Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:30:11 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: ./ZrAu2.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 72 34 10 1498 483 79 Max 73 35 11 1501 495 81 Sum 2615 1237 371 53985 17537 2881 bravais-lattice index = 14 lattice parameter (alat) = 9.4936 a.u. unit-cell volume = 366.9651 (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 = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.493573 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.752856 celldm(5)= -0.752856 celldm(6)= 0.505712 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.505712 0.862702 0.000000 ) a(3) = ( -0.752856 -0.431351 0.497136 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.586196 1.005762 ) b(2) = ( 0.000000 1.159149 1.005762 ) b(3) = ( 0.000000 0.000000 2.011524 ) 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 Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd 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 1279 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) Au 11.00 196.96660 Au( 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= 408 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0000000 0.0000000 0.0159645), wk = 0.0024510 k( 3) = ( 0.0000000 0.0000000 0.0319290), wk = 0.0024510 k( 4) = ( 0.0000000 0.0000000 0.0478934), wk = 0.0024510 k( 5) = ( 0.0000000 0.0000000 0.0638579), wk = 0.0024510 k( 6) = ( 0.0000000 0.0000000 0.0798224), wk = 0.0024510 k( 7) = ( 0.0000000 0.0000000 0.0957868), wk = 0.0024510 k( 8) = ( 0.0000000 0.0000000 0.1117513), wk = 0.0024510 k( 9) = ( 0.0000000 0.0000000 0.1277158), wk = 0.0024510 k( 10) = ( 0.0000000 0.0000000 0.1436803), wk = 0.0024510 k( 11) = ( 0.0000000 0.0000000 0.1596447), wk = 0.0024510 k( 12) = ( 0.0000000 0.0000000 0.1756092), wk = 0.0024510 k( 13) = ( 0.0000000 0.0000000 0.1915737), wk = 0.0024510 k( 14) = ( 0.0000000 0.0000000 0.2075382), wk = 0.0024510 k( 15) = ( 0.0000000 0.0000000 0.2235026), wk = 0.0024510 k( 16) = ( 0.0000000 0.0000000 0.2394671), wk = 0.0024510 k( 17) = ( 0.0000000 0.0000000 0.2554316), wk = 0.0024510 k( 18) = ( 0.0000000 0.0000000 0.2713960), wk = 0.0024510 k( 19) = ( 0.0000000 0.0000000 0.2873605), wk = 0.0024510 k( 20) = ( 0.0000000 0.0000000 0.3033250), wk = 0.0024510 k( 21) = ( 0.0000000 0.0000000 0.3192895), wk = 0.0024510 k( 22) = ( 0.0000000 0.0000000 0.3352540), wk = 0.0024510 k( 23) = ( 0.0000000 0.0000000 0.3512184), wk = 0.0024510 k( 24) = ( 0.0000000 0.0000000 0.3671829), wk = 0.0024510 k( 25) = ( 0.0000000 0.0000000 0.3831474), wk = 0.0024510 k( 26) = ( 0.0000000 0.0000000 0.3991118), wk = 0.0024510 k( 27) = ( 0.0000000 0.0000000 0.4150763), wk = 0.0024510 k( 28) = ( 0.0000000 0.0000000 0.4310408), wk = 0.0024510 k( 29) = ( 0.0000000 0.0000000 0.4470053), wk = 0.0024510 k( 30) = ( 0.0000000 0.0000000 0.4629697), wk = 0.0024510 k( 31) = ( 0.0000000 0.0000000 0.4789342), wk = 0.0024510 k( 32) = ( 0.0000000 0.0000000 0.4948987), wk = 0.0024510 k( 33) = ( 0.0000000 0.0000000 0.5108632), wk = 0.0024510 k( 34) = ( 0.0000000 0.0000000 0.5268276), wk = 0.0024510 k( 35) = ( 0.0000000 0.0000000 0.5427921), wk = 0.0024510 k( 36) = ( 0.0000000 0.0000000 0.5587566), wk = 0.0024510 k( 37) = ( 0.0000000 0.0000000 0.5747211), wk = 0.0024510 k( 38) = ( 0.0000000 0.0000000 0.5906855), wk = 0.0024510 k( 39) = ( 0.0000000 0.0000000 0.6066500), wk = 0.0024510 k( 40) = ( 0.0000000 0.0000000 0.6226145), wk = 0.0024510 k( 41) = ( 0.0000000 0.0000000 0.6385790), wk = 0.0024510 k( 42) = ( 0.0000000 0.0000000 0.6545434), wk = 0.0024510 k( 43) = ( 0.0000000 0.0000000 0.6705079), wk = 0.0024510 k( 44) = ( 0.0000000 0.0000000 0.6864724), wk = 0.0024510 k( 45) = ( 0.0000000 0.0000000 0.7024368), wk = 0.0024510 k( 46) = ( 0.0000000 0.0000000 0.7184013), wk = 0.0024510 k( 47) = ( 0.0000000 0.0000000 0.7343658), wk = 0.0024510 k( 48) = ( 0.0000000 0.0000000 0.7503303), wk = 0.0024510 k( 49) = ( 0.0000000 0.0000000 0.7662947), wk = 0.0024510 k( 50) = ( 0.0000000 0.0000000 0.7822592), wk = 0.0024510 k( 51) = ( 0.0000000 0.0000000 0.7982237), wk = 0.0024510 k( 52) = ( 0.0000000 0.0000000 0.8141882), wk = 0.0024510 k( 53) = ( 0.0000000 0.0000000 0.8301526), wk = 0.0024510 k( 54) = ( 0.0000000 0.0000000 0.8461171), wk = 0.0024510 k( 55) = ( 0.0000000 0.0000000 0.8620816), wk = 0.0024510 k( 56) = ( 0.0000000 0.0000000 0.8780461), wk = 0.0024510 k( 57) = ( 0.0000000 0.0000000 0.8940105), wk = 0.0024510 k( 58) = ( 0.0000000 0.0000000 0.9099750), wk = 0.0024510 k( 59) = ( 0.0000000 0.0000000 0.9259395), wk = 0.0024510 k( 60) = ( 0.0000000 0.0000000 0.9419040), wk = 0.0024510 k( 61) = ( 0.0000000 0.0000000 0.9578684), wk = 0.0024510 k( 62) = ( 0.0000000 0.0000000 0.9738329), wk = 0.0024510 k( 63) = ( 0.0000000 0.0000000 0.9897974), wk = 0.0024510 k( 64) = ( 0.0000000 0.0000000 1.0057618), wk = 0.0024510 k( 65) = ( 0.0000000 0.0000000 1.0057618), wk = 0.0024510 k( 66) = ( -0.0074608 0.0130216 1.0057618), wk = 0.0024510 k( 67) = ( -0.0149216 0.0260433 1.0057618), wk = 0.0024510 k( 68) = ( -0.0223824 0.0390650 1.0057618), wk = 0.0024510 k( 69) = ( -0.0298432 0.0520866 1.0057618), wk = 0.0024510 k( 70) = ( -0.0373040 0.0651083 1.0057618), wk = 0.0024510 k( 71) = ( -0.0447648 0.0781299 1.0057618), wk = 0.0024510 k( 72) = ( -0.0522256 0.0911516 1.0057618), wk = 0.0024510 k( 73) = ( -0.0596863 0.1041732 1.0057618), wk = 0.0024510 k( 74) = ( -0.0671471 0.1171949 1.0057618), wk = 0.0024510 k( 75) = ( -0.0746079 0.1302165 1.0057618), wk = 0.0024510 k( 76) = ( -0.0820687 0.1432382 1.0057618), wk = 0.0024510 k( 77) = ( -0.0820687 0.1432382 1.0057618), wk = 0.0024510 k( 78) = ( -0.0875678 0.1528360 0.9947003), wk = 0.0024510 k( 79) = ( -0.0930669 0.1624338 0.9836387), wk = 0.0024510 k( 80) = ( -0.0985660 0.1720316 0.9725772), wk = 0.0024510 k( 81) = ( -0.1040651 0.1816295 0.9615156), wk = 0.0024510 k( 82) = ( -0.1095642 0.1912273 0.9504540), wk = 0.0024510 k( 83) = ( -0.1150633 0.2008251 0.9393925), wk = 0.0024510 k( 84) = ( -0.1205624 0.2104229 0.9283309), wk = 0.0024510 k( 85) = ( -0.1260615 0.2200207 0.9172693), wk = 0.0024510 k( 86) = ( -0.1315606 0.2296185 0.9062078), wk = 0.0024510 k( 87) = ( -0.1370597 0.2392164 0.8951462), wk = 0.0024510 k( 88) = ( -0.1425588 0.2488142 0.8840847), wk = 0.0024510 k( 89) = ( -0.1480579 0.2584120 0.8730231), wk = 0.0024510 k( 90) = ( -0.1535570 0.2680098 0.8619615), wk = 0.0024510 k( 91) = ( -0.1590561 0.2776076 0.8509000), wk = 0.0024510 k( 92) = ( -0.1645552 0.2872055 0.8398384), wk = 0.0024510 k( 93) = ( -0.1700542 0.2968033 0.8287769), wk = 0.0024510 k( 94) = ( -0.1755533 0.3064011 0.8177153), wk = 0.0024510 k( 95) = ( -0.1810524 0.3159989 0.8066537), wk = 0.0024510 k( 96) = ( -0.1865515 0.3255967 0.7955922), wk = 0.0024510 k( 97) = ( -0.1920506 0.3351945 0.7845306), wk = 0.0024510 k( 98) = ( -0.1975497 0.3447923 0.7734691), wk = 0.0024510 k( 99) = ( -0.2030488 0.3543902 0.7624075), wk = 0.0024510 k( 100) = ( -0.2085479 0.3639880 0.7513459), wk = 0.0024510 k( 101) = ( -0.2140470 0.3735858 0.7402844), wk = 0.0024510 k( 102) = ( -0.2195461 0.3831836 0.7292228), wk = 0.0024510 k( 103) = ( -0.2250452 0.3927814 0.7181612), wk = 0.0024510 k( 104) = ( -0.2305443 0.4023793 0.7070997), wk = 0.0024510 k( 105) = ( -0.2360434 0.4119771 0.6960381), wk = 0.0024510 k( 106) = ( -0.2415425 0.4215749 0.6849766), wk = 0.0024510 k( 107) = ( -0.2470416 0.4311727 0.6739150), wk = 0.0024510 k( 108) = ( -0.2525407 0.4407705 0.6628534), wk = 0.0024510 k( 109) = ( -0.2580398 0.4503683 0.6517919), wk = 0.0024510 k( 110) = ( -0.2635389 0.4599661 0.6407303), wk = 0.0024510 k( 111) = ( -0.2690380 0.4695640 0.6296688), wk = 0.0024510 k( 112) = ( -0.2745371 0.4791618 0.6186072), wk = 0.0024510 k( 113) = ( -0.2800362 0.4887596 0.6075456), wk = 0.0024510 k( 114) = ( -0.2855353 0.4983574 0.5964841), wk = 0.0024510 k( 115) = ( -0.2910344 0.5079552 0.5854225), wk = 0.0024510 k( 116) = ( -0.2910344 0.5079552 0.5854225), wk = 0.0024510 k( 117) = ( -0.2854375 0.4981869 0.5741644), wk = 0.0024510 k( 118) = ( -0.2798407 0.4884185 0.5629063), wk = 0.0024510 k( 119) = ( -0.2742439 0.4786501 0.5516481), wk = 0.0024510 k( 120) = ( -0.2686471 0.4688817 0.5403900), wk = 0.0024510 k( 121) = ( -0.2630503 0.4591134 0.5291319), wk = 0.0024510 k( 122) = ( -0.2574535 0.4493450 0.5178738), wk = 0.0024510 k( 123) = ( -0.2518567 0.4395766 0.5066156), wk = 0.0024510 k( 124) = ( -0.2462598 0.4298083 0.4953575), wk = 0.0024510 k( 125) = ( -0.2406630 0.4200399 0.4840994), wk = 0.0024510 k( 126) = ( -0.2350662 0.4102715 0.4728413), wk = 0.0024510 k( 127) = ( -0.2294694 0.4005032 0.4615831), wk = 0.0024510 k( 128) = ( -0.2238726 0.3907348 0.4503250), wk = 0.0024510 k( 129) = ( -0.2182758 0.3809664 0.4390669), wk = 0.0024510 k( 130) = ( -0.2126790 0.3711981 0.4278088), wk = 0.0024510 k( 131) = ( -0.2070821 0.3614297 0.4165506), wk = 0.0024510 k( 132) = ( -0.2014853 0.3516613 0.4052925), wk = 0.0024510 k( 133) = ( -0.1958885 0.3418929 0.3940344), wk = 0.0024510 k( 134) = ( -0.1902917 0.3321246 0.3827763), wk = 0.0024510 k( 135) = ( -0.1846949 0.3223562 0.3715181), wk = 0.0024510 k( 136) = ( -0.1790981 0.3125878 0.3602600), wk = 0.0024510 k( 137) = ( -0.1735012 0.3028195 0.3490019), wk = 0.0024510 k( 138) = ( -0.1679044 0.2930511 0.3377438), wk = 0.0024510 k( 139) = ( -0.1623076 0.2832827 0.3264856), wk = 0.0024510 k( 140) = ( -0.1567108 0.2735144 0.3152275), wk = 0.0024510 k( 141) = ( -0.1511140 0.2637460 0.3039694), wk = 0.0024510 k( 142) = ( -0.1455172 0.2539776 0.2927113), wk = 0.0024510 k( 143) = ( -0.1399204 0.2442093 0.2814531), wk = 0.0024510 k( 144) = ( -0.1343236 0.2344409 0.2701950), wk = 0.0024510 k( 145) = ( -0.1287267 0.2246725 0.2589369), wk = 0.0024510 k( 146) = ( -0.1231299 0.2149041 0.2476788), wk = 0.0024510 k( 147) = ( -0.1175331 0.2051358 0.2364206), wk = 0.0024510 k( 148) = ( -0.1119363 0.1953674 0.2251625), wk = 0.0024510 k( 149) = ( -0.1063395 0.1855990 0.2139044), wk = 0.0024510 k( 150) = ( -0.1007427 0.1758307 0.2026462), wk = 0.0024510 k( 151) = ( -0.0951459 0.1660623 0.1913881), wk = 0.0024510 k( 152) = ( -0.0895490 0.1562939 0.1801300), wk = 0.0024510 k( 153) = ( -0.0839522 0.1465255 0.1688719), wk = 0.0024510 k( 154) = ( -0.0783554 0.1367572 0.1576137), wk = 0.0024510 k( 155) = ( -0.0727586 0.1269888 0.1463556), wk = 0.0024510 k( 156) = ( -0.0671618 0.1172204 0.1350975), wk = 0.0024510 k( 157) = ( -0.0615650 0.1074521 0.1238394), wk = 0.0024510 k( 158) = ( -0.0559682 0.0976837 0.1125813), wk = 0.0024510 k( 159) = ( -0.0503713 0.0879153 0.1013231), wk = 0.0024510 k( 160) = ( -0.0447745 0.0781470 0.0900650), wk = 0.0024510 k( 161) = ( -0.0391777 0.0683786 0.0788069), wk = 0.0024510 k( 162) = ( -0.0335809 0.0586102 0.0675488), wk = 0.0024510 k( 163) = ( -0.0279841 0.0488418 0.0562906), wk = 0.0024510 k( 164) = ( -0.0223873 0.0390735 0.0450325), wk = 0.0024510 k( 165) = ( -0.0167904 0.0293051 0.0337744), wk = 0.0024510 k( 166) = ( -0.0111936 0.0195367 0.0225163), wk = 0.0024510 k( 167) = ( -0.0055968 0.0097684 0.0112581), wk = 0.0024510 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 170) = ( 0.0135135 0.0077426 -0.0000000), wk = 0.0024510 k( 171) = ( 0.0270270 0.0154852 -0.0000000), wk = 0.0024510 k( 172) = ( 0.0405405 0.0232278 -0.0000000), wk = 0.0024510 k( 173) = ( 0.0540540 0.0309704 -0.0000000), wk = 0.0024510 k( 174) = ( 0.0675676 0.0387130 -0.0000000), wk = 0.0024510 k( 175) = ( 0.0810811 0.0464556 -0.0000000), wk = 0.0024510 k( 176) = ( 0.0945946 0.0541982 -0.0000000), wk = 0.0024510 k( 177) = ( 0.1081081 0.0619408 -0.0000000), wk = 0.0024510 k( 178) = ( 0.1216216 0.0696834 -0.0000000), wk = 0.0024510 k( 179) = ( 0.1351351 0.0774261 -0.0000000), wk = 0.0024510 k( 180) = ( 0.1486486 0.0851687 -0.0000000), wk = 0.0024510 k( 181) = ( 0.1621622 0.0929113 -0.0000000), wk = 0.0024510 k( 182) = ( 0.1756757 0.1006539 -0.0000000), wk = 0.0024510 k( 183) = ( 0.1891892 0.1083965 -0.0000000), wk = 0.0024510 k( 184) = ( 0.2027027 0.1161391 -0.0000000), wk = 0.0024510 k( 185) = ( 0.2162162 0.1238817 -0.0000000), wk = 0.0024510 k( 186) = ( 0.2297297 0.1316243 -0.0000000), wk = 0.0024510 k( 187) = ( 0.2432432 0.1393669 -0.0000000), wk = 0.0024510 k( 188) = ( 0.2567568 0.1471095 -0.0000000), wk = 0.0024510 k( 189) = ( 0.2702703 0.1548521 -0.0000000), wk = 0.0024510 k( 190) = ( 0.2837838 0.1625947 -0.0000000), wk = 0.0024510 k( 191) = ( 0.2972973 0.1703373 -0.0000000), wk = 0.0024510 k( 192) = ( 0.3108108 0.1780799 -0.0000000), wk = 0.0024510 k( 193) = ( 0.3243243 0.1858225 -0.0000000), wk = 0.0024510 k( 194) = ( 0.3378378 0.1935651 -0.0000000), wk = 0.0024510 k( 195) = ( 0.3513514 0.2013077 -0.0000000), wk = 0.0024510 k( 196) = ( 0.3648649 0.2090503 -0.0000000), wk = 0.0024510 k( 197) = ( 0.3783784 0.2167929 -0.0000000), wk = 0.0024510 k( 198) = ( 0.3918919 0.2245355 -0.0000000), wk = 0.0024510 k( 199) = ( 0.4054054 0.2322782 -0.0000000), wk = 0.0024510 k( 200) = ( 0.4189189 0.2400208 -0.0000000), wk = 0.0024510 k( 201) = ( 0.4324324 0.2477634 -0.0000000), wk = 0.0024510 k( 202) = ( 0.4459459 0.2555060 -0.0000000), wk = 0.0024510 k( 203) = ( 0.4594595 0.2632486 -0.0000000), wk = 0.0024510 k( 204) = ( 0.4729730 0.2709912 -0.0000000), wk = 0.0024510 k( 205) = ( 0.4864865 0.2787338 -0.0000000), wk = 0.0024510 k( 206) = ( 0.5000000 0.2864764 -0.0000000), wk = 0.0024510 k( 207) = ( 0.5000000 0.2864764 -0.0000000), wk = 0.0024510 k( 208) = ( 0.4945009 0.2960742 0.0110616), wk = 0.0024510 k( 209) = ( 0.4890018 0.3056720 0.0221231), wk = 0.0024510 k( 210) = ( 0.4835027 0.3152698 0.0331847), wk = 0.0024510 k( 211) = ( 0.4780036 0.3248676 0.0442462), wk = 0.0024510 k( 212) = ( 0.4725045 0.3344655 0.0553078), wk = 0.0024510 k( 213) = ( 0.4670054 0.3440633 0.0663694), wk = 0.0024510 k( 214) = ( 0.4615063 0.3536611 0.0774309), wk = 0.0024510 k( 215) = ( 0.4560072 0.3632589 0.0884925), wk = 0.0024510 k( 216) = ( 0.4505081 0.3728567 0.0995540), wk = 0.0024510 k( 217) = ( 0.4450090 0.3824546 0.1106156), wk = 0.0024510 k( 218) = ( 0.4395099 0.3920524 0.1216772), wk = 0.0024510 k( 219) = ( 0.4340109 0.4016502 0.1327387), wk = 0.0024510 k( 220) = ( 0.4285118 0.4112480 0.1438003), wk = 0.0024510 k( 221) = ( 0.4230127 0.4208458 0.1548619), wk = 0.0024510 k( 222) = ( 0.4175136 0.4304436 0.1659234), wk = 0.0024510 k( 223) = ( 0.4120145 0.4400415 0.1769850), wk = 0.0024510 k( 224) = ( 0.4065154 0.4496393 0.1880465), wk = 0.0024510 k( 225) = ( 0.4010163 0.4592371 0.1991081), wk = 0.0024510 k( 226) = ( 0.3955172 0.4688349 0.2101697), wk = 0.0024510 k( 227) = ( 0.3900181 0.4784327 0.2212312), wk = 0.0024510 k( 228) = ( 0.3845190 0.4880305 0.2322928), wk = 0.0024510 k( 229) = ( 0.3790199 0.4976284 0.2433544), wk = 0.0024510 k( 230) = ( 0.3735208 0.5072262 0.2544159), wk = 0.0024510 k( 231) = ( 0.3680217 0.5168240 0.2654775), wk = 0.0024510 k( 232) = ( 0.3625226 0.5264218 0.2765390), wk = 0.0024510 k( 233) = ( 0.3570235 0.5360196 0.2876006), wk = 0.0024510 k( 234) = ( 0.3515244 0.5456174 0.2986622), wk = 0.0024510 k( 235) = ( 0.3460253 0.5552153 0.3097237), wk = 0.0024510 k( 236) = ( 0.3405262 0.5648131 0.3207853), wk = 0.0024510 k( 237) = ( 0.3350271 0.5744109 0.3318468), wk = 0.0024510 k( 238) = ( 0.3295280 0.5840087 0.3429084), wk = 0.0024510 k( 239) = ( 0.3240289 0.5936065 0.3539700), wk = 0.0024510 k( 240) = ( 0.3185298 0.6032043 0.3650315), wk = 0.0024510 k( 241) = ( 0.3130307 0.6128022 0.3760931), wk = 0.0024510 k( 242) = ( 0.3075316 0.6224000 0.3871546), wk = 0.0024510 k( 243) = ( 0.3020326 0.6319978 0.3982162), wk = 0.0024510 k( 244) = ( 0.2965335 0.6415956 0.4092778), wk = 0.0024510 k( 245) = ( 0.2910344 0.6511934 0.4203393), wk = 0.0024510 k( 246) = ( 0.2910344 0.6511934 0.4203393), wk = 0.0024510 k( 247) = ( 0.2764826 0.6476125 0.4244664), wk = 0.0024510 k( 248) = ( 0.2619309 0.6440315 0.4285935), wk = 0.0024510 k( 249) = ( 0.2473792 0.6404506 0.4327206), wk = 0.0024510 k( 250) = ( 0.2328275 0.6368696 0.4368476), wk = 0.0024510 k( 251) = ( 0.2182758 0.6332887 0.4409747), wk = 0.0024510 k( 252) = ( 0.2037240 0.6297077 0.4451018), wk = 0.0024510 k( 253) = ( 0.1891723 0.6261267 0.4492289), wk = 0.0024510 k( 254) = ( 0.1746206 0.6225458 0.4533560), wk = 0.0024510 k( 255) = ( 0.1600689 0.6189648 0.4574830), wk = 0.0024510 k( 256) = ( 0.1455172 0.6153839 0.4616101), wk = 0.0024510 k( 257) = ( 0.1309655 0.6118029 0.4657372), wk = 0.0024510 k( 258) = ( 0.1164137 0.6082220 0.4698643), wk = 0.0024510 k( 259) = ( 0.1018620 0.6046410 0.4739914), wk = 0.0024510 k( 260) = ( 0.0873103 0.6010601 0.4781184), wk = 0.0024510 k( 261) = ( 0.0727586 0.5974791 0.4822455), wk = 0.0024510 k( 262) = ( 0.0582069 0.5938982 0.4863726), wk = 0.0024510 k( 263) = ( 0.0436551 0.5903172 0.4904997), wk = 0.0024510 k( 264) = ( 0.0291034 0.5867362 0.4946268), wk = 0.0024510 k( 265) = ( 0.0145517 0.5831553 0.4987538), wk = 0.0024510 k( 266) = ( 0.0000000 0.5795743 0.5028809), wk = 0.0024510 k( 267) = ( 0.0000000 0.5795743 0.5028809), wk = 0.0024510 k( 268) = ( 0.0055556 0.5698780 0.5140561), wk = 0.0024510 k( 269) = ( 0.0111111 0.5601816 0.5252312), wk = 0.0024510 k( 270) = ( 0.0166667 0.5504852 0.5364063), wk = 0.0024510 k( 271) = ( 0.0222222 0.5407889 0.5475814), wk = 0.0024510 k( 272) = ( 0.0277778 0.5310925 0.5587566), wk = 0.0024510 k( 273) = ( 0.0333333 0.5213962 0.5699317), wk = 0.0024510 k( 274) = ( 0.0388889 0.5116998 0.5811068), wk = 0.0024510 k( 275) = ( 0.0444444 0.5020035 0.5922820), wk = 0.0024510 k( 276) = ( 0.0500000 0.4923071 0.6034571), wk = 0.0024510 k( 277) = ( 0.0555556 0.4826107 0.6146322), wk = 0.0024510 k( 278) = ( 0.0611111 0.4729144 0.6258074), wk = 0.0024510 k( 279) = ( 0.0666667 0.4632180 0.6369825), wk = 0.0024510 k( 280) = ( 0.0722222 0.4535217 0.6481576), wk = 0.0024510 k( 281) = ( 0.0777778 0.4438253 0.6593328), wk = 0.0024510 k( 282) = ( 0.0833333 0.4341290 0.6705079), wk = 0.0024510 k( 283) = ( 0.0888889 0.4244326 0.6816830), wk = 0.0024510 k( 284) = ( 0.0944444 0.4147362 0.6928582), wk = 0.0024510 k( 285) = ( 0.1000000 0.4050399 0.7040333), wk = 0.0024510 k( 286) = ( 0.1055556 0.3953435 0.7152084), wk = 0.0024510 k( 287) = ( 0.1111111 0.3856472 0.7263836), wk = 0.0024510 k( 288) = ( 0.1166667 0.3759508 0.7375587), wk = 0.0024510 k( 289) = ( 0.1222222 0.3662544 0.7487338), wk = 0.0024510 k( 290) = ( 0.1277778 0.3565581 0.7599090), wk = 0.0024510 k( 291) = ( 0.1333333 0.3468617 0.7710841), wk = 0.0024510 k( 292) = ( 0.1388889 0.3371654 0.7822592), wk = 0.0024510 k( 293) = ( 0.1444444 0.3274690 0.7934343), wk = 0.0024510 k( 294) = ( 0.1500000 0.3177726 0.8046095), wk = 0.0024510 k( 295) = ( 0.1555556 0.3080763 0.8157846), wk = 0.0024510 k( 296) = ( 0.1611111 0.2983799 0.8269597), wk = 0.0024510 k( 297) = ( 0.1666667 0.2886836 0.8381349), wk = 0.0024510 k( 298) = ( 0.1722222 0.2789872 0.8493100), wk = 0.0024510 k( 299) = ( 0.1777778 0.2692909 0.8604851), wk = 0.0024510 k( 300) = ( 0.1833333 0.2595945 0.8716603), wk = 0.0024510 k( 301) = ( 0.1888889 0.2498981 0.8828354), wk = 0.0024510 k( 302) = ( 0.1944444 0.2402018 0.8940105), wk = 0.0024510 k( 303) = ( 0.2000000 0.2305054 0.9051857), wk = 0.0024510 k( 304) = ( 0.2055556 0.2208091 0.9163608), wk = 0.0024510 k( 305) = ( 0.2111111 0.2111127 0.9275359), wk = 0.0024510 k( 306) = ( 0.2166667 0.2014163 0.9387111), wk = 0.0024510 k( 307) = ( 0.2222222 0.1917200 0.9498862), wk = 0.0024510 k( 308) = ( 0.2277778 0.1820236 0.9610613), wk = 0.0024510 k( 309) = ( 0.2333333 0.1723273 0.9722364), wk = 0.0024510 k( 310) = ( 0.2388889 0.1626309 0.9834116), wk = 0.0024510 k( 311) = ( 0.2444444 0.1529346 0.9945867), wk = 0.0024510 k( 312) = ( 0.2500000 0.1432382 1.0057618), wk = 0.0024510 k( 313) = ( 0.2500000 0.1432382 1.0057618), wk = 0.0024510 k( 314) = ( 0.2619048 0.1500591 0.9979007), wk = 0.0024510 k( 315) = ( 0.2738095 0.1568799 0.9900396), wk = 0.0024510 k( 316) = ( 0.2857143 0.1637008 0.9821785), wk = 0.0024510 k( 317) = ( 0.2976190 0.1705217 0.9743174), wk = 0.0024510 k( 318) = ( 0.3095238 0.1773425 0.9664563), wk = 0.0024510 k( 319) = ( 0.3214286 0.1841634 0.9585952), wk = 0.0024510 k( 320) = ( 0.3333333 0.1909843 0.9507341), wk = 0.0024510 k( 321) = ( 0.3452381 0.1978051 0.9428730), wk = 0.0024510 k( 322) = ( 0.3571429 0.2046260 0.9350119), wk = 0.0024510 k( 323) = ( 0.3690476 0.2114469 0.9271508), wk = 0.0024510 k( 324) = ( 0.3809524 0.2182677 0.9192897), wk = 0.0024510 k( 325) = ( 0.3928571 0.2250886 0.9114286), wk = 0.0024510 k( 326) = ( 0.4047619 0.2319095 0.9035675), wk = 0.0024510 k( 327) = ( 0.4166667 0.2387303 0.8957064), wk = 0.0024510 k( 328) = ( 0.4285714 0.2455512 0.8878453), wk = 0.0024510 k( 329) = ( 0.4404762 0.2523721 0.8799842), wk = 0.0024510 k( 330) = ( 0.4523810 0.2591929 0.8721231), wk = 0.0024510 k( 331) = ( 0.4642857 0.2660138 0.8642620), wk = 0.0024510 k( 332) = ( 0.4761905 0.2728347 0.8564009), wk = 0.0024510 k( 333) = ( 0.4880952 0.2796555 0.8485398), wk = 0.0024510 k( 334) = ( 0.5000000 0.2864764 0.8406787), wk = 0.0024510 k( 335) = ( 0.5000000 0.2864764 0.8406787), wk = 0.0024510 k( 336) = ( 0.5000000 0.2864764 0.8248168), wk = 0.0024510 k( 337) = ( 0.5000000 0.2864764 0.8089550), wk = 0.0024510 k( 338) = ( 0.5000000 0.2864764 0.7930931), wk = 0.0024510 k( 339) = ( 0.5000000 0.2864764 0.7772312), wk = 0.0024510 k( 340) = ( 0.5000000 0.2864764 0.7613694), wk = 0.0024510 k( 341) = ( 0.5000000 0.2864764 0.7455075), wk = 0.0024510 k( 342) = ( 0.5000000 0.2864764 0.7296456), wk = 0.0024510 k( 343) = ( 0.5000000 0.2864764 0.7137838), wk = 0.0024510 k( 344) = ( 0.5000000 0.2864764 0.6979219), wk = 0.0024510 k( 345) = ( 0.5000000 0.2864764 0.6820601), wk = 0.0024510 k( 346) = ( 0.5000000 0.2864764 0.6661982), wk = 0.0024510 k( 347) = ( 0.5000000 0.2864764 0.6503363), wk = 0.0024510 k( 348) = ( 0.5000000 0.2864764 0.6344745), wk = 0.0024510 k( 349) = ( 0.5000000 0.2864764 0.6186126), wk = 0.0024510 k( 350) = ( 0.5000000 0.2864764 0.6027507), wk = 0.0024510 k( 351) = ( 0.5000000 0.2864764 0.5868889), wk = 0.0024510 k( 352) = ( 0.5000000 0.2864764 0.5710270), wk = 0.0024510 k( 353) = ( 0.5000000 0.2864764 0.5551652), wk = 0.0024510 k( 354) = ( 0.5000000 0.2864764 0.5393033), wk = 0.0024510 k( 355) = ( 0.5000000 0.2864764 0.5234414), wk = 0.0024510 k( 356) = ( 0.5000000 0.2864764 0.5075796), wk = 0.0024510 k( 357) = ( 0.5000000 0.2864764 0.4917177), wk = 0.0024510 k( 358) = ( 0.5000000 0.2864764 0.4758558), wk = 0.0024510 k( 359) = ( 0.5000000 0.2864764 0.4599940), wk = 0.0024510 k( 360) = ( 0.5000000 0.2864764 0.4441321), wk = 0.0024510 k( 361) = ( 0.5000000 0.2864764 0.4282703), wk = 0.0024510 k( 362) = ( 0.5000000 0.2864764 0.4124084), wk = 0.0024510 k( 363) = ( 0.5000000 0.2864764 0.3965466), wk = 0.0024510 k( 364) = ( 0.5000000 0.2864764 0.3806847), wk = 0.0024510 k( 365) = ( 0.5000000 0.2864764 0.3648228), wk = 0.0024510 k( 366) = ( 0.5000000 0.2864764 0.3489610), wk = 0.0024510 k( 367) = ( 0.5000000 0.2864764 0.3330991), wk = 0.0024510 k( 368) = ( 0.5000000 0.2864764 0.3172372), wk = 0.0024510 k( 369) = ( 0.5000000 0.2864764 0.3013754), wk = 0.0024510 k( 370) = ( 0.5000000 0.2864764 0.2855135), wk = 0.0024510 k( 371) = ( 0.5000000 0.2864764 0.2696517), wk = 0.0024510 k( 372) = ( 0.5000000 0.2864764 0.2537898), wk = 0.0024510 k( 373) = ( 0.5000000 0.2864764 0.2379279), wk = 0.0024510 k( 374) = ( 0.5000000 0.2864764 0.2220661), wk = 0.0024510 k( 375) = ( 0.5000000 0.2864764 0.2062042), wk = 0.0024510 k( 376) = ( 0.5000000 0.2864764 0.1903423), wk = 0.0024510 k( 377) = ( 0.5000000 0.2864764 0.1744805), wk = 0.0024510 k( 378) = ( 0.5000000 0.2864764 0.1586186), wk = 0.0024510 k( 379) = ( 0.5000000 0.2864764 0.1427568), wk = 0.0024510 k( 380) = ( 0.5000000 0.2864764 0.1268949), wk = 0.0024510 k( 381) = ( 0.5000000 0.2864764 0.1110330), wk = 0.0024510 k( 382) = ( 0.5000000 0.2864764 0.0951712), wk = 0.0024510 k( 383) = ( 0.5000000 0.2864764 0.0793093), wk = 0.0024510 k( 384) = ( 0.5000000 0.2864764 0.0634474), wk = 0.0024510 k( 385) = ( 0.5000000 0.2864764 0.0475856), wk = 0.0024510 k( 386) = ( 0.5000000 0.2864764 0.0317237), wk = 0.0024510 k( 387) = ( 0.5000000 0.2864764 0.0158619), wk = 0.0024510 k( 388) = ( 0.5000000 0.2864764 -0.0000000), wk = 0.0024510 k( 389) = ( 0.0000000 0.0000000 1.0057618), wk = 0.0024510 k( 390) = ( 0.0131579 0.0075388 1.0057618), wk = 0.0024510 k( 391) = ( 0.0263158 0.0150777 1.0057618), wk = 0.0024510 k( 392) = ( 0.0394737 0.0226166 1.0057618), wk = 0.0024510 k( 393) = ( 0.0526316 0.0301554 1.0057618), wk = 0.0024510 k( 394) = ( 0.0657895 0.0376943 1.0057618), wk = 0.0024510 k( 395) = ( 0.0789474 0.0452331 1.0057618), wk = 0.0024510 k( 396) = ( 0.0921053 0.0527720 1.0057618), wk = 0.0024510 k( 397) = ( 0.1052632 0.0603108 1.0057618), wk = 0.0024510 k( 398) = ( 0.1184210 0.0678497 1.0057618), wk = 0.0024510 k( 399) = ( 0.1315790 0.0753885 1.0057618), wk = 0.0024510 k( 400) = ( 0.1447368 0.0829274 1.0057618), wk = 0.0024510 k( 401) = ( 0.1578947 0.0904662 1.0057618), wk = 0.0024510 k( 402) = ( 0.1710526 0.0980051 1.0057618), wk = 0.0024510 k( 403) = ( 0.1842105 0.1055439 1.0057618), wk = 0.0024510 k( 404) = ( 0.1973684 0.1130828 1.0057618), wk = 0.0024510 k( 405) = ( 0.2105263 0.1206216 1.0057618), wk = 0.0024510 k( 406) = ( 0.2236842 0.1281605 1.0057618), wk = 0.0024510 k( 407) = ( 0.2368421 0.1356993 1.0057618), wk = 0.0024510 k( 408) = ( 0.2500000 0.1432382 1.0057618), wk = 0.0024510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 2) = ( 0.0000000 0.0000000 0.0079365), wk = 0.0024510 k( 3) = ( 0.0000000 0.0000000 0.0158730), wk = 0.0024510 k( 4) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0024510 k( 5) = ( 0.0000000 0.0000000 0.0317460), wk = 0.0024510 k( 6) = ( 0.0000000 0.0000000 0.0396825), wk = 0.0024510 k( 7) = ( 0.0000000 0.0000000 0.0476190), wk = 0.0024510 k( 8) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0024510 k( 9) = ( 0.0000000 0.0000000 0.0634921), wk = 0.0024510 k( 10) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0024510 k( 11) = ( 0.0000000 0.0000000 0.0793651), wk = 0.0024510 k( 12) = ( 0.0000000 0.0000000 0.0873016), wk = 0.0024510 k( 13) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0024510 k( 14) = ( 0.0000000 0.0000000 0.1031746), wk = 0.0024510 k( 15) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0024510 k( 16) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0024510 k( 17) = ( 0.0000000 0.0000000 0.1269841), wk = 0.0024510 k( 18) = ( 0.0000000 0.0000000 0.1349206), wk = 0.0024510 k( 19) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0024510 k( 20) = ( 0.0000000 0.0000000 0.1507936), wk = 0.0024510 k( 21) = ( 0.0000000 0.0000000 0.1587302), wk = 0.0024510 k( 22) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0024510 k( 23) = ( 0.0000000 0.0000000 0.1746032), wk = 0.0024510 k( 24) = ( 0.0000000 0.0000000 0.1825397), wk = 0.0024510 k( 25) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0024510 k( 26) = ( 0.0000000 0.0000000 0.1984127), wk = 0.0024510 k( 27) = ( 0.0000000 0.0000000 0.2063492), wk = 0.0024510 k( 28) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0024510 k( 29) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0024510 k( 30) = ( 0.0000000 0.0000000 0.2301587), wk = 0.0024510 k( 31) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0024510 k( 32) = ( 0.0000000 0.0000000 0.2460317), wk = 0.0024510 k( 33) = ( 0.0000000 0.0000000 0.2539683), wk = 0.0024510 k( 34) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0024510 k( 35) = ( 0.0000000 0.0000000 0.2698413), wk = 0.0024510 k( 36) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0024510 k( 37) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0024510 k( 38) = ( 0.0000000 0.0000000 0.2936508), wk = 0.0024510 k( 39) = ( 0.0000000 0.0000000 0.3015873), wk = 0.0024510 k( 40) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0024510 k( 41) = ( 0.0000000 0.0000000 0.3174603), wk = 0.0024510 k( 42) = ( 0.0000000 0.0000000 0.3253968), wk = 0.0024510 k( 43) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0024510 k( 44) = ( 0.0000000 0.0000000 0.3412698), wk = 0.0024510 k( 45) = ( 0.0000000 0.0000000 0.3492063), wk = 0.0024510 k( 46) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0024510 k( 47) = ( 0.0000000 0.0000000 0.3650794), wk = 0.0024510 k( 48) = ( 0.0000000 0.0000000 0.3730159), wk = 0.0024510 k( 49) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0024510 k( 50) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0024510 k( 51) = ( 0.0000000 0.0000000 0.3968254), wk = 0.0024510 k( 52) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0024510 k( 53) = ( 0.0000000 0.0000000 0.4126984), wk = 0.0024510 k( 54) = ( 0.0000000 0.0000000 0.4206349), wk = 0.0024510 k( 55) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0024510 k( 56) = ( 0.0000000 0.0000000 0.4365079), wk = 0.0024510 k( 57) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0024510 k( 58) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0024510 k( 59) = ( 0.0000000 0.0000000 0.4603175), wk = 0.0024510 k( 60) = ( 0.0000000 0.0000000 0.4682540), wk = 0.0024510 k( 61) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0024510 k( 62) = ( 0.0000000 0.0000000 0.4841270), wk = 0.0024510 k( 63) = ( 0.0000000 0.0000000 0.4920635), wk = 0.0024510 k( 64) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 65) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 66) = ( -0.0074608 0.0074608 0.5000000), wk = 0.0024510 k( 67) = ( -0.0149216 0.0149216 0.5000000), wk = 0.0024510 k( 68) = ( -0.0223824 0.0223824 0.5000000), wk = 0.0024510 k( 69) = ( -0.0298432 0.0298432 0.5000000), wk = 0.0024510 k( 70) = ( -0.0373040 0.0373040 0.5000000), wk = 0.0024510 k( 71) = ( -0.0447648 0.0447648 0.5000000), wk = 0.0024510 k( 72) = ( -0.0522256 0.0522256 0.5000000), wk = 0.0024510 k( 73) = ( -0.0596863 0.0596863 0.5000000), wk = 0.0024510 k( 74) = ( -0.0671471 0.0671471 0.5000000), wk = 0.0024510 k( 75) = ( -0.0746079 0.0746079 0.5000000), wk = 0.0024510 k( 76) = ( -0.0820687 0.0820687 0.5000000), wk = 0.0024510 k( 77) = ( -0.0820687 0.0820687 0.5000000), wk = 0.0024510 k( 78) = ( -0.0875678 0.0875678 0.4945009), wk = 0.0024510 k( 79) = ( -0.0930669 0.0930669 0.4890018), wk = 0.0024510 k( 80) = ( -0.0985660 0.0985660 0.4835027), wk = 0.0024510 k( 81) = ( -0.1040651 0.1040651 0.4780036), wk = 0.0024510 k( 82) = ( -0.1095642 0.1095642 0.4725045), wk = 0.0024510 k( 83) = ( -0.1150633 0.1150633 0.4670054), wk = 0.0024510 k( 84) = ( -0.1205624 0.1205624 0.4615063), wk = 0.0024510 k( 85) = ( -0.1260615 0.1260615 0.4560072), wk = 0.0024510 k( 86) = ( -0.1315606 0.1315606 0.4505081), wk = 0.0024510 k( 87) = ( -0.1370597 0.1370597 0.4450090), wk = 0.0024510 k( 88) = ( -0.1425588 0.1425588 0.4395099), wk = 0.0024510 k( 89) = ( -0.1480579 0.1480579 0.4340108), wk = 0.0024510 k( 90) = ( -0.1535570 0.1535570 0.4285117), wk = 0.0024510 k( 91) = ( -0.1590561 0.1590561 0.4230127), wk = 0.0024510 k( 92) = ( -0.1645552 0.1645552 0.4175136), wk = 0.0024510 k( 93) = ( -0.1700542 0.1700542 0.4120145), wk = 0.0024510 k( 94) = ( -0.1755533 0.1755533 0.4065154), wk = 0.0024510 k( 95) = ( -0.1810524 0.1810524 0.4010163), wk = 0.0024510 k( 96) = ( -0.1865515 0.1865515 0.3955172), wk = 0.0024510 k( 97) = ( -0.1920506 0.1920506 0.3900181), wk = 0.0024510 k( 98) = ( -0.1975497 0.1975497 0.3845190), wk = 0.0024510 k( 99) = ( -0.2030488 0.2030488 0.3790199), wk = 0.0024510 k( 100) = ( -0.2085479 0.2085479 0.3735208), wk = 0.0024510 k( 101) = ( -0.2140470 0.2140470 0.3680217), wk = 0.0024510 k( 102) = ( -0.2195461 0.2195461 0.3625226), wk = 0.0024510 k( 103) = ( -0.2250452 0.2250452 0.3570235), wk = 0.0024510 k( 104) = ( -0.2305443 0.2305443 0.3515244), wk = 0.0024510 k( 105) = ( -0.2360434 0.2360434 0.3460253), wk = 0.0024510 k( 106) = ( -0.2415425 0.2415425 0.3405262), wk = 0.0024510 k( 107) = ( -0.2470416 0.2470416 0.3350271), wk = 0.0024510 k( 108) = ( -0.2525407 0.2525407 0.3295280), wk = 0.0024510 k( 109) = ( -0.2580398 0.2580398 0.3240289), wk = 0.0024510 k( 110) = ( -0.2635389 0.2635389 0.3185298), wk = 0.0024510 k( 111) = ( -0.2690380 0.2690380 0.3130307), wk = 0.0024510 k( 112) = ( -0.2745371 0.2745371 0.3075316), wk = 0.0024510 k( 113) = ( -0.2800362 0.2800362 0.3020325), wk = 0.0024510 k( 114) = ( -0.2855353 0.2855353 0.2965335), wk = 0.0024510 k( 115) = ( -0.2910344 0.2910344 0.2910344), wk = 0.0024510 k( 116) = ( -0.2910344 0.2910344 0.2910344), wk = 0.0024510 k( 117) = ( -0.2854375 0.2854376 0.2854375), wk = 0.0024510 k( 118) = ( -0.2798407 0.2798407 0.2798407), wk = 0.0024510 k( 119) = ( -0.2742439 0.2742439 0.2742439), wk = 0.0024510 k( 120) = ( -0.2686471 0.2686471 0.2686471), wk = 0.0024510 k( 121) = ( -0.2630503 0.2630503 0.2630503), wk = 0.0024510 k( 122) = ( -0.2574535 0.2574535 0.2574535), wk = 0.0024510 k( 123) = ( -0.2518567 0.2518567 0.2518567), wk = 0.0024510 k( 124) = ( -0.2462598 0.2462598 0.2462598), wk = 0.0024510 k( 125) = ( -0.2406630 0.2406630 0.2406630), wk = 0.0024510 k( 126) = ( -0.2350662 0.2350662 0.2350662), wk = 0.0024510 k( 127) = ( -0.2294694 0.2294694 0.2294694), wk = 0.0024510 k( 128) = ( -0.2238726 0.2238726 0.2238726), wk = 0.0024510 k( 129) = ( -0.2182758 0.2182758 0.2182758), wk = 0.0024510 k( 130) = ( -0.2126790 0.2126790 0.2126790), wk = 0.0024510 k( 131) = ( -0.2070821 0.2070821 0.2070821), wk = 0.0024510 k( 132) = ( -0.2014853 0.2014853 0.2014853), wk = 0.0024510 k( 133) = ( -0.1958885 0.1958885 0.1958885), wk = 0.0024510 k( 134) = ( -0.1902917 0.1902917 0.1902917), wk = 0.0024510 k( 135) = ( -0.1846949 0.1846949 0.1846949), wk = 0.0024510 k( 136) = ( -0.1790981 0.1790981 0.1790981), wk = 0.0024510 k( 137) = ( -0.1735012 0.1735013 0.1735012), wk = 0.0024510 k( 138) = ( -0.1679044 0.1679044 0.1679044), wk = 0.0024510 k( 139) = ( -0.1623076 0.1623076 0.1623076), wk = 0.0024510 k( 140) = ( -0.1567108 0.1567108 0.1567108), wk = 0.0024510 k( 141) = ( -0.1511140 0.1511140 0.1511140), wk = 0.0024510 k( 142) = ( -0.1455172 0.1455172 0.1455172), wk = 0.0024510 k( 143) = ( -0.1399204 0.1399204 0.1399204), wk = 0.0024510 k( 144) = ( -0.1343236 0.1343236 0.1343235), wk = 0.0024510 k( 145) = ( -0.1287267 0.1287267 0.1287267), wk = 0.0024510 k( 146) = ( -0.1231299 0.1231299 0.1231299), wk = 0.0024510 k( 147) = ( -0.1175331 0.1175331 0.1175331), wk = 0.0024510 k( 148) = ( -0.1119363 0.1119363 0.1119363), wk = 0.0024510 k( 149) = ( -0.1063395 0.1063395 0.1063395), wk = 0.0024510 k( 150) = ( -0.1007427 0.1007427 0.1007427), wk = 0.0024510 k( 151) = ( -0.0951459 0.0951459 0.0951458), wk = 0.0024510 k( 152) = ( -0.0895490 0.0895490 0.0895490), wk = 0.0024510 k( 153) = ( -0.0839522 0.0839522 0.0839522), wk = 0.0024510 k( 154) = ( -0.0783554 0.0783554 0.0783554), wk = 0.0024510 k( 155) = ( -0.0727586 0.0727586 0.0727586), wk = 0.0024510 k( 156) = ( -0.0671618 0.0671618 0.0671618), wk = 0.0024510 k( 157) = ( -0.0615650 0.0615650 0.0615650), wk = 0.0024510 k( 158) = ( -0.0559682 0.0559682 0.0559681), wk = 0.0024510 k( 159) = ( -0.0503713 0.0503713 0.0503713), wk = 0.0024510 k( 160) = ( -0.0447745 0.0447745 0.0447745), wk = 0.0024510 k( 161) = ( -0.0391777 0.0391777 0.0391777), wk = 0.0024510 k( 162) = ( -0.0335809 0.0335809 0.0335809), wk = 0.0024510 k( 163) = ( -0.0279841 0.0279841 0.0279841), wk = 0.0024510 k( 164) = ( -0.0223873 0.0223873 0.0223873), wk = 0.0024510 k( 165) = ( -0.0167904 0.0167904 0.0167904), wk = 0.0024510 k( 166) = ( -0.0111936 0.0111936 0.0111936), wk = 0.0024510 k( 167) = ( -0.0055968 0.0055968 0.0055968), wk = 0.0024510 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024510 k( 170) = ( 0.0135135 0.0135135 -0.0135135), wk = 0.0024510 k( 171) = ( 0.0270270 0.0270270 -0.0270270), wk = 0.0024510 k( 172) = ( 0.0405405 0.0405405 -0.0405405), wk = 0.0024510 k( 173) = ( 0.0540540 0.0540540 -0.0540540), wk = 0.0024510 k( 174) = ( 0.0675676 0.0675676 -0.0675676), wk = 0.0024510 k( 175) = ( 0.0810811 0.0810811 -0.0810811), wk = 0.0024510 k( 176) = ( 0.0945946 0.0945946 -0.0945946), wk = 0.0024510 k( 177) = ( 0.1081081 0.1081081 -0.1081081), wk = 0.0024510 k( 178) = ( 0.1216216 0.1216216 -0.1216216), wk = 0.0024510 k( 179) = ( 0.1351351 0.1351351 -0.1351351), wk = 0.0024510 k( 180) = ( 0.1486486 0.1486487 -0.1486486), wk = 0.0024510 k( 181) = ( 0.1621622 0.1621622 -0.1621622), wk = 0.0024510 k( 182) = ( 0.1756757 0.1756757 -0.1756757), wk = 0.0024510 k( 183) = ( 0.1891892 0.1891892 -0.1891892), wk = 0.0024510 k( 184) = ( 0.2027027 0.2027027 -0.2027027), wk = 0.0024510 k( 185) = ( 0.2162162 0.2162162 -0.2162162), wk = 0.0024510 k( 186) = ( 0.2297297 0.2297297 -0.2297297), wk = 0.0024510 k( 187) = ( 0.2432432 0.2432432 -0.2432432), wk = 0.0024510 k( 188) = ( 0.2567568 0.2567568 -0.2567568), wk = 0.0024510 k( 189) = ( 0.2702703 0.2702703 -0.2702703), wk = 0.0024510 k( 190) = ( 0.2837838 0.2837838 -0.2837838), wk = 0.0024510 k( 191) = ( 0.2972973 0.2972973 -0.2972973), wk = 0.0024510 k( 192) = ( 0.3108108 0.3108108 -0.3108108), wk = 0.0024510 k( 193) = ( 0.3243243 0.3243243 -0.3243243), wk = 0.0024510 k( 194) = ( 0.3378378 0.3378378 -0.3378378), wk = 0.0024510 k( 195) = ( 0.3513514 0.3513514 -0.3513513), wk = 0.0024510 k( 196) = ( 0.3648649 0.3648649 -0.3648649), wk = 0.0024510 k( 197) = ( 0.3783784 0.3783784 -0.3783784), wk = 0.0024510 k( 198) = ( 0.3918919 0.3918919 -0.3918919), wk = 0.0024510 k( 199) = ( 0.4054054 0.4054054 -0.4054054), wk = 0.0024510 k( 200) = ( 0.4189189 0.4189189 -0.4189189), wk = 0.0024510 k( 201) = ( 0.4324324 0.4324324 -0.4324324), wk = 0.0024510 k( 202) = ( 0.4459459 0.4459460 -0.4459459), wk = 0.0024510 k( 203) = ( 0.4594595 0.4594595 -0.4594595), wk = 0.0024510 k( 204) = ( 0.4729730 0.4729730 -0.4729730), wk = 0.0024510 k( 205) = ( 0.4864865 0.4864865 -0.4864865), wk = 0.0024510 k( 206) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024510 k( 207) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024510 k( 208) = ( 0.4945009 0.5054991 -0.4945009), wk = 0.0024510 k( 209) = ( 0.4890018 0.5109982 -0.4890018), wk = 0.0024510 k( 210) = ( 0.4835027 0.5164973 -0.4835027), wk = 0.0024510 k( 211) = ( 0.4780036 0.5219964 -0.4780036), wk = 0.0024510 k( 212) = ( 0.4725045 0.5274955 -0.4725045), wk = 0.0024510 k( 213) = ( 0.4670054 0.5329946 -0.4670054), wk = 0.0024510 k( 214) = ( 0.4615063 0.5384937 -0.4615063), wk = 0.0024510 k( 215) = ( 0.4560072 0.5439928 -0.4560072), wk = 0.0024510 k( 216) = ( 0.4505081 0.5494919 -0.4505081), wk = 0.0024510 k( 217) = ( 0.4450090 0.5549910 -0.4450090), wk = 0.0024510 k( 218) = ( 0.4395099 0.5604900 -0.4395099), wk = 0.0024510 k( 219) = ( 0.4340109 0.5659892 -0.4340108), wk = 0.0024510 k( 220) = ( 0.4285118 0.5714883 -0.4285117), wk = 0.0024510 k( 221) = ( 0.4230127 0.5769873 -0.4230127), wk = 0.0024510 k( 222) = ( 0.4175136 0.5824864 -0.4175136), wk = 0.0024510 k( 223) = ( 0.4120145 0.5879855 -0.4120145), wk = 0.0024510 k( 224) = ( 0.4065154 0.5934846 -0.4065154), wk = 0.0024510 k( 225) = ( 0.4010163 0.5989837 -0.4010163), wk = 0.0024510 k( 226) = ( 0.3955172 0.6044828 -0.3955172), wk = 0.0024510 k( 227) = ( 0.3900181 0.6099819 -0.3900181), wk = 0.0024510 k( 228) = ( 0.3845190 0.6154810 -0.3845190), wk = 0.0024510 k( 229) = ( 0.3790199 0.6209801 -0.3790199), wk = 0.0024510 k( 230) = ( 0.3735208 0.6264792 -0.3735208), wk = 0.0024510 k( 231) = ( 0.3680217 0.6319783 -0.3680217), wk = 0.0024510 k( 232) = ( 0.3625226 0.6374774 -0.3625226), wk = 0.0024510 k( 233) = ( 0.3570235 0.6429765 -0.3570235), wk = 0.0024510 k( 234) = ( 0.3515244 0.6484756 -0.3515244), wk = 0.0024510 k( 235) = ( 0.3460253 0.6539747 -0.3460253), wk = 0.0024510 k( 236) = ( 0.3405262 0.6594738 -0.3405262), wk = 0.0024510 k( 237) = ( 0.3350271 0.6649729 -0.3350271), wk = 0.0024510 k( 238) = ( 0.3295280 0.6704720 -0.3295280), wk = 0.0024510 k( 239) = ( 0.3240289 0.6759711 -0.3240289), wk = 0.0024510 k( 240) = ( 0.3185298 0.6814702 -0.3185298), wk = 0.0024510 k( 241) = ( 0.3130307 0.6869693 -0.3130307), wk = 0.0024510 k( 242) = ( 0.3075316 0.6924683 -0.3075317), wk = 0.0024510 k( 243) = ( 0.3020326 0.6979675 -0.3020326), wk = 0.0024510 k( 244) = ( 0.2965335 0.7034665 -0.2965335), wk = 0.0024510 k( 245) = ( 0.2910344 0.7089656 -0.2910344), wk = 0.0024510 k( 246) = ( 0.2910344 0.7089656 -0.2910344), wk = 0.0024510 k( 247) = ( 0.2764826 0.6985174 -0.2764826), wk = 0.0024510 k( 248) = ( 0.2619309 0.6880691 -0.2619309), wk = 0.0024510 k( 249) = ( 0.2473792 0.6776208 -0.2473792), wk = 0.0024510 k( 250) = ( 0.2328275 0.6671725 -0.2328275), wk = 0.0024510 k( 251) = ( 0.2182758 0.6567242 -0.2182758), wk = 0.0024510 k( 252) = ( 0.2037240 0.6462760 -0.2037241), wk = 0.0024510 k( 253) = ( 0.1891723 0.6358277 -0.1891723), wk = 0.0024510 k( 254) = ( 0.1746206 0.6253794 -0.1746206), wk = 0.0024510 k( 255) = ( 0.1600689 0.6149311 -0.1600689), wk = 0.0024510 k( 256) = ( 0.1455172 0.6044828 -0.1455172), wk = 0.0024510 k( 257) = ( 0.1309655 0.5940345 -0.1309655), wk = 0.0024510 k( 258) = ( 0.1164137 0.5835863 -0.1164137), wk = 0.0024510 k( 259) = ( 0.1018620 0.5731380 -0.1018620), wk = 0.0024510 k( 260) = ( 0.0873103 0.5626897 -0.0873103), wk = 0.0024510 k( 261) = ( 0.0727586 0.5522414 -0.0727586), wk = 0.0024510 k( 262) = ( 0.0582069 0.5417931 -0.0582069), wk = 0.0024510 k( 263) = ( 0.0436551 0.5313448 -0.0436552), wk = 0.0024510 k( 264) = ( 0.0291034 0.5208966 -0.0291034), wk = 0.0024510 k( 265) = ( 0.0145517 0.5104483 -0.0145517), wk = 0.0024510 k( 266) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024510 k( 267) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0024510 k( 268) = ( 0.0055556 0.4944444 0.0055556), wk = 0.0024510 k( 269) = ( 0.0111111 0.4888889 0.0111111), wk = 0.0024510 k( 270) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0024510 k( 271) = ( 0.0222222 0.4777778 0.0222222), wk = 0.0024510 k( 272) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0024510 k( 273) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0024510 k( 274) = ( 0.0388889 0.4611111 0.0388889), wk = 0.0024510 k( 275) = ( 0.0444444 0.4555556 0.0444444), wk = 0.0024510 k( 276) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0024510 k( 277) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0024510 k( 278) = ( 0.0611111 0.4388889 0.0611111), wk = 0.0024510 k( 279) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0024510 k( 280) = ( 0.0722222 0.4277778 0.0722222), wk = 0.0024510 k( 281) = ( 0.0777778 0.4222222 0.0777778), wk = 0.0024510 k( 282) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0024510 k( 283) = ( 0.0888889 0.4111111 0.0888889), wk = 0.0024510 k( 284) = ( 0.0944444 0.4055556 0.0944444), wk = 0.0024510 k( 285) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0024510 k( 286) = ( 0.1055556 0.3944444 0.1055556), wk = 0.0024510 k( 287) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0024510 k( 288) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0024510 k( 289) = ( 0.1222222 0.3777778 0.1222222), wk = 0.0024510 k( 290) = ( 0.1277778 0.3722222 0.1277778), wk = 0.0024510 k( 291) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0024510 k( 292) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0024510 k( 293) = ( 0.1444444 0.3555556 0.1444444), wk = 0.0024510 k( 294) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0024510 k( 295) = ( 0.1555556 0.3444444 0.1555556), wk = 0.0024510 k( 296) = ( 0.1611111 0.3388889 0.1611111), wk = 0.0024510 k( 297) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0024510 k( 298) = ( 0.1722222 0.3277778 0.1722222), wk = 0.0024510 k( 299) = ( 0.1777778 0.3222222 0.1777778), wk = 0.0024510 k( 300) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0024510 k( 301) = ( 0.1888889 0.3111111 0.1888889), wk = 0.0024510 k( 302) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0024510 k( 303) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0024510 k( 304) = ( 0.2055556 0.2944444 0.2055556), wk = 0.0024510 k( 305) = ( 0.2111111 0.2888889 0.2111111), wk = 0.0024510 k( 306) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0024510 k( 307) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0024510 k( 308) = ( 0.2277778 0.2722222 0.2277778), wk = 0.0024510 k( 309) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0024510 k( 310) = ( 0.2388889 0.2611111 0.2388889), wk = 0.0024510 k( 311) = ( 0.2444444 0.2555556 0.2444444), wk = 0.0024510 k( 312) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024510 k( 313) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024510 k( 314) = ( 0.2619048 0.2619048 0.2341872), wk = 0.0024510 k( 315) = ( 0.2738095 0.2738095 0.2183744), wk = 0.0024510 k( 316) = ( 0.2857143 0.2857143 0.2025616), wk = 0.0024510 k( 317) = ( 0.2976190 0.2976191 0.1867488), wk = 0.0024510 k( 318) = ( 0.3095238 0.3095238 0.1709360), wk = 0.0024510 k( 319) = ( 0.3214286 0.3214286 0.1551232), wk = 0.0024510 k( 320) = ( 0.3333333 0.3333333 0.1393104), wk = 0.0024510 k( 321) = ( 0.3452381 0.3452381 0.1234976), wk = 0.0024510 k( 322) = ( 0.3571429 0.3571429 0.1076848), wk = 0.0024510 k( 323) = ( 0.3690476 0.3690476 0.0918720), wk = 0.0024510 k( 324) = ( 0.3809524 0.3809524 0.0760592), wk = 0.0024510 k( 325) = ( 0.3928571 0.3928571 0.0602465), wk = 0.0024510 k( 326) = ( 0.4047619 0.4047619 0.0444337), wk = 0.0024510 k( 327) = ( 0.4166667 0.4166667 0.0286209), wk = 0.0024510 k( 328) = ( 0.4285714 0.4285714 0.0128081), wk = 0.0024510 k( 329) = ( 0.4404762 0.4404762 -0.0030047), wk = 0.0024510 k( 330) = ( 0.4523810 0.4523810 -0.0188175), wk = 0.0024510 k( 331) = ( 0.4642857 0.4642857 -0.0346303), wk = 0.0024510 k( 332) = ( 0.4761905 0.4761905 -0.0504431), wk = 0.0024510 k( 333) = ( 0.4880952 0.4880952 -0.0662559), wk = 0.0024510 k( 334) = ( 0.5000000 0.5000000 -0.0820687), wk = 0.0024510 k( 335) = ( 0.5000000 0.5000000 -0.0820687), wk = 0.0024510 k( 336) = ( 0.5000000 0.5000000 -0.0899542), wk = 0.0024510 k( 337) = ( 0.5000000 0.5000000 -0.0978397), wk = 0.0024510 k( 338) = ( 0.5000000 0.5000000 -0.1057252), wk = 0.0024510 k( 339) = ( 0.5000000 0.5000000 -0.1136107), wk = 0.0024510 k( 340) = ( 0.5000000 0.5000000 -0.1214962), wk = 0.0024510 k( 341) = ( 0.5000000 0.5000000 -0.1293817), wk = 0.0024510 k( 342) = ( 0.5000000 0.5000000 -0.1372672), wk = 0.0024510 k( 343) = ( 0.5000000 0.5000000 -0.1451527), wk = 0.0024510 k( 344) = ( 0.5000000 0.5000000 -0.1530382), wk = 0.0024510 k( 345) = ( 0.5000000 0.5000000 -0.1609237), wk = 0.0024510 k( 346) = ( 0.5000000 0.5000000 -0.1688092), wk = 0.0024510 k( 347) = ( 0.5000000 0.5000000 -0.1766947), wk = 0.0024510 k( 348) = ( 0.5000000 0.5000000 -0.1845802), wk = 0.0024510 k( 349) = ( 0.5000000 0.5000000 -0.1924657), wk = 0.0024510 k( 350) = ( 0.5000000 0.5000000 -0.2003512), wk = 0.0024510 k( 351) = ( 0.5000000 0.5000000 -0.2082367), wk = 0.0024510 k( 352) = ( 0.5000000 0.5000000 -0.2161222), wk = 0.0024510 k( 353) = ( 0.5000000 0.5000000 -0.2240077), wk = 0.0024510 k( 354) = ( 0.5000000 0.5000000 -0.2318931), wk = 0.0024510 k( 355) = ( 0.5000000 0.5000000 -0.2397786), wk = 0.0024510 k( 356) = ( 0.5000000 0.5000000 -0.2476641), wk = 0.0024510 k( 357) = ( 0.5000000 0.5000000 -0.2555496), wk = 0.0024510 k( 358) = ( 0.5000000 0.5000000 -0.2634351), wk = 0.0024510 k( 359) = ( 0.5000000 0.5000000 -0.2713206), wk = 0.0024510 k( 360) = ( 0.5000000 0.5000000 -0.2792061), wk = 0.0024510 k( 361) = ( 0.5000000 0.5000000 -0.2870916), wk = 0.0024510 k( 362) = ( 0.5000000 0.5000000 -0.2949771), wk = 0.0024510 k( 363) = ( 0.5000000 0.5000000 -0.3028626), wk = 0.0024510 k( 364) = ( 0.5000000 0.5000000 -0.3107481), wk = 0.0024510 k( 365) = ( 0.5000000 0.5000000 -0.3186336), wk = 0.0024510 k( 366) = ( 0.5000000 0.5000000 -0.3265191), wk = 0.0024510 k( 367) = ( 0.5000000 0.5000000 -0.3344046), wk = 0.0024510 k( 368) = ( 0.5000000 0.5000000 -0.3422901), wk = 0.0024510 k( 369) = ( 0.5000000 0.5000000 -0.3501756), wk = 0.0024510 k( 370) = ( 0.5000000 0.5000000 -0.3580611), wk = 0.0024510 k( 371) = ( 0.5000000 0.5000000 -0.3659466), wk = 0.0024510 k( 372) = ( 0.5000000 0.5000000 -0.3738321), wk = 0.0024510 k( 373) = ( 0.5000000 0.5000000 -0.3817176), wk = 0.0024510 k( 374) = ( 0.5000000 0.5000000 -0.3896031), wk = 0.0024510 k( 375) = ( 0.5000000 0.5000000 -0.3974885), wk = 0.0024510 k( 376) = ( 0.5000000 0.5000000 -0.4053740), wk = 0.0024510 k( 377) = ( 0.5000000 0.5000000 -0.4132595), wk = 0.0024510 k( 378) = ( 0.5000000 0.5000000 -0.4211450), wk = 0.0024510 k( 379) = ( 0.5000000 0.5000000 -0.4290305), wk = 0.0024510 k( 380) = ( 0.5000000 0.5000000 -0.4369160), wk = 0.0024510 k( 381) = ( 0.5000000 0.5000000 -0.4448015), wk = 0.0024510 k( 382) = ( 0.5000000 0.5000000 -0.4526870), wk = 0.0024510 k( 383) = ( 0.5000000 0.5000000 -0.4605725), wk = 0.0024510 k( 384) = ( 0.5000000 0.5000000 -0.4684580), wk = 0.0024510 k( 385) = ( 0.5000000 0.5000000 -0.4763435), wk = 0.0024510 k( 386) = ( 0.5000000 0.5000000 -0.4842290), wk = 0.0024510 k( 387) = ( 0.5000000 0.5000000 -0.4921145), wk = 0.0024510 k( 388) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024510 k( 389) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024510 k( 390) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0024510 k( 391) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0024510 k( 392) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0024510 k( 393) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0024510 k( 394) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0024510 k( 395) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0024510 k( 396) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0024510 k( 397) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0024510 k( 398) = ( 0.1184210 0.1184210 0.3815789), wk = 0.0024510 k( 399) = ( 0.1315790 0.1315790 0.3684210), wk = 0.0024510 k( 400) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0024510 k( 401) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0024510 k( 402) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0024510 k( 403) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0024510 k( 404) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0024510 k( 405) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0024510 k( 406) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0024510 k( 407) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0024510 k( 408) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024510 Dense grid: 53985 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 17537 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 126, 34) NL pseudopotentials 0.08 Mb ( 63, 84) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1499) G-vector shells 0.01 Mb ( 697) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 126, 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 : ./ZrAu2.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 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.1 secs Computing kpt #: 4 total cpu time spent up to now is 3.4 secs Computing kpt #: 5 total cpu time spent up to now is 3.8 secs Computing kpt #: 6 total cpu time spent up to now is 4.1 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.3 secs Computing kpt #: 11 total cpu time spent up to now is 5.6 secs Computing kpt #: 12 total cpu time spent up to now is 5.9 secs Computing kpt #: 13 total cpu time spent up to now is 6.3 secs Computing kpt #: 14 total cpu time spent up to now is 6.6 secs Computing kpt #: 15 total cpu time spent up to now is 6.9 secs Computing kpt #: 16 total cpu time spent up to now is 7.3 secs Computing kpt #: 17 total cpu time spent up to now is 7.6 secs Computing kpt #: 18 total cpu time spent up to now is 7.9 secs Computing kpt #: 19 total cpu time spent up to now is 8.3 secs Computing kpt #: 20 total cpu time spent up to now is 8.6 secs Computing kpt #: 21 total cpu time spent up to now is 9.0 secs Computing kpt #: 22 total cpu time spent up to now is 9.4 secs Computing kpt #: 23 total cpu time spent up to now is 9.8 secs Computing kpt #: 24 total cpu time spent up to now is 10.2 secs Computing kpt #: 25 total cpu time spent up to now is 10.7 secs Computing kpt #: 26 total cpu time spent up to now is 11.0 secs Computing kpt #: 27 total cpu time spent up to now is 11.4 secs Computing kpt #: 28 total cpu time spent up to now is 11.8 secs Computing kpt #: 29 total cpu time spent up to now is 12.2 secs Computing kpt #: 30 total cpu time spent up to now is 12.6 secs Computing kpt #: 31 total cpu time spent up to now is 13.0 secs Computing kpt #: 32 total cpu time spent up to now is 13.3 secs Computing kpt #: 33 total cpu time spent up to now is 13.7 secs Computing kpt #: 34 total cpu time spent up to now is 14.0 secs Computing kpt #: 35 total cpu time spent up to now is 14.4 secs Computing kpt #: 36 total cpu time spent up to now is 14.7 secs Computing kpt #: 37 total cpu time spent up to now is 15.1 secs Computing kpt #: 38 total cpu time spent up to now is 15.4 secs Computing kpt #: 39 total cpu time spent up to now is 15.7 secs Computing kpt #: 40 total cpu time spent up to now is 16.1 secs Computing kpt #: 41 total cpu time spent up to now is 16.4 secs Computing kpt #: 42 total cpu time spent up to now is 16.8 secs Computing kpt #: 43 total cpu time spent up to now is 17.1 secs Computing kpt #: 44 total cpu time spent up to now is 17.4 secs Computing kpt #: 45 total cpu time spent up to now is 17.8 secs Computing kpt #: 46 total cpu time spent up to now is 18.1 secs Computing kpt #: 47 total cpu time spent up to now is 18.4 secs Computing kpt #: 48 total cpu time spent up to now is 18.8 secs Computing kpt #: 49 total cpu time spent up to now is 19.1 secs Computing kpt #: 50 total cpu time spent up to now is 19.4 secs Computing kpt #: 51 total cpu time spent up to now is 19.8 secs Computing kpt #: 52 total cpu time spent up to now is 20.1 secs Computing kpt #: 53 total cpu time spent up to now is 20.5 secs Computing kpt #: 54 total cpu time spent up to now is 20.8 secs Computing kpt #: 55 total cpu time spent up to now is 21.1 secs Computing kpt #: 56 total cpu time spent up to now is 21.5 secs Computing kpt #: 57 total cpu time spent up to now is 21.9 secs Computing kpt #: 58 total cpu time spent up to now is 22.2 secs Computing kpt #: 59 total cpu time spent up to now is 22.6 secs Computing kpt #: 60 total cpu time spent up to now is 23.0 secs Computing kpt #: 61 total cpu time spent up to now is 23.4 secs Computing kpt #: 62 total cpu time spent up to now is 23.7 secs Computing kpt #: 63 total cpu time spent up to now is 24.1 secs Computing kpt #: 64 total cpu time spent up to now is 24.4 secs Computing kpt #: 65 total cpu time spent up to now is 24.7 secs Computing kpt #: 66 total cpu time spent up to now is 25.0 secs Computing kpt #: 67 total cpu time spent up to now is 25.3 secs Computing kpt #: 68 total cpu time spent up to now is 25.7 secs Computing kpt #: 69 total cpu time spent up to now is 26.0 secs Computing kpt #: 70 total cpu time spent up to now is 26.3 secs Computing kpt #: 71 total cpu time spent up to now is 26.7 secs Computing kpt #: 72 total cpu time spent up to now is 27.0 secs Computing kpt #: 73 total cpu time spent up to now is 27.4 secs Computing kpt #: 74 total cpu time spent up to now is 27.8 secs Computing kpt #: 75 total cpu time spent up to now is 28.2 secs Computing kpt #: 76 total cpu time spent up to now is 28.6 secs Computing kpt #: 77 total cpu time spent up to now is 29.0 secs Computing kpt #: 78 total cpu time spent up to now is 29.5 secs Computing kpt #: 79 total cpu time spent up to now is 29.9 secs Computing kpt #: 80 total cpu time spent up to now is 30.4 secs Computing kpt #: 81 total cpu time spent up to now is 30.9 secs Computing kpt #: 82 total cpu time spent up to now is 31.3 secs Computing kpt #: 83 total cpu time spent up to now is 31.8 secs Computing kpt #: 84 total cpu time spent up to now is 32.2 secs Computing kpt #: 85 total cpu time spent up to now is 32.6 secs Computing kpt #: 86 total cpu time spent up to now is 33.1 secs Computing kpt #: 87 total cpu time spent up to now is 33.4 secs Computing kpt #: 88 total cpu time spent up to now is 33.9 secs Computing kpt #: 89 total cpu time spent up to now is 34.3 secs Computing kpt #: 90 total cpu time spent up to now is 34.7 secs Computing kpt #: 91 total cpu time spent up to now is 35.2 secs Computing kpt #: 92 total cpu time spent up to now is 35.6 secs Computing kpt #: 93 total cpu time spent up to now is 36.0 secs Computing kpt #: 94 total cpu time spent up to now is 36.5 secs Computing kpt #: 95 total cpu time spent up to now is 36.9 secs Computing kpt #: 96 total cpu time spent up to now is 37.3 secs Computing kpt #: 97 total cpu time spent up to now is 37.7 secs Computing kpt #: 98 total cpu time spent up to now is 38.1 secs Computing kpt #: 99 total cpu time spent up to now is 38.5 secs Computing kpt #: 100 total cpu time spent up to now is 38.8 secs Computing kpt #: 101 total cpu time spent up to now is 39.2 secs Computing kpt #: 102 total cpu time spent up to now is 39.5 secs Computing kpt #: 103 total cpu time spent up to now is 39.8 secs Computing kpt #: 104 total cpu time spent up to now is 40.2 secs Computing kpt #: 105 total cpu time spent up to now is 40.6 secs Computing kpt #: 106 total cpu time spent up to now is 40.9 secs Computing kpt #: 107 total cpu time spent up to now is 41.2 secs Computing kpt #: 108 total cpu time spent up to now is 41.6 secs Computing kpt #: 109 total cpu time spent up to now is 41.9 secs Computing kpt #: 110 total cpu time spent up to now is 42.2 secs Computing kpt #: 111 total cpu time spent up to now is 42.6 secs Computing kpt #: 112 total cpu time spent up to now is 42.9 secs Computing kpt #: 113 total cpu time spent up to now is 43.3 secs Computing kpt #: 114 total cpu time spent up to now is 43.6 secs Computing kpt #: 115 total cpu time spent up to now is 43.9 secs Computing kpt #: 116 total cpu time spent up to now is 44.3 secs Computing kpt #: 117 total cpu time spent up to now is 44.6 secs Computing kpt #: 118 total cpu time spent up to now is 44.9 secs Computing kpt #: 119 total cpu time spent up to now is 45.3 secs Computing kpt #: 120 total cpu time spent up to now is 45.6 secs Computing kpt #: 121 total cpu time spent up to now is 45.9 secs Computing kpt #: 122 total cpu time spent up to now is 46.2 secs Computing kpt #: 123 total cpu time spent up to now is 46.6 secs Computing kpt #: 124 total cpu time spent up to now is 46.9 secs Computing kpt #: 125 total cpu time spent up to now is 47.2 secs Computing kpt #: 126 total cpu time spent up to now is 47.6 secs Computing kpt #: 127 total cpu time spent up to now is 47.9 secs Computing kpt #: 128 total cpu time spent up to now is 48.2 secs Computing kpt #: 129 total cpu time spent up to now is 48.6 secs Computing kpt #: 130 total cpu time spent up to now is 48.9 secs Computing kpt #: 131 total cpu time spent up to now is 49.2 secs Computing kpt #: 132 total cpu time spent up to now is 49.6 secs Computing kpt #: 133 total cpu time spent up to now is 49.9 secs Computing kpt #: 134 total cpu time spent up to now is 50.2 secs Computing kpt #: 135 total cpu time spent up to now is 50.6 secs Computing kpt #: 136 total cpu time spent up to now is 50.9 secs Computing kpt #: 137 total cpu time spent up to now is 51.3 secs Computing kpt #: 138 total cpu time spent up to now is 51.6 secs Computing kpt #: 139 total cpu time spent up to now is 51.9 secs Computing kpt #: 140 total cpu time spent up to now is 52.3 secs Computing kpt #: 141 total cpu time spent up to now is 52.6 secs Computing kpt #: 142 total cpu time spent up to now is 53.0 secs Computing kpt #: 143 total cpu time spent up to now is 53.3 secs Computing kpt #: 144 total cpu time spent up to now is 53.6 secs Computing kpt #: 145 total cpu time spent up to now is 54.0 secs Computing kpt #: 146 total cpu time spent up to now is 54.3 secs Computing kpt #: 147 total cpu time spent up to now is 54.7 secs Computing kpt #: 148 total cpu time spent up to now is 55.0 secs Computing kpt #: 149 total cpu time spent up to now is 55.4 secs Computing kpt #: 150 total cpu time spent up to now is 55.7 secs Computing kpt #: 151 total cpu time spent up to now is 56.1 secs Computing kpt #: 152 total cpu time spent up to now is 56.4 secs Computing kpt #: 153 total cpu time spent up to now is 56.7 secs Computing kpt #: 154 total cpu time spent up to now is 57.1 secs Computing kpt #: 155 total cpu time spent up to now is 57.4 secs Computing kpt #: 156 total cpu time spent up to now is 57.7 secs Computing kpt #: 157 total cpu time spent up to now is 58.9 secs Computing kpt #: 158 total cpu time spent up to now is 59.2 secs Computing kpt #: 159 total cpu time spent up to now is 59.5 secs Computing kpt #: 160 total cpu time spent up to now is 59.8 secs Computing kpt #: 161 total cpu time spent up to now is 60.1 secs Computing kpt #: 162 total cpu time spent up to now is 60.4 secs Computing kpt #: 163 total cpu time spent up to now is 60.7 secs Computing kpt #: 164 total cpu time spent up to now is 61.1 secs Computing kpt #: 165 total cpu time spent up to now is 61.4 secs Computing kpt #: 166 total cpu time spent up to now is 61.7 secs Computing kpt #: 167 total cpu time spent up to now is 62.0 secs Computing kpt #: 168 total cpu time spent up to now is 62.3 secs Computing kpt #: 169 total cpu time spent up to now is 62.6 secs Computing kpt #: 170 total cpu time spent up to now is 62.9 secs Computing kpt #: 171 total cpu time spent up to now is 63.2 secs Computing kpt #: 172 total cpu time spent up to now is 63.5 secs Computing kpt #: 173 total cpu time spent up to now is 63.8 secs Computing kpt #: 174 total cpu time spent up to now is 64.1 secs Computing kpt #: 175 total cpu time spent up to now is 64.4 secs Computing kpt #: 176 total cpu time spent up to now is 64.7 secs Computing kpt #: 177 total cpu time spent up to now is 65.0 secs Computing kpt #: 178 total cpu time spent up to now is 65.3 secs Computing kpt #: 179 total cpu time spent up to now is 65.6 secs Computing kpt #: 180 total cpu time spent up to now is 66.0 secs Computing kpt #: 181 total cpu time spent up to now is 66.3 secs Computing kpt #: 182 total cpu time spent up to now is 66.6 secs Computing kpt #: 183 total cpu time spent up to now is 66.9 secs Computing kpt #: 184 total cpu time spent up to now is 67.2 secs Computing kpt #: 185 total cpu time spent up to now is 67.5 secs Computing kpt #: 186 total cpu time spent up to now is 67.8 secs Computing kpt #: 187 total cpu time spent up to now is 68.1 secs Computing kpt #: 188 total cpu time spent up to now is 68.4 secs Computing kpt #: 189 total cpu time spent up to now is 68.7 secs Computing kpt #: 190 total cpu time spent up to now is 69.1 secs Computing kpt #: 191 total cpu time spent up to now is 69.4 secs Computing kpt #: 192 total cpu time spent up to now is 69.7 secs Computing kpt #: 193 total cpu time spent up to now is 70.0 secs Computing kpt #: 194 total cpu time spent up to now is 70.3 secs Computing kpt #: 195 total cpu time spent up to now is 70.6 secs Computing kpt #: 196 total cpu time spent up to now is 70.9 secs Computing kpt #: 197 total cpu time spent up to now is 71.2 secs Computing kpt #: 198 total cpu time spent up to now is 71.5 secs Computing kpt #: 199 total cpu time spent up to now is 71.8 secs Computing kpt #: 200 total cpu time spent up to now is 72.1 secs Computing kpt #: 201 total cpu time spent up to now is 72.4 secs Computing kpt #: 202 total cpu time spent up to now is 72.7 secs Computing kpt #: 203 total cpu time spent up to now is 73.1 secs Computing kpt #: 204 total cpu time spent up to now is 73.4 secs Computing kpt #: 205 total cpu time spent up to now is 73.7 secs Computing kpt #: 206 total cpu time spent up to now is 74.0 secs Computing kpt #: 207 total cpu time spent up to now is 74.3 secs Computing kpt #: 208 total cpu time spent up to now is 74.7 secs Computing kpt #: 209 total cpu time spent up to now is 75.0 secs Computing kpt #: 210 total cpu time spent up to now is 75.3 secs Computing kpt #: 211 total cpu time spent up to now is 75.7 secs Computing kpt #: 212 total cpu time spent up to now is 76.0 secs Computing kpt #: 213 total cpu time spent up to now is 76.3 secs Computing kpt #: 214 total cpu time spent up to now is 76.6 secs Computing kpt #: 215 total cpu time spent up to now is 77.0 secs Computing kpt #: 216 total cpu time spent up to now is 77.3 secs Computing kpt #: 217 total cpu time spent up to now is 77.7 secs Computing kpt #: 218 total cpu time spent up to now is 78.0 secs Computing kpt #: 219 total cpu time spent up to now is 78.3 secs Computing kpt #: 220 total cpu time spent up to now is 78.7 secs Computing kpt #: 221 total cpu time spent up to now is 79.0 secs Computing kpt #: 222 total cpu time spent up to now is 79.3 secs Computing kpt #: 223 total cpu time spent up to now is 79.7 secs Computing kpt #: 224 total cpu time spent up to now is 80.0 secs Computing kpt #: 225 total cpu time spent up to now is 80.4 secs Computing kpt #: 226 total cpu time spent up to now is 80.7 secs Computing kpt #: 227 total cpu time spent up to now is 81.0 secs Computing kpt #: 228 total cpu time spent up to now is 81.4 secs Computing kpt #: 229 total cpu time spent up to now is 81.7 secs Computing kpt #: 230 total cpu time spent up to now is 82.1 secs Computing kpt #: 231 total cpu time spent up to now is 82.4 secs Computing kpt #: 232 total cpu time spent up to now is 82.7 secs Computing kpt #: 233 total cpu time spent up to now is 83.1 secs Computing kpt #: 234 total cpu time spent up to now is 83.4 secs Computing kpt #: 235 total cpu time spent up to now is 83.8 secs Computing kpt #: 236 total cpu time spent up to now is 84.1 secs Computing kpt #: 237 total cpu time spent up to now is 84.5 secs Computing kpt #: 238 total cpu time spent up to now is 84.8 secs Computing kpt #: 239 total cpu time spent up to now is 85.1 secs Computing kpt #: 240 total cpu time spent up to now is 85.4 secs Computing kpt #: 241 total cpu time spent up to now is 85.8 secs Computing kpt #: 242 total cpu time spent up to now is 86.1 secs Computing kpt #: 243 total cpu time spent up to now is 86.4 secs Computing kpt #: 244 total cpu time spent up to now is 86.8 secs Computing kpt #: 245 total cpu time spent up to now is 87.1 secs Computing kpt #: 246 total cpu time spent up to now is 87.4 secs Computing kpt #: 247 total cpu time spent up to now is 87.8 secs Computing kpt #: 248 total cpu time spent up to now is 88.2 secs Computing kpt #: 249 total cpu time spent up to now is 88.6 secs Computing kpt #: 250 total cpu time spent up to now is 88.9 secs Computing kpt #: 251 total cpu time spent up to now is 89.2 secs Computing kpt #: 252 total cpu time spent up to now is 89.5 secs Computing kpt #: 253 total cpu time spent up to now is 89.9 secs Computing kpt #: 254 total cpu time spent up to now is 90.2 secs Computing kpt #: 255 total cpu time spent up to now is 90.5 secs Computing kpt #: 256 total cpu time spent up to now is 90.9 secs Computing kpt #: 257 total cpu time spent up to now is 91.2 secs Computing kpt #: 258 total cpu time spent up to now is 91.5 secs Computing kpt #: 259 total cpu time spent up to now is 91.9 secs Computing kpt #: 260 total cpu time spent up to now is 92.2 secs Computing kpt #: 261 total cpu time spent up to now is 92.5 secs Computing kpt #: 262 total cpu time spent up to now is 92.9 secs Computing kpt #: 263 total cpu time spent up to now is 93.2 secs Computing kpt #: 264 total cpu time spent up to now is 93.5 secs Computing kpt #: 265 total cpu time spent up to now is 93.8 secs Computing kpt #: 266 total cpu time spent up to now is 94.2 secs Computing kpt #: 267 total cpu time spent up to now is 94.5 secs Computing kpt #: 268 total cpu time spent up to now is 94.8 secs Computing kpt #: 269 total cpu time spent up to now is 95.2 secs Computing kpt #: 270 total cpu time spent up to now is 95.5 secs Computing kpt #: 271 total cpu time spent up to now is 95.8 secs Computing kpt #: 272 total cpu time spent up to now is 96.2 secs Computing kpt #: 273 total cpu time spent up to now is 96.5 secs Computing kpt #: 274 total cpu time spent up to now is 96.8 secs Computing kpt #: 275 total cpu time spent up to now is 97.2 secs Computing kpt #: 276 total cpu time spent up to now is 97.5 secs Computing kpt #: 277 total cpu time spent up to now is 97.9 secs Computing kpt #: 278 total cpu time spent up to now is 98.3 secs Computing kpt #: 279 total cpu time spent up to now is 98.6 secs Computing kpt #: 280 total cpu time spent up to now is 99.1 secs Computing kpt #: 281 total cpu time spent up to now is 99.5 secs Computing kpt #: 282 total cpu time spent up to now is 100.0 secs Computing kpt #: 283 total cpu time spent up to now is 100.5 secs Computing kpt #: 284 total cpu time spent up to now is 101.0 secs Computing kpt #: 285 total cpu time spent up to now is 101.5 secs Computing kpt #: 286 total cpu time spent up to now is 102.1 secs Computing kpt #: 287 total cpu time spent up to now is 102.7 secs Computing kpt #: 288 total cpu time spent up to now is 106.2 secs Computing kpt #: 289 total cpu time spent up to now is 106.7 secs Computing kpt #: 290 total cpu time spent up to now is 107.2 secs Computing kpt #: 291 total cpu time spent up to now is 107.7 secs Computing kpt #: 292 total cpu time spent up to now is 108.1 secs Computing kpt #: 293 total cpu time spent up to now is 108.6 secs Computing kpt #: 294 total cpu time spent up to now is 109.1 secs Computing kpt #: 295 total cpu time spent up to now is 109.6 secs Computing kpt #: 296 total cpu time spent up to now is 110.0 secs Computing kpt #: 297 total cpu time spent up to now is 110.5 secs Computing kpt #: 298 total cpu time spent up to now is 111.0 secs Computing kpt #: 299 total cpu time spent up to now is 111.5 secs Computing kpt #: 300 total cpu time spent up to now is 112.0 secs Computing kpt #: 301 total cpu time spent up to now is 112.6 secs Computing kpt #: 302 total cpu time spent up to now is 113.1 secs Computing kpt #: 303 total cpu time spent up to now is 113.6 secs Computing kpt #: 304 total cpu time spent up to now is 114.1 secs Computing kpt #: 305 total cpu time spent up to now is 114.7 secs Computing kpt #: 306 total cpu time spent up to now is 115.1 secs Computing kpt #: 307 total cpu time spent up to now is 115.6 secs Computing kpt #: 308 total cpu time spent up to now is 116.0 secs Computing kpt #: 309 total cpu time spent up to now is 116.5 secs Computing kpt #: 310 total cpu time spent up to now is 116.8 secs Computing kpt #: 311 total cpu time spent up to now is 117.2 secs Computing kpt #: 312 total cpu time spent up to now is 117.6 secs Computing kpt #: 313 total cpu time spent up to now is 118.0 secs Computing kpt #: 314 total cpu time spent up to now is 118.5 secs Computing kpt #: 315 total cpu time spent up to now is 118.9 secs Computing kpt #: 316 total cpu time spent up to now is 119.4 secs Computing kpt #: 317 total cpu time spent up to now is 119.9 secs Computing kpt #: 318 total cpu time spent up to now is 120.5 secs Computing kpt #: 319 total cpu time spent up to now is 121.0 secs Computing kpt #: 320 total cpu time spent up to now is 121.6 secs Computing kpt #: 321 total cpu time spent up to now is 122.1 secs Computing kpt #: 322 total cpu time spent up to now is 122.6 secs Computing kpt #: 323 total cpu time spent up to now is 122.9 secs Computing kpt #: 324 total cpu time spent up to now is 123.3 secs Computing kpt #: 325 total cpu time spent up to now is 123.7 secs Computing kpt #: 326 total cpu time spent up to now is 124.1 secs Computing kpt #: 327 total cpu time spent up to now is 124.5 secs Computing kpt #: 328 total cpu time spent up to now is 124.9 secs Computing kpt #: 329 total cpu time spent up to now is 125.3 secs Computing kpt #: 330 total cpu time spent up to now is 125.6 secs Computing kpt #: 331 total cpu time spent up to now is 126.0 secs Computing kpt #: 332 total cpu time spent up to now is 126.4 secs Computing kpt #: 333 total cpu time spent up to now is 126.8 secs Computing kpt #: 334 total cpu time spent up to now is 127.2 secs Computing kpt #: 335 total cpu time spent up to now is 127.6 secs Computing kpt #: 336 total cpu time spent up to now is 128.1 secs Computing kpt #: 337 total cpu time spent up to now is 128.6 secs Computing kpt #: 338 total cpu time spent up to now is 129.1 secs Computing kpt #: 339 total cpu time spent up to now is 129.5 secs Computing kpt #: 340 total cpu time spent up to now is 129.9 secs Computing kpt #: 341 total cpu time spent up to now is 130.3 secs Computing kpt #: 342 total cpu time spent up to now is 130.7 secs Computing kpt #: 343 total cpu time spent up to now is 131.1 secs Computing kpt #: 344 total cpu time spent up to now is 131.5 secs Computing kpt #: 345 total cpu time spent up to now is 131.8 secs Computing kpt #: 346 total cpu time spent up to now is 132.1 secs Computing kpt #: 347 total cpu time spent up to now is 132.5 secs Computing kpt #: 348 total cpu time spent up to now is 132.9 secs Computing kpt #: 349 total cpu time spent up to now is 133.3 secs Computing kpt #: 350 total cpu time spent up to now is 133.7 secs Computing kpt #: 351 total cpu time spent up to now is 134.1 secs Computing kpt #: 352 total cpu time spent up to now is 134.4 secs Computing kpt #: 353 total cpu time spent up to now is 134.8 secs Computing kpt #: 354 total cpu time spent up to now is 135.1 secs Computing kpt #: 355 total cpu time spent up to now is 135.5 secs Computing kpt #: 356 total cpu time spent up to now is 135.8 secs Computing kpt #: 357 total cpu time spent up to now is 136.1 secs Computing kpt #: 358 total cpu time spent up to now is 136.5 secs Computing kpt #: 359 total cpu time spent up to now is 136.8 secs Computing kpt #: 360 total cpu time spent up to now is 137.2 secs Computing kpt #: 361 total cpu time spent up to now is 137.5 secs Computing kpt #: 362 total cpu time spent up to now is 137.8 secs Computing kpt #: 363 total cpu time spent up to now is 138.2 secs Computing kpt #: 364 total cpu time spent up to now is 138.5 secs Computing kpt #: 365 total cpu time spent up to now is 138.8 secs Computing kpt #: 366 total cpu time spent up to now is 139.1 secs Computing kpt #: 367 total cpu time spent up to now is 139.5 secs Computing kpt #: 368 total cpu time spent up to now is 139.8 secs Computing kpt #: 369 total cpu time spent up to now is 140.1 secs Computing kpt #: 370 total cpu time spent up to now is 140.4 secs Computing kpt #: 371 total cpu time spent up to now is 140.8 secs Computing kpt #: 372 total cpu time spent up to now is 141.1 secs Computing kpt #: 373 total cpu time spent up to now is 141.4 secs Computing kpt #: 374 total cpu time spent up to now is 141.7 secs Computing kpt #: 375 total cpu time spent up to now is 142.1 secs Computing kpt #: 376 total cpu time spent up to now is 142.4 secs Computing kpt #: 377 total cpu time spent up to now is 142.7 secs Computing kpt #: 378 total cpu time spent up to now is 143.1 secs Computing kpt #: 379 total cpu time spent up to now is 143.4 secs Computing kpt #: 380 total cpu time spent up to now is 146.3 secs Computing kpt #: 381 total cpu time spent up to now is 146.7 secs Computing kpt #: 382 total cpu time spent up to now is 147.0 secs Computing kpt #: 383 total cpu time spent up to now is 147.3 secs Computing kpt #: 384 total cpu time spent up to now is 147.7 secs Computing kpt #: 385 total cpu time spent up to now is 148.0 secs Computing kpt #: 386 total cpu time spent up to now is 148.4 secs Computing kpt #: 387 total cpu time spent up to now is 148.7 secs Computing kpt #: 388 total cpu time spent up to now is 149.0 secs Computing kpt #: 389 total cpu time spent up to now is 149.3 secs Computing kpt #: 390 total cpu time spent up to now is 149.6 secs Computing kpt #: 391 total cpu time spent up to now is 150.0 secs Computing kpt #: 392 total cpu time spent up to now is 150.3 secs Computing kpt #: 393 total cpu time spent up to now is 150.6 secs Computing kpt #: 394 total cpu time spent up to now is 150.9 secs Computing kpt #: 395 total cpu time spent up to now is 151.3 secs Computing kpt #: 396 total cpu time spent up to now is 151.6 secs Computing kpt #: 397 total cpu time spent up to now is 151.9 secs Computing kpt #: 398 total cpu time spent up to now is 152.3 secs Computing kpt #: 399 total cpu time spent up to now is 152.6 secs Computing kpt #: 400 total cpu time spent up to now is 153.0 secs Computing kpt #: 401 total cpu time spent up to now is 153.4 secs Computing kpt #: 402 total cpu time spent up to now is 153.9 secs Computing kpt #: 403 total cpu time spent up to now is 154.5 secs Computing kpt #: 404 total cpu time spent up to now is 155.0 secs Computing kpt #: 405 total cpu time spent up to now is 155.5 secs Computing kpt #: 406 total cpu time spent up to now is 156.1 secs Computing kpt #: 407 total cpu time spent up to now is 156.4 secs Computing kpt #: 408 total cpu time spent up to now is 156.8 secs ethr = 3.85E-08, avg # of iterations = 20.7 total cpu time spent up to now is 156.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2187 PWs) bands (ev): 4.9113 4.9113 7.7000 7.7000 7.9752 7.9752 8.1084 8.1084 8.1412 8.1412 9.2710 9.2710 9.4373 9.4373 9.4885 9.4885 9.7668 9.7668 9.8116 9.8116 10.8967 10.8967 12.2898 12.2898 14.5265 14.5265 14.5476 14.5476 14.9117 14.9117 16.4248 16.4248 17.0791 17.0791 k = 0.0000 0.0000 0.0160 ( 2183 PWs) bands (ev): 4.9133 4.9133 7.7003 7.7003 7.9753 7.9753 8.1082 8.1082 8.1411 8.1411 9.2693 9.2693 9.4342 9.4342 9.4907 9.4907 9.7647 9.7647 9.8161 9.8161 10.8951 10.8951 12.2914 12.2914 14.5255 14.5255 14.5478 14.5478 14.9088 14.9088 16.4338 16.4338 17.0786 17.0786 k = 0.0000 0.0000 0.0319 ( 2183 PWs) bands (ev): 4.9193 4.9193 7.7011 7.7011 7.9754 7.9754 8.1077 8.1077 8.1408 8.1408 9.2642 9.2642 9.4258 9.4258 9.4965 9.4965 9.7603 9.7603 9.8274 9.8274 10.8902 10.8902 12.2961 12.2961 14.5226 14.5226 14.5486 14.5486 14.9003 14.9003 16.4605 16.4605 17.0773 17.0773 k = 0.0000 0.0000 0.0479 ( 2187 PWs) bands (ev): 4.9292 4.9292 7.7024 7.7024 7.9757 7.9757 8.1067 8.1067 8.1403 8.1403 9.2564 9.2564 9.4132 9.4132 9.5045 9.5045 9.7560 9.7560 9.8428 9.8428 10.8822 10.8822 12.3039 12.3039 14.5177 14.5177 14.5500 14.5500 14.8869 14.8869 16.5041 16.5041 17.0749 17.0749 k = 0.0000 0.0000 0.0639 ( 2189 PWs) bands (ev): 4.9430 4.9430 7.7043 7.7043 7.9760 7.9760 8.1053 8.1053 8.1396 8.1396 9.2465 9.2465 9.3973 9.3973 9.5134 9.5134 9.7528 9.7528 9.8611 9.8611 10.8714 10.8714 12.3147 12.3147 14.5111 14.5111 14.5520 14.5520 14.8694 14.8694 16.5632 16.5632 17.0715 17.0715 k = 0.0000 0.0000 0.0798 ( 2189 PWs) bands (ev): 4.9607 4.9607 7.7067 7.7067 7.9764 7.9764 8.1033 8.1033 8.1388 8.1388 9.2352 9.2352 9.3789 9.3789 9.5226 9.5226 9.7509 9.7509 9.8813 9.8813 10.8582 10.8582 12.3283 12.3283 14.5029 14.5029 14.5547 14.5547 14.8489 14.8489 16.6363 16.6363 17.0670 17.0670 k = 0.0000 0.0000 0.0958 ( 2193 PWs) bands (ev): 4.9822 4.9822 7.7096 7.7096 7.9769 7.9769 8.1007 8.1007 8.1379 8.1379 9.2231 9.2231 9.3584 9.3584 9.5314 9.5314 9.7503 9.7503 9.9031 9.9031 10.8430 10.8430 12.3445 12.3445 14.4934 14.4934 14.5580 14.5580 14.8264 14.8264 16.7218 16.7218 17.0614 17.0614 k = 0.0000 0.0000 0.1118 ( 2195 PWs) bands (ev): 5.0076 5.0076 7.7130 7.7130 7.9775 7.9775 8.0972 8.0972 8.1371 8.1371 9.2107 9.2107 9.3364 9.3364 9.5394 9.5394 9.7508 9.7508 9.9261 9.9261 10.8264 10.8264 12.3633 12.3633 14.4828 14.4828 14.5618 14.5618 14.8025 14.8025 16.8174 16.8174 17.0551 17.0551 k = 0.0000 0.0000 0.1277 ( 2195 PWs) bands (ev): 5.0366 5.0366 7.7168 7.7168 7.9781 7.9781 8.0929 8.0929 8.1363 8.1363 9.1984 9.1984 9.3134 9.3134 9.5462 9.5462 9.7521 9.7521 9.9502 9.9502 10.8088 10.8088 12.3843 12.3843 14.4715 14.4715 14.5663 14.5663 14.7779 14.7779 16.9189 16.9189 17.0509 17.0509 k = 0.0000 0.0000 0.1437 ( 2199 PWs) bands (ev): 5.0694 5.0694 7.7210 7.7210 7.9786 7.9786 8.0875 8.0875 8.1356 8.1356 9.1864 9.1864 9.2899 9.2899 9.5517 9.5517 9.7539 9.7539 9.9751 9.9751 10.7911 10.7911 12.4074 12.4074 14.4599 14.4599 14.5712 14.5712 14.7532 14.7532 16.9960 16.9960 17.0776 17.0776 k = 0.0000 0.0000 0.1596 ( 2207 PWs) bands (ev): 5.1056 5.1056 7.7255 7.7255 7.9792 7.9792 8.0811 8.0811 8.1350 8.1350 9.1749 9.1749 9.2664 9.2664 9.5557 9.5557 9.7559 9.7559 10.0006 10.0006 10.7737 10.7737 12.4323 12.4323 14.4482 14.4482 14.5762 14.5762 14.7289 14.7289 17.0011 17.0011 17.1814 17.1814 k = 0.0000 0.0000 0.1756 ( 2209 PWs) bands (ev): 5.1454 5.1454 7.7303 7.7303 7.9796 7.9796 8.0737 8.0737 8.1347 8.1347 9.1639 9.1639 9.2435 9.2435 9.5580 9.5580 9.7579 9.7579 10.0265 10.0265 10.7574 10.7574 12.4588 12.4588 14.4368 14.4368 14.5807 14.5807 14.7058 14.7058 16.9868 16.9868 17.3083 17.3083 k = 0.0000 0.0000 0.1916 ( 2205 PWs) bands (ev): 5.1885 5.1885 7.7352 7.7352 7.9800 7.9800 8.0653 8.0653 8.1344 8.1344 9.1534 9.1534 9.2217 9.2217 9.5588 9.5588 9.7598 9.7598 10.0526 10.0526 10.7427 10.7427 12.4867 12.4867 14.4260 14.4260 14.5831 14.5831 14.6854 14.6854 16.9668 16.9668 17.4436 17.4436 k = 0.0000 0.0000 0.2075 ( 2205 PWs) bands (ev): 5.2349 5.2349 7.7401 7.7401 7.9801 7.9801 8.0562 8.0562 8.1343 8.1343 9.1428 9.1428 9.2020 9.2020 9.5581 9.5581 9.7613 9.7613 10.0787 10.0787 10.7303 10.7303 12.5158 12.5158 14.4161 14.4161 14.5804 14.5804 14.6710 14.6710 16.9425 16.9425 17.5847 17.5847 k = 0.0000 0.0000 0.2235 ( 2205 PWs) bands (ev): 5.2843 5.2843 7.7449 7.7449 7.9798 7.9798 8.0466 8.0466 8.1343 8.1343 9.1314 9.1314 9.1855 9.1855 9.5558 9.5558 9.7625 9.7625 10.1044 10.1044 10.7207 10.7207 12.5457 12.5457 14.4071 14.4071 14.5690 14.5690 14.6658 14.6658 16.9140 16.9140 17.7304 17.7304 k = 0.0000 0.0000 0.2395 ( 2205 PWs) bands (ev): 5.3366 5.3366 7.7493 7.7493 7.9789 7.9789 8.0370 8.0370 8.1344 8.1344 9.1186 9.1186 9.1729 9.1729 9.5522 9.5522 9.7633 9.7633 10.1295 10.1295 10.7142 10.7142 12.5762 12.5762 14.3993 14.3993 14.5493 14.5493 14.6697 14.6697 16.8811 16.8811 17.8797 17.8797 k = 0.0000 0.0000 0.2554 ( 2205 PWs) bands (ev): 5.3917 5.3917 7.7531 7.7531 7.9771 7.9771 8.0280 8.0280 8.1345 8.1345 9.1044 9.1044 9.1648 9.1648 9.5475 9.5475 9.7637 9.7637 10.1538 10.1538 10.7113 10.7113 12.6072 12.6072 14.3928 14.3928 14.5239 14.5239 14.6799 14.6799 16.8440 16.8440 18.0317 18.0317 k = 0.0000 0.0000 0.2714 ( 2205 PWs) bands (ev): 5.4493 5.4493 7.7559 7.7559 7.9741 7.9741 8.0202 8.0202 8.1346 8.1346 9.0894 9.0894 9.1603 9.1603 9.5417 9.5417 9.7640 9.7640 10.1770 10.1770 10.7121 10.7121 12.6382 12.6382 14.3875 14.3875 14.4951 14.4951 14.6943 14.6943 16.8023 16.8023 18.1853 18.1853 k = 0.0000 0.0000 0.2874 ( 2205 PWs) bands (ev): 5.5093 5.5093 7.7574 7.7574 7.9697 7.9697 8.0142 8.0142 8.1350 8.1350 9.0746 9.0746 9.1589 9.1589 9.5353 9.5353 9.7640 9.7640 10.1991 10.1991 10.7166 10.7166 12.6691 12.6691 14.3835 14.3835 14.4641 14.4641 14.7118 14.7118 16.7562 16.7562 18.3392 18.3392 k = 0.0000 0.0000 0.3033 ( 2209 PWs) bands (ev): 5.5713 5.5713 7.7570 7.7570 7.9646 7.9646 8.0100 8.0100 8.1355 8.1355 9.0605 9.0605 9.1600 9.1600 9.5286 9.5286 9.7640 9.7640 10.2198 10.2198 10.7249 10.7249 12.6996 12.6996 14.3801 14.3801 14.4319 14.4319 14.7320 14.7320 16.7058 16.7058 18.4914 18.4914 k = 0.0000 0.0000 0.3193 ( 2209 PWs) bands (ev): 5.6351 5.6351 7.7543 7.7543 7.9596 7.9596 8.0072 8.0072 8.1363 8.1363 9.0476 9.0476 9.1632 9.1632 9.5219 9.5219 9.7640 9.7640 10.2391 10.2391 10.7365 10.7365 12.7293 12.7293 14.3738 14.3738 14.4022 14.4022 14.7547 14.7547 16.6512 16.6512 18.6392 18.6392 k = 0.0000 0.0000 0.3353 ( 2209 PWs) bands (ev): 5.7004 5.7004 7.7490 7.7490 7.9556 7.9556 8.0052 8.0052 8.1376 8.1376 9.0360 9.0360 9.1685 9.1685 9.5156 9.5156 9.7642 9.7642 10.2571 10.2571 10.7514 10.7514 12.7580 12.7580 14.3500 14.3500 14.3899 14.3899 14.7799 14.7799 16.5926 16.5926 18.7777 18.7777 k = 0.0000 0.0000 0.3512 ( 2209 PWs) bands (ev): 5.7669 5.7669 7.7410 7.7410 7.9531 7.9531 8.0037 8.0037 8.1396 8.1396 9.0259 9.0259 9.1757 9.1757 9.5102 9.5102 9.7645 9.7645 10.2737 10.2737 10.7689 10.7689 12.7853 12.7853 14.3138 14.3138 14.3898 14.3898 14.8076 14.8076 16.5306 16.5306 18.8979 18.8979 k = 0.0000 0.0000 0.3672 ( 2205 PWs) bands (ev): 5.8343 5.8343 7.7305 7.7305 7.9522 7.9522 8.0024 8.0024 8.1423 8.1423 9.0174 9.0174 9.1847 9.1847 9.5062 9.5062 9.7650 9.7650 10.2891 10.2891 10.7887 10.7887 12.8109 12.8109 14.2741 14.2741 14.3932 14.3932 14.8377 14.8377 16.4655 16.4655 18.9841 18.9841 k = 0.0000 0.0000 0.3831 ( 2191 PWs) bands (ev): 5.9022 5.9022 7.7178 7.7178 7.9527 7.9527 8.0014 8.0014 8.1461 8.1461 9.0105 9.0105 9.1956 9.1956 9.5037 9.5037 9.7658 9.7658 10.3035 10.3035 10.8103 10.8103 12.8343 12.8343 14.2323 14.2323 14.3986 14.3986 14.8704 14.8704 16.3980 16.3980 19.0146 19.0146 k = 0.0000 0.0000 0.3991 ( 2191 PWs) bands (ev): 5.9700 5.9700 7.7033 7.7033 7.9540 7.9540 8.0009 8.0009 8.1510 8.1510 9.0052 9.0052 9.2084 9.2084 9.5033 9.5033 9.7669 9.7669 10.3168 10.3168 10.8332 10.8332 12.8552 12.8552 14.1887 14.1887 14.4059 14.4059 14.9057 14.9057 16.3288 16.3288 18.9780 18.9780 k = 0.0000 0.0000 0.4151 ( 2191 PWs) bands (ev): 6.0376 6.0376 7.6877 7.6877 7.9553 7.9553 8.0013 8.0013 8.1572 8.1572 9.0017 9.0017 9.2229 9.2229 9.5051 9.5051 9.7683 9.7683 10.3292 10.3292 10.8568 10.8568 12.8732 12.8732 14.1433 14.1433 14.4149 14.4149 14.9435 14.9435 16.2585 16.2585 18.8872 18.8872 k = 0.0000 0.0000 0.4310 ( 2203 PWs) bands (ev): 6.1043 6.1043 7.6714 7.6714 7.9560 7.9560 8.0030 8.0030 8.1648 8.1648 8.9998 8.9998 9.2393 9.2393 9.5094 9.5094 9.7702 9.7702 10.3408 10.3408 10.8807 10.8807 12.8879 12.8879 14.0964 14.0964 14.4256 14.4256 14.9840 14.9840 16.1879 16.1879 18.7645 18.7645 k = 0.0000 0.0000 0.4470 ( 2209 PWs) bands (ev): 6.1697 6.1697 7.6550 7.6550 7.9555 7.9555 8.0061 8.0061 8.1738 8.1738 8.9998 8.9998 9.2574 9.2574 9.5166 9.5166 9.7724 9.7724 10.3518 10.3518 10.9046 10.9046 12.8988 12.8988 14.0478 14.0478 14.4380 14.4380 15.0272 15.0272 16.1180 16.1180 18.6256 18.6256 k = 0.0000 0.0000 0.4630 ( 2205 PWs) bands (ev): 6.2334 6.2334 7.6386 7.6386 7.9538 7.9538 8.0107 8.0107 8.1843 8.1843 9.0017 9.0017 9.2771 9.2771 9.5267 9.5267 9.7752 9.7752 10.3621 10.3621 10.9278 10.9278 12.9055 12.9055 13.9977 13.9977 14.4521 14.4521 15.0730 15.0730 16.0496 16.0496 18.4795 18.4795 k = 0.0000 0.0000 0.4789 ( 2201 PWs) bands (ev): 6.2949 6.2949 7.6228 7.6228 7.9513 7.9513 8.0164 8.0164 8.1964 8.1964 9.0056 9.0056 9.2982 9.2982 9.5401 9.5401 9.7785 9.7785 10.3720 10.3720 10.9502 10.9502 12.9078 12.9078 13.9460 13.9460 14.4680 14.4680 15.1214 15.1214 15.9835 15.9835 18.3307 18.3307 k = 0.0000 0.0000 0.4949 ( 2201 PWs) bands (ev): 6.3538 6.3538 7.6076 7.6076 7.9482 7.9482 8.0228 8.0228 8.2100 8.2100 9.0116 9.0116 9.3203 9.3203 9.5570 9.5570 9.7824 9.7824 10.3815 10.3815 10.9713 10.9713 12.9053 12.9053 13.8928 13.8928 14.4857 14.4857 15.1723 15.1723 15.9206 15.9206 18.1822 18.1822 k = 0.0000 0.0000 0.5109 ( 2201 PWs) bands (ev): 6.4096 6.4096 7.5935 7.5935 7.9449 7.9449 8.0295 8.0295 8.2250 8.2250 9.0196 9.0196 9.3430 9.3430 9.5776 9.5776 9.7872 9.7872 10.3907 10.3907 10.9908 10.9908 12.8978 12.8978 13.8380 13.8380 14.5052 14.5052 15.2254 15.2254 15.8618 15.8618 18.0354 18.0354 k = 0.0000 0.0000 0.5268 ( 2201 PWs) bands (ev): 6.4621 6.4621 7.5806 7.5806 7.9416 7.9416 8.0362 8.0362 8.2415 8.2415 9.0298 9.0298 9.3660 9.3660 9.6022 9.6022 9.7928 9.7928 10.3999 10.3999 11.0084 11.0084 12.8854 12.8854 13.7816 13.7816 14.5265 14.5265 15.2806 15.2806 15.8082 15.8082 17.8914 17.8914 k = 0.0000 0.0000 0.5428 ( 2209 PWs) bands (ev): 6.5109 6.5109 7.5690 7.5690 7.9385 7.9385 8.0429 8.0429 8.2594 8.2594 9.0420 9.0420 9.3886 9.3886 9.6307 9.6307 9.7998 9.7998 10.4092 10.4092 11.0239 11.0239 12.8679 12.8679 13.7235 13.7235 14.5497 14.5497 15.3369 15.3369 15.7608 15.7608 17.7510 17.7510 k = 0.0000 0.0000 0.5588 ( 2207 PWs) bands (ev): 6.5558 6.5558 7.5589 7.5589 7.9358 7.9358 8.0494 8.0494 8.2785 8.2785 9.0560 9.0560 9.4105 9.4105 9.6629 9.6629 9.8084 9.8084 10.4188 10.4188 11.0369 11.0369 12.8457 12.8457 13.6638 13.6638 14.5746 14.5746 15.3931 15.3931 15.7215 15.7215 17.6148 17.6148 k = 0.0000 0.0000 0.5747 ( 2213 PWs) bands (ev): 6.5966 6.5966 7.5504 7.5504 7.9335 7.9335 8.0556 8.0556 8.2988 8.2988 9.0718 9.0718 9.4314 9.4314 9.6978 9.6978 9.8195 9.8195 10.4291 10.4291 11.0474 11.0474 12.8191 12.8191 13.6024 13.6024 14.6014 14.6014 15.4458 15.4458 15.6937 15.6937 17.4831 17.4831 k = 0.0000 0.0000 0.5907 ( 2213 PWs) bands (ev): 6.6335 6.6335 7.5436 7.5436 7.9318 7.9318 8.0614 8.0614 8.3201 8.3201 9.0890 9.0890 9.4510 9.4510 9.7337 9.7337 9.8347 9.8347 10.4405 10.4405 11.0550 11.0550 12.7886 12.7886 13.5393 13.5393 14.6299 14.6299 15.4873 15.4873 15.6851 15.6851 17.3563 17.3563 k = 0.0000 0.0000 0.6066 ( 2209 PWs) bands (ev): 6.6663 6.6663 7.5386 7.5386 7.9305 7.9305 8.0669 8.0669 8.3424 8.3424 9.1072 9.1072 9.4693 9.4693 9.7674 9.7674 9.8566 9.8566 10.4535 10.4535 11.0598 11.0598 12.7549 12.7549 13.4745 13.4745 14.6601 14.6601 15.5078 15.5078 15.7056 15.7056 17.2345 17.2345 k = 0.0000 0.0000 0.6226 ( 2209 PWs) bands (ev): 6.6952 6.6952 7.5354 7.5354 7.9299 7.9299 8.0721 8.0721 8.3655 8.3655 9.1261 9.1261 9.4860 9.4860 9.7958 9.7958 9.8872 9.8872 10.4687 10.4687 11.0616 11.0616 12.7189 12.7189 13.4081 13.4081 14.6918 14.6918 15.5083 15.5083 15.7534 15.7534 17.1180 17.1180 k = 0.0000 0.0000 0.6386 ( 2210 PWs) bands (ev): 6.7205 6.7205 7.5341 7.5341 7.9299 7.9299 8.0768 8.0768 8.3893 8.3893 9.1451 9.1451 9.5012 9.5012 9.8191 9.8191 9.9257 9.9257 10.4867 10.4867 11.0605 11.0605 12.6815 12.6815 13.3403 13.3403 14.7251 14.7251 15.5000 15.5000 15.8173 15.8173 17.0069 17.0069 k = 0.0000 0.0000 0.6545 ( 2210 PWs) bands (ev): 6.7422 6.7422 7.5346 7.5346 7.9304 7.9304 8.0812 8.0812 8.4138 8.4138 9.1639 9.1639 9.5147 9.5147 9.8398 9.8398 9.9680 9.9680 10.5083 10.5083 11.0563 11.0563 12.6438 12.6438 13.2712 13.2712 14.7597 14.7597 15.4897 15.4897 15.8898 15.8898 16.9013 16.9013 k = 0.0000 0.0000 0.6705 ( 2210 PWs) bands (ev): 6.7608 6.7608 7.5371 7.5371 7.9316 7.9316 8.0853 8.0853 8.4387 8.4387 9.1819 9.1819 9.5263 9.5263 9.8604 9.8604 10.0107 10.0107 10.5342 10.5342 11.0492 11.0492 12.6068 12.6068 13.2010 13.2010 14.7955 14.7955 15.4801 15.4801 15.9674 15.9674 16.8013 16.8013 k = 0.0000 0.0000 0.6865 ( 2206 PWs) bands (ev): 6.7764 6.7764 7.5414 7.5414 7.9333 7.9333 8.0890 8.0890 8.4642 8.4642 9.1986 9.1986 9.5359 9.5359 9.8821 9.8821 10.0513 10.0513 10.5646 10.5646 11.0393 11.0393 12.5718 12.5718 13.1301 13.1301 14.8324 14.8324 15.4718 15.4718 16.0488 16.0488 16.7069 16.7069 k = 0.0000 0.0000 0.7024 ( 2198 PWs) bands (ev): 6.7894 6.7894 7.5474 7.5474 7.9356 7.9356 8.0923 8.0923 8.4902 8.4902 9.2137 9.2137 9.5434 9.5434 9.9055 9.9055 10.0884 10.0884 10.5993 10.5993 11.0268 11.0268 12.5401 12.5401 13.0589 13.0589 14.8703 14.8703 15.4650 15.4650 16.1327 16.1327 16.6185 16.6185 k = 0.0000 0.0000 0.7184 ( 2198 PWs) bands (ev): 6.8001 6.8001 7.5552 7.5552 7.9385 7.9385 8.0953 8.0953 8.5167 8.5167 9.2267 9.2267 9.5487 9.5487 9.9312 9.9312 10.1214 10.1214 10.6375 10.6375 11.0119 11.0119 12.5129 12.5129 12.9877 12.9877 14.9089 14.9089 15.4594 15.4594 16.2179 16.2179 16.5366 16.5366 k = 0.0000 0.0000 0.7344 ( 2198 PWs) bands (ev): 6.8087 6.8087 7.5647 7.5647 7.9418 7.9418 8.0980 8.0980 8.5435 8.5435 9.2375 9.2375 9.5516 9.5516 9.9591 9.9591 10.1503 10.1503 10.6776 10.6776 10.9949 10.9949 12.4913 12.4913 12.9173 12.9173 14.9480 14.9480 15.4546 15.4546 16.2996 16.2996 16.4659 16.4659 k = 0.0000 0.0000 0.7503 ( 2198 PWs) bands (ev): 6.8156 6.8156 7.5756 7.5756 7.9456 7.9456 8.1003 8.1003 8.5709 8.5709 9.2456 9.2456 9.5519 9.5519 9.9892 9.9892 10.1756 10.1756 10.7176 10.7176 10.9761 10.9761 12.4758 12.4758 12.8485 12.8485 14.9875 14.9875 15.4500 15.4500 16.3380 16.3380 16.4453 16.4453 k = 0.0000 0.0000 0.7663 ( 2194 PWs) bands (ev): 6.8209 6.8209 7.5880 7.5880 7.9499 7.9499 8.1023 8.1023 8.5987 8.5987 9.2512 9.2512 9.5498 9.5498 10.0214 10.0214 10.1983 10.1983 10.7552 10.7552 10.9559 10.9559 12.4665 12.4665 12.7833 12.7833 15.0272 15.0272 15.4453 15.4453 16.2914 16.2914 16.5164 16.5164 k = 0.0000 0.0000 0.7823 ( 2192 PWs) bands (ev): 6.8249 6.8249 7.6015 7.6015 7.9545 7.9545 8.1039 8.1039 8.6270 8.6270 9.2540 9.2540 9.5450 9.5450 10.0552 10.0552 10.2193 10.2193 10.7883 10.7883 10.9352 10.9352 12.4610 12.4610 12.7248 12.7248 15.0668 15.0668 15.4402 15.4402 16.2305 16.2305 16.6078 16.6078 k = 0.0000 0.0000 0.7982 ( 2188 PWs) bands (ev): 6.8279 6.8279 7.6162 7.6162 7.9594 7.9594 8.1051 8.1051 8.6558 8.6558 9.2543 9.2543 9.5377 9.5377 10.0903 10.0903 10.2394 10.2394 10.8143 10.8143 10.9152 10.9152 12.4534 12.4534 12.6798 12.6798 15.1059 15.1059 15.4342 15.4342 16.1706 16.1706 16.7039 16.7039 k = 0.0000 0.0000 0.8142 ( 2184 PWs) bands (ev): 6.8299 6.8299 7.6317 7.6317 7.9644 7.9644 8.1060 8.1060 8.6851 8.6851 9.2521 9.2521 9.5279 9.5279 10.1258 10.1258 10.2597 10.2597 10.8292 10.8292 10.8993 10.8993 12.4337 12.4337 12.6586 12.6586 15.1444 15.1444 15.4273 15.4273 16.1136 16.1136 16.8022 16.8022 k = 0.0000 0.0000 0.8302 ( 2188 PWs) bands (ev): 6.8312 6.8312 7.6477 7.6477 7.9696 7.9696 8.1065 8.1065 8.7148 8.7148 9.2476 9.2476 9.5157 9.5157 10.1611 10.1611 10.2808 10.2808 10.8277 10.8277 10.8930 10.8930 12.3966 12.3966 12.6660 12.6660 15.1816 15.1816 15.4196 15.4196 16.0596 16.0596 16.9019 16.9019 k = 0.0000 0.0000 0.8461 ( 2192 PWs) bands (ev): 6.8319 6.8319 7.6642 7.6642 7.9748 7.9748 8.1067 8.1067 8.7450 8.7450 9.2410 9.2410 9.5013 9.5013 10.1952 10.1952 10.3035 10.3035 10.8120 10.8120 10.8946 10.8946 12.3475 12.3475 12.6958 12.6958 15.2167 15.2167 15.4116 15.4116 16.0086 16.0086 17.0025 17.0025 k = 0.0000 0.0000 0.8621 ( 2192 PWs) bands (ev): 6.8322 6.8322 7.6807 7.6807 7.9798 7.9798 8.1065 8.1065 8.7755 8.7755 9.2326 9.2326 9.4851 9.4851 10.2272 10.2272 10.3283 10.3283 10.7904 10.7904 10.8970 10.8970 12.2935 12.2935 12.7394 12.7394 15.2482 15.2482 15.4048 15.4048 15.9605 15.9605 17.1034 17.1034 k = 0.0000 0.0000 0.8780 ( 2192 PWs) bands (ev): 6.8322 6.8322 7.6970 7.6970 7.9847 7.9847 8.1060 8.1060 8.8063 8.8063 9.2226 9.2226 9.4674 9.4674 10.2566 10.2566 10.3551 10.3551 10.7668 10.7668 10.8974 10.8974 12.2389 12.2389 12.7909 12.7909 15.2733 15.2733 15.4021 15.4021 15.9151 15.9151 17.2039 17.2039 k = 0.0000 0.0000 0.8940 ( 2196 PWs) bands (ev): 6.8319 6.8319 7.7126 7.7126 7.9893 7.9893 8.1052 8.1052 8.8371 8.8371 9.2113 9.2113 9.4488 9.4488 10.2834 10.2834 10.3829 10.3829 10.7431 10.7431 10.8956 10.8956 12.1862 12.1862 12.8461 12.8461 15.2876 15.2876 15.4081 15.4081 15.8720 15.8720 17.3033 17.3033 k = 0.0000 0.0000 0.9100 ( 2196 PWs) bands (ev): 6.8315 6.8315 7.7273 7.7273 7.9935 7.9935 8.1041 8.1041 8.8677 8.8677 9.1988 9.1988 9.4298 9.4298 10.3079 10.3079 10.4103 10.4103 10.7203 10.7203 10.8920 10.8920 12.1371 12.1371 12.9017 12.9017 15.2895 15.2895 15.4249 15.4249 15.8313 15.8313 17.4003 17.4003 k = 0.0000 0.0000 0.9259 ( 2196 PWs) bands (ev): 6.8310 6.8310 7.7407 7.7407 7.9972 7.9972 8.1030 8.1030 8.8976 8.8976 9.1854 9.1854 9.4114 9.4114 10.3307 10.3307 10.4353 10.4353 10.6994 10.6994 10.8874 10.8874 12.0928 12.0928 12.9547 12.9547 15.2828 15.2828 15.4496 15.4496 15.7927 15.7927 17.4932 17.4932 k = 0.0000 0.0000 0.9419 ( 2196 PWs) bands (ev): 6.8306 6.8306 7.7523 7.7523 8.0004 8.0004 8.1018 8.1018 8.9264 8.9264 9.1713 9.1713 9.3943 9.3943 10.3518 10.3518 10.4560 10.4560 10.6816 10.6816 10.8824 10.8824 12.0547 12.0547 13.0023 13.0023 15.2723 15.2723 15.4780 15.4780 15.7560 15.7560 17.5797 17.5797 k = 0.0000 0.0000 0.9579 ( 2194 PWs) bands (ev): 6.8302 6.8302 7.7618 7.7618 8.0029 8.0029 8.1007 8.1007 8.9530 8.9530 9.1569 9.1569 9.3795 9.3795 10.3709 10.3709 10.4706 10.4706 10.6678 10.6678 10.8776 10.8776 12.0237 12.0237 13.0422 13.0422 15.2614 15.2614 15.5076 15.5076 15.7214 15.7214 17.6562 17.6562 k = 0.0000 0.0000 0.9738 ( 2200 PWs) bands (ev): 6.8298 6.8298 7.7689 7.7689 8.0048 8.0048 8.0998 8.0998 8.9758 8.9758 9.1434 9.1434 9.3681 9.3681 10.3872 10.3872 10.4785 10.4785 10.6588 10.6588 10.8737 10.8737 12.0007 12.0007 13.0723 13.0723 15.2522 15.2522 15.5367 15.5367 15.6893 15.6893 17.7177 17.7177 k = 0.0000 0.0000 0.9898 ( 2188 PWs) bands (ev): 6.8296 6.8296 7.7732 7.7732 8.0059 8.0059 8.0992 8.0992 8.9922 8.9922 9.1329 9.1329 9.3609 9.3609 10.3987 10.3987 10.4812 10.4812 10.6541 10.6541 10.8711 10.8711 11.9866 11.9866 13.0911 13.0911 15.2462 15.2462 15.5624 15.5624 15.6620 15.6620 17.7584 17.7584 k = 0.0000 0.0000 1.0058 ( 2194 PWs) bands (ev): 6.8296 6.8296 7.7747 7.7747 8.0063 8.0063 8.0990 8.0990 8.9984 8.9984 9.1287 9.1287 9.3585 9.3585 10.4030 10.4030 10.4816 10.4816 10.6527 10.6527 10.8702 10.8702 11.9819 11.9819 13.0975 13.0975 15.2441 15.2441 15.5749 15.5749 15.6490 15.6490 17.7727 17.7727 k = 0.0000 0.0000 1.0058 ( 2194 PWs) bands (ev): 6.8296 6.8296 7.7747 7.7747 8.0063 8.0063 8.0990 8.0990 8.9984 8.9984 9.1287 9.1287 9.3585 9.3585 10.4030 10.4030 10.4816 10.4816 10.6527 10.6527 10.8702 10.8702 11.9819 11.9819 13.0975 13.0975 15.2441 15.2441 15.5749 15.5749 15.6490 15.6490 17.7727 17.7727 k =-0.0075 0.0130 1.0058 ( 2196 PWs) bands (ev): 6.8307 6.8307 7.7747 7.7747 8.0059 8.0059 8.0988 8.0988 8.9956 8.9956 9.1303 9.1303 9.3584 9.3584 10.4030 10.4030 10.4779 10.4779 10.6528 10.6528 10.8700 10.8700 11.9773 11.9773 13.1005 13.1005 15.2442 15.2442 15.5738 15.5738 15.6597 15.6597 17.7726 17.7726 k =-0.0149 0.0260 1.0058 ( 2192 PWs) bands (ev): 6.8340 6.8340 7.7749 7.7749 8.0049 8.0049 8.0980 8.0980 8.9878 8.9878 9.1345 9.1345 9.3584 9.3584 10.4032 10.4032 10.4670 10.4670 10.6529 10.6529 10.8694 10.8694 11.9640 11.9640 13.1096 13.1096 15.2448 15.2448 15.5724 15.5724 15.6901 15.6901 17.7723 17.7723 k =-0.0224 0.0391 1.0058 ( 2192 PWs) bands (ev): 6.8394 6.8394 7.7750 7.7750 8.0031 8.0031 8.0966 8.0966 8.9760 8.9760 9.1403 9.1403 9.3583 9.3583 10.4035 10.4035 10.4496 10.4496 10.6524 10.6524 10.8685 10.8685 11.9425 11.9425 13.1246 13.1246 15.2458 15.2458 15.5725 15.5725 15.7373 15.7373 17.7717 17.7717 k =-0.0298 0.0521 1.0058 ( 2196 PWs) bands (ev): 6.8470 6.8470 7.7752 7.7752 8.0006 8.0006 8.0947 8.0947 8.9613 8.9613 9.1466 9.1466 9.3582 9.3582 10.4039 10.4039 10.4264 10.4264 10.6510 10.6510 10.8673 10.8673 11.9137 11.9137 13.1452 13.1452 15.2475 15.2475 15.5744 15.5744 15.7999 15.7999 17.7709 17.7709 k =-0.0373 0.0651 1.0058 ( 2192 PWs) bands (ev): 6.8566 6.8566 7.7755 7.7755 7.9974 7.9974 8.0921 8.0921 8.9444 8.9444 9.1526 9.1526 9.3582 9.3582 10.3981 10.3981 10.4042 10.4042 10.6483 10.6483 10.8660 10.8660 11.8788 11.8788 13.1711 13.1711 15.2498 15.2498 15.5781 15.5781 15.8766 15.8766 17.7699 17.7699 k =-0.0448 0.0781 1.0058 ( 2188 PWs) bands (ev): 6.8682 6.8682 7.7759 7.7759 7.9935 7.9935 8.0888 8.0888 8.9261 8.9261 9.1574 9.1574 9.3582 9.3582 10.3654 10.3654 10.4044 10.4044 10.6440 10.6440 10.8646 10.8646 11.8392 11.8392 13.2020 13.2020 15.2529 15.2529 15.5833 15.5833 15.9659 15.9659 17.7684 17.7684 k =-0.0522 0.0912 1.0058 ( 2192 PWs) bands (ev): 6.8816 6.8816 7.7762 7.7762 7.9888 7.9888 8.0848 8.0848 8.9067 8.9067 9.1607 9.1607 9.3584 9.3584 10.3288 10.3288 10.4044 10.4044 10.6383 10.6383 10.8630 10.8630 11.7961 11.7961 13.2374 13.2374 15.2567 15.2567 15.5900 15.5900 16.0663 16.0663 17.7666 17.7666 k =-0.0597 0.1042 1.0058 ( 2192 PWs) bands (ev): 6.8969 6.8969 7.7767 7.7767 7.9834 7.9834 8.0799 8.0799 8.8865 8.8865 9.1622 9.1622 9.3585 9.3585 10.2890 10.2890 10.4041 10.4041 10.6313 10.6313 10.8614 10.8614 11.7510 11.7510 13.2769 13.2769 15.2612 15.2612 15.5979 15.5979 16.1761 16.1761 17.7640 17.7640 k =-0.0671 0.1172 1.0058 ( 2188 PWs) bands (ev): 6.9137 6.9137 7.7771 7.7771 7.9773 7.9773 8.0743 8.0743 8.8657 8.8657 9.1616 9.1616 9.3587 9.3587 10.2464 10.2464 10.4034 10.4034 10.6234 10.6234 10.8596 10.8596 11.7052 11.7052 13.3200 13.3200 15.2663 15.2663 15.6071 15.6071 16.2937 16.2937 17.7603 17.7603 k =-0.0746 0.1302 1.0058 ( 2184 PWs) bands (ev): 6.9321 6.9321 7.7776 7.7776 7.9703 7.9703 8.0678 8.0678 8.8443 8.8443 9.1589 9.1589 9.3588 9.3588 10.2016 10.2016 10.4022 10.4022 10.6148 10.6148 10.8577 10.8577 11.6596 11.6596 13.3663 13.3663 15.2719 15.2719 15.6174 15.6174 16.4171 16.4171 17.7542 17.7542 k =-0.0821 0.1432 1.0058 ( 2184 PWs) bands (ev): 6.9518 6.9518 7.7780 7.7780 7.9625 7.9625 8.0603 8.0603 8.8226 8.8226 9.1539 9.1539 9.3586 9.3586 10.1551 10.1551 10.4003 10.4003 10.6061 10.6061 10.8556 10.8556 11.6152 11.6152 13.4152 13.4152 15.2779 15.2779 15.6288 15.6288 16.5446 16.5446 17.7416 17.7416 k =-0.0821 0.1432 1.0058 ( 2184 PWs) bands (ev): 6.9518 6.9518 7.7780 7.7780 7.9625 7.9625 8.0603 8.0603 8.8226 8.8226 9.1539 9.1539 9.3586 9.3586 10.1551 10.1551 10.4003 10.4003 10.6061 10.6061 10.8556 10.8556 11.6152 11.6152 13.4152 13.4152 15.2779 15.2779 15.6288 15.6288 16.5446 16.5446 17.7416 17.7416 k =-0.0876 0.1528 0.9947 ( 2184 PWs) bands (ev): 6.9670 6.9670 7.7775 7.7775 7.9561 7.9561 8.0542 8.0542 8.8037 8.8037 9.1507 9.1507 9.3593 9.3593 10.1191 10.1191 10.3990 10.3990 10.5994 10.5994 10.8549 10.8549 11.5853 11.5853 13.4487 13.4487 15.2837 15.2837 15.6370 15.6370 16.6406 16.6406 17.7026 17.7026 k =-0.0931 0.1624 0.9836 ( 2183 PWs) bands (ev): 6.9829 6.9829 7.7754 7.7754 7.9488 7.9488 8.0475 8.0475 8.7796 8.7796 9.1502 9.1502 9.3619 9.3619 10.0813 10.0813 10.3980 10.3980 10.5921 10.5921 10.8566 10.8566 11.5596 11.5596 13.4745 13.4745 15.2918 15.2918 15.6443 15.6443 16.7381 16.7381 17.6219 17.6219 k =-0.0986 0.1720 0.9726 ( 2185 PWs) bands (ev): 6.9994 6.9994 7.7716 7.7716 7.9407 7.9407 8.0402 8.0402 8.7506 8.7506 9.1518 9.1518 9.3666 9.3666 10.0425 10.0425 10.3973 10.3973 10.5844 10.5844 10.8606 10.8606 11.5377 11.5377 13.4922 13.4922 15.3021 15.3021 15.6507 15.6507 16.8357 16.8357 17.5264 17.5264 k =-0.1041 0.1816 0.9615 ( 2186 PWs) bands (ev): 7.0164 7.0164 7.7661 7.7661 7.9317 7.9317 8.0321 8.0321 8.7172 8.7172 9.1552 9.1552 9.3735 9.3735 10.0035 10.0035 10.3967 10.3967 10.5769 10.5769 10.8670 10.8670 11.5190 11.5190 13.5014 13.5014 15.3141 15.3141 15.6563 15.6563 16.9321 16.9321 17.4291 17.4291 k =-0.1096 0.1912 0.9505 ( 2190 PWs) bands (ev): 7.0338 7.0338 7.7588 7.7588 7.9218 7.9218 8.0232 8.0232 8.6801 8.6801 9.1596 9.1596 9.3830 9.3830 9.9649 9.9649 10.3961 10.3961 10.5703 10.5703 10.8757 10.8757 11.5031 11.5031 13.5022 13.5022 15.3271 15.3271 15.6612 15.6612 17.0255 17.0255 17.3342 17.3342 k =-0.1151 0.2008 0.9394 ( 2190 PWs) bands (ev): 7.0514 7.0514 7.7497 7.7497 7.9108 7.9108 8.0136 8.0136 8.6400 8.6400 9.1644 9.1644 9.3951 9.3951 9.9274 9.9274 10.3952 10.3952 10.5650 10.5650 10.8867 10.8867 11.4896 11.4896 13.4947 13.4947 15.3405 15.3405 15.6654 15.6654 17.1127 17.1127 17.2449 17.2449 k =-0.1206 0.2104 0.9283 ( 2189 PWs) bands (ev): 7.0693 7.0693 7.7389 7.7389 7.8986 7.8986 8.0034 8.0034 8.5978 8.5978 9.1690 9.1690 9.4097 9.4097 9.8917 9.8917 10.3939 10.3939 10.5617 10.5617 10.8999 10.8999 11.4779 11.4779 13.4793 13.4793 15.3535 15.3535 15.6688 15.6688 17.1402 17.1402 17.2140 17.2140 k =-0.1261 0.2200 0.9173 ( 2187 PWs) bands (ev): 7.0873 7.0873 7.7263 7.7263 7.8851 7.8851 7.9927 7.9927 8.5541 8.5541 9.1731 9.1731 9.4266 9.4266 9.8583 9.8583 10.3922 10.3922 10.5607 10.5607 10.9153 10.9153 11.4677 11.4677 13.4564 13.4564 15.3652 15.3652 15.6715 15.6715 17.0632 17.0632 17.2846 17.2846 k =-0.1316 0.2296 0.9062 ( 2191 PWs) bands (ev): 7.1052 7.1052 7.7118 7.7118 7.8702 7.8702 7.9815 7.9815 8.5097 8.5097 9.1763 9.1763 9.4455 9.4455 9.8280 9.8280 10.3900 10.3900 10.5621 10.5621 10.9328 10.9328 11.4585 11.4585 13.4267 13.4267 15.3749 15.3749 15.6735 15.6735 16.9838 16.9838 17.3536 17.3536 k =-0.1371 0.2392 0.8951 ( 2187 PWs) bands (ev): 7.1229 7.1229 7.6957 7.6957 7.8536 7.8536 7.9702 7.9702 8.4652 8.4652 9.1783 9.1783 9.4656 9.4656 9.8019 9.8019 10.3874 10.3874 10.5660 10.5660 10.9523 10.9523 11.4503 11.4503 13.3908 13.3908 15.3820 15.3820 15.6747 15.6747 16.9072 16.9072 17.4139 17.4139 k =-0.1426 0.2488 0.8841 ( 2185 PWs) bands (ev): 7.1403 7.1403 7.6778 7.6778 7.8353 7.8353 7.9589 7.9589 8.4214 8.4214 9.1789 9.1789 9.4861 9.4861 9.7809 9.7809 10.3845 10.3845 10.5722 10.5722 10.9738 10.9738 11.4426 11.4426 13.3495 13.3495 15.3860 15.3860 15.6752 15.6752 16.8338 16.8338 17.4640 17.4640 k =-0.1481 0.2584 0.8730 ( 2179 PWs) bands (ev): 7.1572 7.1572 7.6584 7.6584 7.8149 7.8149 7.9476 7.9476 8.3790 8.3790 9.1776 9.1776 9.5060 9.5060 9.7664 9.7664 10.3815 10.3815 10.5805 10.5805 10.9973 10.9973 11.4353 11.4353 13.3033 13.3033 15.3867 15.3867 15.6750 15.6750 16.7634 16.7634 17.5034 17.5034 k =-0.1536 0.2680 0.8620 ( 2185 PWs) bands (ev): 7.1733 7.1733 7.6376 7.6376 7.7924 7.7924 7.9366 7.9366 8.3385 8.3385 9.1742 9.1742 9.5243 9.5243 9.7597 9.7597 10.3785 10.3785 10.5906 10.5906 11.0227 11.0227 11.4283 11.4283 13.2530 13.2530 15.3838 15.3838 15.6740 15.6740 16.6956 16.6956 17.5316 17.5316 k =-0.1591 0.2776 0.8509 ( 2183 PWs) bands (ev): 7.1885 7.1885 7.6157 7.6157 7.7679 7.7679 7.9260 7.9260 8.3005 8.3005 9.1682 9.1682 9.5401 9.5401 9.7618 9.7618 10.3755 10.3755 10.6022 10.6022 11.0499 11.0499 11.4214 11.4214 13.1993 13.1993 15.3774 15.3774 15.6724 15.6724 16.6301 16.6301 17.5492 17.5492 k =-0.1646 0.2872 0.8398 ( 2185 PWs) bands (ev): 7.2025 7.2025 7.5929 7.5929 7.7414 7.7414 7.9157 7.9157 8.2653 8.2653 9.1595 9.1595 9.5535 9.5535 9.7728 9.7728 10.3728 10.3728 10.6149 10.6149 11.0788 11.0788 11.4147 11.4147 13.1426 13.1426 15.3677 15.3677 15.6700 15.6700 16.5665 16.5665 17.5568 17.5568 k =-0.1701 0.2968 0.8288 ( 2179 PWs) bands (ev): 7.2148 7.2148 7.5697 7.5697 7.7131 7.7131 7.9058 7.9058 8.2333 8.2333 9.1481 9.1481 9.5655 9.5655 9.7916 9.7916 10.3702 10.3702 10.6286 10.6286 11.1093 11.1093 11.4082 11.4082 13.0836 13.0836 15.3549 15.3549 15.6670 15.6670 16.5045 16.5045 17.5554 17.5555 k =-0.1756 0.3064 0.8177 ( 2181 PWs) bands (ev): 7.2252 7.2252 7.5465 7.5465 7.6835 7.6835 7.8963 7.8963 8.2045 8.2045 9.1340 9.1340 9.5774 9.5774 9.8166 9.8166 10.3679 10.3679 10.6428 10.6428 11.1411 11.1411 11.4018 11.4018 13.0229 13.0229 15.3393 15.3393 15.6633 15.6633 16.4438 16.4438 17.5463 17.5463 k =-0.1811 0.3160 0.8067 ( 2175 PWs) bands (ev): 7.2331 7.2331 7.5236 7.5236 7.6531 7.6531 7.8872 7.8872 8.1789 8.1789 9.1176 9.1176 9.5903 9.5903 9.8461 9.8461 10.3659 10.3659 10.6572 10.6572 11.1740 11.1740 11.3958 11.3958 12.9609 12.9609 15.3215 15.3215 15.6591 15.6591 16.3842 16.3842 17.5305 17.5305 k =-0.1866 0.3256 0.7956 ( 2179 PWs) bands (ev): 7.2380 7.2380 7.5013 7.5013 7.6228 7.6228 7.8784 7.8784 8.1564 8.1564 9.0994 9.0994 9.6049 9.6049 9.8789 9.8789 10.3642 10.3642 10.6715 10.6715 11.2076 11.2076 11.3902 11.3902 12.8981 12.8981 15.3017 15.3017 15.6543 15.6543 16.3255 16.3255 17.5091 17.5091 k =-0.1921 0.3352 0.7845 ( 2175 PWs) bands (ev): 7.2393 7.2393 7.4798 7.4798 7.5938 7.5938 7.8700 7.8700 8.1368 8.1368 9.0799 9.0799 9.6215 9.6215 9.9139 9.9139 10.3629 10.3629 10.6854 10.6854 11.2413 11.2413 11.3857 11.3857 12.8349 12.8349 15.2805 15.2805 15.6490 15.6490 16.2676 16.2676 17.4831 17.4831 k =-0.1975 0.3448 0.7735 ( 2175 PWs) bands (ev): 7.2366 7.2366 7.4586 7.4586 7.5675 7.5675 7.8619 7.8619 8.1197 8.1197 9.0595 9.0595 9.6400 9.6400 9.9504 9.9504 10.3620 10.3620 10.6986 10.6986 11.2738 11.2738 11.3833 11.3833 12.7719 12.7719 15.2583 15.2583 15.6434 15.6434 16.2106 16.2106 17.4534 17.4534 k =-0.2030 0.3544 0.7624 ( 2177 PWs) bands (ev): 7.2299 7.2299 7.4369 7.4369 7.5455 7.5455 7.8541 7.8541 8.1050 8.1050 9.0387 9.0387 9.6604 9.6604 9.9878 9.9878 10.3614 10.3614 10.7108 10.7108 11.3025 11.3025 11.3854 11.3854 12.7094 12.7094 15.2354 15.2354 15.6373 15.6373 16.1546 16.1546 17.4209 17.4209 k =-0.2085 0.3640 0.7513 ( 2177 PWs) bands (ev): 7.2194 7.2194 7.4138 7.4138 7.5290 7.5290 7.8467 7.8467 8.0922 8.0922 9.0180 9.0180 9.6822 9.6822 10.0257 10.0257 10.3614 10.3614 10.7217 10.7217 11.3221 11.3221 11.3971 11.3971 12.6479 12.6479 15.2122 15.2122 15.6310 15.6310 16.0996 16.0996 17.3864 17.3864 k =-0.2140 0.3736 0.7403 ( 2181 PWs) bands (ev): 7.2058 7.2058 7.3891 7.3891 7.5183 7.5183 7.8395 7.8395 8.0813 8.0813 8.9976 8.9976 9.7053 9.7053 10.0636 10.0636 10.3619 10.3619 10.7310 10.7310 11.3304 11.3304 11.4204 11.4204 12.5877 12.5877 15.1891 15.1891 15.6244 15.6244 16.0458 16.0458 17.3508 17.3508 k =-0.2195 0.3832 0.7292 ( 2179 PWs) bands (ev): 7.1899 7.1899 7.3633 7.3633 7.5123 7.5123 7.8327 7.8327 8.0719 8.0719 8.9779 8.9779 9.7291 9.7291 10.1013 10.1013 10.3630 10.3630 10.7385 10.7385 11.3319 11.3319 11.4504 11.4504 12.5293 12.5293 15.1665 15.1665 15.6177 15.6177 15.9936 15.9936 17.3148 17.3148 k =-0.2250 0.3928 0.7182 ( 2179 PWs) bands (ev): 7.1726 7.1726 7.3373 7.3373 7.5098 7.5098 7.8262 7.8262 8.0638 8.0638 8.9590 8.9590 9.7535 9.7535 10.1384 10.1384 10.3648 10.3648 10.7439 10.7439 11.3309 11.3309 11.4828 11.4828 12.4732 12.4732 15.1444 15.1444 15.6109 15.6109 15.9433 15.9433 17.2790 17.2790 k =-0.2305 0.4024 0.7071 ( 2183 PWs) bands (ev): 7.1546 7.1546 7.3119 7.3119 7.5098 7.5098 7.8200 7.8200 8.0570 8.0570 8.9412 8.9412 9.7779 9.7779 10.1745 10.1745 10.3674 10.3674 10.7472 10.7472 11.3290 11.3290 11.5152 11.5152 12.4197 12.4197 15.1234 15.1234 15.6040 15.6040 15.8951 15.8951 17.2440 17.2440 k =-0.2360 0.4120 0.6960 ( 2184 PWs) bands (ev): 7.1366 7.1366 7.2877 7.2877 7.5112 7.5112 7.8142 7.8142 8.0511 8.0511 8.9246 8.9246 9.8021 9.8021 10.2092 10.2092 10.3710 10.3710 10.7483 10.7483 11.3271 11.3271 11.5465 11.5465 12.3693 12.3693 15.1035 15.1035 15.5972 15.5972 15.8496 15.8496 17.2104 17.2104 k =-0.2415 0.4216 0.6850 ( 2184 PWs) bands (ev): 7.1192 7.1192 7.2651 7.2651 7.5136 7.5136 7.8088 7.8088 8.0462 8.0462 8.9094 8.9094 9.8255 9.8255 10.2419 10.2419 10.3759 10.3759 10.7471 10.7471 11.3255 11.3255 11.5761 11.5761 12.3226 12.3226 15.0849 15.0849 15.5904 15.5904 15.8070 15.8070 17.1786 17.1786 k =-0.2470 0.4312 0.6739 ( 2186 PWs) bands (ev): 7.1027 7.1027 7.2444 7.2444 7.5163 7.5163 7.8038 7.8038 8.0420 8.0420 8.8956 8.8956 9.8478 9.8478 10.2720 10.2720 10.3823 10.3823 10.7437 10.7437 11.3243 11.3243 11.6033 11.6033 12.2798 12.2798 15.0678 15.0678 15.5838 15.5838 15.7680 15.7680 17.1491 17.1491 k =-0.2525 0.4408 0.6629 ( 2186 PWs) bands (ev): 7.0875 7.0875 7.2258 7.2258 7.5192 7.5192 7.7993 7.7993 8.0386 8.0386 8.8833 8.8833 9.8686 9.8686 10.2985 10.2985 10.3909 10.3909 10.7383 10.7383 11.3235 11.3235 11.6276 11.6276 12.2416 12.2416 15.0525 15.0525 15.5771 15.5771 15.7328 15.7328 17.1222 17.1222 k =-0.2580 0.4504 0.6518 ( 2180 PWs) bands (ev): 7.0738 7.0738 7.2095 7.2095 7.5220 7.5220 7.7952 7.7952 8.0357 8.0357 8.8726 8.8726 9.8875 9.8875 10.3204 10.3204 10.4022 10.4022 10.7313 10.7313 11.3231 11.3231 11.6487 11.6487 12.2083 12.2083 15.0389 15.0389 15.5706 15.5706 15.7021 15.7021 17.0983 17.0983 k =-0.2635 0.4600 0.6407 ( 2184 PWs) bands (ev): 7.0619 7.0619 7.1955 7.1955 7.5246 7.5246 7.7918 7.7918 8.0334 8.0334 8.8634 8.8634 9.9041 9.9041 10.3372 10.3372 10.4162 10.4162 10.7230 10.7230 11.3230 11.3230 11.6663 11.6663 12.1802 12.1802 15.0272 15.0272 15.5641 15.5641 15.6762 15.6762 17.0776 17.0776 k =-0.2690 0.4696 0.6297 ( 2181 PWs) bands (ev): 7.0520 7.0520 7.1840 7.1840 7.5268 7.5268 7.7889 7.7889 8.0315 8.0315 8.8559 8.8559 9.9181 9.9181 10.3493 10.3493 10.4317 10.4317 10.7141 10.7141 11.3230 11.3230 11.6804 11.6804 12.1573 12.1573 15.0176 15.0176 15.5578 15.5578 15.6554 15.6554 17.0604 17.0604 k =-0.2745 0.4792 0.6186 ( 2179 PWs) bands (ev): 7.0441 7.0441 7.1751 7.1751 7.5286 7.5286 7.7866 7.7866 8.0302 8.0302 8.8501 8.8501 9.9292 9.9292 10.3576 10.3576 10.4467 10.4467 10.7055 10.7055 11.3232 11.3232 11.6909 11.6909 12.1399 12.1399 15.0100 15.0100 15.5520 15.5520 15.6398 15.6398 17.0468 17.0468 k =-0.2800 0.4888 0.6075 ( 2180 PWs) bands (ev): 7.0384 7.0384 7.1686 7.1686 7.5299 7.5299 7.7849 7.7849 8.0292 8.0292 8.8459 8.8459 9.9373 9.9373 10.3631 10.3631 10.4593 10.4593 10.6981 10.6981 11.3233 11.3233 11.6981 11.6981 12.1276 12.1276 15.0045 15.0045 15.5471 15.5471 15.6292 15.6292 17.0369 17.0369 k =-0.2855 0.4984 0.5965 ( 2176 PWs) bands (ev): 7.0350 7.0350 7.1647 7.1647 7.5307 7.5307 7.7839 7.7839 8.0287 8.0287 8.8434 8.8434 9.9423 9.9423 10.3663 10.3663 10.4677 10.4677 10.6930 10.6930 11.3235 11.3235 11.7023 11.7023 12.1204 12.1204 15.0012 15.0012 15.5439 15.5439 15.6231 15.6231 17.0310 17.0310 k =-0.2910 0.5080 0.5854 ( 2174 PWs) bands (ev): 7.0338 7.0338 7.1634 7.1634 7.5310 7.5310 7.7836 7.7836 8.0285 8.0285 8.8425 8.8425 9.9439 9.9439 10.3673 10.3673 10.4706 10.4706 10.6912 10.6912 11.3235 11.3235 11.7037 11.7037 12.1180 12.1180 15.0001 15.0001 15.5427 15.5427 15.6211 15.6211 17.0290 17.0290 k =-0.2910 0.5080 0.5854 ( 2174 PWs) bands (ev): 7.0338 7.0338 7.1634 7.1634 7.5310 7.5310 7.7836 7.7836 8.0285 8.0285 8.8425 8.8425 9.9439 9.9439 10.3673 10.3673 10.4706 10.4706 10.6912 10.6912 11.3235 11.3235 11.7037 11.7037 12.1180 12.1180 15.0001 15.0001 15.5427 15.5427 15.6211 15.6211 17.0290 17.0290 k =-0.2854 0.4982 0.5742 ( 2178 PWs) bands (ev): 7.0402 7.0402 7.1658 7.1658 7.5381 7.5381 7.7909 7.7909 8.0329 8.0329 8.8732 8.8732 9.9072 9.9072 10.3644 10.3644 10.4358 10.4358 10.7025 10.7025 11.3539 11.3539 11.6602 11.6602 12.1670 12.1670 14.9606 14.9606 15.5617 15.5617 15.6434 15.6434 17.0487 17.0487 k =-0.2798 0.4884 0.5629 ( 2182 PWs) bands (ev): 7.0458 7.0458 7.1699 7.1699 7.5442 7.5442 7.7986 7.7986 8.0365 8.0365 8.9034 8.9034 9.8682 9.8682 10.3541 10.3541 10.3984 10.3984 10.7160 10.7160 11.3667 11.3667 11.6114 11.6114 12.2499 12.2499 14.9204 14.9204 15.5825 15.5825 15.6712 15.6712 17.0663 17.0663 k =-0.2742 0.4787 0.5516 ( 2178 PWs) bands (ev): 7.0508 7.0508 7.1755 7.1755 7.5493 7.5493 7.8066 7.8066 8.0390 8.0390 8.9328 8.9328 9.8272 9.8272 10.3374 10.3374 10.3597 10.3597 10.7298 10.7298 11.3402 11.3402 11.5988 11.5988 12.3466 12.3466 14.8798 14.8798 15.6067 15.6067 15.7034 15.7034 17.0817 17.0817 k =-0.2686 0.4689 0.5404 ( 2182 PWs) bands (ev): 7.0548 7.0548 7.1827 7.1827 7.5532 7.5532 7.8150 7.8150 8.0405 8.0405 8.9610 8.9610 9.7849 9.7849 10.3098 10.3098 10.3261 10.3261 10.7424 10.7424 11.2777 11.2777 11.6266 11.6266 12.4485 12.4485 14.8392 14.8392 15.6350 15.6350 15.7388 15.7388 17.0945 17.0945 k =-0.2631 0.4591 0.5291 ( 2172 PWs) bands (ev): 7.0577 7.0577 7.1913 7.1913 7.5560 7.5560 7.8238 7.8238 8.0410 8.0410 8.9879 8.9879 9.7419 9.7419 10.2691 10.2691 10.3010 10.3010 10.7529 10.7529 11.2016 11.2016 11.6753 11.6753 12.5518 12.5518 14.7989 14.7989 15.6684 15.6684 15.7768 15.7768 17.1044 17.1044 k =-0.2575 0.4493 0.5179 ( 2178 PWs) bands (ev): 7.0593 7.0593 7.2013 7.2013 7.5572 7.5572 7.8330 7.8330 8.0404 8.0404 9.0131 9.0131 9.6990 9.6990 10.2249 10.2249 10.2762 10.2762 10.7611 10.7611 11.1240 11.1240 11.7336 11.7336 12.6541 12.6541 14.7593 14.7593 15.7072 15.7072 15.8169 15.8169 17.1112 17.1112 k =-0.2519 0.4396 0.5066 ( 2178 PWs) bands (ev): 7.0592 7.0592 7.2125 7.2125 7.5569 7.5569 7.8426 7.8426 8.0389 8.0389 9.0363 9.0363 9.6572 9.6572 10.1790 10.1790 10.2504 10.2504 10.7665 10.7665 11.0494 11.0494 11.7970 11.7970 12.7540 12.7540 14.7209 14.7209 15.7519 15.7519 15.8587 15.8587 17.1144 17.1144 k =-0.2463 0.4298 0.4954 ( 2184 PWs) bands (ev): 7.0569 7.0569 7.2247 7.2247 7.5550 7.5550 7.8525 7.8525 8.0370 8.0370 9.0572 9.0572 9.6174 9.6174 10.1322 10.1322 10.2237 10.2237 10.7688 10.7688 10.9798 10.9798 11.8633 11.8633 12.8500 12.8500 14.6840 14.6840 15.8027 15.8027 15.9019 15.9019 17.1140 17.1140 k =-0.2407 0.4200 0.4841 ( 2187 PWs) bands (ev): 7.0517 7.0517 7.2380 7.2380 7.5514 7.5514 7.8629 7.8629 8.0349 8.0349 9.0754 9.0754 9.5809 9.5809 10.0846 10.0846 10.1965 10.1965 10.7673 10.7673 10.9168 10.9168 11.9311 11.9311 12.9410 12.9410 14.6495 14.6495 15.8596 15.8596 15.9466 15.9466 17.1096 17.1096 k =-0.2351 0.4103 0.4728 ( 2191 PWs) bands (ev): 7.0429 7.0429 7.2522 7.2522 7.5466 7.5466 7.8737 7.8737 8.0332 8.0332 9.0904 9.0904 9.5487 9.5487 10.0365 10.0365 10.1691 10.1691 10.7595 10.7595 10.8630 10.8630 11.9997 11.9997 13.0256 13.0256 14.6178 14.6178 15.9224 15.9224 15.9927 15.9927 17.1009 17.1009 k =-0.2295 0.4005 0.4616 ( 2187 PWs) bands (ev): 7.0293 7.0293 7.2671 7.2671 7.5409 7.5409 7.8847 7.8847 8.0323 8.0323 9.1019 9.1019 9.5218 9.5218 9.9880 9.9880 10.1417 10.1417 10.7395 10.7395 10.8241 10.8241 12.0684 12.0684 13.1027 13.1027 14.5899 14.5899 15.9895 15.9895 16.0417 16.0417 17.0879 17.0879 k =-0.2239 0.3907 0.4503 ( 2187 PWs) bands (ev): 7.0100 7.0100 7.2828 7.2828 7.5352 7.5352 7.8960 7.8960 8.0328 8.0328 9.1093 9.1093 9.5010 9.5010 9.9393 9.9393 10.1147 10.1147 10.7044 10.7044 10.8028 10.8028 12.1368 12.1368 13.1709 13.1709 14.5663 14.5663 16.0555 16.0555 16.0987 16.0987 17.0703 17.0703 k =-0.2183 0.3810 0.4391 ( 2197 PWs) bands (ev): 6.9838 6.9838 7.2992 7.2992 7.5305 7.5305 7.9075 7.9075 8.0348 8.0348 9.1128 9.1128 9.4868 9.4868 9.8906 9.8906 10.0881 10.0881 10.6619 10.6619 10.7912 10.7912 12.2046 12.2046 13.2292 13.2292 14.5479 14.5479 16.1119 16.1119 16.1720 16.1720 17.0481 17.0481 k =-0.2127 0.3712 0.4278 ( 2195 PWs) bands (ev): 6.9501 6.9501 7.3161 7.3161 7.5277 7.5277 7.9191 7.9191 8.0387 8.0387 9.1125 9.1125 9.4788 9.4788 9.8422 9.8422 10.0622 10.0622 10.6183 10.6183 10.7828 10.7828 12.2715 12.2715 13.2764 13.2764 14.5351 14.5351 16.1612 16.1612 16.2585 16.2585 17.0211 17.0211 k =-0.2071 0.3614 0.4166 ( 2195 PWs) bands (ev): 6.9085 6.9085 7.3335 7.3335 7.5275 7.5275 7.9307 7.9307 8.0444 8.0444 9.1090 9.1090 9.4765 9.4765 9.7942 9.7942 10.0371 10.0371 10.5756 10.5756 10.7751 10.7751 12.3374 12.3374 13.3121 13.3121 14.5283 14.5283 16.2079 16.2079 16.3533 16.3533 16.9894 16.9894 k =-0.2015 0.3517 0.4053 ( 2193 PWs) bands (ev): 6.8592 6.8592 7.3513 7.3513 7.5305 7.5305 7.9423 7.9423 8.0518 8.0518 9.1033 9.1033 9.4786 9.4786 9.7473 9.7473 10.0130 10.0130 10.5344 10.5344 10.7676 10.7676 12.4024 12.4024 13.3360 13.3360 14.5273 14.5273 16.2533 16.2533 16.4541 16.4541 16.9532 16.9532 k =-0.1959 0.3419 0.3940 ( 2193 PWs) bands (ev): 6.8026 6.8026 7.3695 7.3695 7.5368 7.5368 7.9536 7.9536 8.0608 8.0608 9.0961 9.0961 9.4835 9.4835 9.7021 9.7021 9.9900 9.9900 10.4948 10.4948 10.7597 10.7597 12.4663 12.4663 13.3485 13.3485 14.5316 14.5316 16.2978 16.2978 16.5598 16.5598 16.9130 16.9130 k =-0.1903 0.3321 0.3828 ( 2193 PWs) bands (ev): 6.7396 6.7396 7.3880 7.3880 7.5463 7.5463 7.9647 7.9647 8.0712 8.0712 9.0884 9.0884 9.4889 9.4889 9.6602 9.6602 9.9682 9.9682 10.4567 10.4567 10.7516 10.7516 12.5292 12.5292 13.3503 13.3503 14.5402 14.5402 16.3413 16.3413 16.6676 16.6676 16.8705 16.8705 k =-0.1847 0.3224 0.3715 ( 2193 PWs) bands (ev): 6.6713 6.6713 7.4068 7.4068 7.5587 7.5587 7.9754 7.9754 8.0825 8.0825 9.0806 9.0806 9.4913 9.4913 9.6245 9.6245 9.9476 9.9476 10.4200 10.4200 10.7433 10.7433 12.5913 12.5913 13.3426 13.3426 14.5520 14.5520 16.3837 16.3837 16.7593 16.7593 16.8436 16.8436 k =-0.1791 0.3126 0.3603 ( 2197 PWs) bands (ev): 6.5986 6.5986 7.4257 7.4257 7.5737 7.5737 7.9857 7.9857 8.0945 8.0945 9.0732 9.0732 9.4842 9.4842 9.6009 9.6009 9.9284 9.9284 10.3846 10.3846 10.7346 10.7346 12.6526 12.6526 13.3268 13.3268 14.5658 14.5658 16.4245 16.4245 16.7463 16.7463 16.9200 16.9200 k =-0.1735 0.3028 0.3490 ( 2201 PWs) bands (ev): 6.5226 6.5226 7.4448 7.4448 7.5909 7.5909 7.9956 7.9956 8.1069 8.1069 9.0665 9.0665 9.4634 9.4634 9.5934 9.5934 9.9108 9.9108 10.3503 10.3503 10.7259 10.7259 12.7132 12.7132 13.3044 13.3044 14.5803 14.5803 16.4631 16.4631 16.6940 16.6940 17.0342 17.0342 k =-0.1679 0.2931 0.3377 ( 2197 PWs) bands (ev): 6.4441 6.4441 7.4639 7.4639 7.6099 7.6099 8.0049 8.0049 8.1192 8.1192 9.0607 9.0607 9.4329 9.4329 9.5976 9.5976 9.8948 9.8948 10.3173 10.3173 10.7170 10.7170 12.7730 12.7730 13.2768 13.2768 14.5947 14.5947 16.4964 16.4964 16.6385 16.6385 17.1519 17.1519 k =-0.1623 0.2833 0.3265 ( 2195 PWs) bands (ev): 6.3640 6.3640 7.4830 7.4830 7.6305 7.6305 8.0137 8.0137 8.1313 8.1313 9.0559 9.0559 9.3988 9.3988 9.6071 9.6071 9.8808 9.8808 10.2854 10.2854 10.7082 10.7082 12.8319 12.8319 13.2455 13.2455 14.6079 14.6079 16.5083 16.5083 16.5986 16.5986 17.2687 17.2687 k =-0.1567 0.2735 0.3152 ( 2195 PWs) bands (ev): 6.2830 6.2830 7.5019 7.5019 7.6523 7.6523 8.0218 8.0218 8.1427 8.1427 9.0520 9.0520 9.3647 9.3647 9.6182 9.6182 9.8688 9.8688 10.2547 10.2547 10.6995 10.6995 12.8890 12.8890 13.2124 13.2124 14.6197 14.6197 16.4676 16.4676 16.6065 16.6065 17.3819 17.3819 k =-0.1511 0.2637 0.3040 ( 2195 PWs) bands (ev): 6.2016 6.2016 7.5207 7.5207 7.6750 7.6750 8.0293 8.0293 8.1531 8.1531 9.0490 9.0490 9.3323 9.3323 9.6291 9.6291 9.8592 9.8592 10.2253 10.2253 10.6911 10.6911 12.9422 12.9422 13.1808 13.1808 14.6295 14.6295 16.4010 16.4010 16.6356 16.6356 17.4888 17.4888 k =-0.1455 0.2540 0.2927 ( 2195 PWs) bands (ev): 6.1205 6.1205 7.5392 7.5392 7.6985 7.6985 8.0362 8.0362 8.1623 8.1623 9.0468 9.0468 9.3026 9.3026 9.6384 9.6384 9.8522 9.8522 10.1973 10.1973 10.6831 10.6831 12.9848 12.9848 13.1583 13.1583 14.6373 14.6373 16.3269 16.3269 16.6680 16.6680 17.5865 17.5865 k =-0.1399 0.2442 0.2815 ( 2195 PWs) bands (ev): 6.0400 6.0400 7.5573 7.5573 7.7224 7.7224 8.0423 8.0423 8.1700 8.1700 9.0452 9.0452 9.2765 9.2765 9.6453 9.6453 9.8478 9.8478 10.1710 10.1710 10.6757 10.6757 13.0007 13.0007 13.1617 13.1617 14.6429 14.6429 16.2490 16.2490 16.7005 16.7005 17.6719 17.6719 k =-0.1343 0.2344 0.2702 ( 2195 PWs) bands (ev): 5.9607 5.9607 7.5749 7.5749 7.7464 7.7464 8.0478 8.0478 8.1760 8.1760 9.0440 9.0440 9.2546 9.2546 9.6494 9.6494 9.8457 9.8457 10.1466 10.1466 10.6691 10.6691 12.9838 12.9838 13.1976 13.1976 14.6465 14.6465 16.1685 16.1685 16.7322 16.7322 17.7417 17.7417 k =-0.1287 0.2247 0.2589 ( 2203 PWs) bands (ev): 5.8828 5.8828 7.5919 7.5919 7.7704 7.7704 8.0527 8.0527 8.1803 8.1803 9.0430 9.0430 9.2374 9.2374 9.6507 9.6507 9.8454 9.8454 10.1244 10.1244 10.6635 10.6635 12.9499 12.9499 13.2509 13.2509 14.6482 14.6482 16.0862 16.0862 16.7626 16.7626 17.7933 17.7933 k =-0.1231 0.2149 0.2477 ( 2199 PWs) bands (ev): 5.8067 5.8067 7.6082 7.6082 7.7941 7.7941 8.0569 8.0569 8.1828 8.1828 9.0422 9.0422 9.2252 9.2252 9.6493 9.6493 9.8459 9.8459 10.1046 10.1046 10.6592 10.6592 12.9096 12.9096 13.3115 13.3115 14.6482 14.6482 16.0025 16.0025 16.7917 16.7917 17.8246 17.8246 k =-0.1175 0.2051 0.2364 ( 2199 PWs) bands (ev): 5.7327 5.7327 7.6236 7.6236 7.8171 7.8171 8.0606 8.0606 8.1834 8.1834 9.0416 9.0416 9.2181 9.2181 9.6458 9.6458 9.8460 9.8460 10.0877 10.0877 10.6563 10.6563 12.8669 12.8669 13.3759 13.3759 14.6467 14.6467 15.9179 15.9179 16.8194 16.8194 17.8348 17.8348 k =-0.1119 0.1954 0.2252 ( 2209 PWs) bands (ev): 5.6610 5.6610 7.6381 7.6381 7.8394 7.8394 8.0638 8.0638 8.1823 8.1823 9.0415 9.0415 9.2157 9.2157 9.6406 9.6406 9.8448 9.8448 10.0736 10.0736 10.6552 10.6552 12.8232 12.8232 13.4427 13.4427 14.6439 14.6439 15.8330 15.8330 16.8455 16.8455 17.8246 17.8246 k =-0.1063 0.1856 0.2139 ( 2213 PWs) bands (ev): 5.5918 5.5918 7.6515 7.6515 7.8605 7.8605 8.0666 8.0666 8.1797 8.1797 9.0423 9.0423 9.2174 9.2174 9.6342 9.6342 9.8417 9.8417 10.0623 10.0623 10.6562 10.6562 12.7794 12.7794 13.5114 13.5114 14.6401 14.6401 15.7482 15.7482 16.8701 16.8701 17.7954 17.7954 k =-0.1007 0.1758 0.2026 ( 2211 PWs) bands (ev): 5.5252 5.5252 7.6638 7.6638 7.8803 7.8803 8.0692 8.0692 8.1759 8.1759 9.0447 9.0447 9.2227 9.2227 9.6268 9.6268 9.8365 9.8365 10.0531 10.0531 10.6594 10.6594 12.7361 12.7361 13.5818 13.5818 14.6353 14.6353 15.6640 15.6640 16.8931 16.8931 17.7496 17.7496 k =-0.0951 0.1661 0.1914 ( 2205 PWs) bands (ev): 5.4615 5.4615 7.6748 7.6748 7.8985 7.8985 8.0716 8.0716 8.1712 8.1712 9.0489 9.0489 9.2308 9.2308 9.6189 9.6189 9.8293 9.8293 10.0454 10.0454 10.6651 10.6651 12.6937 12.6937 13.6536 13.6536 14.6300 14.6300 15.5808 15.5808 16.9145 16.9145 17.6900 17.6900 k =-0.0895 0.1563 0.1801 ( 2205 PWs) bands (ev): 5.4009 5.4009 7.6843 7.6843 7.9149 7.9149 8.0740 8.0740 8.1658 8.1658 9.0552 9.0552 9.2410 9.2410 9.6105 9.6105 9.8207 9.8207 10.0382 10.0382 10.6733 10.6733 12.6524 12.6524 13.7267 13.7267 14.6241 14.6241 15.4992 15.4992 16.9343 16.9343 17.6190 17.6190 k =-0.0840 0.1465 0.1689 ( 2197 PWs) bands (ev): 5.3433 5.3433 7.6925 7.6925 7.9292 7.9292 8.0766 8.0766 8.1603 8.1603 9.0639 9.0639 9.2529 9.2529 9.6018 9.6018 9.8113 9.8113 10.0307 10.0307 10.6841 10.6841 12.6125 12.6125 13.8007 13.8007 14.6179 14.6179 15.4196 15.4196 16.9525 16.9525 17.5393 17.5393 k =-0.0784 0.1368 0.1576 ( 2189 PWs) bands (ev): 5.2890 5.2890 7.6991 7.6991 7.9414 7.9414 8.0794 8.0794 8.1550 8.1550 9.0748 9.0748 9.2660 9.2660 9.5930 9.5930 9.8016 9.8016 10.0222 10.0222 10.6972 10.6972 12.5741 12.5741 13.8754 13.8754 14.6115 14.6115 15.3426 15.3426 16.9690 16.9690 17.4530 17.4530 k =-0.0728 0.1270 0.1464 ( 2193 PWs) bands (ev): 5.2381 5.2381 7.7043 7.7043 7.9514 7.9514 8.0824 8.0824 8.1500 8.1500 9.0879 9.0879 9.2799 9.2799 9.5841 9.5841 9.7922 9.7922 10.0121 10.0121 10.7125 10.7125 12.5376 12.5376 13.9505 13.9505 14.6051 14.6051 15.2689 15.2689 16.9837 16.9837 17.3621 17.3621 k =-0.0672 0.1172 0.1351 ( 2197 PWs) bands (ev): 5.1906 5.1906 7.7080 7.7080 7.9593 7.9593 8.0856 8.0856 8.1458 8.1458 9.1030 9.1030 9.2942 9.2942 9.5752 9.5752 9.7832 9.7832 10.0003 10.0003 10.7296 10.7296 12.5031 12.5031 14.0255 14.0255 14.5988 14.5988 15.1989 15.1989 16.9963 16.9963 17.2687 17.2687 k =-0.0616 0.1075 0.1238 ( 2193 PWs) bands (ev): 5.1467 5.1467 7.7103 7.7103 7.9653 7.9653 8.0889 8.0889 8.1425 8.1425 9.1197 9.1197 9.3086 9.3086 9.5664 9.5664 9.7751 9.7751 9.9867 9.9867 10.7480 10.7480 12.4706 12.4706 14.0997 14.0997 14.5925 14.5925 15.1335 15.1335 17.0055 17.0055 17.1756 17.1756 k =-0.0560 0.0977 0.1126 ( 2187 PWs) bands (ev): 5.1063 5.1063 7.7114 7.7114 7.9695 7.9695 8.0922 8.0922 8.1401 8.1401 9.1378 9.1378 9.3231 9.3231 9.5577 9.5577 9.7680 9.7680 9.9714 9.9714 10.7673 10.7673 12.4405 12.4405 14.1724 14.1724 14.5865 14.5865 15.0735 15.0735 17.0039 17.0039 17.0915 17.0915 k =-0.0504 0.0879 0.1013 ( 2187 PWs) bands (ev): 5.0696 5.0696 7.7115 7.7115 7.9724 7.9724 8.0952 8.0952 8.1386 8.1386 9.1567 9.1567 9.3374 9.3374 9.5493 9.5493 9.7620 9.7620 9.9545 9.9545 10.7869 10.7869 12.4128 12.4128 14.2425 14.2425 14.5807 14.5807 15.0198 15.0198 16.9557 16.9557 17.0539 17.0539 k =-0.0448 0.0781 0.0901 ( 2191 PWs) bands (ev): 5.0366 5.0366 7.7107 7.7107 7.9743 7.9743 8.0980 8.0980 8.1379 8.1379 9.1759 9.1759 9.3514 9.3514 9.5411 9.5411 9.7573 9.7573 9.9364 9.9364 10.8063 10.8063 12.3877 12.3877 14.3084 14.3084 14.5752 14.5752 14.9736 14.9736 16.8716 16.8716 17.0532 17.0532 k =-0.0392 0.0684 0.0788 ( 2187 PWs) bands (ev): 5.0074 5.0074 7.7094 7.7094 7.9753 7.9753 8.1004 8.1004 8.1379 8.1379 9.1948 9.1948 9.3652 9.3652 9.5331 9.5331 9.7540 9.7540 9.9174 9.9174 10.8250 10.8250 12.3652 12.3652 14.3684 14.3684 14.5699 14.5699 14.9363 14.9363 16.7848 16.7848 17.0580 17.0580 k =-0.0336 0.0586 0.0675 ( 2187 PWs) bands (ev): 4.9821 4.9821 7.7076 7.7076 7.9758 7.9758 8.1025 8.1025 8.1384 8.1384 9.2129 9.2129 9.3785 9.3785 9.5253 9.5253 9.7521 9.7521 9.8979 9.8979 10.8423 10.8423 12.3455 12.3455 14.4202 14.4202 14.5648 14.5648 14.9094 14.9094 16.7017 16.7017 17.0632 17.0632 k =-0.0280 0.0488 0.0563 ( 2187 PWs) bands (ev): 4.9605 4.9605 7.7057 7.7057 7.9759 7.9759 8.1042 8.1042 8.1390 8.1390 9.2294 9.2294 9.3916 9.3916 9.5177 9.5177 9.7519 9.7519 9.8785 9.8785 10.8580 10.8580 12.3287 12.3287 14.4617 14.4617 14.5600 14.5600 14.8939 14.8939 16.6254 16.6254 17.0680 17.0680 k =-0.0224 0.0391 0.0450 ( 2187 PWs) bands (ev): 4.9428 4.9428 7.7039 7.7039 7.9758 7.9758 8.1057 8.1057 8.1397 8.1397 9.2438 9.2438 9.4042 9.4042 9.5102 9.5102 9.7532 9.7532 9.8598 9.8598 10.8714 10.8714 12.3148 12.3148 14.4917 14.4917 14.5555 14.5555 14.8896 14.8896 16.5581 16.5581 17.0719 17.0719 k =-0.0168 0.0293 0.0338 ( 2185 PWs) bands (ev): 4.9291 4.9291 7.7023 7.7023 7.9756 7.9756 8.1069 8.1069 8.1403 8.1403 9.2555 9.2555 9.4161 9.4161 9.5029 9.5029 9.7562 9.7562 9.8423 9.8423 10.8822 10.8822 12.3039 12.3039 14.5107 14.5107 14.5517 14.5517 14.8937 14.8937 16.5022 16.5022 17.0751 17.0751 k =-0.0112 0.0195 0.0225 ( 2181 PWs) bands (ev): 4.9192 4.9192 7.7011 7.7011 7.9754 7.9754 8.1077 8.1077 8.1408 8.1408 9.2641 9.2641 9.4265 9.4265 9.4961 9.4961 9.7604 9.7604 9.8272 9.8272 10.8902 10.8902 12.2961 12.2961 14.5210 14.5210 14.5491 14.5491 14.9017 14.9017 16.4600 16.4600 17.0773 17.0773 k =-0.0056 0.0098 0.0113 ( 2181 PWs) bands (ev): 4.9133 4.9133 7.7003 7.7003 7.9753 7.9753 8.1082 8.1082 8.1411 8.1411 9.2693 9.2693 9.4343 9.4343 9.4907 9.4907 9.7648 9.7648 9.8160 9.8160 10.8951 10.8951 12.2914 12.2914 14.5254 14.5254 14.5479 14.5479 14.9089 14.9089 16.4337 16.4337 17.0786 17.0786 k = 0.0000 0.0000 0.0000 ( 2187 PWs) bands (ev): 4.9113 4.9113 7.7000 7.7000 7.9752 7.9752 8.1084 8.1084 8.1412 8.1412 9.2710 9.2710 9.4373 9.4373 9.4885 9.4885 9.7668 9.7668 9.8116 9.8116 10.8967 10.8967 12.2898 12.2898 14.5265 14.5265 14.5476 14.5476 14.9117 14.9117 16.4248 16.4248 17.0791 17.0791 k = 0.0000 0.0000 0.0000 ( 2187 PWs) bands (ev): 4.9113 4.9113 7.7000 7.7000 7.9752 7.9752 8.1084 8.1084 8.1412 8.1412 9.2710 9.2710 9.4373 9.4373 9.4885 9.4885 9.7668 9.7668 9.8116 9.8116 10.8967 10.8967 12.2898 12.2898 14.5265 14.5265 14.5476 14.5476 14.9117 14.9117 16.4248 16.4248 17.0791 17.0791 k = 0.0135 0.0077-0.0000 ( 2183 PWs) bands (ev): 4.9133 4.9133 7.6981 7.6981 7.9763 7.9763 8.1002 8.1002 8.1468 8.1468 9.2719 9.2719 9.4349 9.4349 9.4915 9.4915 9.7582 9.7582 9.8207 9.8207 10.8962 10.8962 12.2854 12.2854 14.5277 14.5277 14.5474 14.5474 14.9133 14.9133 16.4309 16.4309 17.0794 17.0794 k = 0.0270 0.0155-0.0000 ( 2183 PWs) bands (ev): 4.9193 4.9193 7.6926 7.6926 7.9795 7.9795 8.0827 8.0827 8.1567 8.1567 9.2746 9.2746 9.4288 9.4288 9.4991 9.4991 9.7415 9.7415 9.8389 9.8389 10.8947 10.8947 12.2722 12.2722 14.5315 14.5315 14.5467 14.5467 14.9178 14.9178 16.4489 16.4489 17.0803 17.0803 k = 0.0405 0.0232-0.0000 ( 2191 PWs) bands (ev): 4.9291 4.9291 7.6837 7.6837 7.9845 7.9845 8.0608 8.0608 8.1658 8.1658 9.2788 9.2788 9.4207 9.4207 9.5096 9.5096 9.7235 9.7235 9.8594 9.8594 10.8921 10.8921 12.2507 12.2507 14.5378 14.5378 14.5456 14.5456 14.9255 14.9255 16.4782 16.4782 17.0818 17.0818 k = 0.0541 0.0310-0.0000 ( 2191 PWs) bands (ev): 4.9429 4.9429 7.6718 7.6718 7.9910 7.9910 8.0359 8.0359 8.1732 8.1732 9.2843 9.2843 9.4119 9.4119 9.5216 9.5216 9.7061 9.7061 9.8805 9.8805 10.8885 10.8885 12.2213 12.2213 14.5440 14.5440 14.5468 14.5468 14.9363 14.9363 16.5178 16.5178 17.0838 17.0838 k = 0.0676 0.0387-0.0000 ( 2203 PWs) bands (ev): 4.9606 4.9606 7.6574 7.6574 7.9985 7.9985 8.0082 8.0082 8.1786 8.1786 9.2909 9.2909 9.4025 9.4025 9.5346 9.5346 9.6903 9.6903 9.9014 9.9014 10.8840 10.8840 12.1848 12.1848 14.5419 14.5419 14.5586 14.5586 14.9503 14.9503 16.5666 16.5666 17.0865 17.0865 k = 0.0811 0.0465-0.0000 ( 2203 PWs) bands (ev): 4.9822 4.9822 7.6410 7.6410 7.9781 7.9781 8.0069 8.0069 8.1822 8.1822 9.2981 9.2981 9.3927 9.3927 9.5483 9.5483 9.6767 9.6767 9.9218 9.9218 10.8786 10.8786 12.1422 12.1422 14.5392 14.5392 14.5734 14.5734 14.9676 14.9676 16.6228 16.6228 17.0896 17.0896 k = 0.0946 0.0542-0.0000 ( 2203 PWs) bands (ev): 5.0076 5.0076 7.6229 7.6229 7.9457 7.9457 8.0158 8.0158 8.1840 8.1840 9.3053 9.3053 9.3823 9.3823 9.5623 9.5623 9.6658 9.6658 9.9415 9.9415 10.8723 10.8723 12.0943 12.0943 14.5361 14.5361 14.5914 14.5914 14.9881 14.9881 16.6848 16.6848 17.0933 17.0933 k = 0.1081 0.0619-0.0000 ( 2195 PWs) bands (ev): 5.0368 5.0368 7.6036 7.6036 7.9112 7.9112 8.0250 8.0250 8.1841 8.1841 9.3120 9.3120 9.3712 9.3712 9.5766 9.5766 9.6582 9.6582 9.9602 9.9602 10.8652 10.8652 12.0423 12.0423 14.5324 14.5324 14.6126 14.6126 15.0121 15.0121 16.7505 16.7505 17.0975 17.0975 k = 0.1216 0.0697-0.0000 ( 2195 PWs) bands (ev): 5.0697 5.0697 7.5832 7.5832 7.8749 7.8749 8.0342 8.0342 8.1827 8.1827 9.3177 9.3177 9.3591 9.3591 9.5908 9.5908 9.6543 9.6543 9.9777 9.9777 10.8574 10.8574 11.9870 11.9870 14.5281 14.5281 14.6373 14.6373 15.0396 15.0396 16.8180 16.8180 17.1021 17.1021 k = 0.1351 0.0774-0.0000 ( 2183 PWs) bands (ev): 5.1062 5.1062 7.5620 7.5620 7.8369 7.8369 8.0435 8.0435 8.1800 8.1800 9.3219 9.3219 9.3456 9.3456 9.6049 9.6049 9.6546 9.6546 9.9940 9.9940 10.8490 10.8490 11.9296 11.9296 14.5234 14.5234 14.6654 14.6654 15.0705 15.0705 16.8849 16.8849 17.1072 17.1072 k = 0.1486 0.0852-0.0000 ( 2187 PWs) bands (ev): 5.1464 5.1464 7.5403 7.5403 7.7974 7.7974 8.0526 8.0526 8.1762 8.1762 9.3244 9.3244 9.3304 9.3304 9.6187 9.6187 9.6591 9.6591 10.0088 10.0088 10.8400 10.8400 11.8710 11.8710 14.5181 14.5181 14.6971 14.6971 15.1049 15.1049 16.9492 16.9492 17.1126 17.1126 k = 0.1622 0.0929-0.0000 ( 2199 PWs) bands (ev): 5.1900 5.1900 7.5183 7.5183 7.7568 7.7568 8.0616 8.0616 8.1713 8.1713 9.3131 9.3131 9.3251 9.3251 9.6321 9.6321 9.6678 9.6678 10.0221 10.0221 10.8305 10.8305 11.8122 11.8122 14.5123 14.5123 14.7325 14.7325 15.1430 15.1430 17.0087 17.0087 17.1184 17.1184 k = 0.1757 0.1007-0.0000 ( 2199 PWs) bands (ev): 5.2370 5.2370 7.4962 7.4962 7.7153 7.7153 8.0703 8.0703 8.1656 8.1656 9.2933 9.2933 9.3241 9.3241 9.6450 9.6450 9.6802 9.6802 10.0338 10.0338 10.8206 10.8206 11.7540 11.7540 14.5061 14.5061 14.7717 14.7717 15.1845 15.1845 17.0613 17.0613 17.1246 17.1246 k = 0.1892 0.1084-0.0000 ( 2199 PWs) bands (ev): 5.2874 5.2874 7.4741 7.4741 7.6731 7.6731 8.0787 8.0787 8.1591 8.1591 9.2705 9.2705 9.3220 9.3220 9.6574 9.6574 9.6959 9.6959 10.0439 10.0439 10.8105 10.8105 11.6974 11.6974 14.4994 14.4994 14.8146 14.8146 15.2296 15.2296 17.1055 17.1055 17.1309 17.1309 k = 0.2027 0.1161-0.0000 ( 2207 PWs) bands (ev): 5.3409 5.3409 7.4521 7.4521 7.6305 7.6305 8.0869 8.0869 8.1521 8.1521 9.2444 9.2444 9.3189 9.3189 9.6692 9.6692 9.7143 9.7143 10.0524 10.0524 10.8001 10.8001 11.6430 11.6430 14.4924 14.4924 14.8614 14.8614 15.2782 15.2782 17.1375 17.1375 17.1397 17.1397 k = 0.2162 0.1239-0.0000 ( 2207 PWs) bands (ev): 5.3975 5.3975 7.4304 7.4304 7.5878 7.5878 8.0947 8.0947 8.1447 8.1447 9.2147 9.2147 9.3155 9.3155 9.6803 9.6803 9.7347 9.7347 10.0594 10.0594 10.7895 10.7895 11.5915 11.5915 14.4851 14.4851 14.9119 14.9119 15.3303 15.3303 17.1444 17.1444 17.1631 17.1631 k = 0.2297 0.1316-0.0000 ( 2215 PWs) bands (ev): 5.4570 5.4570 7.4091 7.4091 7.5451 7.5451 8.1022 8.1022 8.1370 8.1370 9.1808 9.1808 9.3120 9.3120 9.6908 9.6908 9.7563 9.7563 10.0649 10.0649 10.7790 10.7790 11.5435 11.5435 14.4774 14.4774 14.9662 14.9662 15.3856 15.3856 17.1513 17.1513 17.1752 17.1752 k = 0.2432 0.1394-0.0000 ( 2215 PWs) bands (ev): 5.5193 5.5193 7.3883 7.3883 7.5028 7.5028 8.1093 8.1093 8.1290 8.1290 9.1428 9.1428 9.3087 9.3087 9.7006 9.7006 9.7787 9.7787 10.0691 10.0691 10.7684 10.7684 11.4993 11.4993 14.4696 14.4696 15.0243 15.0243 15.4441 15.4441 17.1583 17.1583 17.1764 17.1764 k = 0.2568 0.1471-0.0000 ( 2207 PWs) bands (ev): 5.5842 5.5842 7.3681 7.3681 7.4611 7.4611 8.1161 8.1161 8.1209 8.1209 9.1003 9.1003 9.3059 9.3059 9.7098 9.7098 9.8012 9.8012 10.0724 10.0724 10.7579 10.7579 11.4593 11.4593 14.4616 14.4616 15.0861 15.0861 15.5056 15.5056 17.1654 17.1654 17.1671 17.1671 k = 0.2703 0.1549-0.0000 ( 2206 PWs) bands (ev): 5.6515 5.6515 7.3486 7.3486 7.4203 7.4203 8.1127 8.1127 8.1224 8.1224 9.0534 9.0534 9.3037 9.3037 9.7183 9.7183 9.8231 9.8231 10.0749 10.0749 10.7476 10.7476 11.4238 11.4238 14.4535 14.4535 15.1514 15.1514 15.5699 15.5699 17.1483 17.1483 17.1725 17.1725 k = 0.2838 0.1626-0.0000 ( 2206 PWs) bands (ev): 5.7210 5.7210 7.3298 7.3298 7.3804 7.3804 8.1046 8.1046 8.1284 8.1284 9.0021 9.0021 9.3023 9.3023 9.7262 9.7262 9.8437 9.8437 10.0773 10.0773 10.7374 10.7374 11.3927 11.3927 14.4454 14.4454 15.2202 15.2202 15.6367 15.6367 17.1214 17.1214 17.1796 17.1796 k = 0.2973 0.1703-0.0000 ( 2206 PWs) bands (ev): 5.7924 5.7924 7.3119 7.3119 7.3419 7.3419 8.0965 8.0965 8.1340 8.1340 8.9468 8.9468 9.3017 9.3017 9.7335 9.7335 9.8624 9.8624 10.0801 10.0801 10.7274 10.7274 11.3659 11.3659 14.4374 14.4374 15.2923 15.2923 15.7058 15.7058 17.0877 17.0877 17.1867 17.1867 k = 0.3108 0.1781-0.0000 ( 2206 PWs) bands (ev): 5.8654 5.8654 7.2948 7.2948 7.3047 7.3047 8.0885 8.0885 8.1392 8.1392 8.8876 8.8876 9.3020 9.3020 9.7401 9.7401 9.8783 9.8783 10.0839 10.0839 10.7177 10.7177 11.3434 11.3434 14.4294 14.4294 15.3675 15.3675 15.7766 15.7766 17.0488 17.0488 17.1936 17.1936 k = 0.3243 0.1858-0.0000 ( 2210 PWs) bands (ev): 5.9398 5.9398 7.2692 7.2692 7.2787 7.2787 8.0807 8.0807 8.1440 8.1440 8.8252 8.8252 9.3031 9.3031 9.7462 9.7462 9.8909 9.8909 10.0894 10.0894 10.7084 10.7084 11.3249 11.3249 14.4216 14.4216 15.4454 15.4454 15.8488 15.8488 17.0061 17.0061 17.2004 17.2004 k = 0.3378 0.1936-0.0000 ( 2218 PWs) bands (ev): 6.0152 6.0152 7.2355 7.2355 7.2636 7.2636 8.0730 8.0730 8.1483 8.1483 8.7601 8.7601 9.3051 9.3051 9.7516 9.7516 9.8996 9.8996 10.0968 10.0968 10.6993 10.6993 11.3101 11.3101 14.4141 14.4141 15.5257 15.5257 15.9218 15.9218 16.9610 16.9610 17.2072 17.2072 k = 0.3514 0.2013-0.0000 ( 2206 PWs) bands (ev): 6.0911 6.0911 7.2039 7.2039 7.2495 7.2495 8.0654 8.0654 8.1523 8.1523 8.6930 8.6930 9.3077 9.3077 9.7566 9.7566 9.9045 9.9045 10.1063 10.1063 10.6907 10.6907 11.2986 11.2986 14.4069 14.4069 15.6081 15.6081 15.9950 15.9950 16.9148 16.9148 17.2137 17.2137 k = 0.3649 0.2091-0.0000 ( 2206 PWs) bands (ev): 6.1669 6.1669 7.1743 7.1743 7.2365 7.2365 8.0578 8.0578 8.1559 8.1559 8.6249 8.6249 9.3110 9.3110 9.7610 9.7610 9.9060 9.9060 10.1176 10.1176 10.6825 10.6825 11.2899 11.2899 14.4000 14.4000 15.6918 15.6918 16.0676 16.0676 16.8688 16.8688 17.2201 17.2201 k = 0.3784 0.2168-0.0000 ( 2214 PWs) bands (ev): 6.2421 6.2421 7.1469 7.1469 7.2247 7.2247 8.0501 8.0501 8.1591 8.1591 8.5567 8.5567 9.3148 9.3148 9.7649 9.7649 9.9047 9.9047 10.1299 10.1299 10.6747 10.6747 11.2836 11.2836 14.3936 14.3936 15.7762 15.7762 16.1388 16.1388 16.8240 16.8240 17.2262 17.2262 k = 0.3919 0.2245-0.0000 ( 2214 PWs) bands (ev): 6.3159 6.3159 7.1219 7.1219 7.2140 7.2140 8.0422 8.0422 8.1620 8.1620 8.4897 8.4897 9.3190 9.3190 9.7682 9.7682 9.9014 9.9014 10.1428 10.1428 10.6675 10.6675 11.2794 11.2794 14.3877 14.3877 15.8604 15.8604 16.2076 16.2076 16.7814 16.7814 17.2322 17.2322 k = 0.4054 0.2323-0.0000 ( 2222 PWs) bands (ev): 6.3873 6.3873 7.0992 7.0992 7.2045 7.2045 8.0338 8.0338 8.1645 8.1645 8.4253 8.4253 9.3233 9.3233 9.7712 9.7712 9.8967 9.8967 10.1555 10.1555 10.6609 10.6609 11.2768 11.2768 14.3823 14.3823 15.9432 15.9432 16.2728 16.2728 16.7419 16.7419 17.2378 17.2378 k = 0.4189 0.2400-0.0000 ( 2206 PWs) bands (ev): 6.4552 6.4552 7.0790 7.0790 7.1962 7.1962 8.0247 8.0247 8.1666 8.1666 8.3653 8.3653 9.3276 9.3276 9.7737 9.7737 9.8914 9.8914 10.1674 10.1674 10.6549 10.6549 11.2755 11.2755 14.3775 14.3775 16.0230 16.0230 16.3333 16.3333 16.7063 16.7063 17.2432 17.2432 k = 0.4324 0.2478-0.0000 ( 2210 PWs) bands (ev): 6.5181 6.5181 7.0614 7.0614 7.1892 7.1892 8.0145 8.0145 8.1684 8.1684 8.3116 8.3116 9.3316 9.3316 9.7757 9.7757 9.8859 9.8859 10.1783 10.1783 10.6497 10.6497 11.2750 11.2750 14.3734 14.3734 16.0980 16.0980 16.3877 16.3877 16.6751 16.6751 17.2481 17.2481 k = 0.4459 0.2555-0.0000 ( 2210 PWs) bands (ev): 6.5743 6.5743 7.0463 7.0463 7.1834 7.1834 8.0032 8.0032 8.1698 8.1698 8.2661 8.2661 9.3353 9.3353 9.7774 9.7774 9.8808 9.8808 10.1876 10.1876 10.6453 10.6453 11.2750 11.2750 14.3700 14.3700 16.1656 16.1656 16.4346 16.4346 16.6490 16.6490 17.2525 17.2525 k = 0.4595 0.2632-0.0000 ( 2202 PWs) bands (ev): 6.6217 6.6217 7.0341 7.0341 7.1789 7.1789 7.9913 7.9913 8.1709 8.1709 8.2305 8.2305 9.3384 9.3384 9.7786 9.7786 9.8765 9.8765 10.1951 10.1951 10.6417 10.6417 11.2753 11.2753 14.3673 14.3673 16.2231 16.2231 16.4728 16.4728 16.6283 16.6283 17.2563 17.2563 k = 0.4730 0.2710-0.0000 ( 2202 PWs) bands (ev): 6.6581 6.6581 7.0248 7.0248 7.1757 7.1757 7.9803 7.9803 8.1717 8.1717 8.2055 8.2055 9.3407 9.3407 9.7795 9.7795 9.8732 9.8732 10.2006 10.2006 10.6392 10.6392 11.2757 11.2757 14.3653 14.3653 16.2673 16.2673 16.5011 16.5011 16.6135 16.6135 17.2591 17.2591 k = 0.4865 0.2787-0.0000 ( 2202 PWs) bands (ev): 6.6811 6.6811 7.0189 7.0189 7.1737 7.1737 7.9724 7.9724 8.1722 8.1722 8.1909 8.1909 9.3422 9.3422 9.7801 9.7801 9.8711 9.8711 10.2040 10.2040 10.6376 10.6376 11.2760 11.2760 14.3641 14.3641 16.2952 16.2952 16.5184 16.5184 16.6046 16.6046 17.2610 17.2610 k = 0.5000 0.2865-0.0000 ( 2202 PWs) bands (ev): 6.6890 6.6890 7.0169 7.0169 7.1731 7.1731 7.9695 7.9695 8.1723 8.1723 8.1861 8.1861 9.3427 9.3427 9.7802 9.7802 9.8704 9.8704 10.2052 10.2052 10.6371 10.6371 11.2761 11.2761 14.3637 14.3637 16.3048 16.3048 16.5242 16.5242 16.6016 16.6016 17.2616 17.2616 k = 0.5000 0.2865-0.0000 ( 2202 PWs) bands (ev): 6.6890 6.6890 7.0169 7.0169 7.1731 7.1731 7.9695 7.9695 8.1723 8.1723 8.1861 8.1861 9.3427 9.3427 9.7802 9.7802 9.8704 9.8704 10.2052 10.2052 10.6371 10.6371 11.2761 11.2761 14.3637 14.3637 16.3048 16.3048 16.5242 16.5242 16.6016 16.6016 17.2616 17.2616 k = 0.4945 0.2961 0.0111 ( 2202 PWs) bands (ev): 6.6896 6.6896 7.0175 7.0175 7.1741 7.1741 7.9614 7.9614 8.1732 8.1732 8.1933 8.1933 9.3404 9.3404 9.7796 9.7796 9.8730 9.8730 10.2075 10.2075 10.6380 10.6380 11.2757 11.2757 14.3645 14.3645 16.3041 16.3041 16.5229 16.5229 16.6001 16.6001 17.2460 17.2460 k = 0.4890 0.3057 0.0221 ( 2202 PWs) bands (ev): 6.6915 6.6915 7.0195 7.0195 7.1771 7.1771 7.9403 7.9403 8.1720 8.1720 8.2154 8.2154 9.3340 9.3340 9.7772 9.7772 9.8810 9.8810 10.2145 10.2145 10.6409 10.6409 11.2745 11.2745 14.3669 14.3669 16.3020 16.3020 16.5189 16.5189 16.5954 16.5954 17.2026 17.2026 k = 0.4835 0.3153 0.0332 ( 2198 PWs) bands (ev): 6.6945 6.6945 7.0228 7.0228 7.1822 7.1822 7.9119 7.9119 8.1685 8.1685 8.2470 8.2470 9.3243 9.3243 9.7727 9.7727 9.8946 9.8946 10.2256 10.2256 10.6457 10.6457 11.2725 11.2725 14.3707 14.3707 16.2981 16.2981 16.5124 16.5124 16.5875 16.5875 17.1385 17.1385 k = 0.4780 0.3249 0.0442 ( 2194 PWs) bands (ev): 6.6987 6.6987 7.0274 7.0274 7.1892 7.1892 7.8798 7.8798 8.1633 8.1633 8.2834 8.2834 9.3124 9.3124 9.7662 9.7662 9.9134 9.9134 10.2404 10.2404 10.6522 10.6522 11.2698 11.2698 14.3759 14.3759 16.2920 16.2920 16.5038 16.5038 16.5762 16.5762 17.0613 17.0613 k = 0.4725 0.3345 0.0553 ( 2192 PWs) bands (ev): 6.7041 6.7041 7.0334 7.0334 7.1981 7.1981 7.8464 7.8464 8.1566 8.1566 8.3221 8.3221 9.2996 9.2996 9.7579 9.7579 9.9366 9.9366 10.2580 10.2580 10.6605 10.6605 11.2662 11.2662 14.3823 14.3823 16.2830 16.2830 16.4931 16.4931 16.5613 16.5613 16.9775 16.9775 k = 0.4670 0.3441 0.0664 ( 2192 PWs) bands (ev): 6.7105 6.7105 7.0406 7.0406 7.2088 7.2088 7.8126 7.8126 8.1485 8.1485 8.3614 8.3614 9.2874 9.2874 9.7488 9.7488 9.9633 9.9633 10.2780 10.2780 10.6705 10.6705 11.2619 11.2619 14.3896 14.3896 16.2701 16.2701 16.4804 16.4804 16.5429 16.5429 16.8919 16.8919 k = 0.4615 0.3537 0.0774 ( 2190 PWs) bands (ev): 6.7179 6.7179 7.0491 7.0491 7.2213 7.2213 7.7792 7.7792 8.1393 8.1393 8.4000 8.4000 9.2772 9.2772 9.7394 9.7394 9.9925 9.9925 10.2998 10.2998 10.6819 10.6819 11.2567 11.2567 14.3977 14.3977 16.2522 16.2522 16.4649 16.4649 16.5212 16.5212 16.8087 16.8087 k = 0.4560 0.3633 0.0885 ( 2190 PWs) bands (ev): 6.7262 6.7262 7.0588 7.0588 7.2353 7.2353 7.7465 7.7465 8.1291 8.1291 8.4369 8.4369 9.2703 9.2703 9.7305 9.7305 10.0234 10.0234 10.3228 10.3228 10.6947 10.6947 11.2508 11.2508 14.4060 14.4060 16.2279 16.2279 16.4439 16.4439 16.4981 16.4981 16.7321 16.7321 k = 0.4505 0.3729 0.0996 ( 2194 PWs) bands (ev): 6.7353 6.7353 7.0698 7.0698 7.2507 7.2507 7.7149 7.7149 8.1179 8.1179 8.4708 8.4708 9.2682 9.2682 9.7224 9.7224 10.0554 10.0554 10.3465 10.3465 10.7087 10.7087 11.2441 11.2441 14.4142 14.4142 16.1958 16.1958 16.4135 16.4135 16.4758 16.4758 16.6658 16.6658 k = 0.4450 0.3825 0.1106 ( 2196 PWs) bands (ev): 6.7451 6.7451 7.0820 7.0820 7.2673 7.2673 7.6847 7.6847 8.1059 8.1059 8.5009 8.5009 9.2721 9.2721 9.7158 9.7158 10.0880 10.0880 10.3707 10.3707 10.7238 10.7238 11.2367 11.2367 14.4218 14.4218 16.1549 16.1549 16.3736 16.3736 16.4531 16.4531 16.6137 16.6137 k = 0.4395 0.3921 0.1217 ( 2200 PWs) bands (ev): 6.7555 6.7555 7.0953 7.0953 7.2847 7.2847 7.6561 7.6561 8.0934 8.0934 8.5261 8.5261 9.2832 9.2832 9.7109 9.7109 10.1207 10.1207 10.3950 10.3950 10.7399 10.7399 11.2284 11.2284 14.4280 14.4280 16.1045 16.1045 16.3282 16.3282 16.4245 16.4245 16.5779 16.5779 k = 0.4340 0.4017 0.1327 ( 2216 PWs) bands (ev): 6.7665 6.7665 7.1096 7.1096 7.3024 7.3024 7.6295 7.6295 8.0804 8.0804 8.5458 8.5458 9.3022 9.3022 9.7082 9.7082 10.1533 10.1533 10.4192 10.4192 10.7567 10.7567 11.2194 11.2194 14.4321 14.4321 16.0457 16.0457 16.2817 16.2817 16.3860 16.3860 16.5579 16.5579 k = 0.4285 0.4112 0.1438 ( 2216 PWs) bands (ev): 6.7779 6.7779 7.1251 7.1251 7.3197 7.3197 7.6056 7.6056 8.0673 8.0673 8.5599 8.5599 9.3294 9.3294 9.7081 9.7081 10.1855 10.1855 10.4429 10.4429 10.7741 10.7741 11.2096 11.2096 14.4330 14.4330 15.9804 15.9804 16.2361 16.2361 16.3379 16.3379 16.5497 16.5497 k = 0.4230 0.4208 0.1549 ( 2212 PWs) bands (ev): 6.7896 6.7896 7.1414 7.1414 7.3358 7.3358 7.5851 7.5851 8.0540 8.0540 8.5688 8.5688 9.3644 9.3644 9.7108 9.7108 10.2170 10.2170 10.4659 10.4659 10.7921 10.7921 11.1991 11.1991 14.4296 14.4296 15.9115 15.9115 16.1918 16.1918 16.2817 16.2817 16.5492 16.5492 k = 0.4175 0.4304 0.1659 ( 2212 PWs) bands (ev): 6.8015 6.8015 7.1586 7.1586 7.3490 7.3490 7.5694 7.5694 8.0409 8.0409 8.5730 8.5730 9.4065 9.4065 9.7167 9.7167 10.2477 10.2477 10.4881 10.4881 10.8104 10.8104 11.1878 11.1878 14.4206 14.4206 15.8416 15.8416 16.1486 16.1486 16.2193 16.2193 16.5536 16.5536 k = 0.4120 0.4400 0.1770 ( 2216 PWs) bands (ev): 6.8136 6.8136 7.1766 7.1766 7.3579 7.3579 7.5598 7.5598 8.0282 8.0282 8.5735 8.5735 9.4545 9.4545 9.7262 9.7262 10.2776 10.2776 10.5092 10.5092 10.8290 10.8290 11.1758 11.1758 14.4043 14.4043 15.7727 15.7727 16.1057 16.1057 16.1525 16.1525 16.5614 16.5614 k = 0.4065 0.4496 0.1880 ( 2220 PWs) bands (ev): 6.8258 6.8258 7.1952 7.1952 7.3608 7.3608 7.5577 7.5577 8.0159 8.0159 8.5712 8.5712 9.5069 9.5069 9.7397 9.7397 10.3067 10.3067 10.5291 10.5291 10.8479 10.8479 11.1630 11.1630 14.3791 14.3791 15.7066 15.7066 16.0598 16.0598 16.0857 16.0857 16.5719 16.5719 k = 0.4010 0.4592 0.1991 ( 2212 PWs) bands (ev): 6.8379 6.8379 7.2144 7.2144 7.3575 7.3575 7.5630 7.5630 8.0045 8.0045 8.5673 8.5673 9.5620 9.5620 9.7581 9.7581 10.3352 10.3352 10.5475 10.5475 10.8669 10.8669 11.1496 11.1496 14.3430 14.3430 15.6448 15.6448 15.9990 15.9990 16.0328 16.0328 16.5845 16.5845 k = 0.3955 0.4688 0.2102 ( 2212 PWs) bands (ev): 6.8500 6.8500 7.2338 7.2338 7.3490 7.3490 7.5745 7.5745 7.9939 7.9939 8.5626 8.5626 9.6175 9.6175 9.7820 9.7820 10.3632 10.3632 10.5645 10.5645 10.8859 10.8859 11.1356 11.1356 14.2946 14.2946 15.5881 15.5881 15.9285 15.9285 15.9907 15.9907 16.5990 16.5990 k = 0.3900 0.4784 0.2212 ( 2212 PWs) bands (ev): 6.8619 6.8619 7.2533 7.2533 7.3372 7.3372 7.5900 7.5900 7.9846 7.9846 8.5579 8.5579 9.6711 9.6711 9.8128 9.8128 10.3914 10.3914 10.5797 10.5797 10.9051 10.9051 11.1210 11.1210 14.2326 14.2326 15.5375 15.5375 15.8583 15.8583 15.9512 15.9512 16.6150 16.6150 k = 0.3845 0.4880 0.2323 ( 2210 PWs) bands (ev): 6.8737 6.8737 7.2724 7.2724 7.3240 7.3240 7.6078 7.6078 7.9766 7.9766 8.5540 8.5540 9.7207 9.7207 9.8509 9.8509 10.4203 10.4203 10.5932 10.5932 10.9243 10.9243 11.1062 11.1062 14.1563 14.1563 15.4932 15.4932 15.7916 15.7916 15.9131 15.9131 16.6325 16.6325 k = 0.3790 0.4976 0.2434 ( 2196 PWs) bands (ev): 6.8853 6.8853 7.2878 7.2878 7.3135 7.3135 7.6264 7.6264 7.9701 7.9701 8.5514 8.5514 9.7658 9.7658 9.8951 9.8951 10.4508 10.4508 10.6049 10.6049 10.9436 10.9436 11.0913 11.0913 14.0659 14.0659 15.4553 15.4553 15.7297 15.7297 15.8764 15.8764 16.6513 16.6513 k = 0.3735 0.5072 0.2544 ( 2188 PWs) bands (ev): 6.8966 6.8966 7.2858 7.2858 7.3200 7.3200 7.6447 7.6447 7.9655 7.9655 8.5506 8.5506 9.8077 9.8077 9.9419 9.9419 10.4839 10.4839 10.6147 10.6147 10.9629 10.9629 11.0768 11.0768 13.9624 13.9624 15.4231 15.4231 15.6735 15.6735 15.8412 15.8412 16.6714 16.6714 k = 0.3680 0.5168 0.2655 ( 2180 PWs) bands (ev): 6.9077 6.9077 7.2729 7.2729 7.3374 7.3374 7.6621 7.6621 7.9626 7.9626 8.5522 8.5522 9.8486 9.8486 9.9872 9.9872 10.5202 10.5202 10.6228 10.6228 10.9823 10.9823 11.0634 11.0634 13.8471 13.8471 15.3958 15.3958 15.6234 15.6234 15.8075 15.8075 16.6925 16.6925 k = 0.3625 0.5264 0.2765 ( 2180 PWs) bands (ev): 6.9185 6.9185 7.2587 7.2587 7.3561 7.3561 7.6779 7.6779 7.9617 7.9617 8.5564 8.5564 9.8898 9.8898 10.0276 10.0276 10.5592 10.5592 10.6300 10.6300 11.0013 11.0013 11.0528 11.0528 13.7219 13.7219 15.3722 15.3722 15.5796 15.5796 15.7755 15.7755 16.7147 16.7147 k = 0.3570 0.5360 0.2876 ( 2180 PWs) bands (ev): 6.9291 6.9291 7.2449 7.2449 7.3746 7.3746 7.6919 7.6919 7.9626 7.9626 8.5635 8.5635 9.9321 9.9321 10.0606 10.0606 10.5966 10.5966 10.6398 10.6398 11.0189 11.0189 11.0482 11.0482 13.5887 13.5887 15.3511 15.3511 15.5422 15.5422 15.7454 15.7454 16.7378 16.7378 k = 0.3515 0.5456 0.2987 ( 2184 PWs) bands (ev): 6.9394 6.9394 7.2317 7.2317 7.3926 7.3926 7.7040 7.7040 7.9652 7.9652 8.5737 8.5737 9.9756 9.9756 10.0854 10.0854 10.6171 10.6171 10.6641 10.6641 11.0314 11.0314 11.0566 11.0566 13.4493 13.4493 15.3311 15.3311 15.5115 15.5115 15.7174 15.7174 16.7616 16.7616 k = 0.3460 0.5552 0.3097 ( 2188 PWs) bands (ev): 6.9494 6.9494 7.2194 7.2194 7.4099 7.4099 7.7145 7.7145 7.9691 7.9691 8.5870 8.5870 10.0203 10.0203 10.1020 10.1020 10.6211 10.6211 10.6974 10.6974 11.0439 11.0439 11.0780 11.0780 13.3057 13.3057 15.3107 15.3107 15.4876 15.4876 15.6917 15.6917 16.7861 16.7861 k = 0.3405 0.5648 0.3208 ( 2192 PWs) bands (ev): 6.9591 6.9591 7.2081 7.2081 7.4264 7.4264 7.7234 7.7234 7.9740 7.9740 8.6034 8.6034 10.0651 10.0651 10.1116 10.1116 10.6194 10.6194 10.7227 10.7227 11.0644 11.0644 11.1097 11.1097 13.1593 13.1593 15.2888 15.2888 15.4708 15.4708 15.6684 15.6684 16.8111 16.8111 k = 0.3350 0.5744 0.3318 ( 2188 PWs) bands (ev): 6.9686 6.9686 7.1979 7.1979 7.4419 7.4419 7.7313 7.7313 7.9798 7.9798 8.6227 8.6227 10.1003 10.1003 10.1243 10.1243 10.6146 10.6146 10.7347 10.7347 11.0898 11.0898 11.1569 11.1569 13.0117 13.0117 15.2648 15.2648 15.4609 15.4609 15.6478 15.6478 16.8365 16.8365 k = 0.3295 0.5840 0.3429 ( 2190 PWs) bands (ev): 6.9778 6.9778 7.1889 7.1889 7.4565 7.4565 7.7383 7.7383 7.9860 7.9860 8.6446 8.6446 10.1023 10.1023 10.1638 10.1638 10.6074 10.6074 10.7345 10.7345 11.1154 11.1154 11.2217 11.2217 12.8644 12.8644 15.2382 15.2382 15.4574 15.4574 15.6300 15.6300 16.8620 16.8620 k = 0.3240 0.5936 0.3540 ( 2182 PWs) bands (ev): 6.9868 6.9868 7.1811 7.1811 7.4701 7.4701 7.7449 7.7449 7.9925 7.9925 8.6689 8.6689 10.0928 10.0928 10.2080 10.2080 10.5977 10.5977 10.7261 10.7261 11.1408 11.1408 11.3000 11.3000 12.7190 12.7190 15.2093 15.2093 15.4595 15.4595 15.6154 15.6154 16.8876 16.8876 k = 0.3185 0.6032 0.3650 ( 2182 PWs) bands (ev): 6.9955 6.9955 7.1746 7.1746 7.4827 7.4827 7.7511 7.7511 7.9990 7.9990 8.6951 8.6951 10.0778 10.0778 10.2504 10.2504 10.5855 10.5855 10.7135 10.7135 11.1670 11.1670 11.3864 11.3864 12.5771 12.5771 15.1783 15.1783 15.4665 15.4665 15.6042 15.6042 16.9129 16.9129 k = 0.3130 0.6128 0.3761 ( 2178 PWs) bands (ev): 7.0039 7.0039 7.1695 7.1695 7.4942 7.4942 7.7573 7.7573 8.0055 8.0055 8.7230 8.7230 10.0583 10.0583 10.2889 10.2889 10.5703 10.5703 10.7003 10.7003 11.1946 11.1946 11.4766 11.4766 12.4411 12.4411 15.1455 15.1455 15.4774 15.4774 15.5970 15.5970 16.9379 16.9379 k = 0.3075 0.6224 0.3872 ( 2178 PWs) bands (ev): 7.0120 7.0120 7.1657 7.1657 7.5048 7.5048 7.7636 7.7636 8.0118 8.0118 8.7520 8.7520 10.0348 10.0348 10.3214 10.3214 10.5516 10.5516 10.6896 10.6896 11.2242 11.2242 11.5657 11.5657 12.3148 12.3148 15.1111 15.1111 15.4915 15.4915 15.5943 15.5943 16.9622 16.9622 k = 0.3020 0.6320 0.3982 ( 2180 PWs) bands (ev): 7.0197 7.0197 7.1634 7.1634 7.5144 7.5144 7.7700 7.7700 8.0178 8.0178 8.7819 8.7819 10.0077 10.0077 10.3461 10.3461 10.5287 10.5287 10.6839 10.6839 11.2559 11.2559 11.6457 11.6457 12.2058 12.2058 15.0753 15.0753 15.5076 15.5076 15.5968 15.5968 16.9857 16.9857 k = 0.2965 0.6416 0.4093 ( 2176 PWs) bands (ev): 7.0270 7.0270 7.1627 7.1627 7.5232 7.5232 7.7767 7.7767 8.0234 8.0234 8.8121 8.8121 9.9773 9.9773 10.3615 10.3615 10.5016 10.5016 10.6845 10.6845 11.2895 11.2895 11.6999 11.6999 12.1315 12.1315 15.0382 15.0382 15.5249 15.5249 15.6056 15.6056 17.0080 17.0080 k = 0.2910 0.6512 0.4203 ( 2174 PWs) bands (ev): 7.0338 7.0338 7.1634 7.1634 7.5310 7.5310 7.7836 7.7836 8.0285 8.0285 8.8425 8.8425 9.9439 9.9439 10.3673 10.3673 10.4706 10.4706 10.6912 10.6912 11.3235 11.3235 11.7037 11.7037 12.1180 12.1180 15.0001 15.0001 15.5427 15.5427 15.6211 15.6211 17.0290 17.0290 k = 0.2910 0.6512 0.4203 ( 2174 PWs) bands (ev): 7.0338 7.0338 7.1634 7.1634 7.5310 7.5310 7.7836 7.7836 8.0285 8.0285 8.8425 8.8425 9.9439 9.9439 10.3673 10.3673 10.4706 10.4706 10.6912 10.6912 11.3235 11.3235 11.7037 11.7037 12.1180 12.1180 15.0001 15.0001 15.5427 15.5427 15.6211 15.6211 17.0290 17.0290 k = 0.2765 0.6476 0.4245 ( 2179 PWs) bands (ev): 7.0355 7.0355 7.1651 7.1651 7.5346 7.5346 7.7855 7.7855 8.0319 8.0319 8.8536 8.8536 9.9290 9.9290 10.3660 10.3660 10.4534 10.4534 10.6938 10.6938 11.3305 11.3305 11.6930 11.6930 12.1423 12.1423 14.9855 14.9855 15.5495 15.5495 15.6288 15.6288 17.0365 17.0365 k = 0.2619 0.6440 0.4286 ( 2187 PWs) bands (ev): 7.0356 7.0356 7.1689 7.1689 7.5399 7.5399 7.7860 7.7860 8.0387 8.0387 8.8642 8.8642 9.9105 9.9105 10.3613 10.3613 10.4267 10.4267 10.6951 10.6951 11.3262 11.3262 11.6810 11.6810 12.1973 12.1973 14.9701 14.9701 15.5561 15.5561 15.6383 15.6383 17.0441 17.0441 k = 0.2474 0.6405 0.4327 ( 2189 PWs) bands (ev): 7.0339 7.0339 7.1751 7.1751 7.5468 7.5468 7.7854 7.7854 8.0490 8.0490 8.8739 8.8739 9.8887 9.8887 10.3535 10.3535 10.3915 10.3915 10.6962 10.6962 11.3108 11.3108 11.6714 11.6714 12.2766 12.2766 14.9538 14.9538 15.5617 15.5617 15.6496 15.6496 17.0515 17.0515 k = 0.2328 0.6369 0.4368 ( 2187 PWs) bands (ev): 7.0307 7.0307 7.1835 7.1835 7.5548 7.5548 7.7839 7.7839 8.0626 8.0626 8.8827 8.8827 9.8639 9.8639 10.3416 10.3416 10.3505 10.3505 10.6979 10.6979 11.2862 11.2862 11.6665 11.6665 12.3740 12.3740 14.9366 14.9366 15.5662 15.5662 15.6629 15.6629 17.0588 17.0588 k = 0.2183 0.6333 0.4410 ( 2185 PWs) bands (ev): 7.0262 7.0262 7.1938 7.1938 7.5638 7.5638 7.7822 7.7822 8.0793 8.0793 8.8901 8.8901 9.8367 9.8367 10.2992 10.2992 10.3318 10.3318 10.7007 10.7007 11.2553 11.2553 11.6663 11.6663 12.4842 12.4842 14.9181 14.9181 15.5691 15.5691 15.6781 15.6781 17.0660 17.0660 k = 0.2037 0.6297 0.4451 ( 2183 PWs) bands (ev): 7.0207 7.0207 7.2056 7.2056 7.5731 7.5731 7.7809 7.7809 8.0988 8.0988 8.8959 8.8959 9.8074 9.8074 10.2465 10.2465 10.3170 10.3170 10.7049 10.7049 11.2207 11.2207 11.6699 11.6699 12.6032 12.6032 14.8982 14.8982 15.5706 15.5706 15.6947 15.6947 17.0730 17.0730 k = 0.1892 0.6261 0.4492 ( 2185 PWs) bands (ev): 7.0146 7.0146 7.2186 7.2186 7.5822 7.5822 7.7807 7.7807 8.1208 8.1208 8.8995 8.8995 9.7767 9.7767 10.1913 10.1913 10.3008 10.3008 10.7104 10.7104 11.1847 11.1847 11.6762 11.6762 12.7282 12.7282 14.8767 14.8767 15.5706 15.5706 15.7124 15.7124 17.0797 17.0797 k = 0.1746 0.6225 0.4534 ( 2188 PWs) bands (ev): 7.0081 7.0081 7.2324 7.2324 7.5902 7.5902 7.7823 7.7823 8.1450 8.1450 8.9006 8.9006 9.7451 9.7451 10.1352 10.1352 10.2834 10.2834 10.7171 10.7171 11.1487 11.1487 11.6841 11.6841 12.8570 12.8570 14.8532 14.8532 15.5693 15.5693 15.7307 15.7307 17.0862 17.0862 k = 0.1601 0.6190 0.4575 ( 2184 PWs) bands (ev): 7.0016 7.0016 7.2468 7.2468 7.5967 7.5967 7.7864 7.7864 8.1714 8.1714 8.8987 8.8987 9.7134 9.7134 10.0797 10.0797 10.2649 10.2649 10.7247 10.7247 11.1137 11.1137 11.6930 11.6930 12.9878 12.9878 14.8275 14.8275 15.5667 15.5667 15.7492 15.7492 17.0923 17.0923 k = 0.1455 0.6154 0.4616 ( 2187 PWs) bands (ev): 6.9950 6.9950 7.2614 7.2614 7.6010 7.6010 7.7932 7.7932 8.1996 8.1996 8.8932 8.8932 9.6821 9.6821 10.0263 10.0263 10.2458 10.2458 10.7332 10.7332 11.0803 11.0803 11.7021 11.7021 13.1191 13.1191 14.7993 14.7993 15.5630 15.5630 15.7674 15.7674 17.0980 17.0980 k = 0.1310 0.6118 0.4657 ( 2189 PWs) bands (ev): 6.9888 6.9888 7.2760 7.2760 7.6031 7.6031 7.8025 7.8025 8.2296 8.2296 8.8838 8.8838 9.6519 9.6519 9.9760 9.9760 10.2266 10.2266 10.7423 10.7423 11.0489 11.0489 11.7111 11.7111 13.2497 13.2497 14.7681 14.7681 15.5583 15.5583 15.7850 15.7850 17.1033 17.1033 k = 0.1164 0.6082 0.4699 ( 2187 PWs) bands (ev): 6.9829 6.9829 7.2903 7.2903 7.6032 7.6032 7.8140 7.8140 8.2612 8.2612 8.8701 8.8701 9.6235 9.6235 9.9298 9.9298 10.2075 10.2075 10.7520 10.7520 11.0196 11.0196 11.7198 11.7198 13.3785 13.3785 14.7337 14.7337 15.5527 15.5527 15.8018 15.8018 17.1081 17.1081 k = 0.1019 0.6046 0.4740 ( 2191 PWs) bands (ev): 6.9774 6.9774 7.3040 7.3040 7.6016 7.6016 7.8269 7.8269 8.2942 8.2942 8.8519 8.8519 9.5975 9.5975 9.8885 9.8885 10.1890 10.1890 10.7623 10.7623 10.9924 10.9924 11.7278 11.7278 13.5044 13.5044 14.6954 14.6954 15.5466 15.5466 15.8172 15.8172 17.1125 17.1125 k = 0.0873 0.6011 0.4781 ( 2183 PWs) bands (ev): 6.9725 6.9725 7.3169 7.3169 7.5989 7.5989 7.8403 7.8403 8.3284 8.3284 8.8295 8.8295 9.5742 9.5742 9.8526 9.8526 10.1717 10.1717 10.7729 10.7729 10.9673 10.9673 11.7351 11.7351 13.6264 13.6264 14.6530 14.6530 15.5402 15.5402 15.8312 15.8312 17.1163 17.1163 k = 0.0728 0.5975 0.4822 ( 2187 PWs) bands (ev): 6.9683 6.9683 7.3286 7.3286 7.5955 7.5955 7.8532 7.8532 8.3635 8.3635 8.8032 8.8032 9.5541 9.5541 9.8224 9.8224 10.1559 10.1559 10.7841 10.7841 10.9443 10.9443 11.7414 11.7414 13.7435 13.7435 14.6059 14.6059 15.5339 15.5339 15.8435 15.8435 17.1196 17.1196 k = 0.0582 0.5939 0.4864 ( 2187 PWs) bands (ev): 6.9647 6.9647 7.3388 7.3388 7.5920 7.5920 7.8650 7.8650 8.3988 8.3988 8.7742 8.7742 9.5373 9.5373 9.7981 9.7981 10.1422 10.1422 10.7956 10.7956 10.9231 10.9231 11.7466 11.7466 13.8547 13.8547 14.5541 14.5541 15.5280 15.5280 15.8538 15.8538 17.1223 17.1223 k = 0.0437 0.5903 0.4905 ( 2191 PWs) bands (ev): 6.9619 6.9619 7.3472 7.3472 7.5887 7.5887 7.8749 7.8749 8.4332 8.4332 8.7439 8.7439 9.5241 9.5241 9.7796 9.7796 10.1309 10.1309 10.8075 10.8075 10.9039 10.9039 11.7508 11.7508 13.9587 13.9587 14.4976 14.4976 15.5229 15.5229 15.8620 15.8620 17.1244 17.1244 k = 0.0291 0.5867 0.4946 ( 2191 PWs) bands (ev): 6.9599 6.9599 7.3534 7.3534 7.5861 7.5861 7.8824 7.8824 8.4645 8.4645 8.7152 8.7152 9.5145 9.5145 9.7666 9.7666 10.1226 10.1226 10.8197 10.8197 10.8865 10.8865 11.7538 11.7538 14.0529 14.0529 14.4380 14.4380 15.5190 15.5190 15.8680 15.8680 17.1260 17.1260 k = 0.0146 0.5832 0.4988 ( 2192 PWs) bands (ev): 6.9587 6.9587 7.3573 7.3573 7.5844 7.5844 7.8871 7.8871 8.4883 8.4883 8.6927 8.6927 9.5087 9.5087 9.7589 9.7589 10.1175 10.1175 10.8313 10.8313 10.8719 10.8719 11.7557 11.7557 14.1307 14.1307 14.3814 14.3814 15.5166 15.5166 15.8716 15.8716 17.1269 17.1269 k = 0.0000 0.5796 0.5029 ( 2190 PWs) bands (ev): 6.9583 6.9583 7.3586 7.3586 7.5838 7.5838 7.8887 7.8887 8.4977 8.4977 8.6837 8.6837 9.5067 9.5067 9.7564 9.7564 10.1157 10.1157 10.8377 10.8377 10.8645 10.8645 11.7563 11.7563 14.1669 14.1669 14.3523 14.3523 15.5157 15.5157 15.8728 15.8728 17.1272 17.1272 k = 0.0000 0.5796 0.5029 ( 2190 PWs) bands (ev): 6.9583 6.9583 7.3586 7.3586 7.5838 7.5838 7.8887 7.8887 8.4977 8.4977 8.6837 8.6837 9.5067 9.5067 9.7564 9.7564 10.1157 10.1157 10.8377 10.8377 10.8645 10.8645 11.7563 11.7563 14.1669 14.1669 14.3523 14.3523 15.5157 15.5157 15.8728 15.8728 17.1272 17.1272 k = 0.0056 0.5699 0.5141 ( 2184 PWs) bands (ev): 6.9595 6.9595 7.3594 7.3594 7.5840 7.5840 7.8884 7.8884 8.4941 8.4941 8.6880 8.6880 9.5065 9.5065 9.7551 9.7551 10.1170 10.1170 10.8235 10.8235 10.8795 10.8795 11.7553 11.7553 14.1686 14.1686 14.3444 14.3444 15.5170 15.5170 15.8808 15.8808 17.1291 17.1291 k = 0.0111 0.5602 0.5252 ( 2180 PWs) bands (ev): 6.9632 6.9632 7.3616 7.3616 7.5847 7.5847 7.8875 7.8875 8.4843 8.4843 8.7002 8.7002 9.5059 9.5059 9.7514 9.7514 10.1209 10.1209 10.8018 10.8018 10.9036 10.9036 11.7526 11.7526 14.1735 14.1735 14.3216 14.3216 15.5206 15.5206 15.9044 15.9044 17.1349 17.1349 k = 0.0167 0.5505 0.5364 ( 2182 PWs) bands (ev): 6.9694 6.9694 7.3652 7.3652 7.5858 7.5858 7.8859 7.8859 8.4700 8.4700 8.7184 8.7184 9.5048 9.5048 9.7454 9.7454 10.1269 10.1269 10.7800 10.7800 10.9295 10.9295 11.7480 11.7480 14.1805 14.1805 14.2866 14.2866 15.5262 15.5262 15.9421 15.9421 17.1446 17.1446 k = 0.0222 0.5408 0.5476 ( 2182 PWs) bands (ev): 6.9780 6.9780 7.3701 7.3701 7.5874 7.5874 7.8839 7.8839 8.4529 8.4529 8.7410 8.7410 9.5032 9.5032 9.7376 9.7376 10.1349 10.1349 10.7590 10.7590 10.9561 10.9561 11.7417 11.7417 14.1831 14.1831 14.2482 14.2482 15.5334 15.5334 15.9915 15.9915 17.1584 17.1584 k = 0.0278 0.5311 0.5588 ( 2186 PWs) bands (ev): 6.9891 6.9891 7.3762 7.3762 7.5894 7.5894 7.8814 7.8814 8.4343 8.4343 8.7669 8.7669 9.5013 9.5013 9.7282 9.7282 10.1442 10.1442 10.7391 10.7391 10.9834 10.9834 11.7337 11.7337 14.1545 14.1545 14.2357 14.2357 15.5420 15.5420 16.0502 16.0502 17.1766 17.1766 k = 0.0333 0.5214 0.5699 ( 2186 PWs) bands (ev): 7.0024 7.0024 7.3832 7.3832 7.5920 7.5920 7.8786 7.8786 8.4149 8.4149 8.7954 8.7954 9.4989 9.4989 9.7177 9.7177 10.1545 10.1545 10.7203 10.7203 11.0111 11.0111 11.7241 11.7241 14.0960 14.0960 14.2501 14.2501 15.5516 15.5516 16.1153 16.1153 17.1995 17.1995 k = 0.0389 0.5117 0.5811 ( 2192 PWs) bands (ev): 7.0180 7.0180 7.3910 7.3910 7.5952 7.5952 7.8754 7.8754 8.3953 8.3953 8.8260 8.8260 9.4961 9.4961 9.7064 9.7064 10.1652 10.1652 10.7028 10.7028 11.0391 11.0391 11.7132 11.7132 14.0275 14.0275 14.2733 14.2733 15.5623 15.5623 16.1846 16.1846 17.2275 17.2275 k = 0.0444 0.5020 0.5923 ( 2188 PWs) bands (ev): 7.0358 7.0358 7.3993 7.3993 7.5989 7.5989 7.8721 7.8721 8.3759 8.3759 8.8585 8.8585 9.4929 9.4929 9.6947 9.6947 10.1760 10.1760 10.6866 10.6866 11.0673 11.0673 11.7010 11.7010 13.9543 13.9543 14.3015 14.3015 15.5737 15.5737 16.2555 16.2555 17.2609 17.2609 k = 0.0500 0.4923 0.6035 ( 2188 PWs) bands (ev): 7.0556 7.0556 7.4077 7.4077 7.6033 7.6033 7.8687 7.8687 8.3572 8.3572 8.8927 8.8927 9.4894 9.4894 9.6828 9.6828 10.1865 10.1865 10.6718 10.6718 11.0956 11.0956 11.6877 11.6877 13.8787 13.8787 14.3339 14.3339 15.5859 15.5859 16.3263 16.3263 17.3002 17.3002 k = 0.0556 0.4826 0.6146 ( 2182 PWs) bands (ev): 7.0774 7.0774 7.4160 7.4160 7.6085 7.6085 7.8652 7.8652 8.3394 8.3394 8.9285 8.9285 9.4855 9.4855 9.6711 9.6711 10.1963 10.1963 10.6583 10.6583 11.1237 11.1237 11.6737 11.6737 13.8020 13.8020 14.3701 14.3701 15.5985 15.5985 16.3951 16.3951 17.3457 17.3457 k = 0.0611 0.4729 0.6258 ( 2176 PWs) bands (ev): 7.1010 7.1010 7.4236 7.4236 7.6146 7.6146 7.8617 7.8617 8.3231 8.3231 8.9658 8.9658 9.4813 9.4813 9.6597 9.6597 10.2052 10.2052 10.6463 10.6463 11.1515 11.1515 11.6591 11.6591 13.7251 13.7251 14.4099 14.4099 15.6114 15.6114 16.4606 16.4606 17.3975 17.3975 k = 0.0667 0.4632 0.6370 ( 2176 PWs) bands (ev): 7.1262 7.1262 7.4304 7.4304 7.6215 7.6215 7.8581 7.8581 8.3086 8.3086 9.0043 9.0043 9.4769 9.4769 9.6488 9.6488 10.2131 10.2131 10.6356 10.6356 11.1786 11.1786 11.6445 11.6445 13.6489 13.6489 14.4532 14.4532 15.6244 15.6244 16.5219 16.5219 17.4555 17.4555 k = 0.0722 0.4535 0.6482 ( 2176 PWs) bands (ev): 7.1528 7.1528 7.4360 7.4360 7.6295 7.6295 7.8542 7.8542 8.2964 8.2964 9.0441 9.0441 9.4722 9.4722 9.6386 9.6386 10.2197 10.2197 10.6262 10.6262 11.2047 11.2047 11.6302 11.6302 13.5739 13.5739 14.4998 14.4998 15.6372 15.6372 16.5783 16.5783 17.5192 17.5192 k = 0.0778 0.4438 0.6593 ( 2182 PWs) bands (ev): 7.1806 7.1806 7.4403 7.4403 7.6383 7.6383 7.8500 7.8500 8.2870 8.2870 9.0849 9.0849 9.4675 9.4675 9.6294 9.6294 10.2250 10.2250 10.6179 10.6179 11.2291 11.2291 11.6168 11.6168 13.5006 13.5006 14.5495 14.5495 15.6494 15.6494 16.6295 16.6295 17.5879 17.5879 k = 0.0833 0.4341 0.6705 ( 2184 PWs) bands (ev): 7.2092 7.2092 7.4432 7.4432 7.6481 7.6481 7.8451 7.8451 8.2809 8.2809 9.1263 9.1263 9.4629 9.4629 9.6213 9.6213 10.2291 10.2291 10.6106 10.6106 11.2513 11.2513 11.6054 11.6054 13.4293 13.4293 14.6022 14.6022 15.6609 15.6609 16.6758 16.6758 17.6605 17.6605 k = 0.0889 0.4244 0.6817 ( 2180 PWs) bands (ev): 7.2383 7.2383 7.4449 7.4449 7.6585 7.6585 7.8393 7.8393 8.2787 8.2787 9.1682 9.1682 9.4586 9.4586 9.6145 9.6145 10.2319 10.2319 10.6043 10.6043 11.2701 11.2701 11.5968 11.5968 13.3605 13.3605 14.6577 14.6577 15.6714 15.6714 16.7174 16.7174 17.7353 17.7353 k = 0.0944 0.4147 0.6929 ( 2180 PWs) bands (ev): 7.2673 7.2673 7.4457 7.4457 7.6695 7.6695 7.8324 7.8324 8.2808 8.2808 9.2097 9.2097 9.4550 9.4550 9.6094 9.6094 10.2335 10.2335 10.5986 10.5986 11.2844 11.2844 11.5923 11.5923 13.2942 13.2942 14.7159 14.7159 15.6805 15.6805 16.7547 16.7547 17.8107 17.8107 k = 0.1000 0.4050 0.7040 ( 2178 PWs) bands (ev): 7.2952 7.2952 7.4466 7.4466 7.6807 7.6807 7.8244 7.8244 8.2872 8.2872 9.2500 9.2500 9.4527 9.4527 9.6062 9.6062 10.2341 10.2341 10.5936 10.5936 11.2932 11.2932 11.5931 11.5931 13.2308 13.2308 14.7763 14.7763 15.6881 15.6881 16.7883 16.7883 17.8844 17.8844 k = 0.1056 0.3953 0.7152 ( 2178 PWs) bands (ev): 7.3207 7.3207 7.4489 7.4489 7.6919 7.6919 7.8153 7.8153 8.2982 8.2982 9.2873 9.2873 9.4531 9.4531 9.6054 9.6054 10.2337 10.2337 10.5891 10.5891 11.2957 11.2957 11.6000 11.6000 13.1701 13.1701 14.8386 14.8386 15.6940 15.6940 16.8186 16.8186 17.9530 17.9530 k = 0.1111 0.3856 0.7264 ( 2182 PWs) bands (ev): 7.3414 7.3414 7.4546 7.4546 7.7027 7.7027 7.8055 7.8055 8.3135 8.3135 9.3188 9.3188 9.4579 9.4579 9.6079 9.6079 10.2325 10.2325 10.5849 10.5849 11.2921 11.2921 11.6129 11.6129 13.1124 13.1124 14.9023 14.9023 15.6982 15.6982 16.8460 16.8460 18.0119 18.0119 k = 0.1167 0.3760 0.7376 ( 2180 PWs) bands (ev): 7.3549 7.3549 7.4661 7.4661 7.7121 7.7121 7.7961 7.7961 8.3328 8.3328 9.3415 9.3415 9.4689 9.4689 9.6152 9.6152 10.2306 10.2306 10.5812 10.5812 11.2832 11.2832 11.6312 11.6312 13.0576 13.0576 14.9666 14.9666 15.7008 15.7008 16.8709 16.8709 18.0555 18.0555 k = 0.1222 0.3663 0.7487 ( 2180 PWs) bands (ev): 7.3606 7.3606 7.4840 7.4840 7.7188 7.7188 7.7887 7.7887 8.3559 8.3559 9.3542 9.3542 9.4848 9.4848 9.6291 9.6291 10.2283 10.2283 10.5778 10.5778 11.2700 11.2700 11.6539 11.6539 13.0057 13.0057 15.0304 15.0304 15.7026 15.7026 16.8936 16.8936 18.0837 18.0837 k = 0.1278 0.3566 0.7599 ( 2178 PWs) bands (ev): 7.3602 7.3602 7.5064 7.5064 7.7205 7.7205 7.7859 7.7859 8.3821 8.3821 9.3595 9.3595 9.5011 9.5011 9.6518 9.6518 10.2257 10.2257 10.5748 10.5748 11.2535 11.2535 11.6799 11.6799 12.9564 12.9564 15.0921 15.0921 15.7046 15.7046 16.9144 16.9144 18.1019 18.1019 k = 0.1333 0.3469 0.7711 ( 2178 PWs) bands (ev): 7.3559 7.3559 7.5306 7.5306 7.7160 7.7160 7.7893 7.7893 8.4111 8.4111 9.3603 9.3603 9.5138 9.5138 9.6838 9.6838 10.2231 10.2231 10.5722 10.5722 11.2349 11.2349 11.7086 11.7086 12.9098 12.9098 15.1490 15.1490 15.7090 15.7090 16.9335 16.9335 18.1148 18.1148 k = 0.1389 0.3372 0.7823 ( 2178 PWs) bands (ev): 7.3493 7.3493 7.5547 7.5547 7.7073 7.7073 7.7976 7.7976 8.4423 8.4423 9.3590 9.3590 9.5222 9.5222 9.7233 9.7233 10.2205 10.2205 10.5702 10.5702 11.2148 11.2148 11.7392 11.7392 12.8655 12.8655 15.1974 15.1974 15.7190 15.7190 16.9511 16.9511 18.1244 18.1244 k = 0.1444 0.3275 0.7934 ( 2180 PWs) bands (ev): 7.3413 7.3413 7.5768 7.5768 7.6975 7.6975 7.8088 7.8088 8.4754 8.4754 9.3567 9.3567 9.5270 9.5270 9.7682 9.7682 10.2184 10.2184 10.5688 10.5688 11.1938 11.1938 11.7713 11.7713 12.8234 12.8234 15.2330 15.2330 15.7389 15.7389 16.9674 16.9674 18.1315 18.1315 k = 0.1500 0.3178 0.8046 ( 2176 PWs) bands (ev): 7.3326 7.3326 7.5946 7.5946 7.6898 7.6898 7.8214 7.8214 8.5099 8.5099 9.3541 9.3541 9.5290 9.5290 9.8163 9.8163 10.2170 10.2170 10.5681 10.5681 11.1724 11.1724 11.8046 11.8046 12.7832 12.7832 15.2517 15.2517 15.7722 15.7722 16.9825 16.9825 18.1364 18.1364 k = 0.1556 0.3081 0.8158 ( 2178 PWs) bands (ev): 7.3233 7.3233 7.6048 7.6048 7.6879 7.6879 7.8349 7.8349 8.5453 8.5453 9.3515 9.3515 9.5287 9.5287 9.8663 9.8663 10.2165 10.2165 10.5682 10.5682 11.1510 11.1510 11.8388 11.8388 12.7448 12.7448 15.2520 15.2520 15.8205 15.8205 16.9965 16.9965 18.1391 18.1391 k = 0.1611 0.2984 0.8270 ( 2180 PWs) bands (ev): 7.3139 7.3139 7.6052 7.6052 7.6942 7.6942 7.8488 7.8488 8.5815 8.5815 9.3493 9.3493 9.5264 9.5264 9.9173 9.9173 10.2172 10.2172 10.5692 10.5692 11.1299 11.1299 11.8737 11.8737 12.7080 12.7080 15.2352 15.2352 15.8824 15.8824 17.0096 17.0096 18.1393 18.1393 k = 0.1667 0.2887 0.8381 ( 2180 PWs) bands (ev): 7.3045 7.3045 7.5983 7.5983 7.7065 7.7065 7.8628 7.8628 8.6180 8.6180 9.3474 9.3474 9.5220 9.5220 9.9684 9.9684 10.2194 10.2194 10.5711 10.5711 11.1094 11.1094 11.9091 11.9091 12.6725 12.6725 15.2045 15.2045 15.9551 15.9551 17.0219 17.0219 18.1369 18.1369 k = 0.1722 0.2790 0.8493 ( 2176 PWs) bands (ev): 7.2952 7.2952 7.5877 7.5877 7.7212 7.7212 7.8766 7.8766 8.6546 8.6546 9.3459 9.3459 9.5158 9.5158 10.0190 10.0190 10.2234 10.2234 10.5738 10.5738 11.0899 11.0899 11.9449 11.9449 12.6382 12.6382 15.1628 15.1628 16.0355 16.0355 17.0334 17.0334 18.1315 18.1315 k = 0.1778 0.2693 0.8605 ( 2178 PWs) bands (ev): 7.2862 7.2862 7.5756 7.5756 7.7364 7.7364 7.8900 7.8900 8.6910 8.6910 9.3448 9.3448 9.5076 9.5076 10.0679 10.0679 10.2296 10.2296 10.5775 10.5775 11.0714 11.0714 11.9809 11.9809 12.6050 12.6050 15.1130 15.1130 16.1215 16.1215 17.0444 17.0444 18.1229 18.1229 k = 0.1833 0.2596 0.8717 ( 2174 PWs) bands (ev): 7.2776 7.2776 7.5633 7.5633 7.7510 7.7510 7.9029 7.9029 8.7271 8.7271 9.3439 9.3439 9.4976 9.4976 10.1139 10.1139 10.2391 10.2391 10.5819 10.5819 11.0543 11.0543 12.0169 12.0169 12.5728 12.5728 15.0571 15.0571 16.2112 16.2112 17.0549 17.0549 18.1107 18.1107 k = 0.1889 0.2499 0.8828 ( 2174 PWs) bands (ev): 7.2694 7.2694 7.5512 7.5512 7.7647 7.7647 7.9150 7.9150 8.7625 8.7625 9.3429 9.3429 9.4862 9.4862 10.1545 10.1545 10.2535 10.2535 10.5869 10.5869 11.0388 11.0388 12.0527 12.0527 12.5416 12.5416 14.9972 14.9972 16.3033 16.3033 17.0650 17.0650 18.0948 18.0948 k = 0.1944 0.2402 0.8940 ( 2176 PWs) bands (ev): 7.2617 7.2617 7.5396 7.5396 7.7774 7.7774 7.9262 7.9262 8.7971 8.7971 9.3417 9.3417 9.4737 9.4737 10.1862 10.1862 10.2756 10.2756 10.5922 10.5922 11.0251 11.0251 12.0881 12.0881 12.5116 12.5116 14.9349 14.9349 16.3964 16.3964 17.0750 17.0750 18.0750 18.0750 k = 0.2000 0.2305 0.9052 ( 2172 PWs) bands (ev): 7.2546 7.2546 7.5288 7.5288 7.7889 7.7889 7.9364 7.9364 8.8308 8.8308 9.3396 9.3396 9.4607 9.4607 10.2080 10.2080 10.3059 10.3059 10.5975 10.5975 11.0134 11.0134 12.1226 12.1226 12.4828 12.4828 14.8718 14.8718 16.4894 16.4894 17.0851 17.0851 18.0512 18.0512 k = 0.2056 0.2208 0.9164 ( 2170 PWs) bands (ev): 7.2482 7.2482 7.5189 7.5189 7.7993 7.7993 7.9455 7.9455 8.8633 8.8633 9.3362 9.3362 9.4481 9.4481 10.2226 10.2226 10.3411 10.3411 10.6025 10.6025 11.0037 11.0037 12.1559 12.1559 12.4556 12.4556 14.8095 14.8095 16.5810 16.5810 17.0956 17.0956 18.0234 18.0234 k = 0.2111 0.2111 0.9275 ( 2170 PWs) bands (ev): 7.2424 7.2424 7.5099 7.5099 7.8084 7.8084 7.9535 7.9535 8.8944 8.8944 9.3308 9.3308 9.4366 9.4366 10.2332 10.2332 10.3772 10.3772 10.6065 10.6065 10.9962 10.9962 12.1874 12.1874 12.4303 12.4303 14.7497 14.7497 16.6695 16.6695 17.1070 17.1070 17.9917 17.9917 k = 0.2167 0.2014 0.9387 ( 2168 PWs) bands (ev): 7.2373 7.2373 7.5021 7.5021 7.8165 7.8165 7.9605 7.9605 8.9239 8.9239 9.3230 9.3230 9.4272 9.4272 10.2415 10.2415 10.4121 10.4121 10.6091 10.6091 10.9908 10.9908 12.2166 12.2166 12.4072 12.4072 14.6937 14.6937 16.7527 16.7527 17.1203 17.1203 17.9564 17.9564 k = 0.2222 0.1917 0.9499 ( 2166 PWs) bands (ev): 7.2329 7.2329 7.4953 7.4953 7.8233 7.8233 7.9663 7.9663 8.9514 8.9514 9.3126 9.3126 9.4202 9.4202 10.2482 10.2482 10.4447 10.4447 10.6097 10.6097 10.9873 10.9873 12.2426 12.2426 12.3869 12.3869 14.6432 14.6432 16.8279 16.8279 17.1366 17.1366 17.9182 17.9182 k = 0.2278 0.1820 0.9611 ( 2166 PWs) bands (ev): 7.2293 7.2293 7.4898 7.4898 7.8289 7.8289 7.9710 7.9710 8.9763 8.9763 9.3006 9.3006 9.4155 9.4155 10.2536 10.2536 10.4743 10.4743 10.6081 10.6081 10.9854 10.9854 12.2646 12.2646 12.3701 12.3701 14.5995 14.5995 16.8913 16.8913 17.1574 17.1574 17.8785 17.8785 k = 0.2333 0.1723 0.9722 ( 2166 PWs) bands (ev): 7.2265 7.2265 7.4854 7.4854 7.8333 7.8333 7.9746 7.9746 8.9979 8.9979 9.2882 9.2882 9.4126 9.4126 10.2577 10.2577 10.5006 10.5006 10.6041 10.6041 10.9848 10.9848 12.2816 12.2816 12.3575 12.3575 14.5639 14.5639 16.9396 16.9396 17.1831 17.1831 17.8396 17.8396 k = 0.2389 0.1626 0.9834 ( 2166 PWs) bands (ev): 7.2244 7.2244 7.4823 7.4823 7.8364 7.8364 7.9771 7.9771 9.0150 9.0150 9.2772 9.2772 9.4109 9.4109 10.2606 10.2606 10.5230 10.5230 10.5978 10.5978 10.9848 10.9848 12.2928 12.2928 12.3496 12.3496 14.5376 14.5376 16.9716 16.9716 17.2106 17.2106 17.8054 17.8054 k = 0.2444 0.1529 0.9946 ( 2166 PWs) bands (ev): 7.2232 7.2232 7.4804 7.4804 7.8383 7.8383 7.9787 7.9787 9.0261 9.0261 9.2695 9.2695 9.4101 9.4101 10.2624 10.2624 10.5400 10.5400 10.5905 10.5905 10.9850 10.9850 12.2984 12.2984 12.3461 12.3461 14.5214 14.5214 16.9891 16.9891 17.2326 17.2326 17.7812 17.7812 k = 0.2500 0.1432 1.0058 ( 2168 PWs) bands (ev): 7.2228 7.2228 7.4797 7.4797 7.8389 7.8389 7.9792 7.9792 9.0300 9.0300 9.2667 9.2667 9.4099 9.4099 10.2630 10.2630 10.5473 10.5473 10.5864 10.5864 10.9851 10.9851 12.2999 12.2999 12.3454 12.3454 14.5160 14.5160 16.9946 16.9946 17.2411 17.2411 17.7724 17.7724 k = 0.2500 0.1432 1.0058 ( 2168 PWs) bands (ev): 7.2228 7.2228 7.4797 7.4797 7.8389 7.8389 7.9792 7.9792 9.0300 9.0300 9.2667 9.2667 9.4099 9.4099 10.2630 10.2630 10.5473 10.5473 10.5864 10.5864 10.9851 10.9851 12.2999 12.2999 12.3454 12.3454 14.5160 14.5160 16.9946 16.9946 17.2411 17.2411 17.7724 17.7724 k = 0.2619 0.1501 0.9979 ( 2162 PWs) bands (ev): 7.2168 7.2168 7.4866 7.4866 7.8383 7.8383 7.9800 7.9800 9.0289 9.0289 9.2667 9.2667 9.4096 9.4096 10.2634 10.2634 10.5447 10.5447 10.5882 10.5882 10.9846 10.9846 12.2789 12.2789 12.3682 12.3682 14.5192 14.5192 16.9532 16.9532 17.2796 17.2796 17.7740 17.7740 k = 0.2738 0.1569 0.9900 ( 2170 PWs) bands (ev): 7.2006 7.2006 7.5052 7.5052 7.8364 7.8364 7.9822 7.9822 9.0257 9.0257 9.2666 9.2666 9.4089 9.4089 10.2647 10.2647 10.5379 10.5379 10.5926 10.5926 10.9829 10.9829 12.2444 12.2444 12.4084 12.4084 14.5290 14.5290 16.8663 16.8663 17.3581 17.3581 17.7770 17.7770 k = 0.2857 0.1637 0.9822 ( 2170 PWs) bands (ev): 7.1780 7.1780 7.5320 7.5320 7.8337 7.8337 7.9856 7.9856 9.0206 9.0206 9.2662 9.2662 9.4077 9.4077 10.2669 10.2669 10.5284 10.5284 10.5981 10.5981 10.9802 10.9802 12.2079 12.2079 12.4542 12.4542 14.5453 14.5453 16.7668 16.7668 17.4421 17.4421 17.7507 17.7507 k = 0.2976 0.1705 0.9743 ( 2174 PWs) bands (ev): 7.1521 7.1521 7.5637 7.5637 7.8303 7.8303 7.9900 7.9900 9.0139 9.0139 9.2651 9.2651 9.4059 9.4059 10.2699 10.2699 10.5170 10.5170 10.6037 10.6037 10.9764 10.9764 12.1709 12.1709 12.5040 12.5040 14.5680 14.5680 16.6642 16.6642 17.5014 17.5014 17.6539 17.6539 k = 0.3095 0.1773 0.9665 ( 2174 PWs) bands (ev): 7.1249 7.1249 7.5982 7.5982 7.8266 7.8266 7.9951 7.9951 9.0058 9.0058 9.2633 9.2633 9.4037 9.4037 10.2737 10.2737 10.5041 10.5041 10.6092 10.6092 10.9715 10.9715 12.1338 12.1338 12.5572 12.5572 14.5969 14.5969 16.5619 16.5619 17.4454 17.4454 17.6645 17.6645 k = 0.3214 0.1842 0.9586 ( 2176 PWs) bands (ev): 7.0979 7.0979 7.6338 7.6338 7.8229 7.8229 8.0007 8.0007 8.9968 8.9968 9.2604 9.2604 9.4011 9.4011 10.2782 10.2782 10.4901 10.4901 10.6141 10.6141 10.9657 10.9657 12.0967 12.0967 12.6132 12.6132 14.6319 14.6319 16.4616 16.4616 17.3285 17.3285 17.7274 17.7274 k = 0.3333 0.1910 0.9507 ( 2182 PWs) bands (ev): 7.0718 7.0718 7.6696 7.6696 7.8196 7.8196 8.0066 8.0066 8.9869 8.9869 9.2564 9.2564 9.3982 9.3982 10.2833 10.2833 10.4751 10.4751 10.6185 10.6185 10.9591 10.9591 12.0598 12.0598 12.6716 12.6716 14.6725 14.6725 16.3642 16.3642 17.2062 17.2062 17.7692 17.7692 k = 0.3452 0.1978 0.9429 ( 2184 PWs) bands (ev): 7.0472 7.0472 7.7043 7.7043 7.8171 7.8171 8.0127 8.0127 8.9764 8.9764 9.2513 9.2513 9.3950 9.3950 10.2889 10.2889 10.4594 10.4594 10.6222 10.6222 10.9518 10.9518 12.0232 12.0232 12.7319 12.7319 14.7182 14.7182 16.2705 16.2705 17.0865 17.0865 17.7825 17.7825 k = 0.3571 0.2046 0.9350 ( 2186 PWs) bands (ev): 7.0245 7.0245 7.7363 7.7363 7.8166 7.8166 8.0189 8.0189 8.9654 8.9654 9.2449 9.2449 9.3915 9.3915 10.2947 10.2947 10.4431 10.4431 10.6252 10.6252 10.9438 10.9438 11.9869 11.9869 12.7937 12.7937 14.7686 14.7686 16.1809 16.1809 16.9717 16.9717 17.7867 17.7867 k = 0.3690 0.2114 0.9272 ( 2184 PWs) bands (ev): 7.0039 7.0039 7.7624 7.7624 7.8210 7.8210 8.0251 8.0251 8.9540 8.9540 9.2375 9.2375 9.3879 9.3879 10.3004 10.3004 10.4267 10.4267 10.6275 10.6275 10.9354 10.9354 11.9511 11.9511 12.8563 12.8563 14.8229 14.8229 16.0962 16.0962 16.8634 16.8634 17.7878 17.7878 k = 0.3810 0.2183 0.9193 ( 2188 PWs) bands (ev): 6.9856 6.9856 7.7774 7.7774 7.8348 7.8348 8.0311 8.0311 8.9423 8.9423 9.2293 9.2293 9.3842 9.3842 10.3053 10.3053 10.4107 10.4107 10.6291 10.6291 10.9265 10.9265 11.9157 11.9157 12.9192 12.9192 14.8801 14.8801 16.0168 16.0168 16.7629 16.7629 17.7873 17.7873 k = 0.3929 0.2251 0.9114 ( 2188 PWs) bands (ev): 6.9698 6.9698 7.7824 7.7824 7.8567 7.8567 8.0370 8.0370 8.9304 8.9304 9.2204 9.2204 9.3805 9.3805 10.3082 10.3082 10.3965 10.3965 10.6299 10.6299 10.9175 10.9175 11.8810 11.8810 12.9817 12.9817 14.9391 14.9391 15.9432 15.9432 16.6716 16.6716 17.7856 17.7856 k = 0.4048 0.2319 0.9036 ( 2190 PWs) bands (ev): 6.9567 6.9567 7.7832 7.7832 7.8804 7.8804 8.0427 8.0427 8.9183 8.9183 9.2111 9.2111 9.3768 9.3768 10.3070 10.3070 10.3859 10.3859 10.6300 10.6300 10.9083 10.9083 11.8469 11.8469 13.0433 13.0433 14.9984 14.9984 15.8760 15.8760 16.5912 16.5912 17.7831 17.7831 k = 0.4167 0.2387 0.8957 ( 2196 PWs) bands (ev): 6.9462 6.9462 7.7825 7.7825 7.9027 7.9027 8.0481 8.0481 8.9061 8.9061 9.2017 9.2017 9.3733 9.3733 10.2997 10.2997 10.3807 10.3807 10.6293 10.6293 10.8992 10.8992 11.8136 11.8136 13.1031 13.1031 15.0565 15.0565 15.8157 15.8157 16.5234 16.5234 17.7798 17.7798 k = 0.4286 0.2456 0.8878 ( 2190 PWs) bands (ev): 6.9385 6.9385 7.7814 7.7814 7.9223 7.9223 8.0531 8.0531 8.8939 8.8939 9.1926 9.1926 9.3699 9.3699 10.2864 10.2864 10.3808 10.3808 10.6278 10.6278 10.8904 10.8904 11.7813 11.7813 13.1605 13.1605 15.1112 15.1112 15.7628 15.7628 16.4703 16.4703 17.7758 17.7758 k = 0.4405 0.2524 0.8800 ( 2190 PWs) bands (ev): 6.9336 6.9336 7.7803 7.7803 7.9384 7.9384 8.0575 8.0575 8.8817 8.8817 9.1839 9.1839 9.3668 9.3668 10.2688 10.2688 10.3842 10.3842 10.6256 10.6256 10.8819 10.8819 11.7500 11.7500 13.2147 13.2147 15.1605 15.1605 15.7178 15.7178 16.4340 16.4340 17.7714 17.7714 k = 0.4524 0.2592 0.8721 ( 2188 PWs) bands (ev): 6.9316 6.9316 7.7794 7.7794 7.9507 7.9507 8.0611 8.0611 8.8696 8.8696 9.1759 9.1759 9.3642 9.3642 10.2485 10.2485 10.3890 10.3890 10.6227 10.6227 10.8742 10.8742 11.7200 11.7200 13.2650 13.2650 15.2022 15.2022 15.6814 15.6814 16.4166 16.4166 17.7667 17.7667 k = 0.4643 0.2660 0.8643 ( 2186 PWs) bands (ev): 6.9324 6.9324 7.7788 7.7788 7.9593 7.9593 8.0634 8.0634 8.8576 8.8576 9.1688 9.1688 9.3620 9.3620 10.2265 10.2265 10.3938 10.3938 10.6191 10.6191 10.8674 10.8674 11.6913 11.6913 13.3107 13.3107 15.2348 15.2348 15.6540 15.6540 16.4192 16.4192 17.7616 17.7616 k = 0.4762 0.2728 0.8564 ( 2184 PWs) bands (ev): 6.9360 6.9360 7.7783 7.7783 7.9640 7.9640 8.0642 8.0642 8.8457 8.8457 9.1627 9.1627 9.3603 9.3603 10.2035 10.2035 10.3978 10.3978 10.6151 10.6151 10.8618 10.8618 11.6641 11.6641 13.3513 13.3513 15.2578 15.2578 15.6360 15.6360 16.4423 16.4423 17.7561 17.7561 k = 0.4881 0.2797 0.8485 ( 2184 PWs) bands (ev): 6.9425 6.9425 7.7782 7.7782 7.9650 7.9650 8.0632 8.0632 8.8341 8.8341 9.1578 9.1578 9.3592 9.3592 10.1796 10.1796 10.4002 10.4002 10.6107 10.6107 10.8578 10.8578 11.6386 11.6386 13.3863 13.3863 15.2715 15.2715 15.6278 15.6278 16.4847 16.4847 17.7498 17.7498 k = 0.5000 0.2865 0.8407 ( 2184 PWs) bands (ev): 6.9517 6.9517 7.7783 7.7783 7.9625 7.9625 8.0601 8.0601 8.8225 8.8225 9.1540 9.1540 9.3587 9.3587 10.1551 10.1551 10.4003 10.4003 10.6062 10.6062 10.8556 10.8556 11.6149 11.6149 13.4155 13.4155 15.2778 15.2778 15.6293 15.6293 16.5443 16.5443 17.7416 17.7416 k = 0.5000 0.2865 0.8407 ( 2184 PWs) bands (ev): 6.9517 6.9517 7.7783 7.7783 7.9625 7.9625 8.0601 8.0601 8.8225 8.8225 9.1540 9.1540 9.3587 9.3587 10.1551 10.1551 10.4003 10.4003 10.6062 10.6062 10.8556 10.8556 11.6149 11.6149 13.4155 13.4155 15.2778 15.2778 15.6293 15.6293 16.5443 16.5443 17.7416 17.7416 k = 0.5000 0.2865 0.8248 ( 2180 PWs) bands (ev): 6.9737 6.9737 7.7787 7.7787 7.9533 7.9533 8.0513 8.0513 8.7991 8.7991 9.1462 9.1462 9.3582 9.3582 10.1047 10.1047 10.3978 10.3978 10.5972 10.5972 10.8531 10.8531 11.5702 11.5702 13.4698 13.4698 15.2845 15.2845 15.6425 15.6425 16.6811 16.6811 17.7040 17.7041 k = 0.5000 0.2865 0.8090 ( 2178 PWs) bands (ev): 6.9967 6.9967 7.7790 7.7790 7.9432 7.9432 8.0414 8.0414 8.7752 8.7752 9.1359 9.1359 9.3573 9.3573 10.0537 10.0537 10.3948 10.3948 10.5889 10.5889 10.8502 10.8502 11.5285 11.5285 13.5261 13.5261 15.2913 15.2913 15.6568 15.6568 16.8174 16.8174 17.6140 17.6140 k = 0.5000 0.2865 0.7931 ( 2182 PWs) bands (ev): 7.0204 7.0204 7.7791 7.7791 7.9321 7.9321 8.0306 8.0306 8.7506 8.7506 9.1230 9.1230 9.3560 9.3560 10.0026 10.0026 10.3916 10.3916 10.5816 10.5816 10.8470 10.8470 11.4901 11.4901 13.5840 13.5840 15.2981 15.2981 15.6722 15.6722 16.9504 16.9504 17.4929 17.4929 k = 0.5000 0.2865 0.7772 ( 2186 PWs) bands (ev): 7.0445 7.0445 7.7788 7.7788 7.9201 7.9201 8.0189 8.0189 8.7253 8.7253 9.1076 9.1076 9.3543 9.3543 9.9521 9.9521 10.3885 10.3885 10.5755 10.5755 10.8436 10.8436 11.4554 11.4554 13.6430 13.6430 15.3047 15.3047 15.6887 15.6887 17.0769 17.0769 17.3637 17.3637 k = 0.5000 0.2865 0.7614 ( 2186 PWs) bands (ev): 7.0688 7.0688 7.7779 7.7779 7.9074 7.9074 8.0063 8.0063 8.6991 8.6991 9.0895 9.0895 9.3525 9.3525 9.9026 9.9026 10.3860 10.3860 10.5705 10.5705 10.8399 10.8399 11.4245 11.4245 13.7029 13.7029 15.3107 15.3107 15.7062 15.7062 17.1911 17.1911 17.2354 17.2354 k = 0.5000 0.2865 0.7455 ( 2190 PWs) bands (ev): 7.0929 7.0929 7.7763 7.7763 7.8942 7.8942 7.9928 7.9928 8.6718 8.6718 9.0689 9.0689 9.3507 9.3507 9.8548 9.8548 10.3846 10.3846 10.5668 10.5668 10.8361 10.8361 11.3972 11.3972 13.7630 13.7630 15.3158 15.3158 15.7246 15.7246 17.1019 17.1019 17.2979 17.2979 k = 0.5000 0.2865 0.7296 ( 2190 PWs) bands (ev): 7.1165 7.1165 7.7734 7.7734 7.8809 7.8809 7.9785 7.9785 8.6433 8.6433 9.0460 9.0460 9.3492 9.3492 9.8091 9.8091 10.3847 10.3847 10.5642 10.5642 10.8321 10.8321 11.3736 11.3736 13.8231 13.8231 15.3196 15.3196 15.7438 15.7438 16.9751 16.9751 17.3834 17.3834 k = 0.5000 0.2865 0.7138 ( 2188 PWs) bands (ev): 7.1392 7.1392 7.7686 7.7686 7.8679 7.8679 7.9634 7.9634 8.6135 8.6135 9.0210 9.0210 9.3484 9.3484 9.7657 9.7657 10.3866 10.3866 10.5626 10.5626 10.8281 10.8281 11.3533 11.3533 13.8828 13.8828 15.3214 15.3214 15.7639 15.7639 16.8519 16.8519 17.4488 17.4488 k = 0.5000 0.2865 0.6979 ( 2184 PWs) bands (ev): 7.1607 7.1607 7.7614 7.7614 7.8559 7.8559 7.9478 7.9478 8.5822 8.5822 8.9941 8.9941 9.3484 9.3484 9.7250 9.7250 10.3906 10.3906 10.5621 10.5621 10.8241 10.8241 11.3361 11.3361 13.9418 13.9418 15.3206 15.3206 15.7847 15.7847 16.7340 16.7340 17.4921 17.4921 k = 0.5000 0.2865 0.6821 ( 2184 PWs) bands (ev): 7.1808 7.1808 7.7513 7.7513 7.8448 7.8448 7.9320 7.9320 8.5495 8.5495 8.9658 8.9658 9.3495 9.3495 9.6872 9.6872 10.3968 10.3968 10.5627 10.5627 10.8201 10.8201 11.3217 11.3217 13.9997 13.9997 15.3164 15.3164 15.8063 15.8063 16.6226 16.6226 17.5135 17.5135 k = 0.5000 0.2865 0.6662 ( 2180 PWs) bands (ev): 7.1990 7.1990 7.7381 7.7381 7.8344 7.8344 7.9166 7.9166 8.5153 8.5153 8.9365 8.9365 9.3517 9.3517 9.6524 9.6524 10.4050 10.4050 10.5645 10.5645 10.8161 10.8161 11.3098 11.3098 14.0561 14.0561 15.3079 15.3079 15.8284 15.8284 16.5192 16.5192 17.5151 17.5151 k = 0.5000 0.2865 0.6503 ( 2180 PWs) bands (ev): 7.2151 7.2151 7.7222 7.7222 7.8230 7.8230 7.9028 7.9028 8.4799 8.4799 8.9067 8.9067 9.3551 9.3551 9.6205 9.6205 10.4152 10.4152 10.5675 10.5675 10.8122 10.8122 11.3002 11.3002 14.1109 14.1109 15.2939 15.2939 15.8510 15.8510 16.4254 16.4254 17.4997 17.4997 k = 0.5000 0.2865 0.6345 ( 2182 PWs) bands (ev): 7.2288 7.2288 7.7043 7.7043 7.8090 7.8090 7.8919 7.8919 8.4433 8.4433 8.8770 8.8770 9.3597 9.3597 9.5916 9.5916 10.4270 10.4270 10.5719 10.5719 10.8082 10.8082 11.2926 11.2926 14.1636 14.1636 15.2735 15.2735 15.8741 15.8741 16.3426 16.3426 17.4697 17.4697 k = 0.5000 0.2865 0.6186 ( 2182 PWs) bands (ev): 7.2399 7.2399 7.6849 7.6849 7.7910 7.7910 7.8847 7.8847 8.4056 8.4056 8.8480 8.8480 9.3652 9.3652 9.5655 9.5655 10.4402 10.4402 10.5779 10.5779 10.8041 10.8041 11.2867 11.2867 14.2140 14.2140 15.2460 15.2460 15.8975 15.8975 16.2720 16.2720 17.4275 17.4275 k = 0.5000 0.2865 0.6028 ( 2184 PWs) bands (ev): 7.2483 7.2483 7.6646 7.6646 7.7689 7.7689 7.8812 7.8812 8.3670 8.3670 8.8201 8.8201 9.3716 9.3716 9.5421 9.5421 10.4543 10.4543 10.5858 10.5858 10.7999 10.7999 11.2824 11.2824 14.2619 14.2619 15.2114 15.2114 15.9213 15.9213 16.2144 16.2144 17.3750 17.3750 k = 0.5000 0.2865 0.5869 ( 2184 PWs) bands (ev): 7.2537 7.2537 7.6438 7.6438 7.7436 7.7436 7.8804 7.8804 8.3275 8.3275 8.7938 8.7938 9.3785 9.3785 9.5212 9.5212 10.4689 10.4689 10.5957 10.5957 10.7954 10.7954 11.2794 11.2794 14.3068 14.3068 15.1700 15.1700 15.9452 15.9452 16.1696 16.1696 17.3145 17.3145 k = 0.5000 0.2865 0.5710 ( 2184 PWs) bands (ev): 7.2560 7.2560 7.6226 7.6226 7.7160 7.7160 7.8816 7.8816 8.2871 8.2871 8.7695 8.7695 9.3857 9.3857 9.5026 9.5026 10.4836 10.4836 10.6077 10.6077 10.7904 10.7904 11.2774 11.2774 14.3487 14.3487 15.1234 15.1234 15.9692 15.9692 16.1371 16.1371 17.2479 17.2479 k = 0.5000 0.2865 0.5552 ( 2184 PWs) bands (ev): 7.2552 7.2552 7.6013 7.6013 7.6871 7.6871 7.8842 7.8842 8.2460 8.2460 8.7476 8.7476 9.3930 9.3930 9.4859 9.4859 10.4980 10.4980 10.6218 10.6218 10.7850 10.7850 11.2763 11.2763 14.3873 14.3873 15.0734 15.0734 15.9932 15.9932 16.1155 16.1155 17.1770 17.1770 k = 0.5000 0.2865 0.5393 ( 2182 PWs) bands (ev): 7.2513 7.2513 7.5799 7.5799 7.6577 7.6577 7.8877 7.8877 8.2042 8.2042 8.7282 8.7282 9.4001 9.4001 9.4711 9.4711 10.5119 10.5119 10.6380 10.6380 10.7789 10.7789 11.2758 11.2758 14.4223 14.4223 15.0222 15.0222 16.0172 16.0172 16.1033 16.1033 17.1037 17.1037 k = 0.5000 0.2865 0.5234 ( 2190 PWs) bands (ev): 7.2442 7.2442 7.5581 7.5581 7.6288 7.6288 7.8921 7.8921 8.1618 8.1618 8.7115 8.7115 9.4066 9.4066 9.4578 9.4578 10.5248 10.5248 10.6559 10.6559 10.7720 10.7720 11.2758 11.2758 14.4535 14.4535 14.9723 14.9723 16.0409 16.0409 16.0989 16.0989 17.0293 17.0293 k = 0.5000 0.2865 0.5076 ( 2190 PWs) bands (ev): 7.2339 7.2339 7.5357 7.5357 7.6014 7.6014 7.8970 7.8970 8.1190 8.1190 8.6975 8.6975 9.4122 9.4122 9.4462 9.4462 10.5367 10.5367 10.6753 10.6753 10.7643 10.7643 11.2758 11.2758 14.4808 14.4808 14.9258 14.9258 16.0643 16.0643 16.1010 16.1010 16.9552 16.9552 k = 0.5000 0.2865 0.4917 ( 2190 PWs) bands (ev): 7.2205 7.2205 7.5123 7.5123 7.5765 7.5765 7.9021 7.9021 8.0761 8.0761 8.6860 8.6860 9.4152 9.4152 9.4376 9.4376 10.5474 10.5474 10.6957 10.6957 10.7555 10.7555 11.2757 11.2757 14.5039 14.5039 14.8848 14.8848 16.0870 16.0870 16.1084 16.1084 16.8824 16.8824 k = 0.5000 0.2865 0.4759 ( 2188 PWs) bands (ev): 7.2042 7.2042 7.4877 7.4877 7.5548 7.5548 7.9070 7.9070 8.0337 8.0337 8.6770 8.6770 9.4119 9.4119 9.4354 9.4354 10.5566 10.5566 10.7163 10.7163 10.7459 10.7459 11.2752 11.2752 14.5228 14.5228 14.8511 14.8511 16.1082 16.1082 16.1208 16.1208 16.8120 16.8120 k = 0.5000 0.2865 0.4600 ( 2184 PWs) bands (ev): 7.1852 7.1852 7.4624 7.4624 7.5363 7.5363 7.9103 7.9103 7.9934 7.9934 8.6701 8.6701 9.4029 9.4029 9.4389 9.4389 10.5641 10.5641 10.7286 10.7286 10.7435 10.7435 11.2739 11.2739 14.5375 14.5375 14.8260 14.8260 16.1269 16.1269 16.1384 16.1384 16.7449 16.7449 k = 0.5000 0.2865 0.4441 ( 2176 PWs) bands (ev): 7.1637 7.1637 7.4368 7.4368 7.5209 7.5209 7.9059 7.9059 7.9613 7.9613 8.6651 8.6651 9.3917 9.3917 9.4443 9.4443 10.5698 10.5698 10.7181 10.7181 10.7621 10.7621 11.2716 11.2716 14.5484 14.5484 14.8105 14.8105 16.1445 16.1445 16.1589 16.1589 16.6817 16.6817 k = 0.5000 0.2865 0.4283 ( 2178 PWs) bands (ev): 7.1402 7.1402 7.4114 7.4114 7.5080 7.5080 7.8816 7.8816 7.9498 7.9498 8.6618 8.6618 9.3794 9.3794 9.4506 9.4506 10.5735 10.5735 10.7034 10.7034 10.7828 10.7828 11.2681 11.2681 14.5562 14.5562 14.8051 14.8051 16.1627 16.1627 16.1800 16.1800 16.6233 16.6233 k = 0.5000 0.2865 0.4124 ( 2184 PWs) bands (ev): 7.1151 7.1151 7.3866 7.3866 7.4976 7.4976 7.8445 7.8445 7.9523 7.9523 8.6599 8.6599 9.3663 9.3663 9.4576 9.4576 10.5749 10.5749 10.6864 10.6864 10.8027 10.8027 11.2633 11.2633 14.5616 14.5616 14.8097 14.8097 16.1813 16.1813 16.2007 16.2007 16.5703 16.5703 k = 0.5000 0.2865 0.3965 ( 2184 PWs) bands (ev): 7.0888 7.0888 7.3624 7.3624 7.4893 7.4893 7.8045 7.8045 7.9590 7.9590 8.6590 8.6590 9.3523 9.3523 9.4653 9.4653 10.5740 10.5740 10.6676 10.6676 10.8214 10.8214 11.2571 11.2571 14.5652 14.5652 14.8245 14.8245 16.2000 16.2000 16.2210 16.2210 16.5235 16.5235 k = 0.5000 0.2865 0.3807 ( 2188 PWs) bands (ev): 7.0617 7.0617 7.3389 7.3389 7.4829 7.4829 7.7644 7.7644 7.9673 7.9673 8.6588 8.6588 9.3376 9.3376 9.4738 9.4738 10.5703 10.5703 10.6469 10.6469 10.8382 10.8382 11.2496 11.2496 14.5674 14.5674 14.8497 14.8497 16.2178 16.2178 16.2407 16.2407 16.4837 16.4837 k = 0.5000 0.2865 0.3648 ( 2190 PWs) bands (ev): 7.0344 7.0344 7.3162 7.3162 7.4782 7.4782 7.7253 7.7253 7.9765 7.9765 8.6591 8.6591 9.3223 9.3223 9.4831 9.4831 10.5634 10.5634 10.6251 10.6251 10.8525 10.8525 11.2413 11.2413 14.5678 14.5678 14.8857 14.8857 16.2334 16.2334 16.2597 16.2597 16.4523 16.4523 k = 0.5000 0.2865 0.3490 ( 2190 PWs) bands (ev): 7.0071 7.0071 7.2941 7.2941 7.4748 7.4748 7.6880 7.6880 7.9862 7.9862 8.6593 8.6593 9.3066 9.3066 9.4933 9.4933 10.5520 10.5520 10.6034 10.6034 10.8639 10.8639 11.2326 11.2326 14.5663 14.5663 14.9327 14.9327 16.2452 16.2452 16.2781 16.2781 16.4307 16.4307 k = 0.5000 0.2865 0.3331 ( 2190 PWs) bands (ev): 6.9801 6.9801 7.2726 7.2726 7.4720 7.4720 7.6533 7.6533 7.9965 7.9965 8.6591 8.6591 9.2908 9.2908 9.5043 9.5043 10.5343 10.5343 10.5836 10.5836 10.8718 10.8718 11.2242 11.2242 14.5626 14.5626 14.9909 14.9909 16.2516 16.2516 16.2958 16.2958 16.4202 16.4202 k = 0.5000 0.2865 0.3172 ( 2190 PWs) bands (ev): 6.9538 6.9538 7.2517 7.2517 7.4687 7.4687 7.6227 7.6227 8.0072 8.0072 8.6580 8.6580 9.2753 9.2753 9.5162 9.5162 10.5097 10.5097 10.5665 10.5665 10.8755 10.8755 11.2168 11.2168 14.5569 14.5569 15.0599 15.0599 16.2525 16.2525 16.3130 16.3130 16.4208 16.4208 k = 0.5000 0.2865 0.3014 ( 2194 PWs) bands (ev): 6.9283 6.9283 7.2315 7.2315 7.4631 7.4631 7.5980 7.5980 8.0182 8.0182 8.6556 8.6556 9.2605 9.2605 9.5289 9.5289 10.4796 10.4796 10.5510 10.5510 10.8747 10.8747 11.2111 11.2111 14.5492 14.5492 15.1390 15.1390 16.2497 16.2497 16.3296 16.3296 16.4301 16.4301 k = 0.5000 0.2865 0.2855 ( 2206 PWs) bands (ev): 6.9039 6.9039 7.2118 7.2118 7.4525 7.4525 7.5820 7.5820 8.0294 8.0294 8.6514 8.6514 9.2468 9.2468 9.5424 9.5424 10.4457 10.4457 10.5355 10.5355 10.8694 10.8694 11.2076 11.2076 14.5397 14.5397 15.2274 15.2274 16.2459 16.2459 16.3458 16.3458 16.4453 16.4453 k = 0.5000 0.2865 0.2697 ( 2198 PWs) bands (ev): 6.8805 6.8805 7.1929 7.1929 7.4360 7.4360 7.5758 7.5758 8.0408 8.0408 8.6447 8.6447 9.2348 9.2348 9.5567 9.5567 10.4093 10.4093 10.5193 10.5193 10.8597 10.8597 11.2064 11.2064 14.5289 14.5289 15.3241 15.3241 16.2431 16.2431 16.3615 16.3615 16.4639 16.4639 k = 0.5000 0.2865 0.2538 ( 2194 PWs) bands (ev): 6.8584 6.8584 7.1746 7.1746 7.4147 7.4147 7.5784 7.5784 8.0524 8.0524 8.6353 8.6353 9.2250 9.2250 9.5717 9.5717 10.3708 10.3708 10.5021 10.5021 10.8463 10.8463 11.2075 11.2075 14.5169 14.5169 15.4280 15.4280 16.2422 16.2422 16.3768 16.3768 16.4846 16.4846 k = 0.5000 0.2865 0.2379 ( 2198 PWs) bands (ev): 6.8375 6.8375 7.1571 7.1571 7.3908 7.3908 7.5875 7.5875 8.0640 8.0640 8.6225 8.6225 9.2178 9.2178 9.5873 9.5873 10.3310 10.3310 10.4835 10.4835 10.8299 10.8299 11.2105 11.2105 14.5040 14.5040 15.5378 15.5378 16.2437 16.2437 16.3918 16.3918 16.5067 16.5067 k = 0.5000 0.2865 0.2221 ( 2200 PWs) bands (ev): 6.8180 6.8180 7.1403 7.1403 7.3661 7.3661 7.6014 7.6014 8.0755 8.0755 8.6062 8.6062 9.2136 9.2136 9.6035 9.6035 10.2901 10.2901 10.4637 10.4637 10.8115 10.8115 11.2149 11.2149 14.4906 14.4906 15.6521 15.6521 16.2476 16.2476 16.4066 16.4066 16.5297 16.5297 k = 0.5000 0.2865 0.2062 ( 2200 PWs) bands (ev): 6.7999 6.7999 7.1244 7.1244 7.3416 7.3416 7.6190 7.6190 8.0869 8.0869 8.5861 8.5861 9.2125 9.2125 9.6201 9.6201 10.2487 10.2487 10.4426 10.4426 10.7919 10.7919 11.2204 11.2204 14.4769 14.4769 15.7690 15.7690 16.2540 16.2540 16.4212 16.4212 16.5536 16.5536 k = 0.5000 0.2865 0.1903 ( 2200 PWs) bands (ev): 6.7832 6.7832 7.1094 7.1094 7.3181 7.3181 7.6398 7.6398 8.0980 8.0980 8.5624 8.5624 9.2147 9.2147 9.6372 9.6372 10.2070 10.2070 10.4204 10.4204 10.7720 10.7720 11.2265 11.2265 14.4631 14.4631 15.8863 15.8863 16.2630 16.2630 16.4359 16.4359 16.5789 16.5789 k = 0.5000 0.2865 0.1745 ( 2196 PWs) bands (ev): 6.7678 6.7678 7.0953 7.0953 7.2959 7.2959 7.6632 7.6632 8.1088 8.1088 8.5351 8.5351 9.2200 9.2200 9.6544 9.6544 10.1654 10.1654 10.3973 10.3973 10.7524 10.7524 11.2330 11.2330 14.4496 14.4496 16.0005 16.0005 16.2752 16.2752 16.4507 16.4507 16.6065 16.6065 k = 0.5000 0.2865 0.1586 ( 2194 PWs) bands (ev): 6.7539 6.7539 7.0822 7.0822 7.2752 7.2752 7.6890 7.6890 8.1192 8.1192 8.5046 8.5046 9.2281 9.2281 9.6718 9.6718 10.1244 10.1244 10.3736 10.3736 10.7335 10.7335 11.2394 11.2394 14.4364 14.4364 16.1054 16.1054 16.2931 16.2931 16.4659 16.4659 16.6381 16.6381 k = 0.5000 0.2865 0.1428 ( 2198 PWs) bands (ev): 6.7414 6.7414 7.0702 7.0702 7.2562 7.2562 7.7170 7.7170 8.1289 8.1289 8.4714 8.4714 9.2387 9.2387 9.6890 9.6890 10.0843 10.0843 10.3495 10.3495 10.7159 10.7159 11.2457 11.2457 14.4239 14.4239 16.1886 16.1886 16.3236 16.3236 16.4818 16.4818 16.6768 16.6768 k = 0.5000 0.2865 0.1269 ( 2198 PWs) bands (ev): 6.7303 6.7303 7.0593 7.0593 7.2391 7.2391 7.7468 7.7468 8.1380 8.1380 8.4358 8.4358 9.2514 9.2514 9.7059 9.7059 10.0456 10.0456 10.3256 10.3256 10.6997 10.6997 11.2516 11.2516 14.4122 14.4122 16.2376 16.2376 16.3724 16.3724 16.4989 16.4989 16.7271 16.7271 k = 0.5000 0.2865 0.1110 ( 2194 PWs) bands (ev): 6.7205 6.7205 7.0496 7.0496 7.2238 7.2238 7.7783 7.7783 8.1464 8.1464 8.3985 8.3985 9.2656 9.2656 9.7222 9.7222 10.0088 10.0088 10.3023 10.3023 10.6853 10.6853 11.2570 11.2570 14.4015 14.4015 16.2620 16.2620 16.4232 16.4232 16.5181 16.5181 16.7927 16.7927 k = 0.5000 0.2865 0.0952 ( 2194 PWs) bands (ev): 6.7121 6.7121 7.0410 7.0410 7.2104 7.2104 7.8110 7.8110 8.1538 8.1538 8.3601 8.3601 9.2807 9.2807 9.7374 9.7374 9.9747 9.9747 10.2801 10.2801 10.6726 10.6726 11.2619 11.2619 14.3919 14.3919 16.2762 16.2762 16.4606 16.4606 16.5388 16.5388 16.8728 16.8728 k = 0.5000 0.2865 0.0793 ( 2198 PWs) bands (ev): 6.7050 6.7050 7.0337 7.0337 7.1991 7.1991 7.8445 7.8445 8.1603 8.1603 8.3213 8.3213 9.2960 9.2960 9.7511 9.7511 9.9439 9.9439 10.2595 10.2595 10.6618 10.6618 11.2661 11.2661 14.3835 14.3835 16.2860 16.2860 16.4847 16.4847 16.5584 16.5584 16.9614 16.9614 k = 0.5000 0.2865 0.0634 ( 2198 PWs) bands (ev): 6.6992 6.6992 7.0277 7.0277 7.1897 7.1897 7.8781 7.8781 8.1656 8.1656 8.2832 8.2832 9.3105 9.3105 9.7626 9.7626 9.9174 9.9174 10.2414 10.2414 10.6529 10.6529 11.2697 11.2697 14.3765 14.3765 16.2931 16.2931 16.5005 16.5005 16.5746 16.5746 17.0506 17.0506 k = 0.5000 0.2865 0.0476 ( 2198 PWs) bands (ev): 6.6947 6.6947 7.0230 7.0230 7.1825 7.1825 7.9106 7.9106 8.1698 8.1698 8.2471 8.2471 9.3235 9.3235 9.7713 9.7713 9.8964 9.8964 10.2262 10.2262 10.6460 10.6460 11.2725 11.2725 14.3710 14.3710 16.2984 16.2984 16.5114 16.5114 16.5868 16.5868 17.1327 17.1327 k = 0.5000 0.2865 0.0317 ( 2202 PWs) bands (ev): 6.6915 6.6915 7.0196 7.0196 7.1773 7.1773 7.9396 7.9396 8.1726 8.1726 8.2156 8.2156 9.3337 9.3337 9.7768 9.7768 9.8815 9.8815 10.2148 10.2148 10.6410 10.6410 11.2745 11.2745 14.3670 14.3670 16.3020 16.3020 16.5186 16.5186 16.5952 16.5952 17.2003 17.2003 k = 0.5000 0.2865 0.0159 ( 2202 PWs) bands (ev): 6.6896 6.6896 7.0175 7.0175 7.1741 7.1741 7.9612 7.9612 8.1733 8.1733 8.1934 8.1934 9.3404 9.3404 9.7795 9.7795 9.8731 9.8731 10.2076 10.2076 10.6380 10.6380 11.2757 11.2757 14.3646 14.3646 16.3041 16.3041 16.5229 16.5229 16.6000 16.6000 17.2455 17.2455 k = 0.5000 0.2865-0.0000 ( 2202 PWs) bands (ev): 6.6890 6.6890 7.0169 7.0169 7.1731 7.1731 7.9695 7.9695 8.1723 8.1723 8.1861 8.1861 9.3427 9.3427 9.7802 9.7802 9.8704 9.8704 10.2052 10.2052 10.6371 10.6371 11.2761 11.2761 14.3637 14.3637 16.3048 16.3048 16.5242 16.5242 16.6016 16.6016 17.2616 17.2616 k = 0.0000 0.0000 1.0058 ( 2194 PWs) bands (ev): 6.8296 6.8296 7.7747 7.7747 8.0063 8.0063 8.0990 8.0990 8.9984 8.9984 9.1287 9.1287 9.3585 9.3585 10.4030 10.4030 10.4816 10.4816 10.6527 10.6527 10.8702 10.8702 11.9819 11.9819 13.0975 13.0975 15.2441 15.2441 15.5749 15.5749 15.6490 15.6490 17.7727 17.7727 k = 0.0132 0.0075 1.0058 ( 2190 PWs) bands (ev): 6.8311 6.8311 7.7749 7.7749 8.0036 8.0036 8.0985 8.0985 8.9986 8.9986 9.1298 9.1298 9.3588 9.3588 10.4014 10.4014 10.4823 10.4823 10.6522 10.6522 10.8713 10.8713 11.9826 11.9826 13.0932 13.0932 15.2234 15.2234 15.5800 15.5800 15.6767 15.6767 17.7727 17.7727 k = 0.0263 0.0151 1.0058 ( 2190 PWs) bands (ev): 6.8358 6.8358 7.7755 7.7755 7.9957 7.9957 8.0969 8.0969 8.9992 8.9992 9.1331 9.1331 9.3599 9.3599 10.3970 10.3970 10.4843 10.4843 10.6509 10.6509 10.8744 10.8744 11.9847 11.9847 13.0805 13.0805 15.1728 15.1728 15.5975 15.5975 15.7463 15.7463 17.7727 17.7727 k = 0.0395 0.0226 1.0058 ( 2188 PWs) bands (ev): 6.8435 6.8435 7.7764 7.7764 7.9829 7.9829 8.0941 8.0941 9.0002 9.0002 9.1383 9.1383 9.3617 9.3617 10.3902 10.3902 10.4872 10.4872 10.6487 10.6487 10.8794 10.8794 11.9884 11.9884 13.0599 13.0599 15.1092 15.1092 15.6280 15.6280 15.8397 15.8397 17.7727 17.7727 k = 0.0526 0.0302 1.0058 ( 2184 PWs) bands (ev): 6.8543 6.8543 7.7777 7.7777 7.9656 7.9656 8.0901 8.0901 9.0016 9.0016 9.1454 9.1454 9.3640 9.3640 10.3815 10.3815 10.4908 10.4908 10.6458 10.6458 10.8860 10.8860 11.9936 11.9936 13.0320 13.0320 15.0423 15.0423 15.6703 15.6703 15.9473 15.9473 17.7727 17.7727 k = 0.0658 0.0377 1.0058 ( 2180 PWs) bands (ev): 6.8681 6.8681 7.7792 7.7792 7.9443 7.9443 8.0847 8.0847 9.0033 9.0033 9.1540 9.1540 9.3670 9.3670 10.3715 10.3715 10.4947 10.4947 10.6424 10.6424 10.8938 10.8938 12.0004 12.0004 12.9978 12.9978 14.9763 14.9763 15.7234 15.7234 16.0649 16.0649 17.7727 17.7727 k = 0.0789 0.0452 1.0058 ( 2182 PWs) bands (ev): 6.8848 6.8848 7.7807 7.7807 7.9196 7.9196 8.0781 8.0781 9.0054 9.0054 9.1638 9.1638 9.3704 9.3704 10.3606 10.3606 10.4988 10.4988 10.6385 10.6385 10.9025 10.9025 12.0089 12.0089 12.9582 12.9582 14.9134 14.9134 15.7863 15.7863 16.1902 16.1902 17.7727 17.7727 k = 0.0921 0.0528 1.0058 ( 2182 PWs) bands (ev): 6.9042 6.9042 7.7818 7.7818 7.8924 7.8924 8.0705 8.0705 9.0077 9.0077 9.1745 9.1745 9.3742 9.3742 10.3493 10.3493 10.5030 10.5030 10.6342 10.6342 10.9117 10.9117 12.0191 12.0191 12.9141 12.9141 14.8545 14.8545 15.8578 15.8578 16.3221 16.3221 17.7727 17.7727 k = 0.1053 0.0603 1.0058 ( 2174 PWs) bands (ev): 6.9264 6.9264 7.7813 7.7813 7.8642 7.8642 8.0619 8.0619 9.0102 9.0102 9.1856 9.1856 9.3782 9.3782 10.3377 10.3377 10.5073 10.5073 10.6297 10.6297 10.9212 10.9212 12.0313 12.0313 12.8667 12.8667 14.8000 14.8000 15.9370 15.9370 16.4595 16.4595 17.7727 17.7727 k = 0.1184 0.0678 1.0058 ( 2176 PWs) bands (ev): 6.9510 6.9510 7.7759 7.7759 7.8387 7.8387 8.0526 8.0526 9.0128 9.0128 9.1970 9.1970 9.3825 9.3825 10.3264 10.3264 10.5117 10.5117 10.6250 10.6250 10.9307 10.9307 12.0455 12.0455 12.8167 12.8167 14.7502 14.7502 16.0230 16.0230 16.6019 16.6019 17.7726 17.7726 k = 0.1316 0.0754 1.0058 ( 2176 PWs) bands (ev): 6.9780 6.9780 7.7586 7.7586 7.8232 7.8232 8.0429 8.0429 9.0154 9.0154 9.2083 9.2083 9.3867 9.3867 10.3155 10.3155 10.5161 10.5161 10.6202 10.6202 10.9399 10.9399 12.0618 12.0618 12.7651 12.7651 14.7053 14.7053 16.1148 16.1148 16.7485 16.7485 17.7725 17.7725 k = 0.1447 0.0829 1.0058 ( 2176 PWs) bands (ev): 7.0072 7.0072 7.7288 7.7288 7.8188 7.8188 8.0329 8.0329 9.0180 9.0180 9.2191 9.2191 9.3909 9.3909 10.3052 10.3052 10.5206 10.5206 10.6153 10.6153 10.9486 10.9486 12.0804 12.0804 12.7126 12.7126 14.6652 14.6652 16.2117 16.2117 16.8987 16.8987 17.7723 17.7723 k = 0.1579 0.0905 1.0058 ( 2176 PWs) bands (ev): 7.0380 7.0380 7.6928 7.6928 7.8196 7.8196 8.0229 8.0229 9.0205 9.0205 9.2293 9.2293 9.3949 9.3949 10.2958 10.2958 10.5250 10.5250 10.6104 10.6104 10.9566 10.9566 12.1013 12.1013 12.6599 12.6599 14.6300 14.6300 16.3128 16.3128 17.0518 17.0519 17.7719 17.7719 k = 0.1711 0.0980 1.0058 ( 2176 PWs) bands (ev): 7.0703 7.0703 7.6543 7.6543 7.8225 7.8225 8.0132 8.0132 9.0229 9.0229 9.2386 9.2386 9.3986 9.3986 10.2874 10.2874 10.5294 10.5294 10.6056 10.6056 10.9638 10.9638 12.1247 12.1247 12.6076 12.6076 14.5995 14.5995 16.4175 16.4175 17.2067 17.2067 17.7702 17.7702 k = 0.1842 0.1055 1.0058 ( 2170 PWs) bands (ev): 7.1034 7.1034 7.6151 7.6151 7.8262 7.8262 8.0041 8.0041 9.0249 9.0249 9.2469 9.2469 9.4018 9.4018 10.2801 10.2801 10.5337 10.5337 10.6009 10.6009 10.9701 10.9701 12.1506 12.1506 12.5561 12.5561 14.5739 14.5739 16.5250 16.5250 17.3609 17.3609 17.7370 17.7370 k = 0.1974 0.1131 1.0058 ( 2166 PWs) bands (ev): 7.1364 7.1364 7.5766 7.5766 7.8300 7.8300 7.9959 7.9959 9.0267 9.0267 9.2538 9.2538 9.4046 9.4046 10.2740 10.2740 10.5378 10.5378 10.5966 10.5966 10.9754 10.9754 12.1791 12.1791 12.5061 12.5061 14.5530 14.5530 16.6342 16.6342 17.4993 17.4993 17.6466 17.6466 k = 0.2105 0.1206 1.0058 ( 2166 PWs) bands (ev): 7.1679 7.1679 7.5407 7.5407 7.8335 7.8335 7.9890 7.9890 9.0282 9.0282 9.2594 9.2594 9.4069 9.4069 10.2692 10.2692 10.5414 10.5414 10.5926 10.5926 10.9796 10.9796 12.2100 12.2100 12.4579 12.4579 14.5368 14.5368 16.7439 16.7439 17.4857 17.4857 17.7013 17.7013 k = 0.2237 0.1282 1.0058 ( 2162 PWs) bands (ev): 7.1955 7.1955 7.5098 7.5098 7.8364 7.8364 7.9837 7.9837 9.0292 9.0292 9.2634 9.2634 9.4085 9.4085 10.2658 10.2658 10.5445 10.5445 10.5894 10.5894 10.9826 10.9826 12.2432 12.2432 12.4122 12.4122 14.5252 14.5252 16.8510 16.8510 17.3846 17.3846 17.7701 17.7701 k = 0.2368 0.1357 1.0058 ( 2160 PWs) bands (ev): 7.2154 7.2154 7.4879 7.4879 7.8382 7.8382 7.9804 7.9804 9.0298 9.0298 9.2659 9.2659 9.4095 9.4095 10.2637 10.2637 10.5466 10.5466 10.5872 10.5872 10.9845 10.9845 12.2773 12.2773 12.3705 12.3705 14.5183 14.5183 16.9467 16.9467 17.2892 17.2892 17.7721 17.7721 k = 0.2500 0.1432 1.0058 ( 2168 PWs) bands (ev): 7.2228 7.2228 7.4797 7.4797 7.8389 7.8389 7.9792 7.9792 9.0300 9.0300 9.2667 9.2667 9.4099 9.4099 10.2630 10.2630 10.5473 10.5473 10.5864 10.5864 10.9851 10.9851 12.2999 12.2999 12.3454 12.3454 14.5160 14.5160 16.9946 16.9946 17.2411 17.2411 17.7724 17.7724 Writing output data file ZrAu2.save init_run : 0.18s CPU 0.34s WALL ( 1 calls) electrons : 152.30s CPU 154.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 152.29s CPU 154.66s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 408 calls) cegterg : 133.76s CPU 135.44s WALL ( 549 calls) Called by sum_band: Called by *egterg: h_psi : 96.86s CPU 98.22s WALL ( 9400 calls) s_psi : 2.24s CPU 2.23s WALL ( 9400 calls) g_psi : 0.14s CPU 0.14s WALL ( 8443 calls) cdiaghg : 37.09s CPU 37.64s WALL ( 8851 calls) cegterg:over : 3.19s CPU 3.26s WALL ( 8443 calls) cegterg:upda : 2.04s CPU 2.14s WALL ( 8443 calls) cegterg:last : 1.49s CPU 1.42s WALL ( 1976 calls) cdiaghg:chol : 1.83s CPU 1.93s WALL ( 8851 calls) cdiaghg:inve : 1.11s CPU 1.08s WALL ( 8851 calls) cdiaghg:para : 2.02s CPU 2.13s WALL ( 17702 calls) Called by h_psi: h_psi:vloc : 90.96s CPU 92.40s WALL ( 9400 calls) h_psi:vnl : 5.85s CPU 5.75s WALL ( 9400 calls) add_vuspsi : 3.15s CPU 3.11s WALL ( 9400 calls) General routines calbec : 2.67s CPU 2.62s WALL ( 9400 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 85.10s CPU 86.48s WALL ( 852888 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.25s WALL ( 816 calls) Parallel routines fft_scatter : 27.25s CPU 28.23s WALL ( 852911 calls) PWSCF : 2m43.62s CPU 3m 7.96s WALL This run was terminated on: 13:33:19 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=