7207 20.7207 k = 0.0408 0.5062 0.5807 ( 1704 PWs) bands (ev): 8.5568 8.5568 9.1118 9.1118 9.3402 9.3402 9.7653 9.7653 9.9581 9.9581 10.4479 10.4479 11.0531 11.0531 11.1857 11.1857 11.6133 11.6133 12.2069 12.2069 13.1607 13.1607 14.6615 14.6615 16.9759 16.9759 17.2849 17.2849 18.4649 18.4649 19.5912 19.5912 20.7593 20.7593 k = 0.0459 0.4974 0.5909 ( 1704 PWs) bands (ev): 8.5765 8.5765 9.1160 9.1160 9.3576 9.3576 9.7534 9.7534 9.9444 9.9444 10.4738 10.4738 11.0461 11.0461 11.1744 11.1744 11.6281 11.6281 12.1804 12.1804 13.2051 13.2051 14.6408 14.6408 17.0085 17.0085 17.1671 17.1671 18.4742 18.4742 19.6890 19.6890 20.8054 20.8054 k = 0.0510 0.4886 0.6011 ( 1704 PWs) bands (ev): 8.5982 8.5982 9.1209 9.1209 9.3766 9.3766 9.7407 9.7407 9.9299 9.9299 10.5016 10.5016 11.0389 11.0389 11.1632 11.1632 11.6425 11.6425 12.1544 12.1544 13.2513 13.2513 14.6181 14.6181 17.0291 17.0291 17.0653 17.0653 18.4840 18.4840 19.7806 19.7806 20.8599 20.8599 k = 0.0561 0.4798 0.6113 ( 1706 PWs) bands (ev): 8.6218 8.6218 9.1263 9.1263 9.3967 9.3967 9.7272 9.7272 9.9148 9.9148 10.5309 10.5309 11.0316 11.0316 11.1522 11.1522 11.6562 11.6562 12.1290 12.1290 13.2989 13.2989 14.5935 14.5935 16.9268 16.9268 17.0916 17.0916 18.4944 18.4944 19.8647 19.8647 20.9230 20.9230 k = 0.0612 0.4709 0.6215 ( 1710 PWs) bands (ev): 8.6473 8.6473 9.1323 9.1323 9.4179 9.4179 9.7131 9.7131 9.8993 9.8993 10.5615 10.5615 11.0244 11.0244 11.1416 11.1416 11.6689 11.6689 12.1047 12.1047 13.3476 13.3476 14.5671 14.5671 16.8117 16.8117 17.1359 17.1359 18.5051 18.5051 19.9404 19.9404 20.9950 20.9950 k = 0.0663 0.4621 0.6317 ( 1714 PWs) bands (ev): 8.6745 8.6745 9.1390 9.1390 9.4399 9.4399 9.6988 9.6988 9.8837 9.8837 10.5930 10.5930 11.0174 11.0174 11.1316 11.1316 11.6806 11.6806 12.0814 12.0814 13.3970 13.3970 14.5391 14.5391 16.6979 16.6979 17.1849 17.1849 18.5159 18.5159 20.0077 20.0077 21.0753 21.0753 k = 0.0714 0.4533 0.6419 ( 1710 PWs) bands (ev): 8.7034 8.7034 9.1464 9.1464 9.4622 9.4622 9.6843 9.6843 9.8682 9.8682 10.6254 10.6254 11.0108 11.0108 11.1227 11.1227 11.6909 11.6909 12.0596 12.0596 13.4473 13.4473 14.5096 14.5096 16.5862 16.5862 17.2379 17.2379 18.5267 18.5267 20.0667 20.0667 21.1631 21.1631 k = 0.0765 0.4445 0.6521 ( 1708 PWs) bands (ev): 8.7338 8.7338 9.1545 9.1545 9.4841 9.4841 9.6699 9.6699 9.8533 9.8533 10.6579 10.6579 11.0046 11.0046 11.1148 11.1148 11.6998 11.6998 12.0392 12.0392 13.4980 13.4980 14.4787 14.4787 16.4769 16.4769 17.2948 17.2948 18.5373 18.5373 20.1180 20.1180 21.2571 21.2571 k = 0.0816 0.4357 0.6623 ( 1708 PWs) bands (ev): 8.7656 8.7656 9.1631 9.1631 9.5048 9.5048 9.6561 9.6561 9.8395 9.8395 10.6901 10.6901 10.9992 10.9992 11.1084 11.1084 11.7071 11.7071 12.0202 12.0202 13.5491 13.5491 14.4464 14.4464 16.3705 16.3705 17.3556 17.3556 18.5475 18.5475 20.1627 20.1627 21.3560 21.3560 k = 0.0867 0.4268 0.6724 ( 1708 PWs) bands (ev): 8.7986 8.7986 9.1722 9.1722 9.5227 9.5227 9.6435 9.6435 9.8277 9.8277 10.7212 10.7212 10.9949 10.9949 11.1038 11.1038 11.7126 11.7126 12.0026 12.0026 13.6004 13.6004 14.4131 14.4131 16.2671 16.2671 17.4202 17.4202 18.5571 18.5571 20.2015 20.2015 21.4583 21.4583 k = 0.0918 0.4180 0.6826 ( 1706 PWs) bands (ev): 8.8326 8.8326 9.1821 9.1821 9.5360 9.5360 9.6330 9.6330 9.8190 9.8190 10.7502 10.7502 10.9925 10.9925 11.1015 11.1015 11.7164 11.7164 11.9866 11.9866 13.6518 13.6518 14.3787 14.3787 16.1670 16.1670 17.4885 17.4885 18.5660 18.5660 20.2353 20.2353 21.5625 21.5625 k = 0.0969 0.4092 0.6928 ( 1704 PWs) bands (ev): 8.8674 8.8674 9.1922 9.1922 9.5425 9.5425 9.6256 9.6256 9.8149 9.8149 10.7754 10.7754 10.9931 10.9931 11.1018 11.1018 11.7184 11.7184 11.9719 11.9719 13.7031 13.7031 14.3435 14.3435 16.0703 16.0703 17.5605 17.5605 18.5739 18.5739 20.2649 20.2649 21.6673 21.6673 k = 0.1020 0.4004 0.7030 ( 1704 PWs) bands (ev): 8.9028 8.9028 9.2029 9.2029 9.5411 9.5411 9.6204 9.6204 9.8169 9.8169 10.7955 10.7955 10.9976 10.9976 11.1053 11.1053 11.7187 11.7187 11.9585 11.9585 13.7540 13.7540 14.3076 14.3076 15.9772 15.9772 17.6361 17.6361 18.5808 18.5808 20.2910 20.2910 21.7716 21.7716 k = 0.1071 0.3916 0.7132 ( 1702 PWs) bands (ev): 8.9386 8.9386 9.2141 9.2141 9.5338 9.5338 9.6152 9.6152 9.8257 9.8257 10.8093 10.8093 11.0065 11.0065 11.1127 11.1127 11.7174 11.7174 11.9462 11.9462 13.8045 13.8045 14.2712 14.2712 15.8878 15.8878 17.7151 17.7151 18.5864 18.5864 20.3140 20.3140 21.8742 21.8742 k = 0.1122 0.3827 0.7234 ( 1700 PWs) bands (ev): 8.9745 8.9745 9.2255 9.2255 9.5230 9.5230 9.6078 9.6078 9.8410 9.8410 10.8168 10.8168 11.0189 11.0189 11.1249 11.1249 11.7144 11.7144 11.9350 11.9350 13.8543 13.8543 14.2346 14.2346 15.8022 15.8022 17.7973 17.7973 18.5909 18.5909 20.3343 20.3343 21.9742 21.9742 k = 0.1173 0.3739 0.7336 ( 1698 PWs) bands (ev): 9.0103 9.0103 9.2371 9.2371 9.5106 9.5106 9.5978 9.5978 9.8617 9.8617 10.8191 10.8191 11.0328 11.0328 11.1426 11.1426 11.7100 11.7100 11.9247 11.9247 13.9029 13.9029 14.1983 14.1983 15.7205 15.7205 17.8824 17.8824 18.5942 18.5942 20.3523 20.3523 22.0706 22.0706 k = 0.1224 0.3651 0.7438 ( 1698 PWs) bands (ev): 9.0456 9.0456 9.2487 9.2487 9.4976 9.4976 9.5856 9.5856 9.8863 9.8863 10.8176 10.8176 11.0463 11.0463 11.1661 11.1661 11.7044 11.7044 11.9152 11.9152 13.9493 13.9493 14.1634 14.1634 15.6428 15.6428 17.9698 17.9698 18.5966 18.5966 20.3683 20.3683 22.1627 22.1627 k = 0.1276 0.3563 0.7540 ( 1700 PWs) bands (ev): 9.0801 9.0801 9.2602 9.2602 9.4848 9.4848 9.5721 9.5721 9.9135 9.9135 10.8139 10.8139 11.0585 11.0585 11.1946 11.1946 11.6976 11.6976 11.9063 11.9063 13.9904 13.9904 14.1330 14.1330 15.5689 15.5689 18.0588 18.0588 18.5986 18.5986 20.3823 20.3823 22.2497 22.2497 k = 0.1327 0.3475 0.7641 ( 1700 PWs) bands (ev): 9.1134 9.1134 9.2714 9.2714 9.4727 9.4727 9.5580 9.5580 9.9425 9.9425 10.8093 10.8093 11.0693 11.0693 11.2269 11.2269 11.6900 11.6900 11.8981 11.8981 14.0154 14.0154 14.1179 14.1179 15.4989 15.4989 18.1479 18.1479 18.6017 18.6017 20.3946 20.3946 22.3304 22.3304 k = 0.1378 0.3387 0.7743 ( 1700 PWs) bands (ev): 9.1451 9.1451 9.2819 9.2819 9.4619 9.4619 9.5439 9.5439 9.9726 9.9726 10.8043 10.8043 11.0791 11.0791 11.2616 11.2616 11.6819 11.6819 11.8905 11.8905 14.0080 14.0080 14.1345 14.1345 15.4327 15.4327 18.2341 18.2341 18.6083 18.6083 20.4054 20.4054 22.4018 22.4018 k = 0.1429 0.3298 0.7845 ( 1702 PWs) bands (ev): 9.1747 9.1747 9.2911 9.2911 9.4528 9.4528 9.5305 9.5305 10.0033 10.0033 10.7996 10.7996 11.0877 11.0877 11.2979 11.2979 11.6735 11.6735 11.8834 11.8834 13.9806 13.9806 14.1707 14.1707 15.3703 15.3703 18.3116 18.3116 18.6244 18.6244 20.4148 20.4148 22.4355 22.4355 k = 0.1480 0.3210 0.7947 ( 1698 PWs) bands (ev): 9.2017 9.2017 9.2988 9.2988 9.4460 9.4460 9.5183 9.5183 10.0344 10.0344 10.7958 10.7958 11.0953 11.0953 11.3351 11.3351 11.6652 11.6652 11.8768 11.8768 13.9474 13.9474 14.2123 14.2123 15.3114 15.3114 18.3708 18.3708 18.6591 18.6591 20.4228 20.4228 22.4365 22.4365 k = 0.1531 0.3122 0.8049 ( 1700 PWs) bands (ev): 9.2253 9.2253 9.3043 9.3043 9.4419 9.4419 9.5081 9.5081 10.0655 10.0655 10.7929 10.7929 11.1013 11.1013 11.3724 11.3724 11.6572 11.6572 11.8707 11.8707 13.9128 13.9128 14.2549 14.2549 15.2561 15.2561 18.4040 18.4040 18.7200 18.7200 20.4295 20.4295 22.4326 22.4326 k = 0.1582 0.3034 0.8151 ( 1700 PWs) bands (ev): 9.2446 9.2446 9.3077 9.3077 9.4406 9.4406 9.5008 9.5008 10.0965 10.0965 10.7913 10.7913 11.1057 11.1057 11.4095 11.4095 11.6500 11.6500 11.8651 11.8651 13.8782 13.8782 14.2972 14.2972 15.2041 15.2041 18.4143 18.4143 18.8039 18.8039 20.4350 20.4350 22.4261 22.4261 k = 0.1633 0.2946 0.8253 ( 1704 PWs) bands (ev): 9.2587 9.2587 9.3094 9.3094 9.4416 9.4416 9.4973 9.4973 10.1273 10.1273 10.7910 10.7910 11.1078 11.1078 11.4458 11.4458 11.6439 11.6439 11.8601 11.8601 13.8444 13.8444 14.3387 14.3387 15.1553 15.1553 18.4100 18.4100 18.9022 18.9022 20.4395 20.4395 22.4172 22.4172 k = 0.1684 0.2857 0.8355 ( 1704 PWs) bands (ev): 9.2667 9.2667 9.3102 9.3102 9.4442 9.4442 9.4982 9.4982 10.1577 10.1577 10.7921 10.7921 11.1076 11.1076 11.4814 11.4814 11.6395 11.6395 11.8556 11.8556 13.8117 13.8117 14.3790 14.3790 15.1096 15.1096 18.3972 18.3972 19.0090 19.0090 20.4430 20.4430 22.4056 22.4056 k = 0.1735 0.2769 0.8456 ( 1700 PWs) bands (ev): 9.2689 9.2689 9.3105 9.3105 9.4482 9.4482 9.5034 9.5034 10.1878 10.1878 10.7947 10.7947 11.1047 11.1047 11.5156 11.5156 11.6372 11.6372 11.8517 11.8517 13.7805 13.7805 14.4180 14.4180 15.0669 15.0669 18.3791 18.3791 19.1207 19.1207 20.4455 20.4455 22.3913 22.3913 k = 0.1786 0.2681 0.8558 ( 1702 PWs) bands (ev): 9.2668 9.2668 9.3095 9.3095 9.4534 9.4534 9.5116 9.5116 10.2174 10.2174 10.7985 10.7985 11.0987 11.0987 11.5477 11.5477 11.6374 11.6374 11.8484 11.8484 13.7509 13.7509 14.4553 14.4553 15.0269 15.0269 18.3575 18.3575 19.2354 19.2354 20.4473 20.4473 22.3741 22.3741 k = 0.1837 0.2593 0.8660 ( 1700 PWs) bands (ev): 9.2621 9.2621 9.3068 9.3068 9.4601 9.4601 9.5217 9.5217 10.2468 10.2468 10.8034 10.8034 11.0896 11.0896 11.5770 11.5770 11.6410 11.6410 11.8458 11.8458 13.7232 13.7232 14.4909 14.4909 14.9897 14.9897 18.3336 18.3336 19.3517 19.3517 20.4483 20.4483 22.3538 22.3538 k = 0.1888 0.2505 0.8762 ( 1696 PWs) bands (ev): 9.2562 9.2562 9.3024 9.3024 9.4679 9.4679 9.5327 9.5327 10.2757 10.2757 10.8093 10.8093 11.0777 11.0777 11.6010 11.6010 11.6499 11.6499 11.8440 11.8440 13.6975 13.6975 14.5246 14.5246 14.9551 14.9551 18.3082 18.3082 19.4686 19.4686 20.4486 20.4486 22.3304 22.3304 k = 0.1939 0.2416 0.8864 ( 1696 PWs) bands (ev): 9.2497 9.2497 9.2969 9.2969 9.4763 9.4763 9.5436 9.5436 10.3042 10.3042 10.8159 10.8159 11.0630 11.0630 11.6172 11.6172 11.6660 11.6660 11.8427 11.8427 13.6739 13.6739 14.5563 14.5563 14.9232 14.9232 18.2820 18.2820 19.5851 19.5851 20.4485 20.4485 22.3038 22.3038 k = 0.1990 0.2328 0.8966 ( 1696 PWs) bands (ev): 9.2432 9.2432 9.2906 9.2906 9.4849 9.4849 9.5542 9.5542 10.3321 10.3321 10.8230 10.8230 11.0461 11.0461 11.6271 11.6271 11.6874 11.6874 11.8422 11.8422 13.6525 13.6525 14.5856 14.5856 14.8940 14.8940 18.2556 18.2556 19.7001 19.7001 20.4479 20.4479 22.2742 22.2742 k = 0.2041 0.2240 0.9068 ( 1696 PWs) bands (ev): 9.2368 9.2368 9.2841 9.2841 9.4933 9.4933 9.5642 9.5642 10.3596 10.3596 10.8300 10.8300 11.0276 11.0276 11.6342 11.6342 11.7100 11.7100 11.8424 11.8424 13.6334 13.6334 14.6125 14.6125 14.8674 14.8674 18.2297 18.2297 19.8126 19.8126 20.4470 20.4470 22.2418 22.2418 k = 0.2092 0.2152 0.9170 ( 1694 PWs) bands (ev): 9.2309 9.2309 9.2778 9.2778 9.5012 9.5012 9.5732 9.5732 10.3864 10.3864 10.8368 10.8368 11.0080 11.0080 11.6400 11.6400 11.7319 11.7319 11.8431 11.8431 13.6165 13.6165 14.6368 14.6368 14.8436 14.8436 18.2047 18.2047 19.9213 19.9213 20.4459 20.4459 22.2071 22.2071 k = 0.2143 0.2064 0.9272 ( 1692 PWs) bands (ev): 9.2256 9.2256 9.2717 9.2717 9.5085 9.5085 9.5813 9.5813 10.4125 10.4125 10.8426 10.8426 10.9883 10.9883 11.6451 11.6451 11.7522 11.7522 11.8443 11.8443 13.6018 13.6018 14.6581 14.6581 14.8229 14.8229 18.1813 18.1813 20.0248 20.0248 20.4446 20.4446 22.1707 22.1707 k = 0.2194 0.1975 0.9373 ( 1688 PWs) bands (ev): 9.2208 9.2208 9.2663 9.2663 9.5149 9.5149 9.5883 9.5883 10.4374 10.4374 10.8468 10.8468 10.9695 10.9695 11.6495 11.6495 11.7704 11.7704 11.8460 11.8460 13.5893 13.5893 14.6761 14.6761 14.8054 14.8054 18.1599 18.1599 20.1214 20.1214 20.4434 20.4434 22.1337 22.1337 k = 0.2245 0.1887 0.9475 ( 1686 PWs) bands (ev): 9.2167 9.2167 9.2615 9.2615 9.5205 9.5205 9.5943 9.5943 10.4608 10.4608 10.8485 10.8485 10.9528 10.9528 11.6531 11.6531 11.7863 11.7863 11.8477 11.8477 13.5789 13.5789 14.6905 14.6905 14.7915 14.7915 18.1409 18.1409 20.2092 20.2092 20.4422 20.4422 22.0973 22.0973 k = 0.2296 0.1799 0.9577 ( 1688 PWs) bands (ev): 9.2132 9.2132 9.2573 9.2573 9.5250 9.5250 9.5992 9.5992 10.4821 10.4821 10.8472 10.8472 10.9397 10.9397 11.6560 11.6560 11.7995 11.7995 11.8492 11.8492 13.5706 13.5706 14.7008 14.7008 14.7816 14.7816 18.1247 18.1247 20.2859 20.2859 20.4413 20.4413 22.0633 22.0633 k = 0.2347 0.1711 0.9679 ( 1694 PWs) bands (ev): 9.2104 9.2104 9.2539 9.2539 9.5286 9.5286 9.6030 9.6030 10.5006 10.5006 10.8429 10.8429 10.9306 10.9306 11.6582 11.6582 11.8101 11.8101 11.8506 11.8506 13.5641 13.5641 14.7069 14.7069 14.7758 14.7758 18.1118 18.1118 20.3489 20.3489 20.4409 20.4409 22.0335 22.0335 k = 0.2398 0.1623 0.9781 ( 1704 PWs) bands (ev): 9.2084 9.2084 9.2514 9.2514 9.5311 9.5311 9.6057 9.6057 10.5149 10.5149 10.8371 10.8371 10.9254 10.9254 11.6596 11.6596 11.8178 11.8178 11.8515 11.8515 13.5596 13.5596 14.7097 14.7097 14.7733 14.7733 18.1023 18.1023 20.3951 20.3951 20.4417 20.4417 22.0101 22.0101 k = 0.2449 0.1535 0.9883 ( 1704 PWs) bands (ev): 9.2072 9.2072 9.2500 9.2500 9.5326 9.5326 9.6073 9.6073 10.5243 10.5243 10.8324 10.8324 10.9230 10.9230 11.6604 11.6604 11.8225 11.8225 11.8520 11.8520 13.5569 13.5569 14.7104 14.7104 14.7727 14.7727 18.0966 18.0966 20.4205 20.4205 20.4456 20.4456 21.9952 21.9952 k = 0.2500 0.1446 0.9985 ( 1700 PWs) bands (ev): 9.2069 9.2069 9.2495 9.2495 9.5331 9.5331 9.6079 9.6079 10.5276 10.5276 10.8306 10.8306 10.9224 10.9224 11.6608 11.6608 11.8242 11.8242 11.8525 11.8525 13.5560 13.5560 14.7105 14.7105 14.7726 14.7726 18.0947 18.0947 20.4265 20.4265 20.4495 20.4495 21.9900 21.9900 k = 0.2500 0.1446 0.9985 ( 1700 PWs) bands (ev): 9.2069 9.2069 9.2495 9.2495 9.5331 9.5331 9.6079 9.6079 10.5276 10.5276 10.8306 10.8306 10.9224 10.9224 11.6608 11.6608 11.8242 11.8242 11.8525 11.8525 13.5560 13.5560 14.7105 14.7105 14.7726 14.7726 18.0947 18.0947 20.4265 20.4265 20.4495 20.4495 21.9900 21.9900 k = 0.2609 0.1509 0.9912 ( 1702 PWs) bands (ev): 9.1798 9.1798 9.2773 9.2773 9.5303 9.5303 9.6112 9.6112 10.5263 10.5263 10.8301 10.8301 10.9222 10.9222 11.6613 11.6613 11.8235 11.8235 11.8527 11.8527 13.5560 13.5560 14.6746 14.6746 14.8112 14.8112 18.0958 18.0958 20.3100 20.3100 20.5633 20.5633 21.9911 21.9911 k = 0.2717 0.1572 0.9839 ( 1703 PWs) bands (ev): 9.1397 9.1397 9.3195 9.3195 9.5229 9.5229 9.6201 9.6201 10.5226 10.5226 10.8290 10.8290 10.9217 10.9217 11.6626 11.6626 11.8212 11.8212 11.8540 11.8540 13.5558 13.5558 14.6202 14.6202 14.8734 14.8734 18.0992 18.0992 20.1808 20.1808 20.6849 20.6849 21.9937 21.9937 k = 0.2826 0.1635 0.9767 ( 1695 PWs) bands (ev): 9.0994 9.0994 9.3633 9.3633 9.5134 9.5134 9.6324 9.6324 10.5167 10.5167 10.8276 10.8276 10.9206 10.9206 11.6649 11.6649 11.8175 11.8175 11.8564 11.8564 13.5554 13.5554 14.5650 14.5650 14.9417 14.9417 18.1047 18.1047 20.0508 20.0508 20.8028 20.8028 21.9969 21.9969 k = 0.2935 0.1698 0.9694 ( 1693 PWs) bands (ev): 9.0601 9.0601 9.4071 9.4071 9.5031 9.5031 9.6466 9.6466 10.5086 10.5086 10.8255 10.8255 10.9185 10.9185 11.6678 11.6678 11.8125 11.8125 11.8597 11.8597 13.5547 13.5547 14.5110 14.5110 15.0142 15.0142 18.1123 18.1123 19.9211 19.9211 20.9162 20.9162 22.0001 22.0001 k = 0.3043 0.1761 0.9622 ( 1693 PWs) bands (ev): 9.0222 9.0222 9.4498 9.4498 9.4931 9.4931 9.6621 9.6621 10.4987 10.4987 10.8228 10.8228 10.9156 10.9156 11.6710 11.6710 11.8064 11.8064 11.8637 11.8637 13.5537 13.5537 14.4587 14.4587 15.0902 15.0902 18.1217 18.1217 19.7924 19.7924 21.0243 21.0243 22.0030 22.0030 k = 0.3152 0.1824 0.9549 ( 1695 PWs) bands (ev): 8.9862 8.9862 9.4783 9.4783 9.4966 9.4966 9.6789 9.6789 10.4873 10.4873 10.8194 10.8194 10.9117 10.9117 11.6741 11.6741 11.7998 11.7998 11.8681 11.8681 13.5523 13.5523 14.4085 14.4085 15.1692 15.1692 18.1327 18.1327 19.6654 19.6654 21.1262 21.1262 22.0051 22.0051 k = 0.3261 0.1886 0.9476 ( 1695 PWs) bands (ev): 8.9520 8.9520 9.4710 9.4710 9.5347 9.5347 9.6970 9.6970 10.4746 10.4746 10.8153 10.8153 10.9071 10.9071 11.6767 11.6767 11.7931 11.7931 11.8730 11.8730 13.5506 13.5506 14.3606 14.3606 15.2509 15.2509 18.1451 18.1451 19.5406 19.5406 21.2210 21.2210 22.0063 22.0063 k = 0.3370 0.1949 0.9404 ( 1697 PWs) bands (ev): 8.9198 8.9198 9.4620 9.4620 9.5724 9.5724 9.7168 9.7168 10.4609 10.4609 10.8103 10.8103 10.9017 10.9017 11.6781 11.6781 11.7870 11.7870 11.8782 11.8782 13.5486 13.5486 14.3151 14.3151 15.3349 15.3349 18.1585 18.1585 19.4184 19.4184 21.3079 21.3079 22.0066 22.0066 k = 0.3478 0.2012 0.9331 ( 1699 PWs) bands (ev): 8.8897 8.8897 9.4535 9.4535 9.6070 9.6070 9.7387 9.7387 10.4464 10.4464 10.8043 10.8043 10.8957 10.8957 11.6776 11.6776 11.7823 11.7823 11.8836 11.8836 13.5464 13.5464 14.2721 14.2721 15.4206 15.4206 18.1727 18.1727 19.2995 19.2995 21.3857 21.3857 22.0057 22.0057 k = 0.3587 0.2075 0.9258 ( 1697 PWs) bands (ev): 8.8621 8.8621 9.4456 9.4456 9.6376 9.6376 9.7630 9.7630 10.4315 10.4315 10.7975 10.7975 10.8894 10.8894 11.6745 11.6745 11.7796 11.7796 11.8893 11.8893 13.5441 13.5441 14.2317 14.2317 15.5076 15.5076 18.1873 18.1873 19.1844 19.1844 21.4532 21.4532 22.0038 22.0038 k = 0.3696 0.2138 0.9186 ( 1699 PWs) bands (ev): 8.8368 8.8368 9.4383 9.4383 9.6637 9.6637 9.7897 9.7897 10.4162 10.4162 10.7894 10.7894 10.8826 10.8826 11.6682 11.6682 11.7793 11.7793 11.8950 11.8950 13.5417 13.5417 14.1937 14.1937 15.5954 15.5954 18.2020 18.2020 19.0735 19.0735 21.5090 21.5090 22.0000 22.0000 k = 0.3804 0.2201 0.9113 ( 1697 PWs) bands (ev): 8.8141 8.8141 9.4318 9.4318 9.6857 9.6857 9.8180 9.8180 10.4009 10.4009 10.7805 10.7805 10.8758 10.8758 11.6588 11.6588 11.7813 11.7813 11.9007 11.9007 13.5395 13.5395 14.1582 14.1582 15.6834 15.6834 18.2165 18.2165 18.9675 18.9675 21.5517 21.5517 21.9564 21.9564 k = 0.3913 0.2264 0.9040 ( 1699 PWs) bands (ev): 8.7938 8.7938 9.4259 9.4259 9.7041 9.7041 9.8469 9.8469 10.3854 10.3854 10.7709 10.7709 10.8690 10.8690 11.6467 11.6467 11.7852 11.7852 11.9065 11.9065 13.5375 13.5375 14.1249 14.1249 15.7708 15.7708 18.2303 18.2303 18.8669 18.8669 21.5796 21.5796 21.9024 21.9024 k = 0.4022 0.2327 0.8968 ( 1700 PWs) bands (ev): 8.7762 8.7762 9.4207 9.4207 9.7194 9.7194 9.8750 9.8750 10.3702 10.3702 10.7608 10.7608 10.8622 10.8622 11.6323 11.6323 11.7905 11.7905 11.9122 11.9122 13.5359 13.5359 14.0939 14.0939 15.8568 15.8568 18.2432 18.2432 18.7725 18.7725 21.5921 21.5921 21.8602 21.8602 k = 0.4130 0.2390 0.8895 ( 1698 PWs) bands (ev): 8.7612 8.7612 9.4163 9.4163 9.7323 9.7323 9.9014 9.9014 10.3553 10.3553 10.7509 10.7509 10.8558 10.8558 11.6162 11.6162 11.7965 11.7965 11.9179 11.9179 13.5350 13.5350 14.0650 14.0650 15.9407 15.9407 18.2549 18.2549 18.6851 18.6851 21.5912 21.5912 21.8283 21.8283 k = 0.4239 0.2452 0.8822 ( 1697 PWs) bands (ev): 8.7489 8.7489 9.4125 9.4125 9.7428 9.7428 9.9251 9.9251 10.3412 10.3412 10.7415 10.7415 10.8495 10.8495 11.5986 11.5986 11.8029 11.8029 11.9234 11.9234 13.5347 13.5347 14.0379 14.0379 16.0213 16.0213 18.2652 18.2652 18.6055 18.6055 21.5814 21.5814 21.8024 21.8024 k = 0.4348 0.2515 0.8750 ( 1695 PWs) bands (ev): 8.7394 8.7394 9.4094 9.4094 9.7511 9.7511 9.9450 9.9450 10.3282 10.3282 10.7332 10.7332 10.8435 10.8435 11.5797 11.5797 11.8091 11.8091 11.9286 11.9286 13.5353 13.5353 14.0127 14.0127 16.0975 16.0975 18.2740 18.2740 18.5347 18.5347 21.5684 21.5684 21.7773 21.7773 k = 0.4457 0.2578 0.8677 ( 1698 PWs) bands (ev): 8.7327 8.7327 9.4069 9.4069 9.7571 9.7571 9.9602 9.9602 10.3168 10.3168 10.7263 10.7263 10.8379 10.8379 11.5597 11.5597 11.8150 11.8150 11.9333 11.9333 13.5369 13.5369 13.9893 13.9893 16.1680 16.1680 18.2811 18.2811 18.4739 18.4739 21.5562 21.5562 21.7492 21.7492 k = 0.4565 0.2641 0.8604 ( 1700 PWs) bands (ev): 8.7288 8.7288 9.4051 9.4051 9.7608 9.7608 9.9701 9.9701 10.3077 10.3077 10.7213 10.7213 10.8326 10.8326 11.5388 11.5388 11.8202 11.8202 11.9376 11.9376 13.5395 13.5395 13.9675 13.9675 16.2316 16.2316 18.2868 18.2868 18.4242 18.4242 21.5465 21.5465 21.7170 21.7170 k = 0.4674 0.2704 0.8532 ( 1696 PWs) bands (ev): 8.7277 8.7277 9.4039 9.4039 9.7619 9.7619 9.9742 9.9742 10.3014 10.3014 10.7189 10.7189 10.8278 10.8278 11.5170 11.5170 11.8246 11.8246 11.9414 11.9414 13.5430 13.5430 13.9474 13.9474 16.2869 16.2869 18.2912 18.2912 18.3867 18.3867 21.5373 21.5373 21.6827 21.6827 k = 0.4783 0.2767 0.8459 ( 1698 PWs) bands (ev): 8.7294 8.7294 9.4032 9.4032 9.7601 9.7601 9.9723 9.9723 10.2980 10.2980 10.7187 10.7187 10.8235 10.8235 11.4945 11.4945 11.8278 11.8278 11.9447 11.9447 13.5474 13.5474 13.9291 13.9291 16.3327 16.3327 18.2944 18.2944 18.3623 18.3623 21.5211 21.5211 21.6542 21.6542 k = 0.4891 0.2830 0.8387 ( 1696 PWs) bands (ev): 8.7339 8.7339 9.4032 9.4032 9.7552 9.7552 9.9650 9.9650 10.2974 10.2974 10.7212 10.7212 10.8198 10.8198 11.4714 11.4714 11.8297 11.8297 11.9474 11.9474 13.5524 13.5524 13.9127 13.9127 16.3683 16.3683 18.2971 18.2971 18.3513 18.3513 21.4860 21.4860 21.6434 21.6434 k = 0.5000 0.2893 0.8314 ( 1690 PWs) bands (ev): 8.7411 8.7411 9.4038 9.4038 9.7467 9.7467 9.9532 9.9532 10.2993 10.2993 10.7261 10.7261 10.8168 10.8168 11.4478 11.4478 11.8300 11.8300 11.9500 11.9500 13.5578 13.5578 13.8986 13.8986 16.3931 16.3931 18.2997 18.2997 18.3539 18.3539 21.4302 21.4302 21.6522 21.6522 k = 0.5000 0.2893 0.8314 ( 1690 PWs) bands (ev): 8.7411 8.7411 9.4038 9.4038 9.7467 9.7467 9.9532 9.9532 10.2993 10.2993 10.7261 10.7261 10.8168 10.8168 11.4478 11.4478 11.8300 11.8300 11.9500 11.9500 13.5578 13.5578 13.8986 13.8986 16.3931 16.3931 18.2997 18.2997 18.3539 18.3539 21.4302 21.4302 21.6522 21.6522 k = 0.5000 0.2893 0.8168 ( 1698 PWs) bands (ev): 8.7588 8.7588 9.4053 9.4053 9.7257 9.7257 9.9241 9.9241 10.3056 10.3056 10.7366 10.7366 10.8121 10.8121 11.3984 11.3984 11.8279 11.8279 11.9546 11.9546 13.5690 13.5690 13.8725 13.8725 16.4330 16.4330 18.3052 18.3052 18.3731 18.3731 21.2936 21.2936 21.6886 21.6886 k = 0.5000 0.2893 0.8022 ( 1702 PWs) bands (ev): 8.7768 8.7768 9.4069 9.4069 9.7042 9.7042 9.8927 9.8927 10.3138 10.3138 10.7437 10.7437 10.8098 10.8098 11.3471 11.3471 11.8252 11.8252 11.9603 11.9603 13.5808 13.5808 13.8464 13.8464 16.4747 16.4747 18.3111 18.3111 18.3938 18.3938 21.1492 21.1492 21.7230 21.7230 k = 0.5000 0.2893 0.7876 ( 1698 PWs) bands (ev): 8.7951 8.7951 9.4088 9.4088 9.6826 9.6826 9.8597 9.8597 10.3232 10.3232 10.7460 10.7460 10.8114 10.8114 11.2942 11.2942 11.8223 11.8223 11.9668 11.9668 13.5934 13.5934 13.8204 13.8204 16.5177 16.5177 18.3172 18.3172 18.4160 18.4160 21.0015 21.0015 21.7499 21.7499 k = 0.5000 0.2893 0.7730 ( 1698 PWs) bands (ev): 8.8131 8.8131 9.4107 9.4107 9.6605 9.6605 9.8258 9.8258 10.3328 10.3328 10.7432 10.7432 10.8166 10.8166 11.2403 11.2403 11.8194 11.8194 11.9739 11.9739 13.6064 13.6064 13.7948 13.7948 16.5619 16.5619 18.3235 18.3235 18.4395 18.4395 20.8522 20.8522 21.7666 21.7666 k = 0.5000 0.2893 0.7585 ( 1698 PWs) bands (ev): 8.8306 8.8306 9.4127 9.4127 9.6381 9.6381 9.7913 9.7913 10.3425 10.3425 10.7364 10.7364 10.8244 10.8244 11.1862 11.1862 11.8169 11.8169 11.9814 11.9814 13.6200 13.6200 13.7698 13.7698 16.6069 16.6069 18.3298 18.3298 18.4644 18.4644 20.7026 20.7026 21.7719 21.7719 k = 0.5000 0.2893 0.7439 ( 1698 PWs) bands (ev): 8.8475 8.8475 9.4147 9.4147 9.6155 9.6155 9.7566 9.7566 10.3518 10.3518 10.7263 10.7263 10.8330 10.8330 11.1330 11.1330 11.8151 11.8151 11.9890 11.9890 13.6338 13.6338 13.7456 13.7456 16.6523 16.6523 18.3359 18.3359 18.4906 18.4906 20.5536 20.5536 21.7660 21.7660 k = 0.5000 0.2893 0.7293 ( 1696 PWs) bands (ev): 8.8633 8.8633 9.4169 9.4169 9.5926 9.5926 9.7222 9.7222 10.3604 10.3604 10.7133 10.7133 10.8412 10.8412 11.0825 11.0825 11.8144 11.8144 11.9967 11.9967 13.6478 13.6478 13.7224 13.7224 16.6980 16.6980 18.3417 18.3417 18.5179 18.5179 20.4063 20.4063 21.7497 21.7497 k = 0.5000 0.2893 0.7147 ( 1696 PWs) bands (ev): 8.8778 8.8778 9.4187 9.4187 9.5696 9.5696 9.6885 9.6885 10.3680 10.3680 10.6967 10.6967 10.8472 10.8472 11.0373 11.0373 11.8150 11.8150 12.0042 12.0042 13.6612 13.6612 13.7009 13.7009 16.7436 16.7436 18.3468 18.3468 18.5464 18.5464 20.2616 20.2616 21.7231 21.7231 k = 0.5000 0.2893 0.7001 ( 1696 PWs) bands (ev): 8.8908 8.8908 9.4202 9.4202 9.5465 9.5465 9.6557 9.6557 10.3744 10.3744 10.6754 10.6754 10.8486 10.8486 11.0015 11.0015 11.8171 11.8171 12.0114 12.0114 13.6680 13.6680 13.6869 13.6869 16.7887 16.7887 18.3509 18.3509 18.5760 18.5760 20.1206 20.1206 21.6858 21.6858 k = 0.5000 0.2893 0.6855 ( 1696 PWs) bands (ev): 8.9021 8.9021 9.4211 9.4211 9.5237 9.5237 9.6242 9.6242 10.3795 10.3795 10.6479 10.6479 10.8425 10.8425 10.9799 10.9799 11.8211 11.8211 12.0183 12.0183 13.6534 13.6534 13.6952 13.6952 16.8332 16.8332 18.3533 18.3533 18.6065 18.6065 19.9844 19.9844 21.6377 21.6377 k = 0.5000 0.2893 0.6709 ( 1700 PWs) bands (ev): 8.9113 8.9113 9.4208 9.4208 9.5015 9.5015 9.5941 9.5941 10.3830 10.3830 10.6131 10.6131 10.8295 10.8295 10.9732 10.9732 11.8268 11.8268 12.0248 12.0248 13.6343 13.6343 13.7085 13.7085 16.8767 16.8767 18.3535 18.3535 18.6379 18.6379 19.8544 19.8544 21.5793 21.5793 k = 0.5000 0.2893 0.6564 ( 1708 PWs) bands (ev): 8.9184 8.9184 9.4180 9.4180 9.4812 9.4812 9.5656 9.5656 10.3847 10.3847 10.5709 10.5709 10.8142 10.8142 10.9775 10.9775 11.8346 11.8346 12.0307 12.0307 13.6153 13.6153 13.7221 13.7221 16.9190 16.9190 18.3507 18.3507 18.6701 18.6701 19.7319 19.7319 21.5118 21.5118 k = 0.5000 0.2893 0.6418 ( 1706 PWs) bands (ev): 8.9232 8.9232 9.4105 9.4105 9.4654 9.4654 9.5390 9.5390 10.3846 10.3846 10.5230 10.5230 10.8004 10.8004 10.9884 10.9884 11.8446 11.8446 12.0360 12.0360 13.5969 13.5969 13.7351 13.7351 16.9598 16.9598 18.3440 18.3440 18.7031 18.7031 19.6187 19.6187 21.4365 21.4365 k = 0.5000 0.2893 0.6272 ( 1710 PWs) bands (ev): 8.9257 8.9257 9.3963 9.3963 9.4555 9.4555 9.5143 9.5143 10.3816 10.3816 10.4720 10.4720 10.7889 10.7889 11.0029 11.0029 11.8565 11.8565 12.0406 12.0406 13.5790 13.5790 13.7471 13.7471 16.9988 16.9988 18.3323 18.3323 18.7366 18.7366 19.5162 19.5162 21.3548 21.3548 k = 0.5000 0.2893 0.6126 ( 1710 PWs) bands (ev): 8.9257 8.9257 9.3772 9.3772 9.4503 9.4503 9.4916 9.4916 10.3718 10.3718 10.4234 10.4234 10.7801 10.7801 11.0199 11.0199 11.8705 11.8705 12.0446 12.0446 13.5615 13.5615 13.7579 13.7579 17.0358 17.0358 18.3148 18.3148 18.7708 18.7708 19.4262 19.4262 21.2680 21.2680 k = 0.5000 0.2893 0.5980 ( 1710 PWs) bands (ev): 8.9234 8.9234 9.3557 9.3557 9.4464 9.4464 9.4713 9.4713 10.3397 10.3397 10.3943 10.3943 10.7736 10.7736 11.0386 11.0386 11.8862 11.8862 12.0479 12.0479 13.5444 13.5444 13.7668 13.7668 17.0706 17.0706 18.2908 18.2908 18.8053 18.8053 19.3500 19.3500 21.1772 21.1772 k = 0.5000 0.2893 0.5834 ( 1708 PWs) bands (ev): 8.9188 8.9188 9.3338 9.3338 9.4399 9.4399 9.4556 9.4556 10.2884 10.2884 10.3829 10.3829 10.7689 10.7689 11.0585 11.0585 11.9036 11.9036 12.0505 12.0505 13.5273 13.5273 13.7737 13.7737 17.1030 17.1030 18.2603 18.2603 18.8402 18.8402 19.2885 19.2885 21.0838 21.0838 k = 0.5000 0.2893 0.5688 ( 1708 PWs) bands (ev): 8.9120 8.9120 9.3121 9.3121 9.4264 9.4264 9.4477 9.4477 10.2334 10.2334 10.3745 10.3745 10.7656 10.7656 11.0795 11.0795 11.9223 11.9223 12.0523 12.0523 13.5103 13.5103 13.7778 13.7778 17.1327 17.1327 18.2239 18.2239 18.8754 18.8754 19.2416 19.2416 20.9887 20.9887 k = 0.5000 0.2893 0.5543 ( 1702 PWs) bands (ev): 8.9031 8.9031 9.2914 9.2914 9.4103 9.4103 9.4427 9.4427 10.1789 10.1789 10.3661 10.3661 10.7639 10.7639 11.1008 11.1008 11.9422 11.9422 12.0538 12.0538 13.4932 13.4932 13.7787 13.7787 17.1597 17.1597 18.1834 18.1834 18.9107 18.9107 19.2086 19.2086 20.8929 20.8929 k = 0.5000 0.2893 0.5397 ( 1702 PWs) bands (ev): 8.8923 8.8923 9.2718 9.2718 9.3942 9.3942 9.4370 9.4370 10.1263 10.1263 10.3571 10.3571 10.7635 10.7635 11.1224 11.1224 11.9626 11.9626 12.0548 12.0548 13.4756 13.4756 13.7758 13.7758 17.1838 17.1838 18.1409 18.1409 18.9460 18.9460 19.1881 19.1881 20.7973 20.7973 k = 0.5000 0.2893 0.5251 ( 1702 PWs) bands (ev): 8.8798 8.8798 9.2537 9.2537 9.3785 9.3785 9.4298 9.4298 10.0767 10.0767 10.3475 10.3475 10.7643 10.7643 11.1440 11.1440 11.9828 11.9828 12.0558 12.0558 13.4575 13.4575 13.7685 13.7685 17.2048 17.2048 18.0989 18.0989 18.9812 18.9812 19.1783 19.1783 20.7027 20.7027 k = 0.5000 0.2893 0.5105 ( 1704 PWs) bands (ev): 8.8655 8.8655 9.2372 9.2372 9.3629 9.3629 9.4206 9.4206 10.0310 10.0310 10.3372 10.3372 10.7664 10.7664 11.1654 11.1654 12.0013 12.0013 12.0581 12.0581 13.4387 13.4387 13.7563 13.7563 17.2228 17.2228 18.0600 18.0600 19.0163 19.0163 19.1775 19.1775 20.6098 20.6098 k = 0.5000 0.2893 0.4959 ( 1704 PWs) bands (ev): 8.8500 8.8500 9.2225 9.2225 9.3468 9.3468 9.4097 9.4097 9.9899 9.9899 10.3264 10.3264 10.7696 10.7696 11.1864 11.1864 12.0151 12.0151 12.0645 12.0645 13.4190 13.4190 13.7386 13.7386 17.2376 17.2376 18.0264 18.0264 19.0510 19.0510 19.1840 19.1840 20.5192 20.5192 k = 0.5000 0.2893 0.4813 ( 1704 PWs) bands (ev): 8.8333 8.8333 9.2097 9.2097 9.3292 9.3292 9.3975 9.3975 9.9540 9.9540 10.3153 10.3153 10.7739 10.7739 11.2068 11.2068 12.0214 12.0214 12.0774 12.0774 13.3982 13.3982 13.7151 13.7151 17.2493 17.2493 18.0002 18.0002 19.0854 19.0854 19.1964 19.1964 20.4316 20.4316 k = 0.5000 0.2893 0.4667 ( 1700 PWs) bands (ev): 8.8157 8.8157 9.1988 9.1988 9.3087 9.3087 9.3855 9.3855 9.9237 9.9237 10.3039 10.3039 10.7794 10.7794 11.2265 11.2265 12.0215 12.0215 12.0953 12.0953 13.3761 13.3761 13.6855 13.6855 17.2579 17.2579 17.9828 17.9828 19.1193 19.1193 19.2137 19.2137 20.3474 20.3474 k = 0.5000 0.2893 0.4522 ( 1704 PWs) bands (ev): 8.7971 8.7971 9.1898 9.1898 9.2840 9.2840 9.3749 9.3749 9.8990 9.8990 10.2924 10.2924 10.7859 10.7859 11.2450 11.2450 12.0180 12.0180 12.1148 12.1148 13.3525 13.3525 13.6496 13.6496 17.2633 17.2633 17.9754 17.9754 19.1527 19.1527 19.2348 19.2348 20.2671 20.2671 k = 0.5000 0.2893 0.4376 ( 1700 PWs) bands (ev): 8.7777 8.7777 9.1828 9.1828 9.2548 9.2548 9.3668 9.3668 9.8796 9.8796 10.2812 10.2812 10.7936 10.7936 11.2627 11.2627 12.0124 12.0124 12.1348 12.1348 13.3272 13.3272 13.6077 13.6077 17.2658 17.2658 17.9790 17.9790 19.1856 19.1856 19.2590 19.2590 20.1911 20.1911 k = 0.5000 0.2893 0.4230 ( 1700 PWs) bands (ev): 8.7578 8.7578 9.1770 9.1770 9.2221 9.2221 9.3614 9.3614 9.8651 9.8651 10.2701 10.2701 10.8023 10.8023 11.2790 11.2790 12.0053 12.0053 12.1538 12.1538 13.2996 13.2996 13.5601 13.5601 17.2655 17.2655 17.9938 17.9938 19.2178 19.2178 19.2856 19.2856 20.1199 20.1199 k = 0.5000 0.2893 0.4084 ( 1700 PWs) bands (ev): 8.7374 8.7374 9.1667 9.1667 9.1925 9.1925 9.3587 9.3587 9.8549 9.8549 10.2593 10.2593 10.8121 10.8121 11.2940 11.2940 11.9969 11.9969 12.1714 12.1714 13.2692 13.2692 13.5077 13.5077 17.2624 17.2624 18.0203 18.0203 19.2495 19.2495 19.3141 19.3141 20.0536 20.0536 k = 0.5000 0.2893 0.3938 ( 1696 PWs) bands (ev): 8.7167 8.7167 9.1355 9.1355 9.1832 9.1832 9.3586 9.3586 9.8483 9.8483 10.2490 10.2490 10.8231 10.8231 11.3076 11.3076 11.9876 11.9876 12.1868 12.1868 13.2349 13.2349 13.4522 13.4522 17.2568 17.2568 18.0582 18.0582 19.2804 19.2804 19.3440 19.3440 19.9925 19.9925 k = 0.5000 0.2893 0.3792 ( 1700 PWs) bands (ev): 8.6957 8.6957 9.0947 9.0947 9.1841 9.1841 9.3609 9.3609 9.8443 9.8443 10.2393 10.2393 10.8349 10.8349 11.3198 11.3198 11.9769 11.9769 12.1997 12.1997 13.1949 13.1949 13.3960 13.3960 17.2488 17.2488 18.1073 18.1073 19.3106 19.3106 19.3751 19.3751 19.9369 19.9369 k = 0.5000 0.2893 0.3646 ( 1698 PWs) bands (ev): 8.6746 8.6746 9.0515 9.0515 9.1885 9.1885 9.3657 9.3657 9.8429 9.8429 10.2303 10.2303 10.8477 10.8477 11.3306 11.3306 11.9655 11.9655 12.2097 12.2097 13.1468 13.1468 13.3423 13.3423 17.2386 17.2386 18.1672 18.1672 19.3397 19.3397 19.4071 19.4071 19.8870 19.8870 k = 0.5000 0.2893 0.3501 ( 1694 PWs) bands (ev): 8.6535 8.6535 9.0075 9.0075 9.1957 9.1957 9.3728 9.3728 9.8433 9.8433 10.2222 10.2222 10.8615 10.8615 11.3398 11.3398 11.9530 11.9530 12.2163 12.2163 13.0885 13.0885 13.2943 13.2943 17.2264 17.2264 18.2372 18.2372 19.3678 19.3678 19.4397 19.4397 19.8428 19.8428 k = 0.5000 0.2893 0.3355 ( 1694 PWs) bands (ev): 8.6324 8.6324 8.9633 8.9633 9.2054 9.2054 9.3823 9.3823 9.8451 9.8451 10.2150 10.2150 10.8762 10.8762 11.3473 11.3473 11.9397 11.9397 12.2187 12.2187 13.0196 13.0196 13.2534 13.2534 17.2124 17.2124 18.3165 18.3165 19.3945 19.3945 19.4729 19.4729 19.8046 19.8046 k = 0.5000 0.2893 0.3209 ( 1694 PWs) bands (ev): 8.6114 8.6114 8.9193 8.9193 9.2174 9.2174 9.3940 9.3940 9.8481 9.8481 10.2090 10.2090 10.8918 10.8918 11.3533 11.3533 11.9255 11.9255 12.2166 12.2166 12.9416 12.9416 13.2192 13.2192 17.1969 17.1969 18.4044 18.4044 19.4199 19.4199 19.5061 19.5061 19.7725 19.7725 k = 0.5000 0.2893 0.3063 ( 1696 PWs) bands (ev): 8.5906 8.5906 8.8759 8.8759 9.2317 9.2317 9.4079 9.4079 9.8519 9.8519 10.2041 10.2041 10.9083 10.9083 11.3575 11.3575 11.9104 11.9104 12.2096 12.2096 12.8568 12.8568 13.1905 13.1905 17.1801 17.1801 18.4998 18.4998 19.4436 19.4436 19.5391 19.5391 19.7471 19.7471 k = 0.5000 0.2893 0.2917 ( 1696 PWs) bands (ev): 8.5702 8.5702 8.8336 8.8336 9.2482 9.2482 9.4240 9.4240 9.8564 9.8564 10.2005 10.2005 10.9256 10.9256 11.3601 11.3601 11.8946 11.8946 12.1974 12.1974 12.7674 12.7674 13.1665 13.1665 17.1622 17.1622 18.6019 18.6019 19.4657 19.4657 19.5708 19.5708 19.7291 19.7291 k = 0.5000 0.2893 0.2771 ( 1694 PWs) bands (ev): 8.5502 8.5502 8.7925 8.7925 9.2667 9.2667 9.4423 9.4423 9.8615 9.8615 10.1983 10.1983 10.9438 10.9438 11.3609 11.3609 11.8779 11.8779 12.1797 12.1797 12.6751 12.6751 13.1464 13.1464 17.1435 17.1435 18.7093 18.7093 19.4859 19.4859 19.5994 19.5994 19.7207 19.7207 k = 0.5000 0.2893 0.2625 ( 1690 PWs) bands (ev): 8.5307 8.5307 8.7528 8.7528 9.2870 9.2870 9.4627 9.4627 9.8670 9.8670 10.1975 10.1975 10.9628 10.9628 11.3599 11.3599 11.8604 11.8604 12.1565 12.1565 12.5812 12.5812 13.1301 13.1301 17.1241 17.1241 18.8209 18.8209 19.5039 19.5039 19.6216 19.6216 19.7253 19.7253 k = 0.5000 0.2893 0.2480 ( 1692 PWs) bands (ev): 8.5118 8.5118 8.7145 8.7145 9.3088 9.3088 9.4851 9.4851 9.8730 9.8730 10.1980 10.1980 10.9825 10.9825 11.3570 11.3570 11.8419 11.8419 12.1279 12.1279 12.4870 12.4870 13.1171 13.1171 17.1043 17.1043 18.9350 18.9350 19.5198 19.5198 19.6355 19.6355 19.7451 19.7451 k = 0.5000 0.2893 0.2334 ( 1696 PWs) bands (ev): 8.4935 8.4935 8.6779 8.6779 9.3319 9.3319 9.5095 9.5095 9.8795 9.8795 10.2001 10.2001 11.0026 11.0026 11.3517 11.3517 11.8226 11.8226 12.0936 12.0936 12.3941 12.3941 13.1072 13.1072 17.0843 17.0843 19.0499 19.0499 19.5335 19.5335 19.6442 19.6442 19.7775 19.7775 k = 0.5000 0.2893 0.2188 ( 1690 PWs) bands (ev): 8.4760 8.4760 8.6430 8.6430 9.3561 9.3561 9.5361 9.5361 9.8868 9.8868 10.2039 10.2039 11.0235 11.0235 11.3442 11.3442 11.8025 11.8025 12.0541 12.0541 12.3038 12.3038 13.1000 13.1000 17.0644 17.0644 19.1633 19.1633 19.5452 19.5452 19.6517 19.6517 19.8192 19.8192 k = 0.5000 0.2893 0.2042 ( 1690 PWs) bands (ev): 8.4593 8.4593 8.6100 8.6100 9.3805 9.3805 9.5647 9.5647 9.8945 9.8945 10.2091 10.2091 11.0449 11.0449 11.3337 11.3337 11.7812 11.7812 12.0088 12.0088 12.2181 12.2181 13.0952 13.0952 17.0447 17.0447 19.2721 19.2721 19.5555 19.5555 19.6600 19.6600 19.8693 19.8693 k = 0.5000 0.2893 0.1896 ( 1690 PWs) bands (ev): 8.4434 8.4434 8.5790 8.5790 9.4050 9.4050 9.5953 9.5953 9.9030 9.9030 10.2159 10.2159 11.0669 11.0669 11.3201 11.3201 11.7589 11.7589 11.9576 11.9576 12.1393 12.1393 13.0923 13.0923 17.0254 17.0254 19.3728 19.3728 19.5651 19.5651 19.6694 19.6694 19.9288 19.9288 k = 0.5000 0.2893 0.1750 ( 1686 PWs) bands (ev): 8.4285 8.4285 8.5500 8.5500 9.4288 9.4288 9.6279 9.6279 9.9121 9.9121 10.2243 10.2243 11.0893 11.0893 11.3026 11.3026 11.7353 11.7353 11.9007 11.9007 12.0695 12.0695 13.0911 13.0911 17.0068 17.0068 19.4616 19.4616 19.5750 19.5750 19.6795 19.6795 19.9995 19.9995 k = 0.5000 0.2893 0.1604 ( 1684 PWs) bands (ev): 8.4147 8.4147 8.5233 8.5233 9.4514 9.4514 9.6624 9.6624 9.9220 9.9220 10.2344 10.2344 11.1122 11.1122 11.2806 11.2806 11.7102 11.7102 11.8390 11.8390 12.0094 12.0094 13.0912 13.0912 16.9890 16.9890 19.5332 19.5332 19.5881 19.5881 19.6901 19.6901 20.0823 20.0823 k = 0.5000 0.2893 0.1459 ( 1688 PWs) bands (ev): 8.4018 8.4018 8.4986 8.4986 9.4724 9.4724 9.6986 9.6986 9.9326 9.9326 10.2462 10.2462 11.1353 11.1353 11.2535 11.2535 11.6835 11.6835 11.7754 11.7754 11.9585 11.9585 13.0921 13.0921 16.9721 16.9721 19.5740 19.5740 19.6180 19.6180 19.7008 19.7008 20.1760 20.1760 k = 0.5000 0.2893 0.1313 ( 1688 PWs) bands (ev): 8.3899 8.3899 8.4761 8.4761 9.4914 9.4914 9.7361 9.7361 9.9436 9.9436 10.2596 10.2596 11.1589 11.1589 11.2208 11.2208 11.6554 11.6554 11.7135 11.7135 11.9157 11.9157 13.0938 13.0938 16.9564 16.9564 19.5887 19.5887 19.6609 19.6609 19.7117 19.7117 20.2780 20.2780 k = 0.5000 0.2893 0.1167 ( 1688 PWs) bands (ev): 8.3793 8.3793 8.4559 8.4559 9.5082 9.5082 9.7745 9.7745 9.9550 9.9550 10.2748 10.2748 11.1823 11.1823 11.1828 11.1828 11.6258 11.6258 11.6560 11.6560 11.8796 11.8796 13.0959 13.0959 16.9419 16.9419 19.5981 19.5981 19.6967 19.6967 19.7239 19.7239 20.3843 20.3843 k = 0.5000 0.2893 0.1021 ( 1688 PWs) bands (ev): 8.3697 8.3697 8.4379 8.4379 9.5227 9.5227 9.8129 9.8129 9.9663 9.9663 10.2915 10.2915 11.1389 11.1389 11.2068 11.2068 11.5935 11.5935 11.6061 11.6061 11.8497 11.8497 13.0981 13.0981 16.9288 16.9288 19.6059 19.6059 19.7194 19.7194 19.7417 19.7417 20.4909 20.4909 k = 0.5000 0.2893 0.0875 ( 1696 PWs) bands (ev): 8.3612 8.3612 8.4223 8.4223 9.5350 9.5350 9.8502 9.8502 9.9775 9.9775 10.3096 10.3096 11.0918 11.0918 11.2308 11.2308 11.5534 11.5534 11.5700 11.5700 11.8249 11.8249 13.1004 13.1004 16.9173 16.9173 19.6128 19.6128 19.7311 19.7311 19.7634 19.7634 20.5941 20.5941 k = 0.5000 0.2893 0.0729 ( 1692 PWs) bands (ev): 8.3541 8.3541 8.4091 8.4091 9.5450 9.5450 9.8851 9.8851 9.9884 9.9884 10.3286 10.3286 11.0432 11.0432 11.2549 11.2549 11.5142 11.5142 11.5404 11.5404 11.8051 11.8051 13.1026 13.1026 16.9073 16.9073 19.6188 19.6188 19.7392 19.7392 19.7827 19.7827 20.6905 20.6905 k = 0.5000 0.2893 0.0583 ( 1692 PWs) bands (ev): 8.3483 8.3483 8.3982 8.3982 9.5530 9.5530 9.9159 9.9159 9.9988 9.9988 10.3478 10.3478 10.9960 10.9960 11.2788 11.2788 11.4804 11.4804 11.5129 11.5129 11.7897 11.7897 13.1045 13.1045 16.8991 16.8991 19.6238 19.6238 19.7455 19.7455 19.7983 19.7983 20.7763 20.7763 k = 0.5000 0.2893 0.0438 ( 1696 PWs) bands (ev): 8.3435 8.3435 8.3897 8.3897 9.5590 9.5590 9.9405 9.9405 10.0089 10.0089 10.3660 10.3660 10.9533 10.9533 11.3022 11.3022 11.4522 11.4522 11.4879 11.4879 11.7780 11.7780 13.1061 13.1061 16.8926 16.8926 19.6278 19.6278 19.7503 19.7503 19.8102 19.8102 20.8482 20.8482 k = 0.5000 0.2893 0.0292 ( 1700 PWs) bands (ev): 8.3402 8.3402 8.3837 8.3837 9.5631 9.5631 9.9578 9.9578 10.0181 10.0181 10.3816 10.3816 10.9187 10.9187 11.3244 11.3244 11.4294 11.4294 11.4666 11.4666 11.7698 11.7698 13.1073 13.1073 16.8879 16.8879 19.6306 19.6306 19.7538 19.7538 19.8185 19.8185 20.9026 20.9026 k = 0.5000 0.2893 0.0146 ( 1712 PWs) bands (ev): 8.3381 8.3381 8.3800 8.3800 9.5655 9.5655 9.9674 9.9674 10.0248 10.0248 10.3921 10.3921 10.8959 10.8959 11.3433 11.3433 11.4119 11.4119 11.4516 11.4516 11.7650 11.7650 13.1077 13.1077 16.8850 16.8850 19.6324 19.6324 19.7559 19.7559 19.8234 19.8234 20.9366 20.9366 k = 0.5000 0.2893-0.0000 ( 1716 PWs) bands (ev): 8.3373 8.3373 8.3787 8.3787 9.5663 9.5663 9.9704 9.9704 10.0273 10.0273 10.3959 10.3959 10.8879 10.8879 11.3523 11.3523 11.4039 11.4039 11.4461 11.4461 11.7634 11.7634 13.1078 13.1078 16.8841 16.8841 19.6330 19.6330 19.7566 19.7566 19.8250 19.8250 20.9482 20.9482 k = 0.0000 0.0000 0.9985 ( 1702 PWs) bands (ev): 8.6261 8.6261 9.3943 9.3943 9.9284 9.9284 10.0005 10.0005 10.4272 10.4272 10.5447 10.5447 10.8662 10.8662 11.7550 11.7550 11.8144 11.8144 11.9451 11.9451 13.4923 13.4923 14.0840 14.0840 16.1446 16.1446 18.2407 18.2407 18.2735 18.2735 21.2228 21.2228 21.9898 21.9898 k = 0.0125 0.0072 0.9985 ( 1702 PWs) bands (ev): 8.6279 8.6279 9.3947 9.3947 9.9261 9.9261 9.9975 9.9975 10.4276 10.4276 10.5478 10.5478 10.8666 10.8666 11.7547 11.7547 11.8144 11.8144 11.9442 11.9442 13.4928 13.4928 14.0854 14.0854 16.1362 16.1362 18.2501 18.2501 18.2731 18.2731 21.2298 21.2298 21.9898 21.9898 k = 0.0250 0.0145 0.9985 ( 1702 PWs) bands (ev): 8.6331 8.6331 9.3958 9.3958 9.9194 9.9194 9.9885 9.9885 10.4288 10.4288 10.5565 10.5565 10.8675 10.8675 11.7538 11.7538 11.8143 11.8143 11.9418 11.9418 13.4941 13.4941 14.0899 14.0899 16.1116 16.1116 18.2636 18.2636 18.2863 18.2863 21.2507 21.2507 21.9898 21.9898 k = 0.0375 0.0217 0.9985 ( 1702 PWs) bands (ev): 8.6418 8.6418 9.3977 9.3977 9.9084 9.9084 9.9740 9.9740 10.4314 10.4314 10.5701 10.5701 10.8692 10.8692 11.7522 11.7522 11.8142 11.8142 11.9378 11.9378 13.4962 13.4962 14.0973 14.0973 16.0721 16.0721 18.2591 18.2591 18.3337 18.3337 21.2852 21.2852 21.9897 21.9897 k = 0.0500 0.0289 0.9985 ( 1700 PWs) bands (ev): 8.6539 8.6539 9.4004 9.4004 9.8934 9.8934 9.9548 9.9548 10.4353 10.4353 10.5872 10.5872 10.8714 10.8714 11.7499 11.7499 11.8141 11.8141 11.9326 11.9326 13.4991 13.4991 14.1077 14.1077 16.0199 16.0199 18.2507 18.2507 18.3996 18.3996 21.3328 21.3328 21.9897 21.9897 k = 0.0625 0.0362 0.9985 ( 1696 PWs) bands (ev): 8.6694 8.6694 9.4041 9.4041 9.8745 9.8745 9.9317 9.9317 10.4407 10.4407 10.6068 10.6068 10.8742 10.8742 11.7468 11.7468 11.8141 11.8141 11.9264 11.9264 13.5027 13.5027 14.1212 14.1212 15.9572 15.9572 18.2403 18.2403 18.4803 18.4803 21.3928 21.3928 21.9896 21.9896 k = 0.0750 0.0434 0.9985 ( 1696 PWs) bands (ev): 8.6882 8.6882 9.4083 9.4083 9.8516 9.8516 9.9059 9.9059 10.4472 10.4472 10.6280 10.6280 10.8775 10.8775 11.7429 11.7429 11.8141 11.8141 11.9193 11.9193 13.5068 13.5068 14.1379 14.1379 15.8861 15.8861 18.2283 18.2283 18.5733 18.5733 21.4644 21.4644 21.9894 21.9894 k = 0.0875 0.0506 0.9985 ( 1696 PWs) bands (ev): 8.7102 8.7102 9.4133 9.4133 9.8246 9.8246 9.8789 9.8789 10.4547 10.4547 10.6501 10.6501 10.8811 10.8811 11.7381 11.7381 11.8142 11.8142 11.9118 11.9118 13.5113 13.5113 14.1577 14.1577 15.8088 15.8088 18.2152 18.2152 18.6767 18.6767 21.5465 21.5465 21.9890 21.9890 k = 0.1000 0.0579 0.9985 ( 1696 PWs) bands (ev): 8.7354 8.7354 9.4193 9.4193 9.7930 9.7930 9.8518 9.8518 10.4627 10.4627 10.6724 10.6724 10.8850 10.8850 11.7323 11.7323 11.8144 11.8144 11.9041 11.9041 13.5161 13.5161 14.1809 14.1809 15.7270 15.7270 18.2015 18.2015 18.7886 18.7886 21.6378 21.6378 21.9850 21.9850 k = 0.1125 0.0651 0.9985 ( 1700 PWs) bands (ev): 8.7635 8.7635 9.4259 9.4259 9.7572 9.7572 9.8252 9.8252 10.4710 10.4710 10.6941 10.6941 10.8892 10.8892 11.7257 11.7257 11.8148 11.8148 11.8966 11.8966 13.5211 13.5211 14.2075 14.2075 15.6421 15.6421 18.1875 18.1875 18.9075 18.9075 21.7348 21.7348 21.9117 21.9117 k = 0.1250 0.0723 0.9985 ( 1692 PWs) bands (ev): 8.7946 8.7946 9.4337 9.4337 9.7177 9.7177 9.7994 9.7994 10.4794 10.4794 10.7155 10.7155 10.8937 10.8937 11.7184 11.7184 11.8154 11.8154 11.8895 11.8895 13.5261 13.5261 14.2375 14.2375 15.5554 15.5554 18.1737 18.1737 19.0324 19.0324 21.7766 21.7766 21.8666 21.8666 k = 0.1375 0.0795 0.9985 ( 1692 PWs) bands (ev): 8.8284 8.8284 9.4421 9.4421 9.6750 9.6750 9.7743 9.7743 10.4875 10.4875 10.7357 10.7357 10.8981 10.8981 11.7105 11.7105 11.8161 11.8161 11.8829 11.8829 13.5310 13.5310 14.2711 14.2711 15.4679 15.4679 18.1603 18.1603 19.1620 19.1620 21.6705 21.6705 21.9641 21.9641 k = 0.1500 0.0868 0.9985 ( 1692 PWs) bands (ev): 8.8648 8.8648 9.4513 9.4513 9.6299 9.6299 9.7498 9.7498 10.4952 10.4952 10.7546 10.7546 10.9024 10.9024 11.7024 11.7024 11.8170 11.8170 11.8769 11.8769 13.5357 13.5357 14.3083 14.3083 15.3804 15.3804 18.1476 18.1476 19.2956 19.2956 21.5482 21.5482 21.9889 21.9889 k = 0.1625 0.0940 0.9985 ( 1688 PWs) bands (ev): 8.9037 8.9037 9.4613 9.4613 9.5829 9.5829 9.7262 9.7262 10.5023 10.5023 10.7718 10.7718 10.9066 10.9066 11.6943 11.6943 11.8180 11.8180 11.8715 11.8715 13.5401 13.5401 14.3492 14.3492 15.2936 15.2936 18.1359 18.1359 19.4325 19.4325 21.4199 21.4199 21.9897 21.9897 k = 0.1750 0.1012 0.9985 ( 1692 PWs) bands (ev): 8.9446 8.9446 9.4719 9.4719 9.5347 9.5347 9.7033 9.7033 10.5088 10.5088 10.7870 10.7870 10.9104 10.9104 11.6863 11.6863 11.8189 11.8189 11.8667 11.8667 13.5441 13.5441 14.3938 14.3938 15.2081 15.2081 18.1254 18.1254 19.5720 19.5720 21.2873 21.2873 21.9898 21.9898 k = 0.1875 0.1085 0.9985 ( 1694 PWs) bands (ev): 8.9878 8.9878 9.4788 9.4788 9.4897 9.4897 9.6813 9.6813 10.5143 10.5143 10.8001 10.8001 10.9139 10.9139 11.6791 11.6791 11.8201 11.8201 11.8625 11.8625 13.5476 13.5476 14.4420 14.4420 15.1243 15.1243 18.1163 18.1163 19.7136 19.7136 21.1511 21.1511 21.9899 21.9899 k = 0.2000 0.1157 0.9985 ( 1694 PWs) bands (ev): 9.0327 9.0327 9.4336 9.4336 9.4966 9.4966 9.6606 9.6606 10.5190 10.5190 10.8111 10.8111 10.9169 10.9169 11.6728 11.6728 11.8212 11.8212 11.8590 11.8590 13.5506 13.5506 14.4940 14.4940 15.0429 15.0429 18.1086 18.1086 19.8569 19.8569 21.0121 21.0121 21.9900 21.9900 k = 0.2125 0.1229 0.9985 ( 1702 PWs) bands (ev): 9.0790 9.0790 9.3830 9.3830 9.5085 9.5085 9.6416 9.6416 10.5227 10.5227 10.8194 10.8194 10.9192 10.9192 11.6676 11.6676 11.8223 11.8223 11.8561 11.8561 13.5529 13.5529 14.5495 14.5495 14.9641 14.9641 18.1025 18.1025 20.0013 20.0013 20.8708 20.8708 21.9900 21.9900 k = 0.2250 0.1302 0.9985 ( 1702 PWs) bands (ev): 9.1265 9.1265 9.3325 9.3325 9.5201 9.5201 9.6251 9.6251 10.5254 10.5254 10.8257 10.8257 10.9209 10.9209 11.6637 11.6637 11.8232 11.8232 11.8540 11.8540 13.5547 13.5547 14.6081 14.6081 14.8886 14.8886 18.0982 18.0982 20.1464 20.1464 20.7279 20.7279 21.9900 21.9900 k = 0.2375 0.1374 0.9985 ( 1704 PWs) bands (ev): 9.1736 9.1736 9.2834 9.2834 9.5293 9.5293 9.6127 9.6127 10.5270 10.5270 10.8293 10.8293 10.9220 10.9220 11.6615 11.6615 11.8239 11.8239 11.8526 11.8526 13.5557 13.5557 14.6682 14.6682 14.8183 14.8183 18.0955 18.0955 20.2917 20.2917 20.5839 20.5839 21.9900 21.9900 k = 0.2500 0.1446 0.9985 ( 1700 PWs) bands (ev): 9.2069 9.2069 9.2495 9.2495 9.5331 9.5331 9.6079 9.6079 10.5276 10.5276 10.8306 10.8306 10.9224 10.9224 11.6608 11.6608 11.8242 11.8242 11.8525 11.8525 13.5560 13.5560 14.7105 14.7105 14.7726 14.7726 18.0947 18.0947 20.4265 20.4265 20.4495 20.4495 21.9900 21.9900 Writing output data file ZrAg2.save init_run : 0.09s CPU 0.20s WALL ( 1 calls) electrons : 88.34s CPU 89.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.01s WALL ( 1 calls) Called by electrons: c_bands : 88.33s CPU 89.88s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.03s WALL ( 442 calls) cegterg : 77.77s CPU 78.87s WALL ( 442 calls) Called by sum_band: Called by *egterg: h_psi : 54.26s CPU 55.06s WALL ( 6819 calls) s_psi : 1.50s CPU 1.54s WALL ( 6819 calls) g_psi : 0.10s CPU 0.08s WALL ( 5935 calls) cdiaghg : 25.99s CPU 26.51s WALL ( 6377 calls) cegterg:over : 1.96s CPU 2.00s WALL ( 5935 calls) cegterg:upda : 1.31s CPU 1.28s WALL ( 5935 calls) cegterg:last : 0.76s CPU 0.80s WALL ( 1333 calls) cdiaghg:chol : 1.26s CPU 1.31s WALL ( 6377 calls) cdiaghg:inve : 0.70s CPU 0.72s WALL ( 6377 calls) cdiaghg:para : 1.50s CPU 1.53s WALL ( 12754 calls) Called by h_psi: h_psi:vloc : 50.15s CPU 50.99s WALL ( 6819 calls) h_psi:vnl : 4.04s CPU 4.03s WALL ( 6819 calls) add_vuspsi : 2.10s CPU 2.17s WALL ( 6819 calls) General routines calbec : 1.92s CPU 1.84s WALL ( 6819 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 47.54s CPU 48.37s WALL ( 628792 calls) davcio : 0.14s CPU 0.15s WALL ( 884 calls) Parallel routines fft_scatter : 17.21s CPU 17.55s WALL ( 628807 calls) PWSCF : 1m38.96s CPU 2m 0.49s WALL This run was terminated on: 18:18:45 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=