Program PWSCF v.5.1.1 starts on 18Jun2016 at 13:39:22 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./LiFeP.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 25 7 357 357 58 Max 26 26 8 361 361 61 Sum 1247 1247 383 17291 17291 2881 bravais-lattice index = 14 lattice parameter (alat) = 6.8005 a.u. unit-cell volume = 123.2994 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.800550 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.777728 celldm(5)= -0.777728 celldm(6)= 0.555456 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.555456 0.831546 0.000000 ) a(3) = ( -0.777728 -0.415773 0.471457 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.667980 1.060541 ) b(2) = ( 0.000000 1.202579 1.060541 ) b(3) = ( 0.000000 0.000000 2.121082 ) PseudoPot. # 1 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Fe 8.00 55.84500 Fe( 1.00) Li 3.00 6.94100 Li( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no 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 inv. 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 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 584 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017123 k( 2) = ( 0.0000000 0.0000000 0.0114037), wk = 0.0017123 k( 3) = ( 0.0000000 0.0000000 0.0228073), wk = 0.0017123 k( 4) = ( 0.0000000 0.0000000 0.0342110), wk = 0.0017123 k( 5) = ( 0.0000000 0.0000000 0.0456147), wk = 0.0017123 k( 6) = ( 0.0000000 0.0000000 0.0570183), wk = 0.0017123 k( 7) = ( 0.0000000 0.0000000 0.0684220), wk = 0.0017123 k( 8) = ( 0.0000000 0.0000000 0.0798257), wk = 0.0017123 k( 9) = ( 0.0000000 0.0000000 0.0912293), wk = 0.0017123 k( 10) = ( 0.0000000 0.0000000 0.1026330), wk = 0.0017123 k( 11) = ( 0.0000000 0.0000000 0.1140367), wk = 0.0017123 k( 12) = ( 0.0000000 0.0000000 0.1254403), wk = 0.0017123 k( 13) = ( 0.0000000 0.0000000 0.1368440), wk = 0.0017123 k( 14) = ( 0.0000000 0.0000000 0.1482477), wk = 0.0017123 k( 15) = ( 0.0000000 0.0000000 0.1596514), wk = 0.0017123 k( 16) = ( 0.0000000 0.0000000 0.1710550), wk = 0.0017123 k( 17) = ( 0.0000000 0.0000000 0.1824587), wk = 0.0017123 k( 18) = ( 0.0000000 0.0000000 0.1938624), wk = 0.0017123 k( 19) = ( 0.0000000 0.0000000 0.2052660), wk = 0.0017123 k( 20) = ( 0.0000000 0.0000000 0.2166697), wk = 0.0017123 k( 21) = ( 0.0000000 0.0000000 0.2280734), wk = 0.0017123 k( 22) = ( 0.0000000 0.0000000 0.2394770), wk = 0.0017123 k( 23) = ( 0.0000000 0.0000000 0.2508807), wk = 0.0017123 k( 24) = ( 0.0000000 0.0000000 0.2622844), wk = 0.0017123 k( 25) = ( 0.0000000 0.0000000 0.2736881), wk = 0.0017123 k( 26) = ( 0.0000000 0.0000000 0.2850917), wk = 0.0017123 k( 27) = ( 0.0000000 0.0000000 0.2964954), wk = 0.0017123 k( 28) = ( 0.0000000 0.0000000 0.3078991), wk = 0.0017123 k( 29) = ( 0.0000000 0.0000000 0.3193027), wk = 0.0017123 k( 30) = ( 0.0000000 0.0000000 0.3307064), wk = 0.0017123 k( 31) = ( 0.0000000 0.0000000 0.3421101), wk = 0.0017123 k( 32) = ( 0.0000000 0.0000000 0.3535137), wk = 0.0017123 k( 33) = ( 0.0000000 0.0000000 0.3649174), wk = 0.0017123 k( 34) = ( 0.0000000 0.0000000 0.3763211), wk = 0.0017123 k( 35) = ( 0.0000000 0.0000000 0.3877247), wk = 0.0017123 k( 36) = ( 0.0000000 0.0000000 0.3991284), wk = 0.0017123 k( 37) = ( 0.0000000 0.0000000 0.4105321), wk = 0.0017123 k( 38) = ( 0.0000000 0.0000000 0.4219357), wk = 0.0017123 k( 39) = ( 0.0000000 0.0000000 0.4333394), wk = 0.0017123 k( 40) = ( 0.0000000 0.0000000 0.4447431), wk = 0.0017123 k( 41) = ( 0.0000000 0.0000000 0.4561467), wk = 0.0017123 k( 42) = ( 0.0000000 0.0000000 0.4675504), wk = 0.0017123 k( 43) = ( 0.0000000 0.0000000 0.4789541), wk = 0.0017123 k( 44) = ( 0.0000000 0.0000000 0.4903578), wk = 0.0017123 k( 45) = ( 0.0000000 0.0000000 0.5017614), wk = 0.0017123 k( 46) = ( 0.0000000 0.0000000 0.5131651), wk = 0.0017123 k( 47) = ( 0.0000000 0.0000000 0.5245688), wk = 0.0017123 k( 48) = ( 0.0000000 0.0000000 0.5359724), wk = 0.0017123 k( 49) = ( 0.0000000 0.0000000 0.5473761), wk = 0.0017123 k( 50) = ( 0.0000000 0.0000000 0.5587798), wk = 0.0017123 k( 51) = ( 0.0000000 0.0000000 0.5701834), wk = 0.0017123 k( 52) = ( 0.0000000 0.0000000 0.5815871), wk = 0.0017123 k( 53) = ( 0.0000000 0.0000000 0.5929908), wk = 0.0017123 k( 54) = ( 0.0000000 0.0000000 0.6043944), wk = 0.0017123 k( 55) = ( 0.0000000 0.0000000 0.6157981), wk = 0.0017123 k( 56) = ( 0.0000000 0.0000000 0.6272018), wk = 0.0017123 k( 57) = ( 0.0000000 0.0000000 0.6386054), wk = 0.0017123 k( 58) = ( 0.0000000 0.0000000 0.6500091), wk = 0.0017123 k( 59) = ( 0.0000000 0.0000000 0.6614128), wk = 0.0017123 k( 60) = ( 0.0000000 0.0000000 0.6728164), wk = 0.0017123 k( 61) = ( 0.0000000 0.0000000 0.6842201), wk = 0.0017123 k( 62) = ( 0.0000000 0.0000000 0.6956238), wk = 0.0017123 k( 63) = ( 0.0000000 0.0000000 0.7070274), wk = 0.0017123 k( 64) = ( 0.0000000 0.0000000 0.7184311), wk = 0.0017123 k( 65) = ( 0.0000000 0.0000000 0.7298348), wk = 0.0017123 k( 66) = ( 0.0000000 0.0000000 0.7412385), wk = 0.0017123 k( 67) = ( 0.0000000 0.0000000 0.7526421), wk = 0.0017123 k( 68) = ( 0.0000000 0.0000000 0.7640458), wk = 0.0017123 k( 69) = ( 0.0000000 0.0000000 0.7754495), wk = 0.0017123 k( 70) = ( 0.0000000 0.0000000 0.7868531), wk = 0.0017123 k( 71) = ( 0.0000000 0.0000000 0.7982568), wk = 0.0017123 k( 72) = ( 0.0000000 0.0000000 0.8096605), wk = 0.0017123 k( 73) = ( 0.0000000 0.0000000 0.8210641), wk = 0.0017123 k( 74) = ( 0.0000000 0.0000000 0.8324678), wk = 0.0017123 k( 75) = ( 0.0000000 0.0000000 0.8438715), wk = 0.0017123 k( 76) = ( 0.0000000 0.0000000 0.8552752), wk = 0.0017123 k( 77) = ( 0.0000000 0.0000000 0.8666788), wk = 0.0017123 k( 78) = ( 0.0000000 0.0000000 0.8780825), wk = 0.0017123 k( 79) = ( 0.0000000 0.0000000 0.8894862), wk = 0.0017123 k( 80) = ( 0.0000000 0.0000000 0.9008898), wk = 0.0017123 k( 81) = ( 0.0000000 0.0000000 0.9122935), wk = 0.0017123 k( 82) = ( 0.0000000 0.0000000 0.9236972), wk = 0.0017123 k( 83) = ( 0.0000000 0.0000000 0.9351008), wk = 0.0017123 k( 84) = ( 0.0000000 0.0000000 0.9465045), wk = 0.0017123 k( 85) = ( 0.0000000 0.0000000 0.9579082), wk = 0.0017123 k( 86) = ( 0.0000000 0.0000000 0.9693118), wk = 0.0017123 k( 87) = ( 0.0000000 0.0000000 0.9807155), wk = 0.0017123 k( 88) = ( 0.0000000 0.0000000 0.9921192), wk = 0.0017123 k( 89) = ( 0.0000000 0.0000000 1.0035228), wk = 0.0017123 k( 90) = ( 0.0000000 0.0000000 1.0149265), wk = 0.0017123 k( 91) = ( 0.0000000 0.0000000 1.0263302), wk = 0.0017123 k( 92) = ( 0.0000000 0.0000000 1.0377338), wk = 0.0017123 k( 93) = ( 0.0000000 0.0000000 1.0491375), wk = 0.0017123 k( 94) = ( 0.0000000 0.0000000 1.0605412), wk = 0.0017123 k( 95) = ( 0.0000000 0.0000000 1.0605412), wk = 0.0017123 k( 96) = ( -0.0051035 0.0095464 1.0605412), wk = 0.0017123 k( 97) = ( -0.0102070 0.0190929 1.0605412), wk = 0.0017123 k( 98) = ( -0.0153105 0.0286393 1.0605412), wk = 0.0017123 k( 99) = ( -0.0204140 0.0381857 1.0605412), wk = 0.0017123 k( 100) = ( -0.0255176 0.0477321 1.0605412), wk = 0.0017123 k( 101) = ( -0.0306211 0.0572785 1.0605412), wk = 0.0017123 k( 102) = ( -0.0357246 0.0668249 1.0605412), wk = 0.0017123 k( 103) = ( -0.0408281 0.0763714 1.0605412), wk = 0.0017123 k( 104) = ( -0.0459316 0.0859178 1.0605412), wk = 0.0017123 k( 105) = ( -0.0510351 0.0954642 1.0605412), wk = 0.0017123 k( 106) = ( -0.0561386 0.1050106 1.0605412), wk = 0.0017123 k( 107) = ( -0.0612422 0.1145571 1.0605412), wk = 0.0017123 k( 108) = ( -0.0663457 0.1241035 1.0605412), wk = 0.0017123 k( 109) = ( -0.0714492 0.1336499 1.0605412), wk = 0.0017123 k( 110) = ( -0.0714492 0.1336499 1.0605412), wk = 0.0017123 k( 111) = ( -0.0752084 0.1406817 1.0525676), wk = 0.0017123 k( 112) = ( -0.0789676 0.1477136 1.0445939), wk = 0.0017123 k( 113) = ( -0.0827268 0.1547454 1.0366204), wk = 0.0017123 k( 114) = ( -0.0864860 0.1617772 1.0286467), wk = 0.0017123 k( 115) = ( -0.0902453 0.1688091 1.0206731), wk = 0.0017123 k( 116) = ( -0.0940045 0.1758409 1.0126995), wk = 0.0017123 k( 117) = ( -0.0977637 0.1828728 1.0047259), wk = 0.0017123 k( 118) = ( -0.1015229 0.1899046 0.9967523), wk = 0.0017123 k( 119) = ( -0.1052821 0.1969364 0.9887787), wk = 0.0017123 k( 120) = ( -0.1090414 0.2039683 0.9808051), wk = 0.0017123 k( 121) = ( -0.1128006 0.2110001 0.9728315), wk = 0.0017123 k( 122) = ( -0.1165598 0.2180319 0.9648579), wk = 0.0017123 k( 123) = ( -0.1203190 0.2250638 0.9568842), wk = 0.0017123 k( 124) = ( -0.1240782 0.2320956 0.9489106), wk = 0.0017123 k( 125) = ( -0.1278374 0.2391275 0.9409370), wk = 0.0017123 k( 126) = ( -0.1315967 0.2461593 0.9329634), wk = 0.0017123 k( 127) = ( -0.1353559 0.2531911 0.9249898), wk = 0.0017123 k( 128) = ( -0.1391151 0.2602230 0.9170162), wk = 0.0017123 k( 129) = ( -0.1428743 0.2672548 0.9090426), wk = 0.0017123 k( 130) = ( -0.1466335 0.2742867 0.9010690), wk = 0.0017123 k( 131) = ( -0.1503927 0.2813185 0.8930954), wk = 0.0017123 k( 132) = ( -0.1541520 0.2883503 0.8851217), wk = 0.0017123 k( 133) = ( -0.1579112 0.2953822 0.8771481), wk = 0.0017123 k( 134) = ( -0.1616704 0.3024140 0.8691745), wk = 0.0017123 k( 135) = ( -0.1654296 0.3094458 0.8612009), wk = 0.0017123 k( 136) = ( -0.1691888 0.3164777 0.8532273), wk = 0.0017123 k( 137) = ( -0.1729481 0.3235095 0.8452537), wk = 0.0017123 k( 138) = ( -0.1767073 0.3305414 0.8372801), wk = 0.0017123 k( 139) = ( -0.1804665 0.3375732 0.8293065), wk = 0.0017123 k( 140) = ( -0.1842257 0.3446050 0.8213329), wk = 0.0017123 k( 141) = ( -0.1879849 0.3516369 0.8133593), wk = 0.0017123 k( 142) = ( -0.1917442 0.3586687 0.8053856), wk = 0.0017123 k( 143) = ( -0.1955034 0.3657006 0.7974120), wk = 0.0017123 k( 144) = ( -0.1992626 0.3727324 0.7894384), wk = 0.0017123 k( 145) = ( -0.2030218 0.3797642 0.7814648), wk = 0.0017123 k( 146) = ( -0.2067810 0.3867961 0.7734912), wk = 0.0017123 k( 147) = ( -0.2105402 0.3938279 0.7655176), wk = 0.0017123 k( 148) = ( -0.2142995 0.4008597 0.7575440), wk = 0.0017123 k( 149) = ( -0.2180587 0.4078916 0.7495704), wk = 0.0017123 k( 150) = ( -0.2218179 0.4149234 0.7415968), wk = 0.0017123 k( 151) = ( -0.2255771 0.4219553 0.7336231), wk = 0.0017123 k( 152) = ( -0.2293363 0.4289871 0.7256496), wk = 0.0017123 k( 153) = ( -0.2330955 0.4360189 0.7176759), wk = 0.0017123 k( 154) = ( -0.2368548 0.4430508 0.7097023), wk = 0.0017123 k( 155) = ( -0.2406140 0.4500826 0.7017287), wk = 0.0017123 k( 156) = ( -0.2443732 0.4571144 0.6937551), wk = 0.0017123 k( 157) = ( -0.2481324 0.4641463 0.6857815), wk = 0.0017123 k( 158) = ( -0.2518916 0.4711781 0.6778079), wk = 0.0017123 k( 159) = ( -0.2556508 0.4782100 0.6698343), wk = 0.0017123 k( 160) = ( -0.2594101 0.4852418 0.6618607), wk = 0.0017123 k( 161) = ( -0.2631693 0.4922736 0.6538871), wk = 0.0017123 k( 162) = ( -0.2669285 0.4993055 0.6459134), wk = 0.0017123 k( 163) = ( -0.2706877 0.5063373 0.6379398), wk = 0.0017123 k( 164) = ( -0.2744469 0.5133691 0.6299662), wk = 0.0017123 k( 165) = ( -0.2782062 0.5204010 0.6219926), wk = 0.0017123 k( 166) = ( -0.2819654 0.5274328 0.6140190), wk = 0.0017123 k( 167) = ( -0.2857246 0.5344647 0.6060454), wk = 0.0017123 k( 168) = ( -0.2857246 0.5344647 0.6060454), wk = 0.0017123 k( 169) = ( -0.2819149 0.5273385 0.5979648), wk = 0.0017123 k( 170) = ( -0.2781053 0.5202123 0.5898842), wk = 0.0017123 k( 171) = ( -0.2742956 0.5130861 0.5818036), wk = 0.0017123 k( 172) = ( -0.2704859 0.5059599 0.5737230), wk = 0.0017123 k( 173) = ( -0.2666763 0.4988337 0.5656424), wk = 0.0017123 k( 174) = ( -0.2628666 0.4917075 0.5575617), wk = 0.0017123 k( 175) = ( -0.2590570 0.4845813 0.5494811), wk = 0.0017123 k( 176) = ( -0.2552473 0.4774551 0.5414005), wk = 0.0017123 k( 177) = ( -0.2514376 0.4703289 0.5333199), wk = 0.0017123 k( 178) = ( -0.2476280 0.4632027 0.5252393), wk = 0.0017123 k( 179) = ( -0.2438183 0.4560765 0.5171587), wk = 0.0017123 k( 180) = ( -0.2400087 0.4489503 0.5090781), wk = 0.0017123 k( 181) = ( -0.2361990 0.4418241 0.5009975), wk = 0.0017123 k( 182) = ( -0.2323893 0.4346979 0.4929169), wk = 0.0017123 k( 183) = ( -0.2285797 0.4275717 0.4848363), wk = 0.0017123 k( 184) = ( -0.2247700 0.4204455 0.4767557), wk = 0.0017123 k( 185) = ( -0.2209603 0.4133193 0.4686751), wk = 0.0017123 k( 186) = ( -0.2171507 0.4061931 0.4605945), wk = 0.0017123 k( 187) = ( -0.2133410 0.3990669 0.4525139), wk = 0.0017123 k( 188) = ( -0.2095314 0.3919408 0.4444333), wk = 0.0017123 k( 189) = ( -0.2057217 0.3848146 0.4363527), wk = 0.0017123 k( 190) = ( -0.2019120 0.3776884 0.4282721), wk = 0.0017123 k( 191) = ( -0.1981024 0.3705622 0.4201915), wk = 0.0017123 k( 192) = ( -0.1942927 0.3634360 0.4121109), wk = 0.0017123 k( 193) = ( -0.1904831 0.3563098 0.4040303), wk = 0.0017123 k( 194) = ( -0.1866734 0.3491836 0.3959497), wk = 0.0017123 k( 195) = ( -0.1828637 0.3420574 0.3878691), wk = 0.0017123 k( 196) = ( -0.1790541 0.3349312 0.3797884), wk = 0.0017123 k( 197) = ( -0.1752444 0.3278050 0.3717078), wk = 0.0017123 k( 198) = ( -0.1714347 0.3206788 0.3636272), wk = 0.0017123 k( 199) = ( -0.1676251 0.3135526 0.3555466), wk = 0.0017123 k( 200) = ( -0.1638154 0.3064264 0.3474660), wk = 0.0017123 k( 201) = ( -0.1600058 0.2993002 0.3393854), wk = 0.0017123 k( 202) = ( -0.1561961 0.2921740 0.3313048), wk = 0.0017123 k( 203) = ( -0.1523865 0.2850478 0.3232242), wk = 0.0017123 k( 204) = ( -0.1485768 0.2779216 0.3151436), wk = 0.0017123 k( 205) = ( -0.1447671 0.2707954 0.3070630), wk = 0.0017123 k( 206) = ( -0.1409575 0.2636692 0.2989824), wk = 0.0017123 k( 207) = ( -0.1371478 0.2565430 0.2909018), wk = 0.0017123 k( 208) = ( -0.1333381 0.2494168 0.2828212), wk = 0.0017123 k( 209) = ( -0.1295285 0.2422906 0.2747406), wk = 0.0017123 k( 210) = ( -0.1257188 0.2351644 0.2666600), wk = 0.0017123 k( 211) = ( -0.1219092 0.2280383 0.2585794), wk = 0.0017123 k( 212) = ( -0.1180995 0.2209121 0.2504988), wk = 0.0017123 k( 213) = ( -0.1142898 0.2137859 0.2424182), wk = 0.0017123 k( 214) = ( -0.1104802 0.2066597 0.2343376), wk = 0.0017123 k( 215) = ( -0.1066705 0.1995335 0.2262569), wk = 0.0017123 k( 216) = ( -0.1028609 0.1924073 0.2181763), wk = 0.0017123 k( 217) = ( -0.0990512 0.1852811 0.2100957), wk = 0.0017123 k( 218) = ( -0.0952415 0.1781549 0.2020151), wk = 0.0017123 k( 219) = ( -0.0914319 0.1710287 0.1939345), wk = 0.0017123 k( 220) = ( -0.0876222 0.1639025 0.1858539), wk = 0.0017123 k( 221) = ( -0.0838125 0.1567763 0.1777733), wk = 0.0017123 k( 222) = ( -0.0800029 0.1496501 0.1696927), wk = 0.0017123 k( 223) = ( -0.0761932 0.1425239 0.1616121), wk = 0.0017123 k( 224) = ( -0.0723836 0.1353977 0.1535315), wk = 0.0017123 k( 225) = ( -0.0685739 0.1282715 0.1454509), wk = 0.0017123 k( 226) = ( -0.0647642 0.1211453 0.1373703), wk = 0.0017123 k( 227) = ( -0.0609546 0.1140191 0.1292897), wk = 0.0017123 k( 228) = ( -0.0571449 0.1068929 0.1212091), wk = 0.0017123 k( 229) = ( -0.0533353 0.0997667 0.1131285), wk = 0.0017123 k( 230) = ( -0.0495256 0.0926405 0.1050479), wk = 0.0017123 k( 231) = ( -0.0457159 0.0855143 0.0969673), wk = 0.0017123 k( 232) = ( -0.0419063 0.0783881 0.0888866), wk = 0.0017123 k( 233) = ( -0.0380966 0.0712620 0.0808060), wk = 0.0017123 k( 234) = ( -0.0342869 0.0641358 0.0727254), wk = 0.0017123 k( 235) = ( -0.0304773 0.0570096 0.0646448), wk = 0.0017123 k( 236) = ( -0.0266676 0.0498834 0.0565642), wk = 0.0017123 k( 237) = ( -0.0228580 0.0427572 0.0484836), wk = 0.0017123 k( 238) = ( -0.0190483 0.0356310 0.0404030), wk = 0.0017123 k( 239) = ( -0.0152386 0.0285048 0.0323224), wk = 0.0017123 k( 240) = ( -0.0114290 0.0213786 0.0242418), wk = 0.0017123 k( 241) = ( -0.0076193 0.0142524 0.0161612), wk = 0.0017123 k( 242) = ( -0.0038097 0.0071262 0.0080806), wk = 0.0017123 k( 243) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017123 k( 244) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017123 k( 245) = ( 0.0100000 0.0053460 0.0000000), wk = 0.0017123 k( 246) = ( 0.0200000 0.0106920 0.0000000), wk = 0.0017123 k( 247) = ( 0.0300000 0.0160380 0.0000000), wk = 0.0017123 k( 248) = ( 0.0400000 0.0213840 0.0000000), wk = 0.0017123 k( 249) = ( 0.0500000 0.0267300 0.0000000), wk = 0.0017123 k( 250) = ( 0.0600000 0.0320760 0.0000000), wk = 0.0017123 k( 251) = ( 0.0700000 0.0374220 0.0000000), wk = 0.0017123 k( 252) = ( 0.0800000 0.0427680 0.0000000), wk = 0.0017123 k( 253) = ( 0.0900000 0.0481140 0.0000000), wk = 0.0017123 k( 254) = ( 0.1000000 0.0534600 0.0000000), wk = 0.0017123 k( 255) = ( 0.1100000 0.0588060 0.0000000), wk = 0.0017123 k( 256) = ( 0.1200000 0.0641520 0.0000000), wk = 0.0017123 k( 257) = ( 0.1300000 0.0694979 0.0000000), wk = 0.0017123 k( 258) = ( 0.1400000 0.0748439 0.0000000), wk = 0.0017123 k( 259) = ( 0.1500000 0.0801899 0.0000000), wk = 0.0017123 k( 260) = ( 0.1600000 0.0855359 0.0000000), wk = 0.0017123 k( 261) = ( 0.1700000 0.0908819 0.0000000), wk = 0.0017123 k( 262) = ( 0.1800000 0.0962279 0.0000000), wk = 0.0017123 k( 263) = ( 0.1900000 0.1015739 0.0000000), wk = 0.0017123 k( 264) = ( 0.2000000 0.1069199 0.0000000), wk = 0.0017123 k( 265) = ( 0.2100000 0.1122659 0.0000000), wk = 0.0017123 k( 266) = ( 0.2200000 0.1176119 0.0000000), wk = 0.0017123 k( 267) = ( 0.2300000 0.1229579 0.0000000), wk = 0.0017123 k( 268) = ( 0.2400000 0.1283039 0.0000000), wk = 0.0017123 k( 269) = ( 0.2500000 0.1336499 0.0000000), wk = 0.0017123 k( 270) = ( 0.2600000 0.1389959 0.0000000), wk = 0.0017123 k( 271) = ( 0.2700000 0.1443419 0.0000000), wk = 0.0017123 k( 272) = ( 0.2800000 0.1496879 0.0000000), wk = 0.0017123 k( 273) = ( 0.2900000 0.1550339 0.0000000), wk = 0.0017123 k( 274) = ( 0.3000000 0.1603799 0.0000000), wk = 0.0017123 k( 275) = ( 0.3100000 0.1657259 0.0000000), wk = 0.0017123 k( 276) = ( 0.3200000 0.1710719 0.0000000), wk = 0.0017123 k( 277) = ( 0.3300000 0.1764179 0.0000000), wk = 0.0017123 k( 278) = ( 0.3400000 0.1817639 0.0000000), wk = 0.0017123 k( 279) = ( 0.3500000 0.1871099 0.0000000), wk = 0.0017123 k( 280) = ( 0.3600000 0.1924559 0.0000000), wk = 0.0017123 k( 281) = ( 0.3700000 0.1978019 0.0000000), wk = 0.0017123 k( 282) = ( 0.3800000 0.2031478 0.0000000), wk = 0.0017123 k( 283) = ( 0.3900000 0.2084938 0.0000000), wk = 0.0017123 k( 284) = ( 0.4000000 0.2138398 0.0000000), wk = 0.0017123 k( 285) = ( 0.4100000 0.2191858 0.0000000), wk = 0.0017123 k( 286) = ( 0.4200000 0.2245318 0.0000000), wk = 0.0017123 k( 287) = ( 0.4300000 0.2298778 0.0000000), wk = 0.0017123 k( 288) = ( 0.4400000 0.2352238 0.0000000), wk = 0.0017123 k( 289) = ( 0.4500000 0.2405698 0.0000000), wk = 0.0017123 k( 290) = ( 0.4600000 0.2459158 0.0000000), wk = 0.0017123 k( 291) = ( 0.4700000 0.2512618 0.0000000), wk = 0.0017123 k( 292) = ( 0.4800000 0.2566078 0.0000000), wk = 0.0017123 k( 293) = ( 0.4900000 0.2619538 0.0000000), wk = 0.0017123 k( 294) = ( 0.5000000 0.2672998 0.0000000), wk = 0.0017123 k( 295) = ( 0.5000000 0.2672998 0.0000000), wk = 0.0017123 k( 296) = ( 0.4962408 0.2743316 0.0079736), wk = 0.0017123 k( 297) = ( 0.4924816 0.2813635 0.0159472), wk = 0.0017123 k( 298) = ( 0.4887224 0.2883953 0.0239208), wk = 0.0017123 k( 299) = ( 0.4849631 0.2954271 0.0318944), wk = 0.0017123 k( 300) = ( 0.4812039 0.3024590 0.0398681), wk = 0.0017123 k( 301) = ( 0.4774447 0.3094908 0.0478417), wk = 0.0017123 k( 302) = ( 0.4736855 0.3165227 0.0558153), wk = 0.0017123 k( 303) = ( 0.4699263 0.3235545 0.0637889), wk = 0.0017123 k( 304) = ( 0.4661670 0.3305863 0.0717625), wk = 0.0017123 k( 305) = ( 0.4624078 0.3376182 0.0797361), wk = 0.0017123 k( 306) = ( 0.4586486 0.3446500 0.0877097), wk = 0.0017123 k( 307) = ( 0.4548894 0.3516818 0.0956833), wk = 0.0017123 k( 308) = ( 0.4511302 0.3587137 0.1036569), wk = 0.0017123 k( 309) = ( 0.4473709 0.3657455 0.1116305), wk = 0.0017123 k( 310) = ( 0.4436117 0.3727774 0.1196042), wk = 0.0017123 k( 311) = ( 0.4398525 0.3798092 0.1275778), wk = 0.0017123 k( 312) = ( 0.4360933 0.3868410 0.1355514), wk = 0.0017123 k( 313) = ( 0.4323341 0.3938729 0.1435250), wk = 0.0017123 k( 314) = ( 0.4285749 0.4009047 0.1514986), wk = 0.0017123 k( 315) = ( 0.4248156 0.4079365 0.1594722), wk = 0.0017123 k( 316) = ( 0.4210564 0.4149684 0.1674458), wk = 0.0017123 k( 317) = ( 0.4172972 0.4220002 0.1754194), wk = 0.0017123 k( 318) = ( 0.4135380 0.4290321 0.1833930), wk = 0.0017123 k( 319) = ( 0.4097788 0.4360639 0.1913666), wk = 0.0017123 k( 320) = ( 0.4060196 0.4430957 0.1993403), wk = 0.0017123 k( 321) = ( 0.4022603 0.4501276 0.2073139), wk = 0.0017123 k( 322) = ( 0.3985011 0.4571594 0.2152875), wk = 0.0017123 k( 323) = ( 0.3947419 0.4641913 0.2232611), wk = 0.0017123 k( 324) = ( 0.3909827 0.4712231 0.2312347), wk = 0.0017123 k( 325) = ( 0.3872235 0.4782549 0.2392083), wk = 0.0017123 k( 326) = ( 0.3834643 0.4852868 0.2471819), wk = 0.0017123 k( 327) = ( 0.3797050 0.4923186 0.2551555), wk = 0.0017123 k( 328) = ( 0.3759458 0.4993504 0.2631291), wk = 0.0017123 k( 329) = ( 0.3721866 0.5063823 0.2711027), wk = 0.0017123 k( 330) = ( 0.3684274 0.5134141 0.2790764), wk = 0.0017123 k( 331) = ( 0.3646682 0.5204460 0.2870500), wk = 0.0017123 k( 332) = ( 0.3609090 0.5274778 0.2950236), wk = 0.0017123 k( 333) = ( 0.3571497 0.5345096 0.3029972), wk = 0.0017123 k( 334) = ( 0.3533905 0.5415415 0.3109708), wk = 0.0017123 k( 335) = ( 0.3496313 0.5485733 0.3189444), wk = 0.0017123 k( 336) = ( 0.3458721 0.5556052 0.3269180), wk = 0.0017123 k( 337) = ( 0.3421129 0.5626370 0.3348916), wk = 0.0017123 k( 338) = ( 0.3383536 0.5696688 0.3428652), wk = 0.0017123 k( 339) = ( 0.3345944 0.5767007 0.3508389), wk = 0.0017123 k( 340) = ( 0.3308352 0.5837325 0.3588125), wk = 0.0017123 k( 341) = ( 0.3270760 0.5907643 0.3667861), wk = 0.0017123 k( 342) = ( 0.3233168 0.5977962 0.3747597), wk = 0.0017123 k( 343) = ( 0.3195576 0.6048280 0.3827333), wk = 0.0017123 k( 344) = ( 0.3157983 0.6118599 0.3907069), wk = 0.0017123 k( 345) = ( 0.3120391 0.6188917 0.3986805), wk = 0.0017123 k( 346) = ( 0.3082799 0.6259235 0.4066541), wk = 0.0017123 k( 347) = ( 0.3045207 0.6329554 0.4146277), wk = 0.0017123 k( 348) = ( 0.3007615 0.6399872 0.4226014), wk = 0.0017123 k( 349) = ( 0.2970022 0.6470191 0.4305750), wk = 0.0017123 k( 350) = ( 0.2932430 0.6540509 0.4385486), wk = 0.0017123 k( 351) = ( 0.2894838 0.6610827 0.4465222), wk = 0.0017123 k( 352) = ( 0.2857246 0.6681146 0.4544958), wk = 0.0017123 k( 353) = ( 0.2857246 0.6681146 0.4544958), wk = 0.0017123 k( 354) = ( 0.2751422 0.6656396 0.4573023), wk = 0.0017123 k( 355) = ( 0.2645598 0.6631646 0.4601087), wk = 0.0017123 k( 356) = ( 0.2539774 0.6606896 0.4629152), wk = 0.0017123 k( 357) = ( 0.2433950 0.6582146 0.4657217), wk = 0.0017123 k( 358) = ( 0.2328126 0.6557396 0.4685282), wk = 0.0017123 k( 359) = ( 0.2222302 0.6532646 0.4713346), wk = 0.0017123 k( 360) = ( 0.2116478 0.6507896 0.4741411), wk = 0.0017123 k( 361) = ( 0.2010655 0.6483146 0.4769476), wk = 0.0017123 k( 362) = ( 0.1904831 0.6458396 0.4797541), wk = 0.0017123 k( 363) = ( 0.1799007 0.6433646 0.4825605), wk = 0.0017123 k( 364) = ( 0.1693183 0.6408896 0.4853670), wk = 0.0017123 k( 365) = ( 0.1587359 0.6384146 0.4881735), wk = 0.0017123 k( 366) = ( 0.1481535 0.6359396 0.4909800), wk = 0.0017123 k( 367) = ( 0.1375711 0.6334646 0.4937864), wk = 0.0017123 k( 368) = ( 0.1269887 0.6309896 0.4965929), wk = 0.0017123 k( 369) = ( 0.1164063 0.6285146 0.4993994), wk = 0.0017123 k( 370) = ( 0.1058239 0.6260396 0.5022058), wk = 0.0017123 k( 371) = ( 0.0952415 0.6235646 0.5050123), wk = 0.0017123 k( 372) = ( 0.0846591 0.6210896 0.5078188), wk = 0.0017123 k( 373) = ( 0.0740767 0.6186146 0.5106253), wk = 0.0017123 k( 374) = ( 0.0634944 0.6161396 0.5134318), wk = 0.0017123 k( 375) = ( 0.0529120 0.6136646 0.5162382), wk = 0.0017123 k( 376) = ( 0.0423296 0.6111896 0.5190447), wk = 0.0017123 k( 377) = ( 0.0317472 0.6087146 0.5218512), wk = 0.0017123 k( 378) = ( 0.0211648 0.6062396 0.5246576), wk = 0.0017123 k( 379) = ( 0.0105824 0.6037646 0.5274641), wk = 0.0017123 k( 380) = ( 0.0000000 0.6012896 0.5302706), wk = 0.0017123 k( 381) = ( 0.0000000 0.6012896 0.5302706), wk = 0.0017123 k( 382) = ( 0.0037879 0.5942042 0.5383050), wk = 0.0017123 k( 383) = ( 0.0075758 0.5871187 0.5463394), wk = 0.0017123 k( 384) = ( 0.0113636 0.5800333 0.5543738), wk = 0.0017123 k( 385) = ( 0.0151515 0.5729478 0.5624082), wk = 0.0017123 k( 386) = ( 0.0189394 0.5658624 0.5704426), wk = 0.0017123 k( 387) = ( 0.0227273 0.5587769 0.5784770), wk = 0.0017123 k( 388) = ( 0.0265152 0.5516915 0.5865114), wk = 0.0017123 k( 389) = ( 0.0303030 0.5446060 0.5945458), wk = 0.0017123 k( 390) = ( 0.0340909 0.5375206 0.6025802), wk = 0.0017123 k( 391) = ( 0.0378788 0.5304351 0.6106146), wk = 0.0017123 k( 392) = ( 0.0416667 0.5233497 0.6186490), wk = 0.0017123 k( 393) = ( 0.0454546 0.5162642 0.6266834), wk = 0.0017123 k( 394) = ( 0.0492424 0.5091788 0.6347178), wk = 0.0017123 k( 395) = ( 0.0530303 0.5020933 0.6427522), wk = 0.0017123 k( 396) = ( 0.0568182 0.4950079 0.6507866), wk = 0.0017123 k( 397) = ( 0.0606061 0.4879224 0.6588210), wk = 0.0017123 k( 398) = ( 0.0643939 0.4808370 0.6668554), wk = 0.0017123 k( 399) = ( 0.0681818 0.4737515 0.6748898), wk = 0.0017123 k( 400) = ( 0.0719697 0.4666661 0.6829242), wk = 0.0017123 k( 401) = ( 0.0757576 0.4595806 0.6909587), wk = 0.0017123 k( 402) = ( 0.0795455 0.4524952 0.6989930), wk = 0.0017123 k( 403) = ( 0.0833333 0.4454097 0.7070274), wk = 0.0017123 k( 404) = ( 0.0871212 0.4383243 0.7150619), wk = 0.0017123 k( 405) = ( 0.0909091 0.4312388 0.7230963), wk = 0.0017123 k( 406) = ( 0.0946970 0.4241534 0.7311307), wk = 0.0017123 k( 407) = ( 0.0984848 0.4170679 0.7391651), wk = 0.0017123 k( 408) = ( 0.1022727 0.4099824 0.7471995), wk = 0.0017123 k( 409) = ( 0.1060606 0.4028970 0.7552339), wk = 0.0017123 k( 410) = ( 0.1098485 0.3958116 0.7632683), wk = 0.0017123 k( 411) = ( 0.1136364 0.3887261 0.7713027), wk = 0.0017123 k( 412) = ( 0.1174242 0.3816407 0.7793371), wk = 0.0017123 k( 413) = ( 0.1212121 0.3745552 0.7873715), wk = 0.0017123 k( 414) = ( 0.1250000 0.3674698 0.7954059), wk = 0.0017123 k( 415) = ( 0.1287879 0.3603843 0.8034403), wk = 0.0017123 k( 416) = ( 0.1325758 0.3532988 0.8114747), wk = 0.0017123 k( 417) = ( 0.1363636 0.3462134 0.8195091), wk = 0.0017123 k( 418) = ( 0.1401515 0.3391279 0.8275435), wk = 0.0017123 k( 419) = ( 0.1439394 0.3320425 0.8355779), wk = 0.0017123 k( 420) = ( 0.1477273 0.3249571 0.8436123), wk = 0.0017123 k( 421) = ( 0.1515151 0.3178716 0.8516467), wk = 0.0017123 k( 422) = ( 0.1553030 0.3107862 0.8596811), wk = 0.0017123 k( 423) = ( 0.1590909 0.3037007 0.8677155), wk = 0.0017123 k( 424) = ( 0.1628788 0.2966152 0.8757499), wk = 0.0017123 k( 425) = ( 0.1666667 0.2895298 0.8837843), wk = 0.0017123 k( 426) = ( 0.1704546 0.2824443 0.8918187), wk = 0.0017123 k( 427) = ( 0.1742424 0.2753589 0.8998531), wk = 0.0017123 k( 428) = ( 0.1780303 0.2682735 0.9078875), wk = 0.0017123 k( 429) = ( 0.1818182 0.2611880 0.9159219), wk = 0.0017123 k( 430) = ( 0.1856061 0.2541026 0.9239563), wk = 0.0017123 k( 431) = ( 0.1893939 0.2470171 0.9319907), wk = 0.0017123 k( 432) = ( 0.1931818 0.2399316 0.9400251), wk = 0.0017123 k( 433) = ( 0.1969697 0.2328462 0.9480595), wk = 0.0017123 k( 434) = ( 0.2007576 0.2257607 0.9560939), wk = 0.0017123 k( 435) = ( 0.2045454 0.2186753 0.9641283), wk = 0.0017123 k( 436) = ( 0.2083333 0.2115899 0.9721627), wk = 0.0017123 k( 437) = ( 0.2121212 0.2045044 0.9801971), wk = 0.0017123 k( 438) = ( 0.2159091 0.1974190 0.9882316), wk = 0.0017123 k( 439) = ( 0.2196970 0.1903335 0.9962660), wk = 0.0017123 k( 440) = ( 0.2234849 0.1832480 1.0043004), wk = 0.0017123 k( 441) = ( 0.2272727 0.1761626 1.0123348), wk = 0.0017123 k( 442) = ( 0.2310606 0.1690771 1.0203692), wk = 0.0017123 k( 443) = ( 0.2348485 0.1619917 1.0284036), wk = 0.0017123 k( 444) = ( 0.2386364 0.1549063 1.0364380), wk = 0.0017123 k( 445) = ( 0.2424242 0.1478208 1.0444724), wk = 0.0017123 k( 446) = ( 0.2462121 0.1407354 1.0525068), wk = 0.0017123 k( 447) = ( 0.2500000 0.1336499 1.0605412), wk = 0.0017123 k( 448) = ( 0.2500000 0.1336499 1.0605412), wk = 0.0017123 k( 449) = ( 0.2586207 0.1382585 1.0553153), wk = 0.0017123 k( 450) = ( 0.2672414 0.1428671 1.0500895), wk = 0.0017123 k( 451) = ( 0.2758621 0.1474758 1.0448636), wk = 0.0017123 k( 452) = ( 0.2844828 0.1520844 1.0396378), wk = 0.0017123 k( 453) = ( 0.2931034 0.1566930 1.0344119), wk = 0.0017123 k( 454) = ( 0.3017241 0.1613016 1.0291861), wk = 0.0017123 k( 455) = ( 0.3103448 0.1659102 1.0239602), wk = 0.0017123 k( 456) = ( 0.3189655 0.1705188 1.0187344), wk = 0.0017123 k( 457) = ( 0.3275862 0.1751275 1.0135086), wk = 0.0017123 k( 458) = ( 0.3362069 0.1797361 1.0082827), wk = 0.0017123 k( 459) = ( 0.3448276 0.1843447 1.0030569), wk = 0.0017123 k( 460) = ( 0.3534483 0.1889533 0.9978310), wk = 0.0017123 k( 461) = ( 0.3620690 0.1935619 0.9926052), wk = 0.0017123 k( 462) = ( 0.3706897 0.1981705 0.9873793), wk = 0.0017123 k( 463) = ( 0.3793103 0.2027792 0.9821534), wk = 0.0017123 k( 464) = ( 0.3879310 0.2073878 0.9769276), wk = 0.0017123 k( 465) = ( 0.3965517 0.2119964 0.9717017), wk = 0.0017123 k( 466) = ( 0.4051724 0.2166050 0.9664759), wk = 0.0017123 k( 467) = ( 0.4137931 0.2212136 0.9612500), wk = 0.0017123 k( 468) = ( 0.4224138 0.2258222 0.9560242), wk = 0.0017123 k( 469) = ( 0.4310345 0.2304309 0.9507983), wk = 0.0017123 k( 470) = ( 0.4396552 0.2350395 0.9455725), wk = 0.0017123 k( 471) = ( 0.4482759 0.2396481 0.9403467), wk = 0.0017123 k( 472) = ( 0.4568966 0.2442567 0.9351208), wk = 0.0017123 k( 473) = ( 0.4655172 0.2488653 0.9298950), wk = 0.0017123 k( 474) = ( 0.4741379 0.2534739 0.9246691), wk = 0.0017123 k( 475) = ( 0.4827586 0.2580826 0.9194433), wk = 0.0017123 k( 476) = ( 0.4913793 0.2626912 0.9142174), wk = 0.0017123 k( 477) = ( 0.5000000 0.2672998 0.9089916), wk = 0.0017123 k( 478) = ( 0.5000000 0.2672998 0.9089916), wk = 0.0017123 k( 479) = ( 0.5000000 0.2672998 0.8976292), wk = 0.0017123 k( 480) = ( 0.5000000 0.2672998 0.8862668), wk = 0.0017123 k( 481) = ( 0.5000000 0.2672998 0.8749044), wk = 0.0017123 k( 482) = ( 0.5000000 0.2672998 0.8635420), wk = 0.0017123 k( 483) = ( 0.5000000 0.2672998 0.8521796), wk = 0.0017123 k( 484) = ( 0.5000000 0.2672998 0.8408172), wk = 0.0017123 k( 485) = ( 0.5000000 0.2672998 0.8294548), wk = 0.0017123 k( 486) = ( 0.5000000 0.2672998 0.8180924), wk = 0.0017123 k( 487) = ( 0.5000000 0.2672998 0.8067300), wk = 0.0017123 k( 488) = ( 0.5000000 0.2672998 0.7953676), wk = 0.0017123 k( 489) = ( 0.5000000 0.2672998 0.7840052), wk = 0.0017123 k( 490) = ( 0.5000000 0.2672998 0.7726429), wk = 0.0017123 k( 491) = ( 0.5000000 0.2672998 0.7612804), wk = 0.0017123 k( 492) = ( 0.5000000 0.2672998 0.7499180), wk = 0.0017123 k( 493) = ( 0.5000000 0.2672998 0.7385557), wk = 0.0017123 k( 494) = ( 0.5000000 0.2672998 0.7271933), wk = 0.0017123 k( 495) = ( 0.5000000 0.2672998 0.7158309), wk = 0.0017123 k( 496) = ( 0.5000000 0.2672998 0.7044685), wk = 0.0017123 k( 497) = ( 0.5000000 0.2672998 0.6931061), wk = 0.0017123 k( 498) = ( 0.5000000 0.2672998 0.6817437), wk = 0.0017123 k( 499) = ( 0.5000000 0.2672998 0.6703813), wk = 0.0017123 k( 500) = ( 0.5000000 0.2672998 0.6590189), wk = 0.0017123 k( 501) = ( 0.5000000 0.2672998 0.6476565), wk = 0.0017123 k( 502) = ( 0.5000000 0.2672998 0.6362941), wk = 0.0017123 k( 503) = ( 0.5000000 0.2672998 0.6249317), wk = 0.0017123 k( 504) = ( 0.5000000 0.2672998 0.6135693), wk = 0.0017123 k( 505) = ( 0.5000000 0.2672998 0.6022069), wk = 0.0017123 k( 506) = ( 0.5000000 0.2672998 0.5908445), wk = 0.0017123 k( 507) = ( 0.5000000 0.2672998 0.5794821), wk = 0.0017123 k( 508) = ( 0.5000000 0.2672998 0.5681197), wk = 0.0017123 k( 509) = ( 0.5000000 0.2672998 0.5567574), wk = 0.0017123 k( 510) = ( 0.5000000 0.2672998 0.5453949), wk = 0.0017123 k( 511) = ( 0.5000000 0.2672998 0.5340326), wk = 0.0017123 k( 512) = ( 0.5000000 0.2672998 0.5226702), wk = 0.0017123 k( 513) = ( 0.5000000 0.2672998 0.5113078), wk = 0.0017123 k( 514) = ( 0.5000000 0.2672998 0.4999454), wk = 0.0017123 k( 515) = ( 0.5000000 0.2672998 0.4885830), wk = 0.0017123 k( 516) = ( 0.5000000 0.2672998 0.4772206), wk = 0.0017123 k( 517) = ( 0.5000000 0.2672998 0.4658582), wk = 0.0017123 k( 518) = ( 0.5000000 0.2672998 0.4544958), wk = 0.0017123 k( 519) = ( 0.5000000 0.2672998 0.4431334), wk = 0.0017123 k( 520) = ( 0.5000000 0.2672998 0.4317710), wk = 0.0017123 k( 521) = ( 0.5000000 0.2672998 0.4204086), wk = 0.0017123 k( 522) = ( 0.5000000 0.2672998 0.4090462), wk = 0.0017123 k( 523) = ( 0.5000000 0.2672998 0.3976838), wk = 0.0017123 k( 524) = ( 0.5000000 0.2672998 0.3863214), wk = 0.0017123 k( 525) = ( 0.5000000 0.2672998 0.3749590), wk = 0.0017123 k( 526) = ( 0.5000000 0.2672998 0.3635966), wk = 0.0017123 k( 527) = ( 0.5000000 0.2672998 0.3522342), wk = 0.0017123 k( 528) = ( 0.5000000 0.2672998 0.3408718), wk = 0.0017123 k( 529) = ( 0.5000000 0.2672998 0.3295094), wk = 0.0017123 k( 530) = ( 0.5000000 0.2672998 0.3181471), wk = 0.0017123 k( 531) = ( 0.5000000 0.2672998 0.3067847), wk = 0.0017123 k( 532) = ( 0.5000000 0.2672998 0.2954223), wk = 0.0017123 k( 533) = ( 0.5000000 0.2672998 0.2840599), wk = 0.0017123 k( 534) = ( 0.5000000 0.2672998 0.2726975), wk = 0.0017123 k( 535) = ( 0.5000000 0.2672998 0.2613351), wk = 0.0017123 k( 536) = ( 0.5000000 0.2672998 0.2499727), wk = 0.0017123 k( 537) = ( 0.5000000 0.2672998 0.2386103), wk = 0.0017123 k( 538) = ( 0.5000000 0.2672998 0.2272479), wk = 0.0017123 k( 539) = ( 0.5000000 0.2672998 0.2158855), wk = 0.0017123 k( 540) = ( 0.5000000 0.2672998 0.2045231), wk = 0.0017123 k( 541) = ( 0.5000000 0.2672998 0.1931607), wk = 0.0017123 k( 542) = ( 0.5000000 0.2672998 0.1817983), wk = 0.0017123 k( 543) = ( 0.5000000 0.2672998 0.1704359), wk = 0.0017123 k( 544) = ( 0.5000000 0.2672998 0.1590735), wk = 0.0017123 k( 545) = ( 0.5000000 0.2672998 0.1477111), wk = 0.0017123 k( 546) = ( 0.5000000 0.2672998 0.1363487), wk = 0.0017123 k( 547) = ( 0.5000000 0.2672998 0.1249863), wk = 0.0017123 k( 548) = ( 0.5000000 0.2672998 0.1136239), wk = 0.0017123 k( 549) = ( 0.5000000 0.2672998 0.1022616), wk = 0.0017123 k( 550) = ( 0.5000000 0.2672998 0.0908992), wk = 0.0017123 k( 551) = ( 0.5000000 0.2672998 0.0795368), wk = 0.0017123 k( 552) = ( 0.5000000 0.2672998 0.0681744), wk = 0.0017123 k( 553) = ( 0.5000000 0.2672998 0.0568120), wk = 0.0017123 k( 554) = ( 0.5000000 0.2672998 0.0454496), wk = 0.0017123 k( 555) = ( 0.5000000 0.2672998 0.0340872), wk = 0.0017123 k( 556) = ( 0.5000000 0.2672998 0.0227248), wk = 0.0017123 k( 557) = ( 0.5000000 0.2672998 0.0113624), wk = 0.0017123 k( 558) = ( 0.5000000 0.2672998 0.0000000), wk = 0.0017123 k( 559) = ( 0.0000000 0.0000000 1.0605412), wk = 0.0017123 k( 560) = ( 0.0100000 0.0053460 1.0605412), wk = 0.0017123 k( 561) = ( 0.0200000 0.0106920 1.0605412), wk = 0.0017123 k( 562) = ( 0.0300000 0.0160380 1.0605412), wk = 0.0017123 k( 563) = ( 0.0400000 0.0213840 1.0605412), wk = 0.0017123 k( 564) = ( 0.0500000 0.0267300 1.0605412), wk = 0.0017123 k( 565) = ( 0.0600000 0.0320760 1.0605412), wk = 0.0017123 k( 566) = ( 0.0700000 0.0374220 1.0605412), wk = 0.0017123 k( 567) = ( 0.0800000 0.0427680 1.0605412), wk = 0.0017123 k( 568) = ( 0.0900000 0.0481140 1.0605412), wk = 0.0017123 k( 569) = ( 0.1000000 0.0534600 1.0605412), wk = 0.0017123 k( 570) = ( 0.1100000 0.0588060 1.0605412), wk = 0.0017123 k( 571) = ( 0.1200000 0.0641520 1.0605412), wk = 0.0017123 k( 572) = ( 0.1300000 0.0694979 1.0605412), wk = 0.0017123 k( 573) = ( 0.1400000 0.0748439 1.0605412), wk = 0.0017123 k( 574) = ( 0.1500000 0.0801899 1.0605412), wk = 0.0017123 k( 575) = ( 0.1600000 0.0855359 1.0605412), wk = 0.0017123 k( 576) = ( 0.1700000 0.0908819 1.0605412), wk = 0.0017123 k( 577) = ( 0.1800000 0.0962279 1.0605412), wk = 0.0017123 k( 578) = ( 0.1900000 0.1015739 1.0605412), wk = 0.0017123 k( 579) = ( 0.2000000 0.1069199 1.0605412), wk = 0.0017123 k( 580) = ( 0.2100000 0.1122659 1.0605412), wk = 0.0017123 k( 581) = ( 0.2200000 0.1176119 1.0605412), wk = 0.0017123 k( 582) = ( 0.2300000 0.1229579 1.0605412), wk = 0.0017123 k( 583) = ( 0.2400000 0.1283039 1.0605412), wk = 0.0017123 k( 584) = ( 0.2500000 0.1336499 1.0605412), wk = 0.0017123 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017123 k( 2) = ( 0.0000000 0.0000000 0.0053763), wk = 0.0017123 k( 3) = ( 0.0000000 0.0000000 0.0107527), wk = 0.0017123 k( 4) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0017123 k( 5) = ( 0.0000000 0.0000000 0.0215054), wk = 0.0017123 k( 6) = ( 0.0000000 0.0000000 0.0268817), wk = 0.0017123 k( 7) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0017123 k( 8) = ( 0.0000000 0.0000000 0.0376344), wk = 0.0017123 k( 9) = ( 0.0000000 0.0000000 0.0430108), wk = 0.0017123 k( 10) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0017123 k( 11) = ( 0.0000000 0.0000000 0.0537634), wk = 0.0017123 k( 12) = ( 0.0000000 0.0000000 0.0591398), wk = 0.0017123 k( 13) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0017123 k( 14) = ( 0.0000000 0.0000000 0.0698925), wk = 0.0017123 k( 15) = ( 0.0000000 0.0000000 0.0752688), wk = 0.0017123 k( 16) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0017123 k( 17) = ( 0.0000000 0.0000000 0.0860215), wk = 0.0017123 k( 18) = ( 0.0000000 0.0000000 0.0913979), wk = 0.0017123 k( 19) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0017123 k( 20) = ( 0.0000000 0.0000000 0.1021505), wk = 0.0017123 k( 21) = ( 0.0000000 0.0000000 0.1075269), wk = 0.0017123 k( 22) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0017123 k( 23) = ( 0.0000000 0.0000000 0.1182796), wk = 0.0017123 k( 24) = ( 0.0000000 0.0000000 0.1236559), wk = 0.0017123 k( 25) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0017123 k( 26) = ( 0.0000000 0.0000000 0.1344086), wk = 0.0017123 k( 27) = ( 0.0000000 0.0000000 0.1397849), wk = 0.0017123 k( 28) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0017123 k( 29) = ( 0.0000000 0.0000000 0.1505376), wk = 0.0017123 k( 30) = ( 0.0000000 0.0000000 0.1559140), wk = 0.0017123 k( 31) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0017123 k( 32) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0017123 k( 33) = ( 0.0000000 0.0000000 0.1720430), wk = 0.0017123 k( 34) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0017123 k( 35) = ( 0.0000000 0.0000000 0.1827957), wk = 0.0017123 k( 36) = ( 0.0000000 0.0000000 0.1881720), wk = 0.0017123 k( 37) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0017123 k( 38) = ( 0.0000000 0.0000000 0.1989247), wk = 0.0017123 k( 39) = ( 0.0000000 0.0000000 0.2043011), wk = 0.0017123 k( 40) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0017123 k( 41) = ( 0.0000000 0.0000000 0.2150538), wk = 0.0017123 k( 42) = ( 0.0000000 0.0000000 0.2204301), wk = 0.0017123 k( 43) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0017123 k( 44) = ( 0.0000000 0.0000000 0.2311828), wk = 0.0017123 k( 45) = ( 0.0000000 0.0000000 0.2365591), wk = 0.0017123 k( 46) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0017123 k( 47) = ( 0.0000000 0.0000000 0.2473118), wk = 0.0017123 k( 48) = ( 0.0000000 0.0000000 0.2526882), wk = 0.0017123 k( 49) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0017123 k( 50) = ( 0.0000000 0.0000000 0.2634409), wk = 0.0017123 k( 51) = ( 0.0000000 0.0000000 0.2688172), wk = 0.0017123 k( 52) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0017123 k( 53) = ( 0.0000000 0.0000000 0.2795699), wk = 0.0017123 k( 54) = ( 0.0000000 0.0000000 0.2849462), wk = 0.0017123 k( 55) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0017123 k( 56) = ( 0.0000000 0.0000000 0.2956989), wk = 0.0017123 k( 57) = ( 0.0000000 0.0000000 0.3010753), wk = 0.0017123 k( 58) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0017123 k( 59) = ( 0.0000000 0.0000000 0.3118280), wk = 0.0017123 k( 60) = ( 0.0000000 0.0000000 0.3172043), wk = 0.0017123 k( 61) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0017123 k( 62) = ( 0.0000000 0.0000000 0.3279570), wk = 0.0017123 k( 63) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0017123 k( 64) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0017123 k( 65) = ( 0.0000000 0.0000000 0.3440860), wk = 0.0017123 k( 66) = ( 0.0000000 0.0000000 0.3494624), wk = 0.0017123 k( 67) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0017123 k( 68) = ( 0.0000000 0.0000000 0.3602150), wk = 0.0017123 k( 69) = ( 0.0000000 0.0000000 0.3655914), wk = 0.0017123 k( 70) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0017123 k( 71) = ( 0.0000000 0.0000000 0.3763441), wk = 0.0017123 k( 72) = ( 0.0000000 0.0000000 0.3817204), wk = 0.0017123 k( 73) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0017123 k( 74) = ( 0.0000000 0.0000000 0.3924731), wk = 0.0017123 k( 75) = ( 0.0000000 0.0000000 0.3978495), wk = 0.0017123 k( 76) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0017123 k( 77) = ( 0.0000000 0.0000000 0.4086021), wk = 0.0017123 k( 78) = ( 0.0000000 0.0000000 0.4139785), wk = 0.0017123 k( 79) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0017123 k( 80) = ( 0.0000000 0.0000000 0.4247312), wk = 0.0017123 k( 81) = ( 0.0000000 0.0000000 0.4301075), wk = 0.0017123 k( 82) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0017123 k( 83) = ( 0.0000000 0.0000000 0.4408602), wk = 0.0017123 k( 84) = ( 0.0000000 0.0000000 0.4462366), wk = 0.0017123 k( 85) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0017123 k( 86) = ( 0.0000000 0.0000000 0.4569893), wk = 0.0017123 k( 87) = ( 0.0000000 0.0000000 0.4623656), wk = 0.0017123 k( 88) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0017123 k( 89) = ( 0.0000000 0.0000000 0.4731183), wk = 0.0017123 k( 90) = ( 0.0000000 0.0000000 0.4784946), wk = 0.0017123 k( 91) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0017123 k( 92) = ( 0.0000000 0.0000000 0.4892473), wk = 0.0017123 k( 93) = ( 0.0000000 0.0000000 0.4946237), wk = 0.0017123 k( 94) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017123 k( 95) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017123 k( 96) = ( -0.0051035 0.0051035 0.5000000), wk = 0.0017123 k( 97) = ( -0.0102070 0.0102070 0.5000000), wk = 0.0017123 k( 98) = ( -0.0153105 0.0153105 0.5000000), wk = 0.0017123 k( 99) = ( -0.0204140 0.0204141 0.5000000), wk = 0.0017123 k( 100) = ( -0.0255176 0.0255176 0.5000000), wk = 0.0017123 k( 101) = ( -0.0306211 0.0306211 0.5000000), wk = 0.0017123 k( 102) = ( -0.0357246 0.0357246 0.5000000), wk = 0.0017123 k( 103) = ( -0.0408281 0.0408281 0.5000000), wk = 0.0017123 k( 104) = ( -0.0459316 0.0459316 0.5000000), wk = 0.0017123 k( 105) = ( -0.0510351 0.0510351 0.5000000), wk = 0.0017123 k( 106) = ( -0.0561386 0.0561386 0.5000000), wk = 0.0017123 k( 107) = ( -0.0612422 0.0612422 0.5000000), wk = 0.0017123 k( 108) = ( -0.0663457 0.0663457 0.5000000), wk = 0.0017123 k( 109) = ( -0.0714492 0.0714492 0.5000000), wk = 0.0017123 k( 110) = ( -0.0714492 0.0714492 0.5000000), wk = 0.0017123 k( 111) = ( -0.0752084 0.0752084 0.4962408), wk = 0.0017123 k( 112) = ( -0.0789676 0.0789676 0.4924816), wk = 0.0017123 k( 113) = ( -0.0827268 0.0827268 0.4887224), wk = 0.0017123 k( 114) = ( -0.0864860 0.0864860 0.4849631), wk = 0.0017123 k( 115) = ( -0.0902453 0.0902453 0.4812039), wk = 0.0017123 k( 116) = ( -0.0940045 0.0940045 0.4774447), wk = 0.0017123 k( 117) = ( -0.0977637 0.0977637 0.4736855), wk = 0.0017123 k( 118) = ( -0.1015229 0.1015229 0.4699263), wk = 0.0017123 k( 119) = ( -0.1052821 0.1052821 0.4661670), wk = 0.0017123 k( 120) = ( -0.1090414 0.1090414 0.4624078), wk = 0.0017123 k( 121) = ( -0.1128006 0.1128006 0.4586486), wk = 0.0017123 k( 122) = ( -0.1165598 0.1165598 0.4548894), wk = 0.0017123 k( 123) = ( -0.1203190 0.1203190 0.4511302), wk = 0.0017123 k( 124) = ( -0.1240782 0.1240782 0.4473709), wk = 0.0017123 k( 125) = ( -0.1278374 0.1278374 0.4436117), wk = 0.0017123 k( 126) = ( -0.1315967 0.1315967 0.4398525), wk = 0.0017123 k( 127) = ( -0.1353559 0.1353559 0.4360933), wk = 0.0017123 k( 128) = ( -0.1391151 0.1391151 0.4323341), wk = 0.0017123 k( 129) = ( -0.1428743 0.1428743 0.4285749), wk = 0.0017123 k( 130) = ( -0.1466335 0.1466335 0.4248157), wk = 0.0017123 k( 131) = ( -0.1503927 0.1503928 0.4210564), wk = 0.0017123 k( 132) = ( -0.1541520 0.1541520 0.4172972), wk = 0.0017123 k( 133) = ( -0.1579112 0.1579112 0.4135380), wk = 0.0017123 k( 134) = ( -0.1616704 0.1616704 0.4097788), wk = 0.0017123 k( 135) = ( -0.1654296 0.1654296 0.4060196), wk = 0.0017123 k( 136) = ( -0.1691888 0.1691888 0.4022603), wk = 0.0017123 k( 137) = ( -0.1729481 0.1729481 0.3985011), wk = 0.0017123 k( 138) = ( -0.1767073 0.1767073 0.3947419), wk = 0.0017123 k( 139) = ( -0.1804665 0.1804665 0.3909827), wk = 0.0017123 k( 140) = ( -0.1842257 0.1842257 0.3872235), wk = 0.0017123 k( 141) = ( -0.1879849 0.1879849 0.3834643), wk = 0.0017123 k( 142) = ( -0.1917442 0.1917442 0.3797050), wk = 0.0017123 k( 143) = ( -0.1955034 0.1955034 0.3759458), wk = 0.0017123 k( 144) = ( -0.1992626 0.1992626 0.3721866), wk = 0.0017123 k( 145) = ( -0.2030218 0.2030218 0.3684274), wk = 0.0017123 k( 146) = ( -0.2067810 0.2067810 0.3646682), wk = 0.0017123 k( 147) = ( -0.2105402 0.2105402 0.3609090), wk = 0.0017123 k( 148) = ( -0.2142995 0.2142995 0.3571497), wk = 0.0017123 k( 149) = ( -0.2180587 0.2180587 0.3533905), wk = 0.0017123 k( 150) = ( -0.2218179 0.2218179 0.3496313), wk = 0.0017123 k( 151) = ( -0.2255771 0.2255771 0.3458721), wk = 0.0017123 k( 152) = ( -0.2293363 0.2293363 0.3421129), wk = 0.0017123 k( 153) = ( -0.2330955 0.2330955 0.3383536), wk = 0.0017123 k( 154) = ( -0.2368548 0.2368548 0.3345944), wk = 0.0017123 k( 155) = ( -0.2406140 0.2406140 0.3308352), wk = 0.0017123 k( 156) = ( -0.2443732 0.2443732 0.3270760), wk = 0.0017123 k( 157) = ( -0.2481324 0.2481324 0.3233168), wk = 0.0017123 k( 158) = ( -0.2518916 0.2518916 0.3195576), wk = 0.0017123 k( 159) = ( -0.2556508 0.2556508 0.3157983), wk = 0.0017123 k( 160) = ( -0.2594101 0.2594101 0.3120391), wk = 0.0017123 k( 161) = ( -0.2631693 0.2631693 0.3082799), wk = 0.0017123 k( 162) = ( -0.2669285 0.2669285 0.3045207), wk = 0.0017123 k( 163) = ( -0.2706877 0.2706877 0.3007615), wk = 0.0017123 k( 164) = ( -0.2744469 0.2744469 0.2970022), wk = 0.0017123 k( 165) = ( -0.2782062 0.2782062 0.2932430), wk = 0.0017123 k( 166) = ( -0.2819654 0.2819654 0.2894838), wk = 0.0017123 k( 167) = ( -0.2857246 0.2857246 0.2857246), wk = 0.0017123 k( 168) = ( -0.2857246 0.2857246 0.2857246), wk = 0.0017123 k( 169) = ( -0.2819149 0.2819149 0.2819149), wk = 0.0017123 k( 170) = ( -0.2781053 0.2781053 0.2781053), wk = 0.0017123 k( 171) = ( -0.2742956 0.2742956 0.2742956), wk = 0.0017123 k( 172) = ( -0.2704859 0.2704859 0.2704859), wk = 0.0017123 k( 173) = ( -0.2666763 0.2666763 0.2666763), wk = 0.0017123 k( 174) = ( -0.2628666 0.2628666 0.2628666), wk = 0.0017123 k( 175) = ( -0.2590570 0.2590570 0.2590570), wk = 0.0017123 k( 176) = ( -0.2552473 0.2552473 0.2552473), wk = 0.0017123 k( 177) = ( -0.2514376 0.2514376 0.2514376), wk = 0.0017123 k( 178) = ( -0.2476280 0.2476280 0.2476280), wk = 0.0017123 k( 179) = ( -0.2438183 0.2438183 0.2438183), wk = 0.0017123 k( 180) = ( -0.2400087 0.2400087 0.2400087), wk = 0.0017123 k( 181) = ( -0.2361990 0.2361990 0.2361990), wk = 0.0017123 k( 182) = ( -0.2323893 0.2323893 0.2323893), wk = 0.0017123 k( 183) = ( -0.2285797 0.2285797 0.2285797), wk = 0.0017123 k( 184) = ( -0.2247700 0.2247700 0.2247700), wk = 0.0017123 k( 185) = ( -0.2209603 0.2209604 0.2209603), wk = 0.0017123 k( 186) = ( -0.2171507 0.2171507 0.2171507), wk = 0.0017123 k( 187) = ( -0.2133410 0.2133410 0.2133410), wk = 0.0017123 k( 188) = ( -0.2095314 0.2095314 0.2095314), wk = 0.0017123 k( 189) = ( -0.2057217 0.2057217 0.2057217), wk = 0.0017123 k( 190) = ( -0.2019120 0.2019120 0.2019120), wk = 0.0017123 k( 191) = ( -0.1981024 0.1981024 0.1981024), wk = 0.0017123 k( 192) = ( -0.1942927 0.1942927 0.1942927), wk = 0.0017123 k( 193) = ( -0.1904831 0.1904831 0.1904831), wk = 0.0017123 k( 194) = ( -0.1866734 0.1866734 0.1866734), wk = 0.0017123 k( 195) = ( -0.1828637 0.1828637 0.1828637), wk = 0.0017123 k( 196) = ( -0.1790541 0.1790541 0.1790541), wk = 0.0017123 k( 197) = ( -0.1752444 0.1752444 0.1752444), wk = 0.0017123 k( 198) = ( -0.1714347 0.1714348 0.1714347), wk = 0.0017123 k( 199) = ( -0.1676251 0.1676251 0.1676251), wk = 0.0017123 k( 200) = ( -0.1638154 0.1638154 0.1638154), wk = 0.0017123 k( 201) = ( -0.1600058 0.1600058 0.1600058), wk = 0.0017123 k( 202) = ( -0.1561961 0.1561961 0.1561961), wk = 0.0017123 k( 203) = ( -0.1523865 0.1523865 0.1523864), wk = 0.0017123 k( 204) = ( -0.1485768 0.1485768 0.1485768), wk = 0.0017123 k( 205) = ( -0.1447671 0.1447671 0.1447671), wk = 0.0017123 k( 206) = ( -0.1409575 0.1409575 0.1409575), wk = 0.0017123 k( 207) = ( -0.1371478 0.1371478 0.1371478), wk = 0.0017123 k( 208) = ( -0.1333381 0.1333381 0.1333381), wk = 0.0017123 k( 209) = ( -0.1295285 0.1295285 0.1295285), wk = 0.0017123 k( 210) = ( -0.1257188 0.1257188 0.1257188), wk = 0.0017123 k( 211) = ( -0.1219092 0.1219092 0.1219092), wk = 0.0017123 k( 212) = ( -0.1180995 0.1180995 0.1180995), wk = 0.0017123 k( 213) = ( -0.1142898 0.1142898 0.1142898), wk = 0.0017123 k( 214) = ( -0.1104802 0.1104802 0.1104802), wk = 0.0017123 k( 215) = ( -0.1066705 0.1066705 0.1066705), wk = 0.0017123 k( 216) = ( -0.1028609 0.1028609 0.1028609), wk = 0.0017123 k( 217) = ( -0.0990512 0.0990512 0.0990512), wk = 0.0017123 k( 218) = ( -0.0952415 0.0952415 0.0952415), wk = 0.0017123 k( 219) = ( -0.0914319 0.0914319 0.0914319), wk = 0.0017123 k( 220) = ( -0.0876222 0.0876222 0.0876222), wk = 0.0017123 k( 221) = ( -0.0838125 0.0838126 0.0838125), wk = 0.0017123 k( 222) = ( -0.0800029 0.0800029 0.0800029), wk = 0.0017123 k( 223) = ( -0.0761932 0.0761932 0.0761932), wk = 0.0017123 k( 224) = ( -0.0723836 0.0723836 0.0723836), wk = 0.0017123 k( 225) = ( -0.0685739 0.0685739 0.0685739), wk = 0.0017123 k( 226) = ( -0.0647642 0.0647642 0.0647642), wk = 0.0017123 k( 227) = ( -0.0609546 0.0609546 0.0609546), wk = 0.0017123 k( 228) = ( -0.0571449 0.0571449 0.0571449), wk = 0.0017123 k( 229) = ( -0.0533353 0.0533353 0.0533353), wk = 0.0017123 k( 230) = ( -0.0495256 0.0495256 0.0495256), wk = 0.0017123 k( 231) = ( -0.0457159 0.0457159 0.0457159), wk = 0.0017123 k( 232) = ( -0.0419063 0.0419063 0.0419063), wk = 0.0017123 k( 233) = ( -0.0380966 0.0380966 0.0380966), wk = 0.0017123 k( 234) = ( -0.0342869 0.0342869 0.0342869), wk = 0.0017123 k( 235) = ( -0.0304773 0.0304773 0.0304773), wk = 0.0017123 k( 236) = ( -0.0266676 0.0266676 0.0266676), wk = 0.0017123 k( 237) = ( -0.0228580 0.0228580 0.0228580), wk = 0.0017123 k( 238) = ( -0.0190483 0.0190483 0.0190483), wk = 0.0017123 k( 239) = ( -0.0152386 0.0152386 0.0152386), wk = 0.0017123 k( 240) = ( -0.0114290 0.0114290 0.0114290), wk = 0.0017123 k( 241) = ( -0.0076193 0.0076193 0.0076193), wk = 0.0017123 k( 242) = ( -0.0038097 0.0038097 0.0038097), wk = 0.0017123 k( 243) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017123 k( 244) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017123 k( 245) = ( 0.0100000 0.0100000 -0.0100000), wk = 0.0017123 k( 246) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0017123 k( 247) = ( 0.0300000 0.0300000 -0.0300000), wk = 0.0017123 k( 248) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0017123 k( 249) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0017123 k( 250) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0017123 k( 251) = ( 0.0700000 0.0700000 -0.0700000), wk = 0.0017123 k( 252) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0017123 k( 253) = ( 0.0900000 0.0900000 -0.0900000), wk = 0.0017123 k( 254) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0017123 k( 255) = ( 0.1100000 0.1100000 -0.1100000), wk = 0.0017123 k( 256) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0017123 k( 257) = ( 0.1300000 0.1300000 -0.1300000), wk = 0.0017123 k( 258) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0017123 k( 259) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0017123 k( 260) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0017123 k( 261) = ( 0.1700000 0.1700000 -0.1700000), wk = 0.0017123 k( 262) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0017123 k( 263) = ( 0.1900000 0.1900000 -0.1900000), wk = 0.0017123 k( 264) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0017123 k( 265) = ( 0.2100000 0.2100000 -0.2100000), wk = 0.0017123 k( 266) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0017123 k( 267) = ( 0.2300000 0.2300000 -0.2300000), wk = 0.0017123 k( 268) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0017123 k( 269) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0017123 k( 270) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0017123 k( 271) = ( 0.2700000 0.2700000 -0.2700000), wk = 0.0017123 k( 272) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0017123 k( 273) = ( 0.2900000 0.2900000 -0.2900000), wk = 0.0017123 k( 274) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0017123 k( 275) = ( 0.3100000 0.3100000 -0.3100000), wk = 0.0017123 k( 276) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0017123 k( 277) = ( 0.3300000 0.3300000 -0.3300000), wk = 0.0017123 k( 278) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0017123 k( 279) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0017123 k( 280) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0017123 k( 281) = ( 0.3700000 0.3700000 -0.3700000), wk = 0.0017123 k( 282) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0017123 k( 283) = ( 0.3900000 0.3900000 -0.3900000), wk = 0.0017123 k( 284) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0017123 k( 285) = ( 0.4100000 0.4100000 -0.4100000), wk = 0.0017123 k( 286) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0017123 k( 287) = ( 0.4300000 0.4300000 -0.4300000), wk = 0.0017123 k( 288) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0017123 k( 289) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0017123 k( 290) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0017123 k( 291) = ( 0.4700000 0.4700000 -0.4700000), wk = 0.0017123 k( 292) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0017123 k( 293) = ( 0.4900000 0.4900000 -0.4900000), wk = 0.0017123 k( 294) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0017123 k( 295) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0017123 k( 296) = ( 0.4962408 0.5037592 -0.4962408), wk = 0.0017123 k( 297) = ( 0.4924816 0.5075184 -0.4924816), wk = 0.0017123 k( 298) = ( 0.4887224 0.5112777 -0.4887224), wk = 0.0017123 k( 299) = ( 0.4849631 0.5150369 -0.4849631), wk = 0.0017123 k( 300) = ( 0.4812039 0.5187961 -0.4812039), wk = 0.0017123 k( 301) = ( 0.4774447 0.5225553 -0.4774447), wk = 0.0017123 k( 302) = ( 0.4736855 0.5263145 -0.4736855), wk = 0.0017123 k( 303) = ( 0.4699263 0.5300737 -0.4699263), wk = 0.0017123 k( 304) = ( 0.4661670 0.5338330 -0.4661670), wk = 0.0017123 k( 305) = ( 0.4624078 0.5375922 -0.4624078), wk = 0.0017123 k( 306) = ( 0.4586486 0.5413514 -0.4586486), wk = 0.0017123 k( 307) = ( 0.4548894 0.5451106 -0.4548894), wk = 0.0017123 k( 308) = ( 0.4511302 0.5488698 -0.4511302), wk = 0.0017123 k( 309) = ( 0.4473709 0.5526290 -0.4473709), wk = 0.0017123 k( 310) = ( 0.4436117 0.5563883 -0.4436117), wk = 0.0017123 k( 311) = ( 0.4398525 0.5601475 -0.4398525), wk = 0.0017123 k( 312) = ( 0.4360933 0.5639067 -0.4360933), wk = 0.0017123 k( 313) = ( 0.4323341 0.5676659 -0.4323341), wk = 0.0017123 k( 314) = ( 0.4285749 0.5714251 -0.4285749), wk = 0.0017123 k( 315) = ( 0.4248156 0.5751844 -0.4248156), wk = 0.0017123 k( 316) = ( 0.4210564 0.5789436 -0.4210564), wk = 0.0017123 k( 317) = ( 0.4172972 0.5827028 -0.4172972), wk = 0.0017123 k( 318) = ( 0.4135380 0.5864620 -0.4135380), wk = 0.0017123 k( 319) = ( 0.4097788 0.5902212 -0.4097788), wk = 0.0017123 k( 320) = ( 0.4060196 0.5939804 -0.4060196), wk = 0.0017123 k( 321) = ( 0.4022603 0.5977397 -0.4022603), wk = 0.0017123 k( 322) = ( 0.3985011 0.6014989 -0.3985011), wk = 0.0017123 k( 323) = ( 0.3947419 0.6052581 -0.3947419), wk = 0.0017123 k( 324) = ( 0.3909827 0.6090173 -0.3909827), wk = 0.0017123 k( 325) = ( 0.3872235 0.6127765 -0.3872235), wk = 0.0017123 k( 326) = ( 0.3834643 0.6165358 -0.3834643), wk = 0.0017123 k( 327) = ( 0.3797050 0.6202950 -0.3797050), wk = 0.0017123 k( 328) = ( 0.3759458 0.6240542 -0.3759458), wk = 0.0017123 k( 329) = ( 0.3721866 0.6278134 -0.3721866), wk = 0.0017123 k( 330) = ( 0.3684274 0.6315726 -0.3684274), wk = 0.0017123 k( 331) = ( 0.3646682 0.6353318 -0.3646682), wk = 0.0017123 k( 332) = ( 0.3609090 0.6390910 -0.3609090), wk = 0.0017123 k( 333) = ( 0.3571497 0.6428503 -0.3571497), wk = 0.0017123 k( 334) = ( 0.3533905 0.6466095 -0.3533905), wk = 0.0017123 k( 335) = ( 0.3496313 0.6503687 -0.3496313), wk = 0.0017123 k( 336) = ( 0.3458721 0.6541279 -0.3458721), wk = 0.0017123 k( 337) = ( 0.3421129 0.6578871 -0.3421129), wk = 0.0017123 k( 338) = ( 0.3383536 0.6616464 -0.3383536), wk = 0.0017123 k( 339) = ( 0.3345944 0.6654056 -0.3345944), wk = 0.0017123 k( 340) = ( 0.3308352 0.6691648 -0.3308352), wk = 0.0017123 k( 341) = ( 0.3270760 0.6729240 -0.3270760), wk = 0.0017123 k( 342) = ( 0.3233168 0.6766832 -0.3233168), wk = 0.0017123 k( 343) = ( 0.3195576 0.6804425 -0.3195576), wk = 0.0017123 k( 344) = ( 0.3157983 0.6842017 -0.3157983), wk = 0.0017123 k( 345) = ( 0.3120391 0.6879609 -0.3120391), wk = 0.0017123 k( 346) = ( 0.3082799 0.6917201 -0.3082799), wk = 0.0017123 k( 347) = ( 0.3045207 0.6954793 -0.3045207), wk = 0.0017123 k( 348) = ( 0.3007615 0.6992385 -0.3007615), wk = 0.0017123 k( 349) = ( 0.2970022 0.7029978 -0.2970022), wk = 0.0017123 k( 350) = ( 0.2932430 0.7067570 -0.2932430), wk = 0.0017123 k( 351) = ( 0.2894838 0.7105162 -0.2894838), wk = 0.0017123 k( 352) = ( 0.2857246 0.7142754 -0.2857246), wk = 0.0017123 k( 353) = ( 0.2857246 0.7142754 -0.2857246), wk = 0.0017123 k( 354) = ( 0.2751422 0.7063393 -0.2751422), wk = 0.0017123 k( 355) = ( 0.2645598 0.6984032 -0.2645598), wk = 0.0017123 k( 356) = ( 0.2539774 0.6904670 -0.2539774), wk = 0.0017123 k( 357) = ( 0.2433950 0.6825309 -0.2433950), wk = 0.0017123 k( 358) = ( 0.2328126 0.6745948 -0.2328126), wk = 0.0017123 k( 359) = ( 0.2222302 0.6666587 -0.2222302), wk = 0.0017123 k( 360) = ( 0.2116478 0.6587225 -0.2116479), wk = 0.0017123 k( 361) = ( 0.2010655 0.6507864 -0.2010655), wk = 0.0017123 k( 362) = ( 0.1904831 0.6428503 -0.1904831), wk = 0.0017123 k( 363) = ( 0.1799007 0.6349142 -0.1799007), wk = 0.0017123 k( 364) = ( 0.1693183 0.6269780 -0.1693183), wk = 0.0017123 k( 365) = ( 0.1587359 0.6190419 -0.1587359), wk = 0.0017123 k( 366) = ( 0.1481535 0.6111058 -0.1481535), wk = 0.0017123 k( 367) = ( 0.1375711 0.6031696 -0.1375711), wk = 0.0017123 k( 368) = ( 0.1269887 0.5952335 -0.1269887), wk = 0.0017123 k( 369) = ( 0.1164063 0.5872974 -0.1164063), wk = 0.0017123 k( 370) = ( 0.1058239 0.5793613 -0.1058239), wk = 0.0017123 k( 371) = ( 0.0952415 0.5714251 -0.0952415), wk = 0.0017123 k( 372) = ( 0.0846591 0.5634890 -0.0846591), wk = 0.0017123 k( 373) = ( 0.0740767 0.5555529 -0.0740768), wk = 0.0017123 k( 374) = ( 0.0634944 0.5476168 -0.0634944), wk = 0.0017123 k( 375) = ( 0.0529120 0.5396806 -0.0529120), wk = 0.0017123 k( 376) = ( 0.0423296 0.5317445 -0.0423296), wk = 0.0017123 k( 377) = ( 0.0317472 0.5238084 -0.0317472), wk = 0.0017123 k( 378) = ( 0.0211648 0.5158723 -0.0211648), wk = 0.0017123 k( 379) = ( 0.0105824 0.5079361 -0.0105824), wk = 0.0017123 k( 380) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017123 k( 381) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017123 k( 382) = ( 0.0037879 0.4962121 0.0037879), wk = 0.0017123 k( 383) = ( 0.0075758 0.4924242 0.0075758), wk = 0.0017123 k( 384) = ( 0.0113636 0.4886364 0.0113636), wk = 0.0017123 k( 385) = ( 0.0151515 0.4848485 0.0151515), wk = 0.0017123 k( 386) = ( 0.0189394 0.4810606 0.0189394), wk = 0.0017123 k( 387) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0017123 k( 388) = ( 0.0265152 0.4734849 0.0265152), wk = 0.0017123 k( 389) = ( 0.0303030 0.4696970 0.0303030), wk = 0.0017123 k( 390) = ( 0.0340909 0.4659091 0.0340909), wk = 0.0017123 k( 391) = ( 0.0378788 0.4621212 0.0378788), wk = 0.0017123 k( 392) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0017123 k( 393) = ( 0.0454546 0.4545455 0.0454546), wk = 0.0017123 k( 394) = ( 0.0492424 0.4507576 0.0492424), wk = 0.0017123 k( 395) = ( 0.0530303 0.4469697 0.0530303), wk = 0.0017123 k( 396) = ( 0.0568182 0.4431818 0.0568182), wk = 0.0017123 k( 397) = ( 0.0606061 0.4393939 0.0606061), wk = 0.0017123 k( 398) = ( 0.0643939 0.4356061 0.0643939), wk = 0.0017123 k( 399) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0017123 k( 400) = ( 0.0719697 0.4280303 0.0719697), wk = 0.0017123 k( 401) = ( 0.0757576 0.4242424 0.0757576), wk = 0.0017123 k( 402) = ( 0.0795455 0.4204545 0.0795455), wk = 0.0017123 k( 403) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0017123 k( 404) = ( 0.0871212 0.4128788 0.0871212), wk = 0.0017123 k( 405) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0017123 k( 406) = ( 0.0946970 0.4053030 0.0946970), wk = 0.0017123 k( 407) = ( 0.0984848 0.4015152 0.0984848), wk = 0.0017123 k( 408) = ( 0.1022727 0.3977273 0.1022727), wk = 0.0017123 k( 409) = ( 0.1060606 0.3939394 0.1060606), wk = 0.0017123 k( 410) = ( 0.1098485 0.3901515 0.1098485), wk = 0.0017123 k( 411) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0017123 k( 412) = ( 0.1174242 0.3825758 0.1174242), wk = 0.0017123 k( 413) = ( 0.1212121 0.3787879 0.1212121), wk = 0.0017123 k( 414) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0017123 k( 415) = ( 0.1287879 0.3712121 0.1287879), wk = 0.0017123 k( 416) = ( 0.1325758 0.3674242 0.1325758), wk = 0.0017123 k( 417) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0017123 k( 418) = ( 0.1401515 0.3598485 0.1401515), wk = 0.0017123 k( 419) = ( 0.1439394 0.3560606 0.1439394), wk = 0.0017123 k( 420) = ( 0.1477273 0.3522727 0.1477273), wk = 0.0017123 k( 421) = ( 0.1515151 0.3484849 0.1515152), wk = 0.0017123 k( 422) = ( 0.1553030 0.3446970 0.1553030), wk = 0.0017123 k( 423) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0017123 k( 424) = ( 0.1628788 0.3371212 0.1628788), wk = 0.0017123 k( 425) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0017123 k( 426) = ( 0.1704546 0.3295455 0.1704546), wk = 0.0017123 k( 427) = ( 0.1742424 0.3257576 0.1742424), wk = 0.0017123 k( 428) = ( 0.1780303 0.3219697 0.1780303), wk = 0.0017123 k( 429) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0017123 k( 430) = ( 0.1856061 0.3143939 0.1856061), wk = 0.0017123 k( 431) = ( 0.1893939 0.3106061 0.1893939), wk = 0.0017123 k( 432) = ( 0.1931818 0.3068182 0.1931818), wk = 0.0017123 k( 433) = ( 0.1969697 0.3030303 0.1969697), wk = 0.0017123 k( 434) = ( 0.2007576 0.2992424 0.2007576), wk = 0.0017123 k( 435) = ( 0.2045454 0.2954545 0.2045455), wk = 0.0017123 k( 436) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0017123 k( 437) = ( 0.2121212 0.2878788 0.2121212), wk = 0.0017123 k( 438) = ( 0.2159091 0.2840909 0.2159091), wk = 0.0017123 k( 439) = ( 0.2196970 0.2803030 0.2196970), wk = 0.0017123 k( 440) = ( 0.2234849 0.2765151 0.2234849), wk = 0.0017123 k( 441) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0017123 k( 442) = ( 0.2310606 0.2689394 0.2310606), wk = 0.0017123 k( 443) = ( 0.2348485 0.2651515 0.2348485), wk = 0.0017123 k( 444) = ( 0.2386364 0.2613636 0.2386364), wk = 0.0017123 k( 445) = ( 0.2424242 0.2575758 0.2424242), wk = 0.0017123 k( 446) = ( 0.2462121 0.2537879 0.2462121), wk = 0.0017123 k( 447) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017123 k( 448) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017123 k( 449) = ( 0.2586207 0.2586207 0.2389155), wk = 0.0017123 k( 450) = ( 0.2672414 0.2672414 0.2278311), wk = 0.0017123 k( 451) = ( 0.2758621 0.2758621 0.2167466), wk = 0.0017123 k( 452) = ( 0.2844828 0.2844828 0.2056622), wk = 0.0017123 k( 453) = ( 0.2931034 0.2931034 0.1945777), wk = 0.0017123 k( 454) = ( 0.3017241 0.3017241 0.1834933), wk = 0.0017123 k( 455) = ( 0.3103448 0.3103448 0.1724088), wk = 0.0017123 k( 456) = ( 0.3189655 0.3189655 0.1613244), wk = 0.0017123 k( 457) = ( 0.3275862 0.3275862 0.1502399), wk = 0.0017123 k( 458) = ( 0.3362069 0.3362069 0.1391555), wk = 0.0017123 k( 459) = ( 0.3448276 0.3448276 0.1280710), wk = 0.0017123 k( 460) = ( 0.3534483 0.3534483 0.1169865), wk = 0.0017123 k( 461) = ( 0.3620690 0.3620690 0.1059021), wk = 0.0017123 k( 462) = ( 0.3706897 0.3706897 0.0948176), wk = 0.0017123 k( 463) = ( 0.3793103 0.3793103 0.0837332), wk = 0.0017123 k( 464) = ( 0.3879310 0.3879310 0.0726487), wk = 0.0017123 k( 465) = ( 0.3965517 0.3965517 0.0615643), wk = 0.0017123 k( 466) = ( 0.4051724 0.4051724 0.0504798), wk = 0.0017123 k( 467) = ( 0.4137931 0.4137931 0.0393954), wk = 0.0017123 k( 468) = ( 0.4224138 0.4224138 0.0283109), wk = 0.0017123 k( 469) = ( 0.4310345 0.4310345 0.0172264), wk = 0.0017123 k( 470) = ( 0.4396552 0.4396552 0.0061420), wk = 0.0017123 k( 471) = ( 0.4482759 0.4482759 -0.0049425), wk = 0.0017123 k( 472) = ( 0.4568966 0.4568966 -0.0160269), wk = 0.0017123 k( 473) = ( 0.4655172 0.4655172 -0.0271114), wk = 0.0017123 k( 474) = ( 0.4741379 0.4741379 -0.0381958), wk = 0.0017123 k( 475) = ( 0.4827586 0.4827586 -0.0492803), wk = 0.0017123 k( 476) = ( 0.4913793 0.4913793 -0.0603647), wk = 0.0017123 k( 477) = ( 0.5000000 0.5000000 -0.0714492), wk = 0.0017123 k( 478) = ( 0.5000000 0.5000000 -0.0714492), wk = 0.0017123 k( 479) = ( 0.5000000 0.5000000 -0.0768061), wk = 0.0017123 k( 480) = ( 0.5000000 0.5000000 -0.0821629), wk = 0.0017123 k( 481) = ( 0.5000000 0.5000000 -0.0875198), wk = 0.0017123 k( 482) = ( 0.5000000 0.5000000 -0.0928767), wk = 0.0017123 k( 483) = ( 0.5000000 0.5000000 -0.0982336), wk = 0.0017123 k( 484) = ( 0.5000000 0.5000000 -0.1035905), wk = 0.0017123 k( 485) = ( 0.5000000 0.5000000 -0.1089474), wk = 0.0017123 k( 486) = ( 0.5000000 0.5000000 -0.1143043), wk = 0.0017123 k( 487) = ( 0.5000000 0.5000000 -0.1196612), wk = 0.0017123 k( 488) = ( 0.5000000 0.5000000 -0.1250180), wk = 0.0017123 k( 489) = ( 0.5000000 0.5000000 -0.1303749), wk = 0.0017123 k( 490) = ( 0.5000000 0.5000000 -0.1357318), wk = 0.0017123 k( 491) = ( 0.5000000 0.5000000 -0.1410887), wk = 0.0017123 k( 492) = ( 0.5000000 0.5000000 -0.1464456), wk = 0.0017123 k( 493) = ( 0.5000000 0.5000000 -0.1518025), wk = 0.0017123 k( 494) = ( 0.5000000 0.5000000 -0.1571593), wk = 0.0017123 k( 495) = ( 0.5000000 0.5000000 -0.1625162), wk = 0.0017123 k( 496) = ( 0.5000000 0.5000000 -0.1678731), wk = 0.0017123 k( 497) = ( 0.5000000 0.5000000 -0.1732300), wk = 0.0017123 k( 498) = ( 0.5000000 0.5000000 -0.1785869), wk = 0.0017123 k( 499) = ( 0.5000000 0.5000000 -0.1839438), wk = 0.0017123 k( 500) = ( 0.5000000 0.5000000 -0.1893007), wk = 0.0017123 k( 501) = ( 0.5000000 0.5000000 -0.1946575), wk = 0.0017123 k( 502) = ( 0.5000000 0.5000000 -0.2000144), wk = 0.0017123 k( 503) = ( 0.5000000 0.5000000 -0.2053713), wk = 0.0017123 k( 504) = ( 0.5000000 0.5000000 -0.2107282), wk = 0.0017123 k( 505) = ( 0.5000000 0.5000000 -0.2160851), wk = 0.0017123 k( 506) = ( 0.5000000 0.5000000 -0.2214420), wk = 0.0017123 k( 507) = ( 0.5000000 0.5000000 -0.2267988), wk = 0.0017123 k( 508) = ( 0.5000000 0.5000000 -0.2321557), wk = 0.0017123 k( 509) = ( 0.5000000 0.5000000 -0.2375126), wk = 0.0017123 k( 510) = ( 0.5000000 0.5000000 -0.2428695), wk = 0.0017123 k( 511) = ( 0.5000000 0.5000000 -0.2482264), wk = 0.0017123 k( 512) = ( 0.5000000 0.5000000 -0.2535833), wk = 0.0017123 k( 513) = ( 0.5000000 0.5000000 -0.2589402), wk = 0.0017123 k( 514) = ( 0.5000000 0.5000000 -0.2642970), wk = 0.0017123 k( 515) = ( 0.5000000 0.5000000 -0.2696539), wk = 0.0017123 k( 516) = ( 0.5000000 0.5000000 -0.2750108), wk = 0.0017123 k( 517) = ( 0.5000000 0.5000000 -0.2803677), wk = 0.0017123 k( 518) = ( 0.5000000 0.5000000 -0.2857246), wk = 0.0017123 k( 519) = ( 0.5000000 0.5000000 -0.2910815), wk = 0.0017123 k( 520) = ( 0.5000000 0.5000000 -0.2964384), wk = 0.0017123 k( 521) = ( 0.5000000 0.5000000 -0.3017953), wk = 0.0017123 k( 522) = ( 0.5000000 0.5000000 -0.3071521), wk = 0.0017123 k( 523) = ( 0.5000000 0.5000000 -0.3125090), wk = 0.0017123 k( 524) = ( 0.5000000 0.5000000 -0.3178659), wk = 0.0017123 k( 525) = ( 0.5000000 0.5000000 -0.3232228), wk = 0.0017123 k( 526) = ( 0.5000000 0.5000000 -0.3285797), wk = 0.0017123 k( 527) = ( 0.5000000 0.5000000 -0.3339366), wk = 0.0017123 k( 528) = ( 0.5000000 0.5000000 -0.3392934), wk = 0.0017123 k( 529) = ( 0.5000000 0.5000000 -0.3446503), wk = 0.0017123 k( 530) = ( 0.5000000 0.5000000 -0.3500072), wk = 0.0017123 k( 531) = ( 0.5000000 0.5000000 -0.3553641), wk = 0.0017123 k( 532) = ( 0.5000000 0.5000000 -0.3607210), wk = 0.0017123 k( 533) = ( 0.5000000 0.5000000 -0.3660779), wk = 0.0017123 k( 534) = ( 0.5000000 0.5000000 -0.3714347), wk = 0.0017123 k( 535) = ( 0.5000000 0.5000000 -0.3767916), wk = 0.0017123 k( 536) = ( 0.5000000 0.5000000 -0.3821485), wk = 0.0017123 k( 537) = ( 0.5000000 0.5000000 -0.3875054), wk = 0.0017123 k( 538) = ( 0.5000000 0.5000000 -0.3928623), wk = 0.0017123 k( 539) = ( 0.5000000 0.5000000 -0.3982192), wk = 0.0017123 k( 540) = ( 0.5000000 0.5000000 -0.4035761), wk = 0.0017123 k( 541) = ( 0.5000000 0.5000000 -0.4089330), wk = 0.0017123 k( 542) = ( 0.5000000 0.5000000 -0.4142898), wk = 0.0017123 k( 543) = ( 0.5000000 0.5000000 -0.4196467), wk = 0.0017123 k( 544) = ( 0.5000000 0.5000000 -0.4250036), wk = 0.0017123 k( 545) = ( 0.5000000 0.5000000 -0.4303605), wk = 0.0017123 k( 546) = ( 0.5000000 0.5000000 -0.4357174), wk = 0.0017123 k( 547) = ( 0.5000000 0.5000000 -0.4410743), wk = 0.0017123 k( 548) = ( 0.5000000 0.5000000 -0.4464311), wk = 0.0017123 k( 549) = ( 0.5000000 0.5000000 -0.4517880), wk = 0.0017123 k( 550) = ( 0.5000000 0.5000000 -0.4571449), wk = 0.0017123 k( 551) = ( 0.5000000 0.5000000 -0.4625018), wk = 0.0017123 k( 552) = ( 0.5000000 0.5000000 -0.4678587), wk = 0.0017123 k( 553) = ( 0.5000000 0.5000000 -0.4732156), wk = 0.0017123 k( 554) = ( 0.5000000 0.5000000 -0.4785725), wk = 0.0017123 k( 555) = ( 0.5000000 0.5000000 -0.4839293), wk = 0.0017123 k( 556) = ( 0.5000000 0.5000000 -0.4892862), wk = 0.0017123 k( 557) = ( 0.5000000 0.5000000 -0.4946431), wk = 0.0017123 k( 558) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0017123 k( 559) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017123 k( 560) = ( 0.0100000 0.0100000 0.4900000), wk = 0.0017123 k( 561) = ( 0.0200000 0.0200000 0.4800000), wk = 0.0017123 k( 562) = ( 0.0300000 0.0300000 0.4700000), wk = 0.0017123 k( 563) = ( 0.0400000 0.0400000 0.4600000), wk = 0.0017123 k( 564) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0017123 k( 565) = ( 0.0600000 0.0600000 0.4400000), wk = 0.0017123 k( 566) = ( 0.0700000 0.0700000 0.4300000), wk = 0.0017123 k( 567) = ( 0.0800000 0.0800000 0.4200000), wk = 0.0017123 k( 568) = ( 0.0900000 0.0900000 0.4100000), wk = 0.0017123 k( 569) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0017123 k( 570) = ( 0.1100000 0.1100000 0.3900000), wk = 0.0017123 k( 571) = ( 0.1200000 0.1200000 0.3800000), wk = 0.0017123 k( 572) = ( 0.1300000 0.1300000 0.3700000), wk = 0.0017123 k( 573) = ( 0.1400000 0.1400000 0.3600000), wk = 0.0017123 k( 574) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0017123 k( 575) = ( 0.1600000 0.1600000 0.3400000), wk = 0.0017123 k( 576) = ( 0.1700000 0.1700000 0.3300000), wk = 0.0017123 k( 577) = ( 0.1800000 0.1800000 0.3200000), wk = 0.0017123 k( 578) = ( 0.1900000 0.1900000 0.3100000), wk = 0.0017123 k( 579) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0017123 k( 580) = ( 0.2100000 0.2100000 0.2900000), wk = 0.0017123 k( 581) = ( 0.2200000 0.2200000 0.2800000), wk = 0.0017123 k( 582) = ( 0.2300000 0.2300000 0.2700000), wk = 0.0017123 k( 583) = ( 0.2400000 0.2400000 0.2600000), wk = 0.0017123 k( 584) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017123 Dense grid: 17291 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 96, 24) NL pseudopotentials 0.06 Mb ( 48, 82) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 361) G-vector shells 0.00 Mb ( 170) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 96, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.06 Mb ( 82, 2, 24) The potential is recalculated from file : ./LiFeP.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.1 secs Computing kpt #: 2 total cpu time spent up to now is 47.5 secs Computing kpt #: 3 total cpu time spent up to now is 47.8 secs Computing kpt #: 4 total cpu time spent up to now is 48.3 secs Computing kpt #: 5 total cpu time spent up to now is 48.7 secs Computing kpt #: 6 total cpu time spent up to now is 49.1 secs Computing kpt #: 7 total cpu time spent up to now is 49.4 secs Computing kpt #: 8 total cpu time spent up to now is 49.8 secs Computing kpt #: 9 total cpu time spent up to now is 50.3 secs Computing kpt #: 10 total cpu time spent up to now is 50.7 secs Computing kpt #: 11 total cpu time spent up to now is 51.1 secs Computing kpt #: 12 total cpu time spent up to now is 51.5 secs Computing kpt #: 13 total cpu time spent up to now is 51.9 secs Computing kpt #: 14 total cpu time spent up to now is 52.3 secs Computing kpt #: 15 total cpu time spent up to now is 52.8 secs Computing kpt #: 16 total cpu time spent up to now is 53.2 secs Computing kpt #: 17 total cpu time spent up to now is 53.7 secs Computing kpt #: 18 total cpu time spent up to now is 54.2 secs Computing kpt #: 19 total cpu time spent up to now is 54.7 secs Computing kpt #: 20 total cpu time spent up to now is 55.3 secs Computing kpt #: 21 total cpu time spent up to now is 55.8 secs Computing kpt #: 22 total cpu time spent up to now is 56.3 secs Computing kpt #: 23 total cpu time spent up to now is 56.7 secs Computing kpt #: 24 total cpu time spent up to now is 57.2 secs Computing kpt #: 25 total cpu time spent up to now is 57.6 secs Computing kpt #: 26 total cpu time spent up to now is 58.0 secs Computing kpt #: 27 total cpu time spent up to now is 58.4 secs Computing kpt #: 28 total cpu time spent up to now is 58.8 secs Computing kpt #: 29 total cpu time spent up to now is 59.2 secs Computing kpt #: 30 total cpu time spent up to now is 59.8 secs Computing kpt #: 31 total cpu time spent up to now is 60.4 secs Computing kpt #: 32 total cpu time spent up to now is 60.7 secs Computing kpt #: 33 total cpu time spent up to now is 61.1 secs Computing kpt #: 34 total cpu time spent up to now is 61.5 secs Computing kpt #: 35 total cpu time spent up to now is 61.9 secs Computing kpt #: 36 total cpu time spent up to now is 62.3 secs Computing kpt #: 37 total cpu time spent up to now is 62.7 secs Computing kpt #: 38 total cpu time spent up to now is 63.0 secs Computing kpt #: 39 total cpu time spent up to now is 63.4 secs Computing kpt #: 40 total cpu time spent up to now is 63.8 secs Computing kpt #: 41 total cpu time spent up to now is 64.2 secs Computing kpt #: 42 total cpu time spent up to now is 64.5 secs Computing kpt #: 43 total cpu time spent up to now is 64.9 secs Computing kpt #: 44 total cpu time spent up to now is 65.2 secs Computing kpt #: 45 total cpu time spent up to now is 65.6 secs Computing kpt #: 46 total cpu time spent up to now is 66.0 secs Computing kpt #: 47 total cpu time spent up to now is 66.4 secs Computing kpt #: 48 total cpu time spent up to now is 66.8 secs Computing kpt #: 49 total cpu time spent up to now is 67.2 secs Computing kpt #: 50 total cpu time spent up to now is 67.6 secs Computing kpt #: 51 total cpu time spent up to now is 68.0 secs Computing kpt #: 52 total cpu time spent up to now is 68.4 secs Computing kpt #: 53 total cpu time spent up to now is 68.8 secs Computing kpt #: 54 total cpu time spent up to now is 69.2 secs Computing kpt #: 55 total cpu time spent up to now is 69.6 secs Computing kpt #: 56 total cpu time spent up to now is 70.0 secs Computing kpt #: 57 total cpu time spent up to now is 70.4 secs Computing kpt #: 58 total cpu time spent up to now is 70.8 secs Computing kpt #: 59 total cpu time spent up to now is 71.2 secs Computing kpt #: 60 total cpu time spent up to now is 71.6 secs Computing kpt #: 61 total cpu time spent up to now is 72.0 secs Computing kpt #: 62 total cpu time spent up to now is 72.4 secs Computing kpt #: 63 total cpu time spent up to now is 72.9 secs Computing kpt #: 64 total cpu time spent up to now is 73.3 secs Computing kpt #: 65 total cpu time spent up to now is 73.6 secs Computing kpt #: 66 total cpu time spent up to now is 74.0 secs Computing kpt #: 67 total cpu time spent up to now is 74.4 secs Computing kpt #: 68 total cpu time spent up to now is 74.8 secs Computing kpt #: 69 total cpu time spent up to now is 75.1 secs Computing kpt #: 70 total cpu time spent up to now is 75.5 secs Computing kpt #: 71 total cpu time spent up to now is 75.9 secs Computing kpt #: 72 total cpu time spent up to now is 76.3 secs Computing kpt #: 73 total cpu time spent up to now is 76.7 secs Computing kpt #: 74 total cpu time spent up to now is 77.1 secs Computing kpt #: 75 total cpu time spent up to now is 77.5 secs Computing kpt #: 76 total cpu time spent up to now is 77.9 secs Computing kpt #: 77 total cpu time spent up to now is 78.3 secs Computing kpt #: 78 total cpu time spent up to now is 78.7 secs Computing kpt #: 79 total cpu time spent up to now is 79.1 secs Computing kpt #: 80 total cpu time spent up to now is 79.5 secs Computing kpt #: 81 total cpu time spent up to now is 79.9 secs Computing kpt #: 82 total cpu time spent up to now is 80.3 secs Computing kpt #: 83 total cpu time spent up to now is 80.7 secs Computing kpt #: 84 total cpu time spent up to now is 81.1 secs Computing kpt #: 85 total cpu time spent up to now is 81.5 secs Computing kpt #: 86 total cpu time spent up to now is 81.9 secs Computing kpt #: 87 total cpu time spent up to now is 82.3 secs Computing kpt #: 88 total cpu time spent up to now is 82.7 secs Computing kpt #: 89 total cpu time spent up to now is 83.0 secs Computing kpt #: 90 total cpu time spent up to now is 83.4 secs Computing kpt #: 91 total cpu time spent up to now is 83.8 secs Computing kpt #: 92 total cpu time spent up to now is 84.2 secs Computing kpt #: 93 total cpu time spent up to now is 84.5 secs Computing kpt #: 94 total cpu time spent up to now is 84.9 secs Computing kpt #: 95 total cpu time spent up to now is 85.3 secs Computing kpt #: 96 total cpu time spent up to now is 85.6 secs Computing kpt #: 97 total cpu time spent up to now is 86.0 secs Computing kpt #: 98 total cpu time spent up to now is 86.3 secs Computing kpt #: 99 total cpu time spent up to now is 86.7 secs Computing kpt #: 100 total cpu time spent up to now is 87.0 secs Computing kpt #: 101 total cpu time spent up to now is 87.4 secs Computing kpt #: 102 total cpu time spent up to now is 87.7 secs Computing kpt #: 103 total cpu time spent up to now is 88.1 secs Computing kpt #: 104 total cpu time spent up to now is 88.4 secs Computing kpt #: 105 total cpu time spent up to now is 88.8 secs Computing kpt #: 106 total cpu time spent up to now is 89.2 secs Computing kpt #: 107 total cpu time spent up to now is 89.6 secs Computing kpt #: 108 total cpu time spent up to now is 90.1 secs Computing kpt #: 109 total cpu time spent up to now is 90.5 secs Computing kpt #: 110 total cpu time spent up to now is 91.0 secs Computing kpt #: 111 total cpu time spent up to now is 91.3 secs Computing kpt #: 112 total cpu time spent up to now is 92.1 secs Computing kpt #: 113 total cpu time spent up to now is 92.4 secs Computing kpt #: 114 total cpu time spent up to now is 92.9 secs Computing kpt #: 115 total cpu time spent up to now is 93.2 secs Computing kpt #: 116 total cpu time spent up to now is 93.6 secs Computing kpt #: 117 total cpu time spent up to now is 94.1 secs Computing kpt #: 118 total cpu time spent up to now is 94.5 secs Computing kpt #: 119 total cpu time spent up to now is 95.0 secs Computing kpt #: 120 total cpu time spent up to now is 95.4 secs Computing kpt #: 121 total cpu time spent up to now is 95.8 secs Computing kpt #: 122 total cpu time spent up to now is 96.3 secs Computing kpt #: 123 total cpu time spent up to now is 96.8 secs Computing kpt #: 124 total cpu time spent up to now is 97.2 secs Computing kpt #: 125 total cpu time spent up to now is 97.6 secs Computing kpt #: 126 total cpu time spent up to now is 98.0 secs Computing kpt #: 127 total cpu time spent up to now is 98.4 secs Computing kpt #: 128 total cpu time spent up to now is 98.8 secs Computing kpt #: 129 total cpu time spent up to now is 99.2 secs Computing kpt #: 130 total cpu time spent up to now is 99.6 secs Computing kpt #: 131 total cpu time spent up to now is 100.0 secs Computing kpt #: 132 total cpu time spent up to now is 100.4 secs Computing kpt #: 133 total cpu time spent up to now is 100.8 secs Computing kpt #: 134 total cpu time spent up to now is 101.2 secs Computing kpt #: 135 total cpu time spent up to now is 101.6 secs Computing kpt #: 136 total cpu time spent up to now is 102.0 secs Computing kpt #: 137 total cpu time spent up to now is 102.5 secs Computing kpt #: 138 total cpu time spent up to now is 103.0 secs Computing kpt #: 139 total cpu time spent up to now is 103.4 secs Computing kpt #: 140 total cpu time spent up to now is 103.8 secs Computing kpt #: 141 total cpu time spent up to now is 104.3 secs Computing kpt #: 142 total cpu time spent up to now is 104.6 secs Computing kpt #: 143 total cpu time spent up to now is 105.0 secs Computing kpt #: 144 total cpu time spent up to now is 105.5 secs Computing kpt #: 145 total cpu time spent up to now is 105.9 secs Computing kpt #: 146 total cpu time spent up to now is 106.3 secs Computing kpt #: 147 total cpu time spent up to now is 106.7 secs Computing kpt #: 148 total cpu time spent up to now is 107.1 secs Computing kpt #: 149 total cpu time spent up to now is 107.5 secs Computing kpt #: 150 total cpu time spent up to now is 108.0 secs Computing kpt #: 151 total cpu time spent up to now is 108.4 secs Computing kpt #: 152 total cpu time spent up to now is 108.9 secs Computing kpt #: 153 total cpu time spent up to now is 109.3 secs Computing kpt #: 154 total cpu time spent up to now is 109.8 secs Computing kpt #: 155 total cpu time spent up to now is 110.3 secs Computing kpt #: 156 total cpu time spent up to now is 110.7 secs Computing kpt #: 157 total cpu time spent up to now is 111.1 secs Computing kpt #: 158 total cpu time spent up to now is 111.6 secs Computing kpt #: 159 total cpu time spent up to now is 112.0 secs Computing kpt #: 160 total cpu time spent up to now is 112.4 secs Computing kpt #: 161 total cpu time spent up to now is 112.8 secs Computing kpt #: 162 total cpu time spent up to now is 113.2 secs Computing kpt #: 163 total cpu time spent up to now is 113.7 secs Computing kpt #: 164 total cpu time spent up to now is 114.1 secs Computing kpt #: 165 total cpu time spent up to now is 114.5 secs Computing kpt #: 166 total cpu time spent up to now is 114.9 secs Computing kpt #: 167 total cpu time spent up to now is 115.3 secs Computing kpt #: 168 total cpu time spent up to now is 115.7 secs Computing kpt #: 169 total cpu time spent up to now is 116.1 secs Computing kpt #: 170 total cpu time spent up to now is 116.4 secs Computing kpt #: 171 total cpu time spent up to now is 116.8 secs Computing kpt #: 172 total cpu time spent up to now is 117.2 secs Computing kpt #: 173 total cpu time spent up to now is 117.6 secs Computing kpt #: 174 total cpu time spent up to now is 117.9 secs Computing kpt #: 175 total cpu time spent up to now is 118.3 secs Computing kpt #: 176 total cpu time spent up to now is 118.7 secs Computing kpt #: 177 total cpu time spent up to now is 119.1 secs Computing kpt #: 178 total cpu time spent up to now is 119.5 secs Computing kpt #: 179 total cpu time spent up to now is 119.9 secs Computing kpt #: 180 total cpu time spent up to now is 120.2 secs Computing kpt #: 181 total cpu time spent up to now is 120.6 secs Computing kpt #: 182 total cpu time spent up to now is 121.1 secs Computing kpt #: 183 total cpu time spent up to now is 121.4 secs Computing kpt #: 184 total cpu time spent up to now is 121.9 secs Computing kpt #: 185 total cpu time spent up to now is 122.3 secs Computing kpt #: 186 total cpu time spent up to now is 122.6 secs Computing kpt #: 187 total cpu time spent up to now is 123.0 secs Computing kpt #: 188 total cpu time spent up to now is 123.4 secs Computing kpt #: 189 total cpu time spent up to now is 123.7 secs Computing kpt #: 190 total cpu time spent up to now is 124.1 secs Computing kpt #: 191 total cpu time spent up to now is 124.4 secs Computing kpt #: 192 total cpu time spent up to now is 124.8 secs Computing kpt #: 193 total cpu time spent up to now is 125.1 secs Computing kpt #: 194 total cpu time spent up to now is 125.5 secs Computing kpt #: 195 total cpu time spent up to now is 125.9 secs Computing kpt #: 196 total cpu time spent up to now is 126.3 secs Computing kpt #: 197 total cpu time spent up to now is 126.7 secs Computing kpt #: 198 total cpu time spent up to now is 127.1 secs Computing kpt #: 199 total cpu time spent up to now is 127.5 secs Computing kpt #: 200 total cpu time spent up to now is 127.8 secs Computing kpt #: 201 total cpu time spent up to now is 128.2 secs Computing kpt #: 202 total cpu time spent up to now is 128.5 secs Computing kpt #: 203 total cpu time spent up to now is 128.9 secs Computing kpt #: 204 total cpu time spent up to now is 129.2 secs Computing kpt #: 205 total cpu time spent up to now is 129.6 secs Computing kpt #: 206 total cpu time spent up to now is 129.9 secs Computing kpt #: 207 total cpu time spent up to now is 130.2 secs Computing kpt #: 208 total cpu time spent up to now is 130.6 secs Computing kpt #: 209 total cpu time spent up to now is 130.9 secs Computing kpt #: 210 total cpu time spent up to now is 131.3 secs Computing kpt #: 211 total cpu time spent up to now is 131.7 secs Computing kpt #: 212 total cpu time spent up to now is 132.1 secs Computing kpt #: 213 total cpu time spent up to now is 132.6 secs Computing kpt #: 214 total cpu time spent up to now is 132.9 secs Computing kpt #: 215 total cpu time spent up to now is 133.4 secs Computing kpt #: 216 total cpu time spent up to now is 133.7 secs Computing kpt #: 217 total cpu time spent up to now is 134.1 secs Computing kpt #: 218 total cpu time spent up to now is 134.5 secs Computing kpt #: 219 total cpu time spent up to now is 134.8 secs Computing kpt #: 220 total cpu time spent up to now is 135.2 secs Computing kpt #: 221 total cpu time spent up to now is 135.6 secs Computing kpt #: 222 total cpu time spent up to now is 136.0 secs Computing kpt #: 223 total cpu time spent up to now is 136.4 secs Computing kpt #: 224 total cpu time spent up to now is 136.8 secs Computing kpt #: 225 total cpu time spent up to now is 137.2 secs Computing kpt #: 226 total cpu time spent up to now is 137.6 secs Computing kpt #: 227 total cpu time spent up to now is 138.0 secs Computing kpt #: 228 total cpu time spent up to now is 138.5 secs Computing kpt #: 229 total cpu time spent up to now is 139.0 secs Computing kpt #: 230 total cpu time spent up to now is 139.4 secs Computing kpt #: 231 total cpu time spent up to now is 139.8 secs Computing kpt #: 232 total cpu time spent up to now is 140.2 secs Computing kpt #: 233 total cpu time spent up to now is 140.7 secs Computing kpt #: 234 total cpu time spent up to now is 141.1 secs Computing kpt #: 235 total cpu time spent up to now is 141.5 secs Computing kpt #: 236 total cpu time spent up to now is 141.9 secs Computing kpt #: 237 total cpu time spent up to now is 142.3 secs Computing kpt #: 238 total cpu time spent up to now is 142.7 secs Computing kpt #: 239 total cpu time spent up to now is 143.1 secs Computing kpt #: 240 total cpu time spent up to now is 143.5 secs Computing kpt #: 241 total cpu time spent up to now is 143.9 secs Computing kpt #: 242 total cpu time spent up to now is 144.3 secs Computing kpt #: 243 total cpu time spent up to now is 144.7 secs Computing kpt #: 244 total cpu time spent up to now is 145.2 secs Computing kpt #: 245 total cpu time spent up to now is 145.5 secs Computing kpt #: 246 total cpu time spent up to now is 145.9 secs Computing kpt #: 247 total cpu time spent up to now is 146.3 secs Computing kpt #: 248 total cpu time spent up to now is 146.7 secs Computing kpt #: 249 total cpu time spent up to now is 147.0 secs Computing kpt #: 250 total cpu time spent up to now is 147.4 secs Computing kpt #: 251 total cpu time spent up to now is 147.8 secs Computing kpt #: 252 total cpu time spent up to now is 148.2 secs Computing kpt #: 253 total cpu time spent up to now is 148.5 secs Computing kpt #: 254 total cpu time spent up to now is 148.9 secs Computing kpt #: 255 total cpu time spent up to now is 149.3 secs Computing kpt #: 256 total cpu time spent up to now is 149.6 secs Computing kpt #: 257 total cpu time spent up to now is 150.0 secs Computing kpt #: 258 total cpu time spent up to now is 150.4 secs Computing kpt #: 259 total cpu time spent up to now is 150.8 secs Computing kpt #: 260 total cpu time spent up to now is 151.2 secs Computing kpt #: 261 total cpu time spent up to now is 151.6 secs Computing kpt #: 262 total cpu time spent up to now is 152.0 secs Computing kpt #: 263 total cpu time spent up to now is 152.3 secs Computing kpt #: 264 total cpu time spent up to now is 152.7 secs Computing kpt #: 265 total cpu time spent up to now is 153.0 secs Computing kpt #: 266 total cpu time spent up to now is 153.4 secs Computing kpt #: 267 total cpu time spent up to now is 153.7 secs Computing kpt #: 268 total cpu time spent up to now is 154.1 secs Computing kpt #: 269 total cpu time spent up to now is 154.4 secs Computing kpt #: 270 total cpu time spent up to now is 154.8 secs Computing kpt #: 271 total cpu time spent up to now is 155.1 secs Computing kpt #: 272 total cpu time spent up to now is 155.5 secs Computing kpt #: 273 total cpu time spent up to now is 155.9 secs Computing kpt #: 274 total cpu time spent up to now is 156.3 secs Computing kpt #: 275 total cpu time spent up to now is 156.7 secs Computing kpt #: 276 total cpu time spent up to now is 157.1 secs Computing kpt #: 277 total cpu time spent up to now is 157.5 secs Computing kpt #: 278 total cpu time spent up to now is 157.8 secs Computing kpt #: 279 total cpu time spent up to now is 158.2 secs Computing kpt #: 280 total cpu time spent up to now is 158.5 secs Computing kpt #: 281 total cpu time spent up to now is 158.9 secs Computing kpt #: 282 total cpu time spent up to now is 159.2 secs Computing kpt #: 283 total cpu time spent up to now is 159.6 secs Computing kpt #: 284 total cpu time spent up to now is 159.9 secs Computing kpt #: 285 total cpu time spent up to now is 160.3 secs Computing kpt #: 286 total cpu time spent up to now is 160.6 secs Computing kpt #: 287 total cpu time spent up to now is 161.0 secs Computing kpt #: 288 total cpu time spent up to now is 161.3 secs Computing kpt #: 289 total cpu time spent up to now is 161.7 secs Computing kpt #: 290 total cpu time spent up to now is 162.1 secs Computing kpt #: 291 total cpu time spent up to now is 162.5 secs Computing kpt #: 292 total cpu time spent up to now is 162.9 secs Computing kpt #: 293 total cpu time spent up to now is 163.3 secs Computing kpt #: 294 total cpu time spent up to now is 163.6 secs Computing kpt #: 295 total cpu time spent up to now is 164.0 secs Computing kpt #: 296 total cpu time spent up to now is 164.4 secs Computing kpt #: 297 total cpu time spent up to now is 164.7 secs Computing kpt #: 298 total cpu time spent up to now is 165.1 secs Computing kpt #: 299 total cpu time spent up to now is 165.5 secs Computing kpt #: 300 total cpu time spent up to now is 165.8 secs Computing kpt #: 301 total cpu time spent up to now is 166.2 secs Computing kpt #: 302 total cpu time spent up to now is 166.6 secs Computing kpt #: 303 total cpu time spent up to now is 167.0 secs Computing kpt #: 304 total cpu time spent up to now is 167.4 secs Computing kpt #: 305 total cpu time spent up to now is 167.9 secs Computing kpt #: 306 total cpu time spent up to now is 168.3 secs Computing kpt #: 307 total cpu time spent up to now is 168.8 secs Computing kpt #: 308 total cpu time spent up to now is 169.4 secs Computing kpt #: 309 total cpu time spent up to now is 169.8 secs Computing kpt #: 310 total cpu time spent up to now is 170.3 secs Computing kpt #: 311 total cpu time spent up to now is 170.7 secs Computing kpt #: 312 total cpu time spent up to now is 171.2 secs Computing kpt #: 313 total cpu time spent up to now is 171.7 secs Computing kpt #: 314 total cpu time spent up to now is 172.2 secs Computing kpt #: 315 total cpu time spent up to now is 172.7 secs Computing kpt #: 316 total cpu time spent up to now is 173.2 secs Computing kpt #: 317 total cpu time spent up to now is 173.7 secs Computing kpt #: 318 total cpu time spent up to now is 174.3 secs Computing kpt #: 319 total cpu time spent up to now is 174.8 secs Computing kpt #: 320 total cpu time spent up to now is 175.3 secs Computing kpt #: 321 total cpu time spent up to now is 175.8 secs Computing kpt #: 322 total cpu time spent up to now is 176.2 secs Computing kpt #: 323 total cpu time spent up to now is 176.7 secs Computing kpt #: 324 total cpu time spent up to now is 177.1 secs Computing kpt #: 325 total cpu time spent up to now is 177.6 secs Computing kpt #: 326 total cpu time spent up to now is 178.1 secs Computing kpt #: 327 total cpu time spent up to now is 178.5 secs Computing kpt #: 328 total cpu time spent up to now is 178.9 secs Computing kpt #: 329 total cpu time spent up to now is 179.4 secs Computing kpt #: 330 total cpu time spent up to now is 179.9 secs Computing kpt #: 331 total cpu time spent up to now is 180.3 secs Computing kpt #: 332 total cpu time spent up to now is 180.8 secs Computing kpt #: 333 total cpu time spent up to now is 181.3 secs Computing kpt #: 334 total cpu time spent up to now is 181.7 secs Computing kpt #: 335 total cpu time spent up to now is 182.2 secs Computing kpt #: 336 total cpu time spent up to now is 182.7 secs Computing kpt #: 337 total cpu time spent up to now is 183.2 secs Computing kpt #: 338 total cpu time spent up to now is 183.6 secs Computing kpt #: 339 total cpu time spent up to now is 184.1 secs Computing kpt #: 340 total cpu time spent up to now is 184.5 secs Computing kpt #: 341 total cpu time spent up to now is 185.0 secs Computing kpt #: 342 total cpu time spent up to now is 185.4 secs Computing kpt #: 343 total cpu time spent up to now is 185.9 secs Computing kpt #: 344 total cpu time spent up to now is 186.4 secs Computing kpt #: 345 total cpu time spent up to now is 186.8 secs Computing kpt #: 346 total cpu time spent up to now is 187.3 secs Computing kpt #: 347 total cpu time spent up to now is 187.7 secs Computing kpt #: 348 total cpu time spent up to now is 188.1 secs Computing kpt #: 349 total cpu time spent up to now is 188.5 secs Computing kpt #: 350 total cpu time spent up to now is 188.9 secs Computing kpt #: 351 total cpu time spent up to now is 189.2 secs Computing kpt #: 352 total cpu time spent up to now is 189.6 secs Computing kpt #: 353 total cpu time spent up to now is 190.0 secs Computing kpt #: 354 total cpu time spent up to now is 190.4 secs Computing kpt #: 355 total cpu time spent up to now is 190.7 secs Computing kpt #: 356 total cpu time spent up to now is 191.1 secs Computing kpt #: 357 total cpu time spent up to now is 191.5 secs Computing kpt #: 358 total cpu time spent up to now is 191.9 secs Computing kpt #: 359 total cpu time spent up to now is 192.3 secs Computing kpt #: 360 total cpu time spent up to now is 192.7 secs Computing kpt #: 361 total cpu time spent up to now is 193.1 secs Computing kpt #: 362 total cpu time spent up to now is 193.6 secs Computing kpt #: 363 total cpu time spent up to now is 194.0 secs Computing kpt #: 364 total cpu time spent up to now is 194.4 secs Computing kpt #: 365 total cpu time spent up to now is 194.8 secs Computing kpt #: 366 total cpu time spent up to now is 195.2 secs Computing kpt #: 367 total cpu time spent up to now is 195.6 secs Computing kpt #: 368 total cpu time spent up to now is 195.9 secs Computing kpt #: 369 total cpu time spent up to now is 196.3 secs Computing kpt #: 370 total cpu time spent up to now is 196.7 secs Computing kpt #: 371 total cpu time spent up to now is 197.1 secs Computing kpt #: 372 total cpu time spent up to now is 197.7 secs Computing kpt #: 373 total cpu time spent up to now is 198.1 secs Computing kpt #: 374 total cpu time spent up to now is 198.5 secs Computing kpt #: 375 total cpu time spent up to now is 199.0 secs Computing kpt #: 376 total cpu time spent up to now is 199.4 secs Computing kpt #: 377 total cpu time spent up to now is 199.8 secs Computing kpt #: 378 total cpu time spent up to now is 200.1 secs Computing kpt #: 379 total cpu time spent up to now is 200.5 secs Computing kpt #: 380 total cpu time spent up to now is 200.9 secs Computing kpt #: 381 total cpu time spent up to now is 201.2 secs Computing kpt #: 382 total cpu time spent up to now is 201.6 secs Computing kpt #: 383 total cpu time spent up to now is 202.0 secs Computing kpt #: 384 total cpu time spent up to now is 202.4 secs Computing kpt #: 385 total cpu time spent up to now is 202.8 secs Computing kpt #: 386 total cpu time spent up to now is 203.1 secs Computing kpt #: 387 total cpu time spent up to now is 203.5 secs Computing kpt #: 388 total cpu time spent up to now is 203.9 secs Computing kpt #: 389 total cpu time spent up to now is 204.3 secs Computing kpt #: 390 total cpu time spent up to now is 204.8 secs Computing kpt #: 391 total cpu time spent up to now is 205.2 secs Computing kpt #: 392 total cpu time spent up to now is 205.6 secs Computing kpt #: 393 total cpu time spent up to now is 206.0 secs Computing kpt #: 394 total cpu time spent up to now is 206.4 secs Computing kpt #: 395 total cpu time spent up to now is 206.8 secs Computing kpt #: 396 total cpu time spent up to now is 207.2 secs Computing kpt #: 397 total cpu time spent up to now is 207.6 secs Computing kpt #: 398 total cpu time spent up to now is 208.0 secs Computing kpt #: 399 total cpu time spent up to now is 208.3 secs Computing kpt #: 400 total cpu time spent up to now is 208.7 secs Computing kpt #: 401 total cpu time spent up to now is 209.1 secs Computing kpt #: 402 total cpu time spent up to now is 209.5 secs Computing kpt #: 403 total cpu time spent up to now is 209.9 secs Computing kpt #: 404 total cpu time spent up to now is 210.3 secs Computing kpt #: 405 total cpu time spent up to now is 210.7 secs Computing kpt #: 406 total cpu time spent up to now is 211.1 secs Computing kpt #: 407 total cpu time spent up to now is 211.5 secs Computing kpt #: 408 total cpu time spent up to now is 211.9 secs Computing kpt #: 409 total cpu time spent up to now is 212.3 secs Computing kpt #: 410 total cpu time spent up to now is 212.7 secs Computing kpt #: 411 total cpu time spent up to now is 213.1 secs Computing kpt #: 412 total cpu time spent up to now is 213.5 secs Computing kpt #: 413 total cpu time spent up to now is 213.8 secs Computing kpt #: 414 total cpu time spent up to now is 214.2 secs Computing kpt #: 415 total cpu time spent up to now is 214.6 secs Computing kpt #: 416 total cpu time spent up to now is 215.0 secs Computing kpt #: 417 total cpu time spent up to now is 215.4 secs Computing kpt #: 418 total cpu time spent up to now is 215.8 secs Computing kpt #: 419 total cpu time spent up to now is 216.2 secs Computing kpt #: 420 total cpu time spent up to now is 216.6 secs Computing kpt #: 421 total cpu time spent up to now is 217.0 secs Computing kpt #: 422 total cpu time spent up to now is 217.4 secs Computing kpt #: 423 total cpu time spent up to now is 217.8 secs Computing kpt #: 424 total cpu time spent up to now is 218.2 secs Computing kpt #: 425 total cpu time spent up to now is 218.6 secs Computing kpt #: 426 total cpu time spent up to now is 219.0 secs Computing kpt #: 427 total cpu time spent up to now is 219.4 secs Computing kpt #: 428 total cpu time spent up to now is 219.8 secs Computing kpt #: 429 total cpu time spent up to now is 220.3 secs Computing kpt #: 430 total cpu time spent up to now is 220.7 secs Computing kpt #: 431 total cpu time spent up to now is 221.1 secs Computing kpt #: 432 total cpu time spent up to now is 221.5 secs Computing kpt #: 433 total cpu time spent up to now is 221.9 secs Computing kpt #: 434 total cpu time spent up to now is 222.4 secs Computing kpt #: 435 total cpu time spent up to now is 222.9 secs Computing kpt #: 436 total cpu time spent up to now is 223.4 secs Computing kpt #: 437 total cpu time spent up to now is 223.9 secs Computing kpt #: 438 total cpu time spent up to now is 224.3 secs Computing kpt #: 439 total cpu time spent up to now is 224.8 secs Computing kpt #: 440 total cpu time spent up to now is 225.3 secs Computing kpt #: 441 total cpu time spent up to now is 225.7 secs Computing kpt #: 442 total cpu time spent up to now is 226.2 secs Computing kpt #: 443 total cpu time spent up to now is 226.7 secs Computing kpt #: 444 total cpu time spent up to now is 227.2 secs Computing kpt #: 445 total cpu time spent up to now is 227.8 secs Computing kpt #: 446 total cpu time spent up to now is 228.4 secs Computing kpt #: 447 total cpu time spent up to now is 229.0 secs Computing kpt #: 448 total cpu time spent up to now is 229.4 secs Computing kpt #: 449 total cpu time spent up to now is 229.9 secs Computing kpt #: 450 total cpu time spent up to now is 230.4 secs Computing kpt #: 451 total cpu time spent up to now is 230.9 secs Computing kpt #: 452 total cpu time spent up to now is 231.3 secs Computing kpt #: 453 total cpu time spent up to now is 231.8 secs Computing kpt #: 454 total cpu time spent up to now is 232.3 secs Computing kpt #: 455 total cpu time spent up to now is 232.8 secs Computing kpt #: 456 total cpu time spent up to now is 233.2 secs Computing kpt #: 457 total cpu time spent up to now is 233.6 secs Computing kpt #: 458 total cpu time spent up to now is 234.0 secs Computing kpt #: 459 total cpu time spent up to now is 234.5 secs Computing kpt #: 460 total cpu time spent up to now is 234.9 secs Computing kpt #: 461 total cpu time spent up to now is 235.3 secs Computing kpt #: 462 total cpu time spent up to now is 235.6 secs Computing kpt #: 463 total cpu time spent up to now is 236.0 secs Computing kpt #: 464 total cpu time spent up to now is 236.4 secs Computing kpt #: 465 total cpu time spent up to now is 236.8 secs Computing kpt #: 466 total cpu time spent up to now is 237.2 secs Computing kpt #: 467 total cpu time spent up to now is 237.5 secs Computing kpt #: 468 total cpu time spent up to now is 237.9 secs Computing kpt #: 469 total cpu time spent up to now is 238.3 secs Computing kpt #: 470 total cpu time spent up to now is 238.6 secs Computing kpt #: 471 total cpu time spent up to now is 239.0 secs Computing kpt #: 472 total cpu time spent up to now is 239.3 secs Computing kpt #: 473 total cpu time spent up to now is 239.7 secs Computing kpt #: 474 total cpu time spent up to now is 240.1 secs Computing kpt #: 475 total cpu time spent up to now is 240.5 secs Computing kpt #: 476 total cpu time spent up to now is 240.9 secs Computing kpt #: 477 total cpu time spent up to now is 241.2 secs Computing kpt #: 478 total cpu time spent up to now is 241.5 secs Computing kpt #: 479 total cpu time spent up to now is 241.8 secs Computing kpt #: 480 total cpu time spent up to now is 242.2 secs Computing kpt #: 481 total cpu time spent up to now is 242.5 secs Computing kpt #: 482 total cpu time spent up to now is 242.9 secs Computing kpt #: 483 total cpu time spent up to now is 243.3 secs Computing kpt #: 484 total cpu time spent up to now is 243.6 secs Computing kpt #: 485 total cpu time spent up to now is 244.0 secs Computing kpt #: 486 total cpu time spent up to now is 244.3 secs Computing kpt #: 487 total cpu time spent up to now is 244.7 secs Computing kpt #: 488 total cpu time spent up to now is 245.1 secs Computing kpt #: 489 total cpu time spent up to now is 245.4 secs Computing kpt #: 490 total cpu time spent up to now is 245.8 secs Computing kpt #: 491 total cpu time spent up to now is 246.3 secs Computing kpt #: 492 total cpu time spent up to now is 246.8 secs Computing kpt #: 493 total cpu time spent up to now is 247.2 secs Computing kpt #: 494 total cpu time spent up to now is 247.7 secs Computing kpt #: 495 total cpu time spent up to now is 248.2 secs Computing kpt #: 496 total cpu time spent up to now is 248.6 secs Computing kpt #: 497 total cpu time spent up to now is 249.1 secs Computing kpt #: 498 total cpu time spent up to now is 249.5 secs Computing kpt #: 499 total cpu time spent up to now is 250.0 secs Computing kpt #: 500 total cpu time spent up to now is 250.4 secs Computing kpt #: 501 total cpu time spent up to now is 250.9 secs Computing kpt #: 502 total cpu time spent up to now is 251.4 secs Computing kpt #: 503 total cpu time spent up to now is 251.8 secs Computing kpt #: 504 total cpu time spent up to now is 252.4 secs Computing kpt #: 505 total cpu time spent up to now is 252.9 secs Computing kpt #: 506 total cpu time spent up to now is 253.4 secs Computing kpt #: 507 total cpu time spent up to now is 253.9 secs Computing kpt #: 508 total cpu time spent up to now is 254.3 secs Computing kpt #: 509 total cpu time spent up to now is 254.8 secs Computing kpt #: 510 total cpu time spent up to now is 255.2 secs Computing kpt #: 511 total cpu time spent up to now is 255.7 secs Computing kpt #: 512 total cpu time spent up to now is 256.2 secs Computing kpt #: 513 total cpu time spent up to now is 256.7 secs Computing kpt #: 514 total cpu time spent up to now is 257.3 secs Computing kpt #: 515 total cpu time spent up to now is 257.8 secs Computing kpt #: 516 total cpu time spent up to now is 258.5 secs Computing kpt #: 517 total cpu time spent up to now is 259.3 secs Computing kpt #: 518 total cpu time spent up to now is 260.0 secs Computing kpt #: 519 total cpu time spent up to now is 260.8 secs Computing kpt #: 520 total cpu time spent up to now is 261.6 secs Computing kpt #: 521 total cpu time spent up to now is 262.5 secs Computing kpt #: 522 total cpu time spent up to now is 263.1 secs Computing kpt #: 523 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.4 secs Computing kpt #: 524 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 265.7 secs Computing kpt #: 525 total cpu time spent up to now is 266.4 secs Computing kpt #: 526 total cpu time spent up to now is 267.1 secs Computing kpt #: 527 total cpu time spent up to now is 267.7 secs Computing kpt #: 528 total cpu time spent up to now is 268.2 secs Computing kpt #: 529 total cpu time spent up to now is 268.7 secs Computing kpt #: 530 total cpu time spent up to now is 269.2 secs Computing kpt #: 531 total cpu time spent up to now is 269.7 secs Computing kpt #: 532 total cpu time spent up to now is 270.3 secs Computing kpt #: 533 total cpu time spent up to now is 270.8 secs Computing kpt #: 534 total cpu time spent up to now is 271.3 secs Computing kpt #: 535 total cpu time spent up to now is 271.8 secs Computing kpt #: 536 total cpu time spent up to now is 272.3 secs Computing kpt #: 537 total cpu time spent up to now is 272.7 secs Computing kpt #: 538 total cpu time spent up to now is 273.2 secs Computing kpt #: 539 total cpu time spent up to now is 273.6 secs Computing kpt #: 540 total cpu time spent up to now is 274.1 secs Computing kpt #: 541 total cpu time spent up to now is 274.5 secs Computing kpt #: 542 total cpu time spent up to now is 275.0 secs Computing kpt #: 543 total cpu time spent up to now is 275.4 secs Computing kpt #: 544 total cpu time spent up to now is 275.9 secs Computing kpt #: 545 total cpu time spent up to now is 276.4 secs Computing kpt #: 546 total cpu time spent up to now is 276.8 secs Computing kpt #: 547 total cpu time spent up to now is 277.3 secs Computing kpt #: 548 total cpu time spent up to now is 277.6 secs Computing kpt #: 549 total cpu time spent up to now is 278.1 secs Computing kpt #: 550 total cpu time spent up to now is 278.5 secs Computing kpt #: 551 total cpu time spent up to now is 278.9 secs Computing kpt #: 552 total cpu time spent up to now is 279.3 secs Computing kpt #: 553 total cpu time spent up to now is 279.7 secs Computing kpt #: 554 total cpu time spent up to now is 280.0 secs Computing kpt #: 555 total cpu time spent up to now is 280.4 secs Computing kpt #: 556 total cpu time spent up to now is 280.8 secs Computing kpt #: 557 total cpu time spent up to now is 281.1 secs Computing kpt #: 558 total cpu time spent up to now is 281.5 secs Computing kpt #: 559 total cpu time spent up to now is 281.9 secs Computing kpt #: 560 total cpu time spent up to now is 282.2 secs Computing kpt #: 561 total cpu time spent up to now is 282.6 secs Computing kpt #: 562 total cpu time spent up to now is 283.0 secs Computing kpt #: 563 total cpu time spent up to now is 283.4 secs Computing kpt #: 564 total cpu time spent up to now is 283.7 secs Computing kpt #: 565 total cpu time spent up to now is 284.1 secs Computing kpt #: 566 total cpu time spent up to now is 284.5 secs Computing kpt #: 567 total cpu time spent up to now is 284.8 secs Computing kpt #: 568 total cpu time spent up to now is 285.2 secs Computing kpt #: 569 total cpu time spent up to now is 285.5 secs Computing kpt #: 570 total cpu time spent up to now is 285.9 secs Computing kpt #: 571 total cpu time spent up to now is 286.3 secs Computing kpt #: 572 total cpu time spent up to now is 286.6 secs Computing kpt #: 573 total cpu time spent up to now is 287.0 secs Computing kpt #: 574 total cpu time spent up to now is 287.4 secs Computing kpt #: 575 total cpu time spent up to now is 287.8 secs Computing kpt #: 576 total cpu time spent up to now is 288.2 secs Computing kpt #: 577 total cpu time spent up to now is 288.7 secs Computing kpt #: 578 total cpu time spent up to now is 289.1 secs Computing kpt #: 579 total cpu time spent up to now is 289.5 secs Computing kpt #: 580 total cpu time spent up to now is 290.0 secs Computing kpt #: 581 total cpu time spent up to now is 290.5 secs Computing kpt #: 582 total cpu time spent up to now is 291.0 secs Computing kpt #: 583 total cpu time spent up to now is 291.5 secs Computing kpt #: 584 total cpu time spent up to now is 291.9 secs ethr = 6.25E-11, avg # of iterations = 20.6 total cpu time spent up to now is 292.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2163 PWs) bands (ev): -24.8456 -24.8456 3.9317 3.9317 12.6089 12.6089 16.0789 16.0789 18.2594 18.2594 18.3167 18.3167 20.4833 20.4833 20.5650 20.5650 25.0422 25.0422 27.0505 27.0505 28.3282 28.3282 28.4239 28.4239 k = 0.0000 0.0000 0.0114 ( 2163 PWs) bands (ev): -24.8456 -24.8455 3.9326 3.9330 12.6099 12.6103 16.0783 16.0794 18.2575 18.2585 18.3148 18.3159 20.4818 20.4843 20.5628 20.5637 25.0412 25.0418 27.0347 27.0378 28.3353 28.3372 28.4327 28.4342 k = 0.0000 0.0000 0.0228 ( 2163 PWs) bands (ev): -24.8453 -24.8453 3.9357 3.9366 12.6134 12.6141 16.0776 16.0798 18.2529 18.2545 18.3107 18.3126 20.4800 20.4848 20.5571 20.5590 25.0389 25.0399 26.9927 26.9986 28.3466 28.3518 28.4687 28.4727 k = 0.0000 0.0000 0.0342 ( 2163 PWs) bands (ev): -24.8450 -24.8449 3.9410 3.9423 12.6193 12.6204 16.0769 16.0801 18.2451 18.2463 18.3055 18.3073 20.4776 20.4850 20.5481 20.5508 25.0351 25.0367 26.9303 26.9384 28.3493 28.3573 28.5411 28.5467 k = 0.0000 0.0000 0.0456 ( 2163 PWs) bands (ev): -24.8444 -24.8444 3.9485 3.9502 12.6276 12.6291 16.0759 16.0802 18.2331 18.2332 18.3002 18.3008 20.4746 20.4845 20.5358 20.5394 25.0300 25.0321 26.8535 26.8634 28.3443 28.3547 28.6426 28.6489 k = 0.0000 0.0000 0.0570 ( 2163 PWs) bands (ev): -24.8437 -24.8436 3.9582 3.9604 12.6383 12.6402 16.0748 16.0802 18.2144 18.2166 18.2939 18.2954 20.4705 20.4831 20.5208 20.5251 25.0236 25.0262 26.7676 26.7790 28.3347 28.3472 28.7644 28.7709 k = 0.0000 0.0000 0.0684 ( 2163 PWs) bands (ev): -24.8429 -24.8428 3.9701 3.9727 12.6514 12.6537 16.0734 16.0799 18.1902 18.1951 18.2872 18.2912 20.4642 20.4793 20.5043 20.5094 25.0160 25.0191 26.6767 26.6892 28.3218 28.3365 28.9007 28.9069 k = 0.0000 0.0000 0.0798 ( 2167 PWs) bands (ev): -24.8419 -24.8418 3.9843 3.9873 12.6669 12.6696 16.0717 16.0793 18.1610 18.1686 18.2808 18.2873 20.4525 20.4684 20.4893 20.4970 25.0072 25.0108 26.5832 26.5967 28.3062 28.3231 29.0476 29.0534 k = 0.0000 0.0000 0.0912 ( 2171 PWs) bands (ev): -24.8408 -24.8406 4.0006 4.0041 12.6847 12.6877 16.0695 16.0783 18.1274 18.1375 18.2745 18.2833 20.4322 20.4471 20.4792 20.4914 24.9973 25.0014 26.4891 26.5035 28.2885 28.3075 29.2021 29.2073 k = 0.0000 0.0000 0.1026 ( 2179 PWs) bands (ev): -24.8395 -24.8393 4.0192 4.0230 12.7048 12.7082 16.0667 16.0767 18.0898 18.1023 18.2682 18.2793 20.4043 20.4190 20.4729 20.4888 24.9864 24.9910 26.3957 26.4108 28.2688 28.2900 29.3618 29.3663 k = 0.0000 0.0000 0.1140 ( 2171 PWs) bands (ev): -24.8381 -24.8379 4.0400 4.0442 12.7272 12.7310 16.0632 16.0745 18.0488 18.0636 18.2617 18.2750 20.3711 20.3863 20.4684 20.4871 24.9747 24.9797 26.3037 26.3194 28.2475 28.2708 29.5244 29.5280 k = 0.0000 0.0000 0.1254 ( 2171 PWs) bands (ev): -24.8365 -24.8363 4.0629 4.0676 12.7518 12.7559 16.0588 16.0714 18.0046 18.0217 18.2549 18.2703 20.3336 20.3497 20.4646 20.4858 24.9622 24.9676 26.2138 26.2301 28.2248 28.2502 29.6871 29.6897 k = 0.0000 0.0000 0.1368 ( 2171 PWs) bands (ev): -24.8348 -24.8345 4.0881 4.0932 12.7785 12.7831 16.0532 16.0672 17.9579 17.9771 18.2478 18.2652 20.2921 20.3094 20.4613 20.4848 24.9490 24.9549 26.1263 26.1430 28.2008 28.2283 29.8465 29.8480 k = 0.0000 0.0000 0.1482 ( 2179 PWs) bands (ev): -24.8329 -24.8327 4.1155 4.1210 12.8074 12.8123 16.0464 16.0617 17.9091 17.9304 18.2403 18.2597 20.2469 20.2655 20.4583 20.4839 24.9353 24.9416 26.0413 26.0586 28.1760 28.2055 29.9978 29.9979 k = 0.0000 0.0000 0.1597 ( 2179 PWs) bands (ev): -24.8309 -24.8307 4.1451 4.1509 12.8383 12.8436 16.0379 16.0546 17.8587 17.8821 18.2324 18.2537 20.1982 20.2182 20.4555 20.4832 24.9212 24.9279 25.9591 25.9768 28.1504 28.1819 30.1331 30.1344 k = 0.0000 0.0000 0.1711 ( 2175 PWs) bands (ev): -24.8288 -24.8285 4.1770 4.1831 12.8712 12.8768 16.0276 16.0456 17.8074 17.8328 18.2240 18.2473 20.1459 20.1673 20.4531 20.4827 24.9069 24.9139 25.8798 25.8978 28.1244 28.1578 30.2451 30.2478 k = 0.0000 0.0000 0.1825 ( 2175 PWs) bands (ev): -24.8265 -24.8263 4.2110 4.2175 12.9060 12.9120 16.0150 16.0344 17.7557 17.7831 18.2152 18.2404 20.0901 20.1132 20.4510 20.4825 24.8925 24.8997 25.8032 25.8216 28.0982 28.1334 30.3256 30.3293 k = 0.0000 0.0000 0.1939 ( 2171 PWs) bands (ev): -24.8241 -24.8239 4.2472 4.2541 12.9426 12.9490 15.9998 16.0206 17.7043 17.7336 18.2059 18.2330 20.0311 20.0557 20.4493 20.4825 24.8780 24.8855 25.7295 25.7482 28.0720 28.1090 30.3695 30.3736 k = 0.0000 0.0000 0.2053 ( 2175 PWs) bands (ev): -24.8216 -24.8213 4.2857 4.2929 12.9809 12.9877 15.9816 16.0037 17.6539 17.6849 18.1962 18.2253 19.9688 19.9951 20.4480 20.4829 24.8637 24.8714 25.6585 25.6776 28.0460 28.0847 30.3778 30.3817 k = 0.0000 0.0000 0.2167 ( 2175 PWs) bands (ev): -24.8190 -24.8187 4.3263 4.3338 13.0209 13.0281 15.9601 15.9834 17.6051 17.6378 18.1861 18.2170 19.9033 19.9313 20.4471 20.4837 24.8496 24.8575 25.5901 25.6095 28.0204 28.0607 30.3561 30.3595 k = 0.0000 0.0000 0.2281 ( 2175 PWs) bands (ev): -24.8163 -24.8160 4.3692 4.3770 13.0624 13.0699 15.9347 15.9592 17.5586 17.5928 18.1757 18.2085 19.8349 19.8646 20.4467 20.4848 24.8359 24.8440 25.5244 25.5441 27.9955 28.0372 30.3113 30.3141 k = 0.0000 0.0000 0.2395 ( 2171 PWs) bands (ev): -24.8134 -24.8131 4.4142 4.4224 13.1053 13.1132 15.9052 15.9306 17.5152 17.5507 18.1648 18.1995 19.7635 19.7950 20.4468 20.4863 24.8227 24.8309 25.4612 25.4811 27.9713 28.0145 30.2496 30.2516 k = 0.0000 0.0000 0.2509 ( 2171 PWs) bands (ev): -24.8105 -24.8101 4.4615 4.4699 13.1495 13.1578 15.8712 15.8973 17.4754 17.5119 18.1537 18.1903 19.6894 19.7227 20.4474 20.4883 24.8100 24.8184 25.4004 25.4205 27.9481 27.9926 30.1753 30.1768 k = 0.0000 0.0000 0.2623 ( 2171 PWs) bands (ev): -24.8074 -24.8071 4.5109 4.5196 13.1948 13.2035 15.8324 15.8591 17.4397 17.4771 18.1424 18.1809 19.6128 19.6479 20.4485 20.4908 24.7981 24.8065 25.3418 25.3622 27.9261 27.9718 30.0917 30.0926 k = 0.0000 0.0000 0.2737 ( 2171 PWs) bands (ev): -24.8042 -24.8039 4.5626 4.5716 13.2412 13.2502 15.7886 15.8156 17.4086 17.4466 18.1309 18.1713 19.5337 19.5706 20.4502 20.4937 24.7870 24.7954 25.2855 25.3060 27.9053 27.9521 30.0008 30.0012 k = 0.0000 0.0000 0.2851 ( 2171 PWs) bands (ev): -24.8010 -24.8006 4.6164 4.6257 13.2883 13.2978 15.7398 15.7669 17.3825 17.4207 18.1193 18.1616 19.4524 19.4912 20.4524 20.4971 24.7767 24.7852 25.2312 25.2520 27.8859 27.9337 29.9041 29.9041 k = 0.0000 0.0000 0.2965 ( 2171 PWs) bands (ev): -24.7976 -24.7973 4.6724 4.6819 13.3362 13.3460 15.6860 15.7129 17.3614 17.3996 18.1076 18.1519 19.3690 19.4098 20.4552 20.5010 24.7674 24.7758 25.1790 25.1999 27.8680 27.9166 29.8025 29.8028 k = 0.0000 0.0000 0.3079 ( 2171 PWs) bands (ev): -24.7942 -24.7939 4.7306 4.7404 13.3845 13.3947 15.6274 15.6539 17.3454 17.3834 18.0961 18.1422 19.2839 19.3265 20.4586 20.5053 24.7590 24.7674 25.1286 25.1497 27.8517 27.9010 29.6970 29.6977 k = 0.0000 0.0000 0.3193 ( 2171 PWs) bands (ev): -24.7907 -24.7904 4.7910 4.8010 13.4332 13.4437 15.5641 15.5900 17.3345 17.3720 18.0846 18.1328 19.1972 19.2417 20.4625 20.5101 24.7517 24.7600 25.0802 25.1014 27.8371 27.8870 29.5884 29.5894 k = 0.0000 0.0000 0.3307 ( 2169 PWs) bands (ev): -24.7871 -24.7868 4.8536 4.8637 13.4819 13.4928 15.4965 15.5216 17.3286 17.3654 18.0735 18.1236 19.1091 19.1556 20.4669 20.5154 24.7454 24.7536 25.0334 25.0548 27.8242 27.8746 29.4770 29.4783 k = 0.0000 0.0000 0.3421 ( 2169 PWs) bands (ev): -24.7835 -24.7831 4.9184 4.9287 13.5304 13.5417 15.4249 15.4492 17.3273 17.3633 18.0626 18.1147 19.0200 19.0685 20.4718 20.5210 24.7401 24.7482 24.9885 25.0100 27.8131 27.8638 29.3633 29.3649 k = 0.0000 0.0000 0.3535 ( 2177 PWs) bands (ev): -24.7798 -24.7794 4.9853 4.9958 13.5786 13.5902 15.3497 15.3731 17.3305 17.3656 18.0522 18.1063 18.9301 18.9806 20.4771 20.5271 24.7358 24.7437 24.9454 24.9669 27.8038 27.8547 29.2476 29.2494 k = 0.0000 0.0000 0.3649 ( 2177 PWs) bands (ev): -24.7760 -24.7756 5.0543 5.0650 13.6262 13.6382 15.2714 15.2938 17.3378 17.3720 18.0422 18.0984 18.8398 18.8923 20.4829 20.5335 24.7323 24.7400 24.9042 24.9258 27.7963 27.8474 29.1301 29.1321 k = 0.0000 0.0000 0.3763 ( 2181 PWs) bands (ev): -24.7722 -24.7718 5.1256 5.1363 13.6728 13.6852 15.1903 15.2117 17.3490 17.3822 18.0327 18.0911 18.7493 18.8038 20.4891 20.5402 24.7293 24.7364 24.8655 24.8868 27.7908 27.8419 29.0110 29.0132 k = 0.0000 0.0000 0.3877 ( 2188 PWs) bands (ev): -24.7683 -24.7680 5.1989 5.2098 13.7183 13.7310 15.1069 15.1272 17.3639 17.3960 18.0238 18.0843 18.6591 18.7157 20.4956 20.5472 24.7260 24.7318 24.8304 24.8508 27.7871 27.8381 28.8906 28.8930 k = 0.0000 0.0000 0.3991 ( 2184 PWs) bands (ev): -24.7644 -24.7640 5.2744 5.2854 13.7624 13.7754 15.0215 15.0408 17.3821 17.4131 18.0153 18.0779 18.5698 18.6284 20.5025 20.5544 24.7206 24.7232 24.8019 24.8194 27.7853 27.8361 28.7690 28.7715 k = 0.0000 0.0000 0.4105 ( 2184 PWs) bands (ev): -24.7604 -24.7601 5.3521 5.3631 13.8047 13.8180 14.9345 14.9528 17.4035 17.4334 18.0070 18.0714 18.4822 18.5426 20.5096 20.5618 24.7060 24.7097 24.7845 24.7960 27.7854 27.8358 28.6463 28.6490 k = 0.0000 0.0000 0.4219 ( 2184 PWs) bands (ev): -24.7564 -24.7561 5.4318 5.4429 13.8449 13.8586 14.8461 14.8635 17.4278 17.4565 17.9983 18.0640 18.3976 18.4591 20.5170 20.5693 24.6800 24.6902 24.7784 24.7837 27.7874 27.8372 28.5227 28.5255 k = 0.0000 0.0000 0.4333 ( 2184 PWs) bands (ev): -24.7524 -24.7521 5.5136 5.5248 13.8829 13.8969 14.7568 14.7733 17.4548 17.4824 17.9884 18.0536 18.3184 18.3793 20.5245 20.5770 24.6493 24.6637 24.7794 24.7810 27.7912 27.8404 28.3982 28.4012 k = 0.0000 0.0000 0.4447 ( 2184 PWs) bands (ev): -24.7483 -24.7480 5.5975 5.6088 13.9181 13.9325 14.6668 14.6824 17.4843 17.5108 17.9754 18.0355 18.2497 18.3055 20.5321 20.5847 24.6170 24.6336 24.7842 24.7845 27.7968 27.8451 28.2732 28.2761 k = 0.0000 0.0000 0.4561 ( 2184 PWs) bands (ev): -24.7442 -24.7440 5.6835 5.6948 13.9504 13.9651 14.5762 14.5911 17.5162 17.5415 17.9561 18.0021 18.1995 18.2413 20.5398 20.5924 24.5844 24.6023 24.7911 24.7924 27.8040 27.8512 28.1477 28.1505 k = 0.0000 0.0000 0.4676 ( 2184 PWs) bands (ev): -24.7402 -24.7399 5.7716 5.7828 13.9795 13.9945 14.4855 14.4995 17.5503 17.5743 17.9264 17.9494 18.1722 18.1912 20.5476 20.6001 24.5519 24.5706 24.8008 24.8024 27.8128 27.8583 28.0223 28.0245 k = 0.0000 0.0000 0.4790 ( 2184 PWs) bands (ev): -24.7361 -24.7358 5.8617 5.8729 14.0051 14.0204 14.3947 14.4081 17.5863 17.6087 17.8831 17.8836 18.1584 18.1626 20.5553 20.6077 24.5198 24.5391 24.8127 24.8144 27.8226 27.8593 27.8986 27.9038 k = 0.0000 0.0000 0.4904 ( 2184 PWs) bands (ev): -24.7320 -24.7317 5.9538 5.9650 14.0270 14.0425 14.3040 14.3168 17.6236 17.6439 17.8113 17.8302 18.1417 18.1632 20.5629 20.6151 24.4883 24.5080 24.8266 24.8283 27.7628 27.7689 27.8372 27.8839 k = 0.0000 0.0000 0.5018 ( 2180 PWs) bands (ev): -24.7279 -24.7277 6.0479 6.0590 14.0448 14.0605 14.2138 14.2261 17.6586 17.6750 17.7417 17.7751 18.1369 18.1701 20.5705 20.6224 24.4573 24.4773 24.8425 24.8440 27.6369 27.6424 27.8496 27.8943 k = 0.0000 0.0000 0.5132 ( 2176 PWs) bands (ev): -24.7238 -24.7236 6.1440 6.1551 14.0583 14.0733 14.1242 14.1369 17.6460 17.6698 17.7216 17.7545 18.1403 18.1814 20.5778 20.6294 24.4268 24.4472 24.8602 24.8614 27.5095 27.5150 27.8639 27.9069 k = 0.0000 0.0000 0.5246 ( 2172 PWs) bands (ev): -24.7197 -24.7195 6.2420 6.2530 14.0336 14.0421 14.0692 14.0881 17.5787 17.6142 17.7593 17.7849 18.1494 18.1960 20.5850 20.6362 24.3969 24.4176 24.8798 24.8806 27.3817 27.3872 27.8792 27.9205 k = 0.0000 0.0000 0.5360 ( 2168 PWs) bands (ev): -24.7156 -24.7154 6.3420 6.3529 13.9457 13.9551 14.0737 14.0916 17.5078 17.5490 17.8041 17.8268 18.1628 18.2133 20.5920 20.6427 24.3676 24.3885 24.9012 24.9016 27.2536 27.2593 27.8952 27.9347 k = 0.0000 0.0000 0.5474 ( 2180 PWs) bands (ev): -24.7116 -24.7114 6.4438 6.4546 13.8582 13.8673 14.0742 14.0922 17.4381 17.4830 17.8515 17.8724 18.1795 18.2329 20.5986 20.6489 24.3388 24.3599 24.9244 24.9245 27.1255 27.1314 27.9114 27.9490 k = 0.0000 0.0000 0.5588 ( 2184 PWs) bands (ev): -24.7076 -24.7074 6.5475 6.5582 13.7716 13.7803 14.0705 14.0886 17.3704 17.4179 17.9010 17.9203 18.1991 18.2544 20.6050 20.6547 24.3105 24.3319 24.9490 24.9496 26.9973 27.0034 27.9275 27.9630 k = 0.0000 0.0000 0.5702 ( 2184 PWs) bands (ev): -24.7036 -24.7035 6.6531 6.6635 13.6860 13.6943 14.0623 14.0806 17.3050 17.3544 17.9522 17.9701 18.2208 18.2776 20.6111 20.6602 24.2827 24.3043 24.9754 24.9767 26.8690 26.8754 27.9426 27.9759 k = 0.0000 0.0000 0.5816 ( 2180 PWs) bands (ev): -24.6996 -24.6995 6.7604 6.7707 13.6016 13.6095 14.0498 14.0684 17.2421 17.2930 18.0052 18.0215 18.2445 18.3020 20.6168 20.6653 24.2554 24.2773 25.0036 25.0056 26.7409 26.7476 27.9560 27.9867 k = 0.0000 0.0000 0.5930 ( 2180 PWs) bands (ev): -24.6957 -24.6956 6.8695 6.8796 13.5185 13.5260 14.0332 14.0520 17.1818 17.2337 18.0598 18.0742 18.2696 18.3273 20.6222 20.6700 24.2285 24.2508 25.0337 25.0365 26.6129 26.6199 27.9663 27.9942 k = 0.0000 0.0000 0.6044 ( 2182 PWs) bands (ev): -24.6918 -24.6918 6.9803 6.9901 13.4366 13.4438 14.0126 14.0315 17.1240 17.1767 18.1160 18.1282 18.2959 18.3530 20.6272 20.6742 24.2021 24.2247 25.0655 25.0692 26.4850 26.4925 27.9718 27.9963 k = 0.0000 0.0000 0.6158 ( 2180 PWs) bands (ev): -24.6880 -24.6879 7.0927 7.1023 13.3562 13.3630 13.9883 14.0074 17.0689 17.1220 18.1738 18.1829 18.3234 18.3787 20.6318 20.6780 24.1761 24.1991 25.0992 25.1039 26.3574 26.3653 27.9697 27.9904 k = 0.0000 0.0000 0.6272 ( 2180 PWs) bands (ev): -24.6842 -24.6842 7.2068 7.2161 13.2772 13.2837 13.9605 13.9797 17.0162 17.0697 18.2331 18.2376 18.3522 18.4039 20.6360 20.6814 24.1505 24.1739 25.1346 25.1405 26.2301 26.2384 27.9567 27.9728 k = 0.0000 0.0000 0.6386 ( 2180 PWs) bands (ev): -24.6805 -24.6805 7.3224 7.3314 13.1998 13.2059 13.9294 13.9487 16.9660 17.0196 18.2904 18.2938 18.3836 18.4282 20.6399 20.6844 24.1252 24.1491 25.1717 25.1789 26.1032 26.1119 27.9281 27.9387 k = 0.0000 0.0000 0.6500 ( 2176 PWs) bands (ev): -24.6768 -24.6768 7.4395 7.4482 13.1239 13.1297 13.8954 13.9148 16.9181 16.9717 18.3379 18.3561 18.4206 18.4511 20.6433 20.6869 24.1003 24.1247 25.2104 25.2191 25.9767 25.9859 27.8793 27.8836 k = 0.0000 0.0000 0.6614 ( 2168 PWs) bands (ev): -24.6732 -24.6732 7.5580 7.5664 13.0497 13.0552 13.8588 13.8783 16.8725 16.9259 18.3757 18.4197 18.4669 18.4720 20.6464 20.6890 24.0756 24.1007 25.2505 25.2608 25.8507 25.8604 27.8049 27.8071 k = 0.0000 0.0000 0.6728 ( 2172 PWs) bands (ev): -24.6697 -24.6697 7.6778 7.6858 12.9772 12.9824 13.8199 13.8395 16.8290 16.8822 18.4038 18.4846 18.4905 18.5221 20.6491 20.6908 24.0512 24.0769 25.2920 25.3039 25.7254 25.7355 27.7036 27.7120 k = 0.0000 0.0000 0.6842 ( 2168 PWs) bands (ev): -24.6662 -24.6662 7.7989 7.8065 12.9063 12.9113 13.7790 13.7987 16.7876 16.8404 18.4248 18.5057 18.5513 18.5831 20.6515 20.6921 24.0269 24.0535 25.3345 25.3479 25.6012 25.6113 27.5846 27.5982 k = 0.0000 0.0000 0.6956 ( 2168 PWs) bands (ev): -24.6628 -24.6628 7.9211 7.9284 12.8373 12.8420 13.7364 13.7562 16.7481 16.8005 18.4403 18.5176 18.6191 18.6476 20.6535 20.6931 24.0028 24.0302 25.3776 25.3898 25.4807 25.4880 27.4543 27.4720 k = 0.0000 0.0000 0.7070 ( 2168 PWs) bands (ev): -24.6595 -24.6595 8.0444 8.0513 12.7701 12.7746 13.6925 13.7124 16.7103 16.7622 18.4509 18.5255 18.6883 18.7145 20.6552 20.6937 23.9786 24.0071 25.3463 25.3654 25.4211 25.4468 27.3189 27.3400 k = 0.0000 0.0000 0.7184 ( 2168 PWs) bands (ev): -24.6563 -24.6562 8.1687 8.1751 12.7047 12.7089 13.6476 13.6676 16.6742 16.7256 18.4567 18.5290 18.7588 18.7834 20.6566 20.6940 23.9543 23.9840 25.2270 25.2443 25.4637 25.4895 27.1834 27.2073 k = 0.0000 0.0000 0.7298 ( 2168 PWs) bands (ev): -24.6531 -24.6530 8.2938 8.2998 12.6412 12.6452 13.6020 13.6221 16.6396 16.6904 18.4574 18.5277 18.8306 18.8540 20.6577 20.6939 23.9297 23.9608 25.1063 25.1243 25.5049 25.5335 27.0520 27.0784 k = 0.0000 0.0000 0.7412 ( 2166 PWs) bands (ev): -24.6500 -24.6499 8.4197 8.4251 12.5796 12.5834 13.5559 13.5762 16.6065 16.6567 18.4530 18.5213 18.9036 18.9261 20.6586 20.6936 23.9046 23.9373 24.9866 25.0059 25.5432 25.5754 26.9282 26.9570 k = 0.0000 0.0000 0.7526 ( 2170 PWs) bands (ev): -24.6470 -24.6470 8.5461 8.5510 12.5200 12.5236 13.5097 13.5301 16.5746 16.6241 18.4431 18.5095 18.9779 18.9996 20.6593 20.6931 23.8786 23.9132 24.8684 24.8895 25.5769 25.6129 26.8155 26.8464 k = 0.0000 0.0000 0.7640 ( 2170 PWs) bands (ev): -24.6441 -24.6440 8.6729 8.6772 12.4623 12.4657 13.4635 13.4841 16.5439 16.5928 18.4277 18.4920 19.0534 19.0745 20.6597 20.6923 23.8514 23.8883 24.7522 24.7754 25.6036 25.6433 26.7175 26.7500 k = 0.0000 0.0000 0.7754 ( 2174 PWs) bands (ev): -24.6413 -24.6412 8.7999 8.8037 12.4066 12.4098 13.4177 13.4385 16.5142 16.5624 18.4065 18.4689 19.1301 19.1507 20.6599 20.6913 23.8225 23.8618 24.6386 24.6642 25.6206 25.6635 26.6378 26.6712 k = 0.0000 0.0000 0.7869 ( 2182 PWs) bands (ev): -24.6386 -24.6385 8.9270 8.9302 12.3529 12.3560 13.3724 13.3935 16.4855 16.5330 18.3798 18.4400 19.2079 19.2281 20.6600 20.6900 23.7909 23.8332 24.5284 24.5569 25.6253 25.6702 26.5803 26.6132 k = 0.0000 0.0000 0.7983 ( 2182 PWs) bands (ev): -24.6360 -24.6359 9.0539 9.0565 12.3013 12.3042 13.3280 13.3493 16.4576 16.5044 18.3474 18.4055 19.2868 19.3067 20.6599 20.6886 23.7559 23.8012 24.4227 24.4543 25.6160 25.6610 26.5472 26.5776 k = 0.0000 0.0000 0.8097 ( 2182 PWs) bands (ev): -24.6334 -24.6333 9.1805 9.1823 12.2518 12.2545 13.2845 13.3062 16.4304 16.4765 18.3096 18.3655 19.3669 19.3864 20.6597 20.6871 23.7160 23.7644 24.3233 24.3579 25.5928 25.6361 26.5383 26.5643 k = 0.0000 0.0000 0.8211 ( 2178 PWs) bands (ev): -24.6310 -24.6309 9.3064 9.3075 12.2043 12.2069 13.2423 13.2642 16.4038 16.4492 18.2666 18.3204 19.4479 19.4672 20.6594 20.6854 23.6697 23.7208 24.2320 24.2692 25.5579 25.5982 26.5507 26.5711 k = 0.0000 0.0000 0.8325 ( 2178 PWs) bands (ev): -24.6287 -24.6286 9.4313 9.4318 12.1589 12.1614 13.2015 13.2237 16.3777 16.4224 18.2189 18.2704 19.5299 19.5490 20.6590 20.6836 23.6156 23.6681 24.1511 24.1897 25.5145 25.5513 26.5800 26.5944 k = 0.0000 0.0000 0.8439 ( 2178 PWs) bands (ev): -24.6264 -24.6263 9.5547 9.5550 12.1157 12.1180 13.1622 13.1847 16.3520 16.3959 18.1669 18.2161 19.6129 19.6318 20.6585 20.6816 23.5525 23.6049 24.0823 24.1207 25.4660 25.4994 26.6217 26.6302 k = 0.0000 0.0000 0.8553 ( 2178 PWs) bands (ev): -24.6243 -24.6242 9.6761 9.6771 12.0746 12.0767 13.1246 13.1475 16.3266 16.3696 18.1111 18.1581 19.6967 19.7156 20.6580 20.6796 23.4804 23.5307 24.0261 24.0624 25.4155 25.4457 26.6721 26.6751 k = 0.0000 0.0000 0.8667 ( 2182 PWs) bands (ev): -24.6223 -24.6222 9.7954 9.7972 12.0356 12.0376 13.0890 13.1121 16.3014 16.3435 18.0523 18.0970 19.7812 19.8001 20.6574 20.6776 23.3999 23.4469 23.9810 24.0140 25.3649 25.3924 26.7264 26.7283 k = 0.0000 0.0000 0.8781 ( 2182 PWs) bands (ev): -24.6204 -24.6203 9.9124 9.9149 11.9988 12.0007 13.0553 13.0787 16.2762 16.3174 17.9910 18.0335 19.8665 19.8854 20.6569 20.6754 23.3126 23.3557 23.9451 23.9742 25.3159 25.3410 26.7819 26.7881 k = 0.0000 0.0000 0.8895 ( 2174 PWs) bands (ev): -24.6186 -24.6185 10.0265 10.0298 11.9642 11.9659 13.0239 13.0474 16.2511 16.2912 17.9282 17.9683 19.9523 19.9713 20.6563 20.6733 23.2201 23.2594 23.9161 23.9414 25.2694 25.2923 26.8398 26.8497 k = 0.0000 0.0000 0.9009 ( 2176 PWs) bands (ev): -24.6169 -24.6168 10.1373 10.1413 11.9317 11.9333 12.9947 13.0183 16.2260 16.2649 17.8646 17.9024 20.0386 20.0577 20.6559 20.6711 23.1241 23.1598 23.8924 23.9141 25.2260 25.2470 26.8990 26.9119 k = 0.0000 0.0000 0.9123 ( 2176 PWs) bands (ev): -24.6153 -24.6152 10.2443 10.2489 11.9015 11.9030 12.9679 12.9915 16.2009 16.2384 17.8011 17.8366 20.1251 20.1444 20.6556 20.6690 23.0259 23.0584 23.8726 23.8912 25.1860 25.2053 26.9581 26.9736 k = 0.0000 0.0000 0.9237 ( 2176 PWs) bands (ev): -24.6138 -24.6137 10.3469 10.3521 11.8734 11.8748 12.9436 12.9671 16.1758 16.2118 17.7386 17.7718 20.2115 20.2313 20.6555 20.6669 22.9266 22.9563 23.8558 23.8718 25.1496 25.1672 27.0164 27.0338 k = 0.0000 0.0000 0.9351 ( 2170 PWs) bands (ev): -24.6125 -24.6124 10.4445 10.4502 11.8476 11.8489 12.9219 12.9450 16.1507 16.1850 17.6780 17.7087 20.2976 20.3181 20.6558 20.6650 22.8270 22.8543 23.8415 23.8551 25.1168 25.1328 27.0729 27.0917 k = 0.0000 0.0000 0.9465 ( 2170 PWs) bands (ev): -24.6112 -24.6111 10.5364 10.5426 11.8240 11.8251 12.9028 12.9254 16.1259 16.1583 17.6201 17.6483 20.3826 20.4043 20.6569 20.6632 22.7280 22.7532 23.8292 23.8408 25.0874 25.1019 27.1271 27.1466 k = 0.0000 0.0000 0.9579 ( 2166 PWs) bands (ev): -24.6101 -24.6100 10.6222 10.6287 11.8027 11.8037 12.8863 12.9080 16.1015 16.1317 17.5656 17.5914 20.4654 20.4894 20.6595 20.6619 22.6304 22.6536 23.8186 23.8284 25.0615 25.0746 27.1782 27.1979 k = 0.0000 0.0000 0.9693 ( 2166 PWs) bands (ev): -24.6091 -24.6090 10.7011 10.7077 11.7835 11.7844 12.8723 12.8930 16.0780 16.1057 17.5154 17.5386 20.5425 20.5717 20.6620 20.6667 22.5349 22.5563 23.8095 23.8178 25.0389 25.0505 27.2258 27.2450 k = 0.0000 0.0000 0.9807 ( 2170 PWs) bands (ev): -24.6082 -24.6081 10.7726 10.7790 11.7666 11.7674 12.8609 12.8801 16.0556 16.0806 17.4700 17.4905 20.6019 20.6379 20.6762 20.6897 22.4426 22.4622 23.8017 23.8087 25.0195 25.0296 27.2692 27.2875 k = 0.0000 0.0000 0.9921 ( 2166 PWs) bands (ev): -24.6074 -24.6074 10.8360 10.8421 11.7520 11.7527 12.8519 12.8693 16.0349 16.0570 17.4301 17.4478 20.6277 20.6499 20.7417 20.7433 22.3546 22.3724 23.7952 23.8009 25.0031 25.0118 27.3080 27.3248 k = 0.0000 0.0000 1.0035 ( 2166 PWs) bands (ev): -24.6067 -24.6067 10.8908 10.8964 11.7396 11.7402 12.8451 12.8603 16.0164 16.0352 17.3959 17.4108 20.6359 20.6502 20.8103 20.8144 22.2725 22.2883 23.7899 23.7945 24.9895 24.9968 27.3419 27.3567 k = 0.0000 0.0000 1.0149 ( 2162 PWs) bands (ev): -24.6062 -24.6062 10.9365 10.9413 11.7295 11.7299 12.8403 12.8530 16.0006 16.0160 17.3679 17.3798 20.6394 20.6493 20.8759 20.8816 22.1985 22.2120 23.7856 23.7892 24.9787 24.9846 27.3704 27.3829 k = 0.0000 0.0000 1.0263 ( 2158 PWs) bands (ev): -24.6058 -24.6057 10.9727 10.9765 11.7216 11.7220 12.8373 12.8472 15.9881 15.9998 17.3462 17.3552 20.6413 20.6482 20.9341 20.9398 22.1353 22.1462 23.7825 23.7851 24.9706 24.9750 27.3934 27.4030 k = 0.0000 0.0000 1.0377 ( 2158 PWs) bands (ev): -24.6055 -24.6055 10.9990 11.0017 11.7160 11.7162 12.8359 12.8426 15.9794 15.9873 17.3311 17.3371 20.6427 20.6471 20.9808 20.9853 22.0865 22.0943 23.7803 23.7821 24.9651 24.9680 27.4104 27.4170 k = 0.0000 0.0000 1.0491 ( 2154 PWs) bands (ev): -24.6053 -24.6053 11.0152 11.0165 11.7127 11.7128 12.8358 12.8393 15.9748 15.9788 17.3225 17.3256 20.6438 20.6460 21.0116 21.0141 22.0559 22.0600 23.7792 23.7801 24.9621 24.9636 27.4214 27.4248 k = 0.0000 0.0000 1.0605 ( 2146 PWs) bands (ev): -24.6052 -24.6052 11.0211 11.0211 11.7116 11.7116 12.8370 12.8370 15.9746 15.9746 17.3207 17.3207 20.6449 20.6449 21.0233 21.0233 22.0467 22.0467 23.7792 23.7792 24.9616 24.9616 27.4262 27.4262 k = 0.0000 0.0000 1.0605 ( 2146 PWs) bands (ev): -24.6052 -24.6052 11.0211 11.0211 11.7116 11.7116 12.8370 12.8370 15.9746 15.9746 17.3207 17.3207 20.6449 20.6449 21.0233 21.0233 22.0467 22.0467 23.7792 23.7792 24.9616 24.9616 27.4262 27.4262 k =-0.0051 0.0095 1.0605 ( 2154 PWs) bands (ev): -24.6053 -24.6053 11.0082 11.0093 11.7234 11.7236 12.8377 12.8379 15.9742 15.9749 17.3211 17.3215 20.6406 20.6440 21.0169 21.0214 22.0453 22.0455 23.7767 23.7819 24.9624 24.9716 27.4298 27.4344 k =-0.0102 0.0191 1.0605 ( 2154 PWs) bands (ev): -24.6054 -24.6054 10.9731 10.9752 11.7568 11.7573 12.8399 12.8402 15.9738 15.9751 17.3228 17.3236 20.6312 20.6381 21.0024 21.0114 22.0413 22.0417 23.7747 23.7848 24.9740 24.9921 27.4450 27.4543 k =-0.0153 0.0286 1.0605 ( 2154 PWs) bands (ev): -24.6057 -24.6056 10.9207 10.9238 11.8068 11.8075 12.8436 12.8441 15.9733 15.9752 17.3257 17.3270 20.6165 20.6274 20.9797 20.9937 22.0347 22.0353 23.7733 23.7880 24.9963 25.0230 27.4718 27.4856 k =-0.0204 0.0382 1.0605 ( 2156 PWs) bands (ev): -24.6060 -24.6060 10.8562 10.8602 11.8682 11.8693 12.8488 12.8495 15.9726 15.9751 17.3298 17.3315 20.5967 20.6119 20.9493 20.9689 22.0256 22.0263 23.7724 23.7914 25.0293 25.0638 27.5098 27.5279 k =-0.0255 0.0477 1.0605 ( 2164 PWs) bands (ev): -24.6065 -24.6064 10.7834 10.7883 11.9372 11.9386 12.8556 12.8565 15.9718 15.9749 17.3352 17.3373 20.5716 20.5919 20.9116 20.9374 22.0140 22.0148 23.7724 23.7950 25.0726 25.1143 27.5587 27.5809 k =-0.0306 0.0573 1.0605 ( 2168 PWs) bands (ev): -24.6070 -24.6070 10.7049 10.7107 12.0111 12.0130 12.8638 12.8649 15.9707 15.9745 17.3417 17.3443 20.5415 20.5676 20.8673 20.9000 22.0001 22.0009 23.7732 23.7989 25.1260 25.1739 27.6179 27.6439 k =-0.0357 0.0668 1.0605 ( 2168 PWs) bands (ev): -24.6077 -24.6076 10.6224 10.6291 12.0885 12.0906 12.8736 12.8749 15.9692 15.9737 17.3495 17.3526 20.5063 20.5391 20.8171 20.8577 21.9838 21.9847 23.7750 23.8032 25.1889 25.2423 27.6870 27.7165 k =-0.0408 0.0764 1.0605 ( 2168 PWs) bands (ev): -24.6084 -24.6084 10.5370 10.5445 12.1681 12.1706 12.8849 12.8863 15.9673 15.9725 17.3585 17.3620 20.4660 20.5064 20.7620 20.8112 21.9653 21.9662 23.7778 23.8080 25.2610 25.3190 27.7652 27.7979 k =-0.0459 0.0859 1.0605 ( 2166 PWs) bands (ev): -24.6093 -24.6092 10.4494 10.4578 12.2493 12.2520 12.8976 12.8993 15.9649 15.9707 17.3687 17.3726 20.4208 20.4695 20.7032 20.7616 21.9448 21.9456 23.7818 23.8133 25.3418 25.4037 27.8520 27.8876 k =-0.0510 0.0955 1.0605 ( 2166 PWs) bands (ev): -24.6102 -24.6101 10.3601 10.3695 12.3315 12.3344 12.9119 12.9137 15.9618 15.9684 17.3801 17.3845 20.3708 20.4280 20.6419 20.7098 21.9224 21.9231 23.7869 23.8193 25.4309 25.4958 27.9466 27.9847 k =-0.0561 0.1050 1.0605 ( 2166 PWs) bands (ev): -24.6112 -24.6111 10.2696 10.2798 12.4145 12.4176 12.9276 12.9297 15.9579 15.9653 17.3926 17.3974 20.3160 20.3815 20.5797 20.6568 21.8981 21.8986 23.7932 23.8261 25.5277 25.5950 28.0483 28.0887 k =-0.0612 0.1146 1.0605 ( 2166 PWs) bands (ev): -24.6123 -24.6122 10.1779 10.1892 12.4979 12.5012 12.9448 12.9470 15.9532 15.9612 17.4062 17.4115 20.2567 20.3290 20.5186 20.6032 21.8721 21.8725 23.8008 23.8337 25.6318 25.7010 28.1565 28.1988 k =-0.0663 0.1241 1.0605 ( 2166 PWs) bands (ev): -24.6136 -24.6134 10.0855 10.0976 12.5817 12.5851 12.9634 12.9659 15.9474 15.9562 17.4210 17.4268 20.1933 20.2701 20.4599 20.5497 21.8447 21.8449 23.8095 23.8422 25.7429 25.8134 28.2705 28.3144 k =-0.0714 0.1336 1.0605 ( 2162 PWs) bands (ev): -24.6149 -24.6147 9.9923 10.0054 12.6657 12.6690 12.9835 12.9862 15.9404 15.9501 17.4368 17.4431 20.1261 20.2049 20.4047 20.4968 21.8158 21.8159 23.8196 23.8516 25.8605 25.9319 28.3896 28.4349 k =-0.0714 0.1336 1.0605 ( 2162 PWs) bands (ev): -24.6149 -24.6147 9.9923 10.0054 12.6657 12.6690 12.9835 12.9862 15.9404 15.9501 17.4368 17.4431 20.1261 20.2049 20.4047 20.4968 21.8158 21.8159 23.8196 23.8516 25.8605 25.9319 28.3896 28.4349 k =-0.0752 0.1407 1.0526 ( 2168 PWs) bands (ev): -24.6159 -24.6158 9.9228 9.9366 12.7218 12.7252 13.0031 13.0064 15.9358 15.9464 17.4505 17.4576 20.0732 20.1515 20.3653 20.4572 21.7963 21.7968 23.8283 23.8598 25.9513 26.0232 28.4783 28.5243 k =-0.0790 0.1477 1.0446 ( 2168 PWs) bands (ev): -24.6171 -24.6169 9.8522 9.8667 12.7635 12.7670 13.0345 13.0384 15.9331 15.9454 17.4676 17.4760 20.0157 20.0919 20.3267 20.4167 21.7812 21.7822 23.8390 23.8697 26.0459 26.1178 28.5649 28.6113 k =-0.0827 0.1547 1.0366 ( 2166 PWs) bands (ev): -24.6183 -24.6182 9.7809 9.7961 12.7882 12.7925 13.0796 13.0838 15.9328 15.9472 17.4881 17.4981 19.9538 20.0263 20.2896 20.3762 21.7700 21.7712 23.8517 23.8815 26.1439 26.2157 28.6488 28.6951 k =-0.0865 0.1618 1.0286 ( 2166 PWs) bands (ev): -24.6197 -24.6195 9.7090 9.7249 12.7978 12.8037 13.1360 13.1402 15.9350 15.9517 17.5120 17.5238 19.8876 19.9555 20.2542 20.3363 21.7618 21.7632 23.8666 23.8954 26.2451 26.3165 28.7291 28.7750 k =-0.0902 0.1688 1.0207 ( 2166 PWs) bands (ev): -24.6211 -24.6209 9.6368 9.6534 12.7964 12.8042 13.1994 13.2037 15.9399 15.9590 17.5390 17.5529 19.8178 19.8804 20.2204 20.2976 21.7562 21.7576 23.8837 23.9115 26.3492 26.4201 28.8052 28.8499 k =-0.0940 0.1758 1.0127 ( 2166 PWs) bands (ev): -24.6226 -24.6224 9.5644 9.5817 12.7873 12.7971 13.2666 13.2709 15.9476 15.9692 17.5692 17.5852 19.7448 19.8020 20.1881 20.2603 21.7525 21.7540 23.9032 23.9299 26.4561 26.5262 28.8763 28.9192 k =-0.0978 0.1829 1.0047 ( 2166 PWs) bands (ev): -24.6243 -24.6240 9.4920 9.5100 12.7724 12.7841 13.3353 13.3398 15.9581 15.9822 17.6024 17.6205 19.6691 19.7211 20.1571 20.2245 21.7505 21.7520 23.9251 23.9508 26.5656 26.6347 28.9417 28.9822 k =-0.1015 0.1899 0.9968 ( 2168 PWs) bands (ev): -24.6259 -24.6257 9.4198 9.4385 12.7529 12.7665 13.4044 13.4092 15.9715 15.9980 17.6384 17.6587 19.5915 19.6385 20.1272 20.1902 21.7497 21.7511 23.9497 23.9743 26.6773 26.7453 29.0009 29.0383 k =-0.1053 0.1969 0.9888 ( 2176 PWs) bands (ev): -24.6277 -24.6275 9.3478 9.3672 12.7295 12.7448 13.4732 13.4783 15.9878 16.0165 17.6769 17.6994 19.5124 19.5549 20.0984 20.1573 21.7499 21.7513 23.9770 24.0005 26.7912 26.8579 29.0536 29.0874 k =-0.1090 0.2040 0.9808 ( 2176 PWs) bands (ev): -24.6296 -24.6293 9.2762 9.2962 12.7027 12.7196 13.5413 13.5467 16.0067 16.0377 17.7178 17.7425 19.4325 19.4707 20.0705 20.1258 21.7508 21.7522 24.0071 24.0296 26.9070 26.9721 29.0997 29.1291 k =-0.1128 0.2110 0.9728 ( 2176 PWs) bands (ev): -24.6315 -24.6312 9.2051 9.2258 12.6727 12.6911 13.6083 13.6142 16.0284 16.0614 17.7607 17.7877 19.3522 19.3864 20.0436 20.0957 21.7525 21.7538 24.0401 24.0617 27.0245 27.0879 29.1392 29.1639 k =-0.1166 0.2180 0.9649 ( 2176 PWs) bands (ev): -24.6334 -24.6332 9.1346 9.1559 12.6399 12.6596 13.6742 13.6807 16.0525 16.0874 17.8053 17.8347 19.2719 19.3024 20.0177 20.0668 21.7546 21.7558 24.0762 24.0970 27.1434 27.2050 29.1724 29.1919 k =-0.1203 0.2251 0.9569 ( 2176 PWs) bands (ev): -24.6355 -24.6352 9.0647 9.0867 12.6045 12.6253 13.7389 13.7459 16.0790 16.1157 17.8513 17.8831 19.1920 19.2192 19.9926 20.0392 21.7572 21.7583 24.1155 24.1354 27.2634 27.3231 29.1998 29.2137 k =-0.1241 0.2321 0.9489 ( 2172 PWs) bands (ev): -24.6375 -24.6373 8.9956 9.0182 12.5666 12.5885 13.8023 13.8100 16.1078 16.1461 17.8983 17.9325 19.1131 19.1370 19.9684 20.0127 21.7602 21.7612 24.1580 24.1772 27.3842 27.4418 29.2219 29.2301 k =-0.1278 0.2391 0.9409 ( 2168 PWs) bands (ev): -24.6397 -24.6394 8.9273 8.9505 12.5265 12.5493 13.8645 13.8728 16.1385 16.1784 17.9458 17.9825 19.0355 19.0563 19.9452 19.9875 21.7634 21.7644 24.2039 24.2225 27.5056 27.5609 29.2395 29.2417 k =-0.1316 0.2462 0.9330 ( 2171 PWs) bands (ev): -24.6419 -24.6415 8.8598 8.8836 12.4844 12.5080 13.9253 13.9344 16.1711 16.2124 17.9931 18.0325 18.9598 18.9774 19.9229 19.9634 21.7669 21.7680 24.2533 24.2714 27.6269 27.6799 29.2494 29.2535 k =-0.1354 0.2532 0.9250 ( 2179 PWs) bands (ev): -24.6441 -24.6438 8.7934 8.8177 12.4405 12.4648 13.9849 13.9948 16.2054 16.2479 18.0395 18.0818 18.8865 18.9010 19.9016 19.9405 21.7707 21.7719 24.3063 24.3239 27.7478 27.7982 29.2543 29.2648 k =-0.1391 0.2602 0.9170 ( 2181 PWs) bands (ev): -24.6463 -24.6460 8.7279 8.7528 12.3950 12.4199 14.0432 14.0540 16.2412 16.2849 18.0841 18.1294 18.8165 18.8280 19.8812 19.9187 21.7747 21.7761 24.3630 24.3801 27.8673 27.9153 29.2573 29.2746 k =-0.1429 0.2673 0.9090 ( 2189 PWs) bands (ev): -24.6486 -24.6483 8.6636 8.6890 12.3481 12.3734 14.1003 14.1120 16.2783 16.3231 18.1253 18.1740 18.7511 18.7594 19.8619 19.8981 21.7789 21.7806 24.4234 24.4402 27.9847 28.0302 29.2599 29.2842 k =-0.1466 0.2743 0.9011 ( 2183 PWs) bands (ev): -24.6509 -24.6506 8.6003 8.6263 12.3001 12.3257 14.1561 14.1687 16.3167 16.3624 18.1611 18.2131 18.6921 18.6975 19.8436 19.8787 21.7833 21.7854 24.4877 24.5041 28.0985 28.1417 29.2635 29.2952 k =-0.1504 0.2813 0.8931 ( 2180 PWs) bands (ev): -24.6533 -24.6529 8.5382 8.5647 12.2510 12.2769 14.2107 14.2243 16.3561 16.4027 18.1882 18.2429 18.6426 18.6459 19.8263 19.8603 21.7879 21.7906 24.5559 24.5720 28.2071 28.2484 29.2701 29.3095 k =-0.1542 0.2884 0.8851 ( 2180 PWs) bands (ev): -24.6556 -24.6552 8.4774 8.5043 12.2011 12.2272 14.2640 14.2787 16.3964 16.4439 18.2025 18.2580 18.6075 18.6092 19.8100 19.8432 21.7928 21.7960 24.6279 24.6438 28.3083 28.3482 29.2821 29.3295 k =-0.1579 0.2954 0.8771 ( 2178 PWs) bands (ev): -24.6580 -24.6576 8.4178 8.4452 12.1506 12.1768 14.3161 14.3318 16.4375 16.4857 18.1999 18.2527 18.5904 18.5926 19.7949 19.8272 21.7978 21.8017 24.7040 24.7196 28.3996 28.4387 29.3027 29.3577 k =-0.1617 0.3024 0.8692 ( 2178 PWs) bands (ev): -24.6603 -24.6599 8.3595 8.3874 12.0997 12.1259 14.3669 14.3838 16.4792 16.5281 18.1799 18.2271 18.5897 18.5981 19.7808 19.8123 21.8030 21.8076 24.7840 24.7993 28.4783 28.5169 29.3352 29.3969 k =-0.1654 0.3094 0.8612 ( 2179 PWs) bands (ev): -24.6627 -24.6623 8.3026 8.3309 12.0485 12.0746 14.4164 14.4344 16.5214 16.5710 18.1463 18.1872 18.6031 18.6180 19.7679 19.7987 21.8084 21.8139 24.8679 24.8830 28.5425 28.5801 29.3823 29.4489 k =-0.1692 0.3165 0.8532 ( 2177 PWs) bands (ev): -24.6650 -24.6646 8.2471 8.2758 11.9973 12.0233 14.4645 14.4838 16.5639 16.6142 18.1039 18.1394 18.6252 18.6458 19.7561 19.7862 21.8140 21.8204 24.9557 24.9705 28.5916 28.6271 29.4457 29.5149 k =-0.1729 0.3235 0.8453 ( 2175 PWs) bands (ev): -24.6674 -24.6669 8.1930 8.2221 11.9461 11.9719 14.5114 14.5318 16.6067 16.6575 18.0571 18.0882 18.6519 18.6769 19.7455 19.7748 21.8198 21.8271 25.0473 25.0619 28.6262 28.6585 29.5248 29.5940 k =-0.1767 0.3305 0.8373 ( 2175 PWs) bands (ev): -24.6697 -24.6692 8.1404 8.1699 11.8951 11.9208 14.5569 14.5785 16.6495 16.7009 18.0085 18.0361 18.6804 18.7088 19.7360 19.7647 21.8257 21.8340 25.1425 25.1568 28.6486 28.6766 29.6171 29.6847 k =-0.1805 0.3376 0.8293 ( 2175 PWs) bands (ev): -24.6720 -24.6715 8.0893 8.1191 11.8446 11.8700 14.6009 14.6238 16.6922 16.7440 17.9598 17.9846 18.7088 18.7399 19.7277 19.7557 21.8317 21.8412 25.2412 25.2553 28.6610 28.6845 29.7197 29.7846 k =-0.1842 0.3446 0.8213 ( 2177 PWs) bands (ev): -24.6743 -24.6738 8.0397 8.0699 11.7945 11.8196 14.6435 14.6676 16.7345 16.7867 17.9122 17.9347 18.7361 18.7693 19.7205 19.7479 21.8378 21.8485 25.3433 25.3571 28.6661 28.6851 29.8297 29.8913 k =-0.1880 0.3516 0.8134 ( 2179 PWs) bands (ev): -24.6765 -24.6760 7.9916 8.0222 11.7452 11.7700 14.6847 14.7100 16.7761 16.8287 17.8667 17.8871 18.7616 18.7964 19.7146 19.7412 21.8439 21.8559 25.4484 25.4619 28.6659 28.6806 29.9447 30.0029 k =-0.1917 0.3587 0.8054 ( 2177 PWs) bands (ev): -24.6787 -24.6782 7.9452 7.9761 11.6966 11.7211 14.7243 14.7509 16.8168 16.8696 17.8239 17.8424 18.7847 18.8208 19.7098 19.7356 21.8501 21.8634 25.5562 25.5695 28.6621 28.6731 30.0629 30.1175 k =-0.1955 0.3657 0.7974 ( 2175 PWs) bands (ev): -24.6808 -24.6803 7.9004 7.9315 11.6490 11.6731 14.7623 14.7902 16.8561 16.9090 17.7844 17.8012 18.8052 18.8422 19.7062 19.7312 21.8563 21.8709 25.6664 25.6796 28.6561 28.6641 30.1825 30.2339 k =-0.1993 0.3727 0.7894 ( 2173 PWs) bands (ev): -24.6829 -24.6824 7.8572 7.8886 11.6025 11.6262 14.7988 14.8279 16.8936 16.9463 17.7491 17.7641 18.8227 18.8604 19.7037 19.7278 21.8625 21.8785 25.7786 25.7916 28.6488 28.6551 30.3026 30.3507 k =-0.2030 0.3798 0.7815 ( 2175 PWs) bands (ev): -24.6850 -24.6845 7.8157 7.8474 11.5571 11.5804 14.8337 14.8639 16.9286 16.9808 17.7188 17.7317 18.8371 18.8753 19.7022 19.7254 21.8687 21.8860 25.8923 25.9051 28.6410 28.6471 30.4219 30.4671 k =-0.2068 0.3868 0.7735 ( 2175 PWs) bands (ev): -24.6870 -24.6864 7.7758 7.8078 11.5130 11.5359 14.8670 14.8984 16.9604 17.0116 17.6942 17.7049 18.8484 18.8868 19.7018 19.7241 21.8747 21.8934 26.0068 26.0196 28.6337 28.6409 30.5395 30.5820 k =-0.2105 0.3938 0.7655 ( 2180 PWs) bands (ev): -24.6889 -24.6884 7.7377 7.7700 11.4702 11.4927 14.8986 14.9311 16.9882 17.0380 17.6762 17.6844 18.8564 18.8949 19.7023 19.7236 21.8807 21.9008 26.1216 26.1344 28.6279 28.6369 30.6545 30.6946 k =-0.2143 0.4009 0.7575 ( 2180 PWs) bands (ev): -24.6908 -24.6902 7.7014 7.7338 11.4290 11.4510 14.9286 14.9621 17.0112 17.0589 17.6656 17.6712 18.8612 18.8997 19.7038 19.7241 21.8865 21.9080 26.2360 26.2487 28.6248 28.6357 30.7661 30.8042 k =-0.2181 0.4079 0.7496 ( 2180 PWs) bands (ev): -24.6926 -24.6920 7.6667 7.6994 11.3893 11.4109 14.9568 14.9915 17.0289 17.0739 17.6624 17.6665 18.8628 18.9012 19.7060 19.7253 21.8921 21.9150 26.3490 26.3618 28.6251 28.6378 30.8734 30.9099 k =-0.2218 0.4149 0.7416 ( 2178 PWs) bands (ev): -24.6944 -24.6938 7.6339 7.6668 11.3513 11.3725 14.9835 15.0191 17.0409 17.0827 17.6656 17.6715 18.8612 18.8995 19.7088 19.7271 21.8975 21.9217 26.4597 26.4727 28.6295 28.6439 30.9755 31.0109 k =-0.2256 0.4220 0.7336 ( 2174 PWs) bands (ev): -24.6960 -24.6954 7.6028 7.6359 11.3150 11.3358 15.0084 15.0450 17.0472 17.0857 17.6758 17.6852 18.8565 18.8946 19.7123 19.7296 21.9027 21.9282 26.5672 26.5803 28.6388 28.6547 31.0716 31.1065 k =-0.2293 0.4290 0.7256 ( 2176 PWs) bands (ev): -24.6976 -24.6970 7.5735 7.6068 11.2806 11.3009 15.0317 15.0692 17.0484 17.0836 17.6930 17.7061 18.8490 18.8868 19.7162 19.7326 21.9077 21.9345 26.6705 26.6837 28.6536 28.6709 31.1611 31.1960 k =-0.2331 0.4360 0.7177 ( 2180 PWs) bands (ev): -24.6991 -24.6985 7.5461 7.5795 11.2480 11.2680 15.0533 15.0917 17.0455 17.0776 17.7163 17.7329 18.8386 18.8761 19.7205 19.7359 21.9124 21.9404 26.7684 26.7817 28.6745 28.6928 31.2432 31.2787 k =-0.2369 0.4431 0.7097 ( 2176 PWs) bands (ev): -24.7005 -24.6998 7.5205 7.5541 11.2174 11.2370 15.0733 15.1124 17.0392 17.0686 17.7446 17.7643 18.8256 18.8628 19.7251 19.7395 21.9168 21.9459 26.8600 26.8732 28.7019 28.7210 31.3176 31.3542 k =-0.2406 0.4501 0.7017 ( 2183 PWs) bands (ev): -24.7018 -24.7011 7.4967 7.5305 11.1889 11.2080 15.0916 15.1316 17.0307 17.0579 17.7770 17.7992 18.8103 18.8470 19.7298 19.7434 21.9209 21.9511 26.9443 26.9573 28.7360 28.7556 31.3839 31.4221 k =-0.2444 0.4571 0.6938 ( 2183 PWs) bands (ev): -24.7030 -24.7024 7.4748 7.5087 11.1624 11.1812 15.1084 15.1490 17.0207 17.0461 17.8122 17.8364 18.7927 18.8290 19.7345 19.7473 21.9247 21.9560 27.0206 27.0333 28.7768 28.7964 31.4422 31.4820 k =-0.2481 0.4641 0.6858 ( 2183 PWs) bands (ev): -24.7041 -24.7035 7.4548 7.4888 11.1380 11.1565 15.1236 15.1648 17.0101 17.0339 17.8495 17.8751 18.7732 18.8090 19.7392 19.7512 21.9283 21.9604 27.0886 27.1007 28.8235 28.8429 31.4924 31.5341 k =-0.2519 0.4712 0.6778 ( 2181 PWs) bands (ev): -24.7051 -24.7045 7.4366 7.4707 11.1158 11.1340 15.1372 15.1790 16.9993 17.0219 17.8880 17.9145 18.7521 18.7872 19.7437 19.7550 21.9314 21.9644 27.1481 27.1594 28.8752 28.8939 31.5349 31.5785 k =-0.2557 0.4782 0.6698 ( 2183 PWs) bands (ev): -24.7060 -24.7054 7.4203 7.4545 11.0958 11.1137 15.1494 15.1917 16.9888 17.0105 17.9269 17.9538 18.7298 18.7640 19.7480 19.7586 21.9343 21.9681 27.1992 27.2095 28.9305 28.9481 31.5702 31.6156 k =-0.2594 0.4852 0.6619 ( 2185 PWs) bands (ev): -24.7069 -24.7062 7.4060 7.4402 11.0781 11.0957 15.1600 15.2027 16.9790 16.9999 17.9656 17.9922 18.7067 18.7399 19.7519 19.7619 21.9368 21.9713 27.2422 27.2515 28.9874 29.0036 31.5989 31.6460 k =-0.2632 0.4923 0.6539 ( 2179 PWs) bands (ev): -24.7076 -24.7069 7.3935 7.4278 11.0627 11.0801 15.1691 15.2123 16.9701 16.9903 18.0032 18.0290 18.6836 18.7153 19.7555 19.7650 21.9390 21.9740 27.2779 27.2860 29.0438 29.0583 31.6217 31.6702 k =-0.2669 0.4993 0.6459 ( 2179 PWs) bands (ev): -24.7082 -24.7075 7.3829 7.4173 11.0496 11.0668 15.1768 15.2203 16.9623 16.9820 18.0389 18.0631 18.6611 18.6909 19.7587 19.7677 21.9409 21.9764 27.3067 27.3136 29.0973 29.1099 31.6391 31.6889 k =-0.2707 0.5063 0.6379 ( 2179 PWs) bands (ev): -24.7087 -24.7080 7.3743 7.4087 11.0389 11.0559 15.1831 15.2268 16.9558 16.9751 18.0718 18.0934 18.6404 18.6676 19.7614 19.7699 21.9424 21.9783 27.3294 27.3349 29.1455 29.1559 31.6521 31.7030 k =-0.2744 0.5134 0.6300 ( 2181 PWs) bands (ev): -24.7091 -24.7084 7.3676 7.4021 11.0305 11.0474 15.1879 15.2319 16.9506 16.9697 18.1006 18.1186 18.6225 18.6465 19.7635 19.7717 21.9436 21.9798 27.3466 27.3507 29.1861 29.1941 31.6613 31.7130 k =-0.2782 0.5204 0.6220 ( 2181 PWs) bands (ev): -24.7093 -24.7087 7.3627 7.3973 11.0245 11.0413 15.1914 15.2355 16.9468 16.9657 18.1239 18.1371 18.6088 18.6292 19.7650 19.7730 21.9444 21.9809 27.3586 27.3614 29.2171 29.2227 31.6674 31.7196 k =-0.2820 0.5274 0.6140 ( 2181 PWs) bands (ev): -24.7095 -24.7088 7.3599 7.3944 11.0209 11.0376 15.1935 15.2376 16.9446 16.9633 18.1403 18.1474 18.6004 18.6174 19.7660 19.7738 21.9449 21.9816 27.3660 27.3674 29.2368 29.2400 31.6708 31.7234 k =-0.2857 0.5345 0.6060 ( 2181 PWs) bands (ev): -24.7096 -24.7089 7.3589 7.3934 11.0197 11.0364 15.1942 15.2383 16.9438 16.9625 18.1474 18.1495 18.5976 18.6132 19.7663 19.7741 21.9451 21.9818 27.3688 27.3690 29.2438 29.2455 31.6719 31.7246 k =-0.2857 0.5345 0.6060 ( 2181 PWs) bands (ev): -24.7096 -24.7089 7.3589 7.3934 11.0197 11.0364 15.1942 15.2383 16.9438 16.9625 18.1474 18.1495 18.5976 18.6132 19.7663 19.7741 21.9451 21.9818 27.3688 27.3690 29.2438 29.2455 31.6719 31.7246 k =-0.2819 0.5273 0.5980 ( 2181 PWs) bands (ev): -24.7085 -24.7078 7.4042 7.4376 10.9666 10.9820 15.2437 15.2882 16.9179 16.9359 18.1323 18.1339 18.5993 18.6141 19.7606 19.7674 21.9726 22.0074 27.3019 27.3024 29.3509 29.3519 31.5489 31.6022 k =-0.2781 0.5202 0.5899 ( 2181 PWs) bands (ev): -24.7075 -24.7069 7.4426 7.4746 10.9219 10.9360 15.2920 15.3367 16.8923 16.9094 18.1190 18.1201 18.6009 18.6149 19.7541 19.7599 22.0013 22.0342 27.2392 27.2400 29.4545 29.4549 31.4261 31.4798 k =-0.2743 0.5131 0.5818 ( 2181 PWs) bands (ev): -24.7068 -24.7062 7.4734 7.5038 10.8867 10.8992 15.3387 15.3835 16.8673 16.8834 18.1077 18.1083 18.6023 18.6156 19.7468 19.7517 22.0311 22.0619 27.1807 27.1818 29.5537 29.5541 31.3038 31.3577 k =-0.2705 0.5060 0.5737 ( 2181 PWs) bands (ev): -24.7061 -24.7055 7.4961 7.5247 10.8615 10.8722 15.3833 15.4281 16.8433 16.8582 18.0982 18.0983 18.6036 18.6163 19.7388 19.7427 22.0619 22.0907 27.1264 27.1278 29.6476 29.6489 31.1820 31.2360 k =-0.2667 0.4988 0.5656 ( 2185 PWs) bands (ev): -24.7056 -24.7051 7.5101 7.5367 10.8468 10.8556 15.4252 15.4698 16.8206 16.8342 18.0903 18.0907 18.6049 18.6170 19.7299 19.7328 22.0937 22.1204 27.0761 27.0777 29.7358 29.7379 31.0609 31.1149 k =-0.2629 0.4917 0.5576 ( 2193 PWs) bands (ev): -24.7052 -24.7047 7.5151 7.5396 10.8432 10.8499 15.4639 15.5080 16.7997 16.8118 18.0842 18.0851 18.6062 18.6178 19.7202 19.7222 22.1264 22.1510 27.0297 27.0316 29.8174 29.8205 30.9406 30.9946 k =-0.2591 0.4846 0.5495 ( 2193 PWs) bands (ev): -24.7050 -24.7045 7.5110 7.5333 10.8507 10.8552 15.4986 15.5421 16.7813 16.7916 18.0800 18.0814 18.6076 18.6187 19.7097 19.7107 22.1600 22.1825 26.9871 26.9893 29.8916 29.8956 30.8213 30.8751 k =-0.2552 0.4775 0.5414 ( 2193 PWs) bands (ev): -24.7050 -24.7045 7.4979 7.5178 10.8693 10.8716 15.5287 15.5712 16.7658 16.7741 18.0778 18.0797 18.6092 18.6198 19.6984 19.6984 22.1946 22.2149 26.9483 26.9506 29.9574 29.9624 30.7031 30.7566 k =-0.2514 0.4703 0.5333 ( 2197 PWs) bands (ev): -24.7050 -24.7046 7.4759 7.4935 10.8988 10.8988 15.5534 15.5948 16.7540 16.7600 18.0775 18.0799 18.6110 18.6212 19.6853 19.6863 22.2301 22.2483 26.9130 26.9154 30.0143 30.0203 30.5860 30.6392 k =-0.2476 0.4632 0.5252 ( 2197 PWs) bands (ev): -24.7053 -24.7049 7.4456 7.4608 10.9364 10.9386 15.5721 15.6119 16.7463 16.7499 18.0792 18.0821 18.6131 18.6229 19.6714 19.6734 22.2666 22.2826 26.8810 26.8836 30.0616 30.0685 30.4703 30.5231 k =-0.2438 0.4561 0.5172 ( 2189 PWs) bands (ev): -24.7056 -24.7053 7.4074 7.4203 10.9839 10.9883 15.5841 15.6221 16.7435 16.7443 18.0827 18.0862 18.6156 18.6250 19.6568 19.6598 22.3040 22.3178 26.8523 26.8549 30.0991 30.1068 30.3559 30.4085 k =-0.2400 0.4490 0.5091 ( 2185 PWs) bands (ev): -24.7062 -24.7058 7.3620 7.3727 11.0408 11.0471 15.5890 15.6250 16.7436 16.7457 18.0882 18.0923 18.6185 18.6276 19.6414 19.6454 22.3424 22.3541 26.8265 26.8292 30.1266 30.1347 30.2430 30.2956 k =-0.2362 0.4418 0.5010 ( 2185 PWs) bands (ev): -24.7068 -24.7065 7.3101 7.3188 11.1062 11.1144 15.5865 15.6203 16.7480 16.7532 18.0956 18.1002 18.6219 18.6307 19.6252 19.6303 22.3819 22.3914 26.8036 26.8062 30.1316 30.1445 30.1487 30.1884 k =-0.2324 0.4347 0.4929 ( 2173 PWs) bands (ev): -24.7076 -24.7074 7.2525 7.2593 11.1794 11.1894 15.5764 15.6080 16.7576 16.7658 18.1048 18.1101 18.6259 18.6343 19.6083 19.6145 22.4224 22.4298 26.7833 26.7859 30.0221 30.0700 30.1530 30.1663 k =-0.2286 0.4276 0.4848 ( 2173 PWs) bands (ev): -24.7086 -24.7084 7.1898 7.1948 11.2598 11.2713 15.5591 15.5885 16.7721 16.7833 18.1159 18.1218 18.6304 18.6386 19.5907 19.5980 22.4641 22.4693 26.7655 26.7679 29.9142 29.9626 30.1529 30.1658 k =-0.2248 0.4204 0.4768 ( 2173 PWs) bands (ev): -24.7097 -24.7095 7.1228 7.1262 11.3466 11.3595 15.5349 15.5622 16.7911 16.8051 18.1288 18.1354 18.6355 18.6435 19.5725 19.5810 22.5070 22.5101 26.7498 26.7520 29.8083 29.8563 30.1449 30.1581 k =-0.2210 0.4133 0.4687 ( 2173 PWs) bands (ev): -24.7110 -24.7108 7.0521 7.0540 11.4391 11.4534 15.5044 15.5297 16.8141 16.8307 18.1434 18.1508 18.6413 18.6492 19.5537 19.5633 22.5511 22.5521 26.7362 26.7381 29.7045 29.7519 30.1300 30.1437 k =-0.2172 0.4062 0.4606 ( 2173 PWs) bands (ev): -24.7124 -24.7122 6.9783 6.9788 11.5368 11.5522 15.4680 15.4916 16.8405 16.8594 18.1598 18.1680 18.6478 18.6556 19.5343 19.5452 22.5955 22.5966 26.7243 26.7259 29.6028 29.6496 30.1090 30.1231 k =-0.2133 0.3991 0.4525 ( 2177 PWs) bands (ev): -24.7139 -24.7138 6.9011 6.9019 11.6390 11.6554 15.4266 15.4487 16.8696 16.8906 18.1779 18.1869 18.6551 18.6628 19.5144 19.5266 22.6403 22.6433 26.7140 26.7152 29.5034 29.5496 30.0827 30.0972 k =-0.2095 0.3919 0.4444 ( 2177 PWs) bands (ev): -24.7155 -24.7155 6.8215 6.8234 11.7453 11.7625 15.3807 15.4014 16.9009 16.9237 18.1976 18.2075 18.6632 18.6709 19.4941 19.5076 22.6865 22.6915 26.7050 26.7057 29.4065 29.4522 30.0521 30.0669 k =-0.2057 0.3848 0.4364 ( 2177 PWs) bands (ev): -24.7173 -24.7173 6.7403 6.7432 11.8551 11.8731 15.3309 15.3504 16.9336 16.9581 18.2188 18.2297 18.6722 18.6800 19.4734 19.4883 22.7343 22.7412 26.6971 26.6972 29.3124 29.3574 30.0178 30.0329 k =-0.2019 0.3777 0.4283 ( 2177 PWs) bands (ev): -24.7193 -24.7192 6.6579 6.6618 11.9679 11.9866 15.2778 15.2963 16.9673 16.9932 18.2415 18.2535 18.6822 18.6902 19.4524 19.4688 22.7836 22.7923 26.6894 26.6899 29.2211 29.2656 29.9806 29.9959 k =-0.1981 0.3706 0.4202 ( 2177 PWs) bands (ev): -24.7213 -24.7213 6.5747 6.5794 12.0834 12.1026 15.2219 15.2395 17.0015 17.0286 18.2656 18.2787 18.6933 18.7015 19.4312 19.4492 22.8345 22.8450 26.6821 26.6834 29.1331 29.1770 29.9409 29.9564 k =-0.1943 0.3634 0.4121 ( 2177 PWs) bands (ev): -24.7235 -24.7235 6.4909 6.4964 12.2012 12.2208 15.1638 15.1806 17.0356 17.0639 18.2910 18.3054 18.7056 18.7141 19.4099 19.4295 22.8869 22.8991 26.6750 26.6771 29.0484 29.0920 29.8994 29.9151 k =-0.1905 0.3563 0.4040 ( 2173 PWs) bands (ev): -24.7258 -24.7257 6.4068 6.4130 12.3208 12.3407 15.1038 15.1198 17.0694 17.0986 18.3175 18.3333 18.7192 18.7281 19.3886 19.4100 22.9410 22.9548 26.6677 26.6708 28.9676 29.0107 29.8565 29.8723 k =-0.1867 0.3492 0.3959 ( 2173 PWs) bands (ev): -24.7282 -24.7281 6.3227 6.3295 12.4419 12.4620 15.0423 15.0577 17.1023 17.1325 18.3450 18.3623 18.7344 18.7437 19.3674 19.3908 22.9966 23.0119 26.6601 26.6641 28.8908 28.9336 29.8125 29.8284 k =-0.1829 0.3421 0.3879 ( 2173 PWs) bands (ev): -24.7307 -24.7306 6.2387 6.2460 12.5640 12.5843 14.9799 14.9947 17.1341 17.1651 18.3733 18.3924 18.7513 18.7611 19.3466 19.3721 23.0537 23.0705 26.6517 26.6568 28.8186 28.8610 29.7677 29.7838 k =-0.1791 0.3349 0.3798 ( 2171 PWs) bands (ev): -24.7333 -24.7332 6.1550 6.1628 12.6868 12.7071 14.9170 14.9311 17.1644 17.1962 18.4022 18.4232 18.7700 18.7805 19.3263 19.3540 23.1123 23.1305 26.6422 26.6484 28.7512 28.7934 29.7225 29.7387 k =-0.1752 0.3278 0.3717 ( 2173 PWs) bands (ev): -24.7360 -24.7359 6.0718 6.0800 12.8097 12.8300 14.8540 14.8675 17.1929 17.2255 18.4314 18.4545 18.7908 18.8020 19.3067 19.3369 23.1723 23.1918 26.6313 26.6387 28.6891 28.7312 29.6771 29.6933 k =-0.1714 0.3207 0.3636 ( 2173 PWs) bands (ev): -24.7388 -24.7386 5.9892 5.9978 12.9323 12.9524 14.7915 14.8044 17.2194 17.2527 18.4607 18.4861 18.8139 18.8258 19.2883 19.3211 23.2336 23.2543 26.6187 26.6274 28.6329 28.6747 29.6316 29.6479 k =-0.1676 0.3136 0.3555 ( 2173 PWs) bands (ev): -24.7417 -24.7415 5.9074 5.9163 13.0538 13.0736 14.7303 14.7423 17.2437 17.2776 18.4896 18.5176 18.8394 18.8521 19.2713 19.3068 23.2960 23.3178 26.6041 26.6139 28.5829 28.6246 29.5863 29.6026 k =-0.1638 0.3064 0.3475 ( 2173 PWs) bands (ev): -24.7446 -24.7444 5.8264 5.8357 13.1735 13.1928 14.6710 14.6821 17.2656 17.3002 18.5178 18.5484 18.8675 18.8811 19.2561 19.2946 23.3594 23.3823 26.5871 26.5982 28.5396 28.5811 29.5412 29.5575 k =-0.1600 0.2993 0.3394 ( 2173 PWs) bands (ev): -24.7476 -24.7474 5.7465 5.7559 13.2901 13.3087 14.6150 14.6250 17.2851 17.3202 18.5447 18.5781 18.8984 18.9129 19.2434 19.2850 23.4237 23.4476 26.5675 26.5798 28.5035 28.5447 29.4964 29.5128 k =-0.1562 0.2922 0.3313 ( 2173 PWs) bands (ev): -24.7507 -24.7505 5.6676 5.6772 13.4020 13.4194 14.5640 14.5725 17.3019 17.3376 18.5698 18.6061 18.9322 18.9476 19.2338 19.2784 23.4887 23.5135 26.5453 26.5587 28.4748 28.5158 29.4522 29.4685 k =-0.1524 0.2850 0.3232 ( 2173 PWs) bands (ev): -24.7538 -24.7536 5.5898 5.5997 13.5067 13.5225 14.5205 14.5270 17.3163 17.3524 18.5925 18.6314 18.9689 18.9852 19.2281 19.2755 23.5542 23.5798 26.5202 26.5347 28.4539 28.4945 29.4084 29.4247 k =-0.1486 0.2779 0.3151 ( 2173 PWs) bands (ev): -24.7570 -24.7567 5.5133 5.5233 13.6006 13.6139 14.4883 14.4920 17.3281 17.3648 18.6121 18.6533 19.0085 19.0258 19.2270 19.2769 23.6200 23.6463 26.4923 26.5078 28.4409 28.4811 29.3652 29.3815 k =-0.1448 0.2708 0.3071 ( 2173 PWs) bands (ev): -24.7602 -24.7599 5.4381 5.4482 13.6785 13.6883 14.4726 14.4727 17.3376 17.3748 18.6282 18.6710 19.0510 19.0692 19.2313 19.2831 23.6859 23.7129 26.4618 26.4781 28.4360 28.4757 29.3227 29.3390 k =-0.1410 0.2637 0.2990 ( 2173 PWs) bands (ev): -24.7635 -24.7632 5.3643 5.3744 13.7346 13.7400 14.4746 14.4794 17.3450 17.3826 18.6402 18.6840 19.0963 19.1155 19.2417 19.2945 23.7517 23.7793 26.4288 26.4458 28.4391 28.4782 29.2808 29.2971 k =-0.1371 0.2565 0.2909 ( 2173 PWs) bands (ev): -24.7668 -24.7664 5.2919 5.3021 13.7646 13.7655 14.5020 14.5117 17.3504 17.3885 18.6481 18.6918 19.1442 19.1645 19.2582 19.3113 23.8171 23.8453 26.3936 26.4113 28.4502 28.4885 29.2397 29.2559 k =-0.1333 0.2494 0.2828 ( 2175 PWs) bands (ev): -24.7700 -24.7697 5.2210 5.2312 13.7659 13.7689 14.5541 14.5681 17.3543 17.3927 18.6519 18.6947 19.1947 19.2160 19.2810 19.3334 23.8820 23.9106 26.3567 26.3749 28.4690 28.5065 29.1992 29.2154 k =-0.1295 0.2423 0.2747 ( 2179 PWs) bands (ev): -24.7734 -24.7730 5.1516 5.1618 13.7468 13.7525 14.6260 14.6431 17.3568 17.3957 18.6517 18.6929 19.2474 19.2699 19.3094 19.3607 23.9461 23.9752 26.3184 26.3370 28.4952 28.5319 29.1595 29.1757 k =-0.1257 0.2352 0.2667 ( 2181 PWs) bands (ev): -24.7767 -24.7763 5.0838 5.0940 13.7141 13.7216 14.7113 14.7304 17.3584 17.3977 18.6479 18.6871 19.3020 19.3255 19.3431 19.3926 24.0092 24.0387 26.2793 26.2982 28.5286 28.5643 29.1206 29.1367 k =-0.1219 0.2280 0.2586 ( 2175 PWs) bands (ev): -24.7800 -24.7796 5.0177 5.0278 13.6728 13.6812 14.8044 14.8250 17.3595 17.3993 18.6411 18.6779 19.3582 19.3781 19.3861 19.4290 24.0712 24.1010 26.2398 26.2590 28.5688 28.6034 29.0824 29.0985 k =-0.1181 0.2209 0.2505 ( 2175 PWs) bands (ev): -24.7833 -24.7829 4.9532 4.9633 13.6260 13.6350 14.9016 14.9232 17.3606 17.4008 18.6318 18.6662 19.4153 19.4206 19.4443 19.4693 24.1319 24.1619 26.2006 26.2200 28.6152 28.6487 29.0450 29.0610 k =-0.1143 0.2138 0.2424 ( 2177 PWs) bands (ev): -24.7866 -24.7862 4.8905 4.9004 13.5761 13.5853 15.0002 15.0226 17.3622 17.4028 18.6204 18.6523 19.4648 19.4724 19.5049 19.5139 24.1911 24.2213 26.1622 26.1816 28.6674 28.6996 29.0084 29.0244 k =-0.1105 0.2067 0.2343 ( 2177 PWs) bands (ev): -24.7898 -24.7895 4.8295 4.8393 13.5243 13.5336 15.0984 15.1214 17.3646 17.4057 18.6073 18.6369 19.5111 19.5281 19.5632 19.5666 24.2487 24.2790 26.1251 26.1446 28.7248 28.7557 28.9726 28.9887 k =-0.1067 0.1995 0.2263 ( 2181 PWs) bands (ev): -24.7930 -24.7927 4.7703 4.7799 13.4717 13.4810 15.1948 15.2182 17.3686 17.4101 18.5930 18.6204 19.5592 19.5814 19.6174 19.6289 24.3046 24.3349 26.0899 26.1093 28.7869 28.8160 28.9376 28.9541 k =-0.1029 0.1924 0.2182 ( 2177 PWs) bands (ev): -24.7962 -24.7959 4.7129 4.7224 13.4190 13.4281 15.2882 15.3121 17.3746 17.4164 18.5778 18.6031 19.6086 19.6327 19.6754 19.6914 24.3587 24.3889 26.0573 26.0764 28.8529 28.8774 28.9034 28.9231 k =-0.0991 0.1853 0.2101 ( 2175 PWs) bands (ev): -24.7994 -24.7990 4.6574 4.6667 13.3666 13.3755 15.3779 15.4021 17.3831 17.4253 18.5619 18.5853 19.6590 19.6834 19.7350 19.7539 24.4109 24.4409 26.0276 26.0465 28.8698 28.8817 28.9224 28.9532 k =-0.0952 0.1782 0.2020 ( 2175 PWs) bands (ev): -24.8024 -24.8021 4.6037 4.6128 13.3148 13.3235 15.4630 15.4874 17.3947 17.4371 18.5456 18.5672 19.7100 19.7339 19.7951 19.8157 24.4611 24.4908 26.0016 26.0200 28.8372 28.8506 28.9940 29.0218 k =-0.0914 0.1710 0.1939 ( 2175 PWs) bands (ev): -24.8055 -24.8051 4.5520 4.5608 13.2640 13.2725 15.5429 15.5674 17.4098 17.4525 18.5290 18.5490 19.7613 19.7844 19.8548 19.8767 24.5094 24.5387 25.9797 25.9975 28.8054 28.8190 29.0670 29.0930 k =-0.0876 0.1639 0.1859 ( 2175 PWs) bands (ev): -24.8084 -24.8081 4.5022 4.5108 13.2144 13.2226 15.6171 15.6415 17.4290 17.4716 18.5124 18.5309 19.8128 19.8349 19.9134 19.9362 24.5557 24.5843 25.9625 25.9795 28.7744 28.7879 29.1402 29.1645 k =-0.0838 0.1568 0.1778 ( 2157 PWs) bands (ev): -24.8113 -24.8109 4.4543 4.4627 13.1661 13.1740 15.6851 15.7093 17.4525 17.4950 18.4959 18.5130 19.8641 19.8851 19.9705 19.9940 24.6000 24.6278 25.9505 25.9666 28.7443 28.7576 29.2123 29.2348 k =-0.0800 0.1497 0.1697 ( 2149 PWs) bands (ev): -24.8141 -24.8137 4.4085 4.4165 13.1192 13.1268 15.7466 15.7705 17.4805 17.5226 18.4796 18.4954 19.9151 19.9350 20.0257 20.0497 24.6422 24.6690 25.9443 25.9592 28.7150 28.7280 29.2816 29.3023 k =-0.0762 0.1425 0.1616 ( 2145 PWs) bands (ev): -24.8168 -24.8165 4.3646 4.3724 13.0740 13.0813 15.8016 15.8249 17.5131 17.5546 18.4635 18.4782 19.9655 19.9843 20.0785 20.1028 24.6823 24.7080 25.9442 25.9579 28.6866 28.6993 29.3463 29.3649 k =-0.0724 0.1354 0.1535 ( 2145 PWs) bands (ev): -24.8194 -24.8191 4.3227 4.3302 13.0305 13.0374 15.8501 15.8727 17.5501 17.5908 18.4479 18.4614 20.0151 20.0329 20.1285 20.1530 24.7204 24.7447 25.9509 25.9630 28.6591 28.6715 29.4040 29.4204 k =-0.0686 0.1283 0.1455 ( 2145 PWs) bands (ev): -24.8220 -24.8216 4.2829 4.2901 12.9888 12.9954 15.8922 15.9139 17.5913 17.6309 18.4327 18.4452 20.0636 20.0804 20.1755 20.2000 24.7562 24.7790 25.9646 25.9750 28.6325 28.6446 29.4522 29.4662 k =-0.0648 0.1211 0.1374 ( 2169 PWs) bands (ev): -24.8244 -24.8241 4.2452 4.2520 12.9490 12.9552 15.9283 15.9489 17.6361 17.6745 18.4181 18.4296 20.1110 20.1267 20.2191 20.2436 24.7899 24.8110 25.9857 25.9942 28.6069 28.6186 29.4882 29.4994 k =-0.0610 0.1140 0.1293 ( 2169 PWs) bands (ev): -24.8267 -24.8264 4.2095 4.2160 12.9111 12.9170 15.9588 15.9783 17.6840 17.7210 18.4041 18.4147 20.1570 20.1717 20.2592 20.2834 24.8213 24.8406 26.0146 26.0211 28.5823 28.5935 29.5091 29.5174 k =-0.0571 0.1069 0.1212 ( 2177 PWs) bands (ev): -24.8289 -24.8287 4.1760 4.1821 12.8753 12.8808 15.9843 16.0024 17.7342 17.7696 18.3908 18.4004 20.2014 20.2151 20.2956 20.3194 24.8505 24.8678 26.0513 26.0557 28.5588 28.5695 29.5125 29.5178 k =-0.0533 0.0998 0.1131 ( 2169 PWs) bands (ev): -24.8310 -24.8308 4.1445 4.1503 12.8415 12.8467 16.0052 16.0220 17.7861 17.8197 18.3782 18.3870 20.2440 20.2567 20.3283 20.3514 24.8773 24.8928 26.0959 26.0982 28.5364 28.5466 29.4967 29.4989 k =-0.0495 0.0926 0.1050 ( 2173 PWs) bands (ev): -24.8330 -24.8327 4.1152 4.1206 12.8099 12.8147 16.0222 16.0377 17.8388 17.8706 18.3663 18.3743 20.2847 20.2964 20.3571 20.3795 24.9018 24.9155 26.1484 26.1486 28.5151 28.5248 29.4605 29.4612 k =-0.0457 0.0855 0.0970 ( 2173 PWs) bands (ev): -24.8348 -24.8346 4.0880 4.0930 12.7805 12.7849 16.0358 16.0499 17.8915 17.9213 18.3553 18.3625 20.3232 20.3339 20.3822 20.4036 24.9241 24.9359 26.2067 26.2084 28.4951 28.5041 29.4033 29.4067 k =-0.0419 0.0784 0.0889 ( 2177 PWs) bands (ev): -24.8365 -24.8363 4.0629 4.0676 12.7532 12.7573 16.0465 16.0593 17.9434 17.9712 18.3452 18.3516 20.3594 20.3690 20.4037 20.4240 24.9442 24.9543 26.2720 26.2755 28.4763 28.4847 29.3295 29.3351 k =-0.0381 0.0713 0.0808 ( 2173 PWs) bands (ev): -24.8381 -24.8379 4.0400 4.0443 12.7283 12.7320 16.0549 16.0663 17.9938 18.0194 18.3360 18.3417 20.3931 20.4014 20.4221 20.4407 24.9621 24.9707 26.3442 26.3493 28.4588 28.4665 29.2417 29.2491 k =-0.0343 0.0641 0.0727 ( 2175 PWs) bands (ev): -24.8395 -24.8393 4.0193 4.0231 12.7056 12.7090 16.0613 16.0715 18.0419 18.0652 18.3278 18.3328 20.4242 20.4295 20.4388 20.4542 24.9779 24.9851 26.4224 26.4289 28.4426 28.4497 29.1430 29.1519 k =-0.0305 0.0570 0.0646 ( 2175 PWs) bands (ev): -24.8408 -24.8406 4.0008 4.0042 12.6853 12.6883 16.0661 16.0750 18.0870 18.1078 18.3207 18.3249 20.4465 20.4524 20.4612 20.4647 24.9918 24.9978 26.5056 26.5132 28.4279 28.4342 29.0368 29.0467 k =-0.0267 0.0499 0.0566 ( 2163 PWs) bands (ev): -24.8419 -24.8418 3.9844 3.9874 12.6673 12.6699 16.0697 16.0774 18.1283 18.1466 18.3149 18.3182 20.4567 20.4721 20.4782 20.4850 25.0038 25.0087 26.5925 26.6009 28.4145 28.4200 28.9264 28.9368 k =-0.0229 0.0428 0.0485 ( 2163 PWs) bands (ev): -24.8429 -24.8428 3.9703 3.9729 12.6517 12.6540 16.0723 16.0789 18.1651 18.1806 18.3105 18.3130 20.4643 20.4778 20.5003 20.5061 25.0141 25.0180 26.6812 26.6902 28.4023 28.4070 28.8152 28.8258 k =-0.0190 0.0356 0.0404 ( 2163 PWs) bands (ev): -24.8437 -24.8436 3.9583 3.9605 12.6385 12.6404 16.0743 16.0797 18.1966 18.2090 18.3080 18.3093 20.4700 20.4815 20.5194 20.5243 25.0226 25.0257 26.7695 26.7785 28.3913 28.3950 28.7075 28.7176 k =-0.0152 0.0285 0.0323 ( 2163 PWs) bands (ev): -24.8444 -24.8444 3.9486 3.9503 12.6277 12.6292 16.0757 16.0800 18.2219 18.2310 18.3076 18.3077 20.4743 20.4837 20.5353 20.5392 25.0296 25.0319 26.8540 26.8625 28.3807 28.3833 28.6081 28.6172 k =-0.0114 0.0214 0.0242 ( 2163 PWs) bands (ev): -24.8450 -24.8449 3.9410 3.9423 12.6193 12.6205 16.0768 16.0800 18.2403 18.2460 18.3086 18.3096 20.4775 20.4846 20.5479 20.5508 25.0349 25.0366 26.9302 26.9377 28.3693 28.3705 28.5239 28.5311 k =-0.0076 0.0143 0.0162 ( 2163 PWs) bands (ev): -24.8453 -24.8453 3.9357 3.9366 12.6134 12.6141 16.0776 16.0797 18.2516 18.2546 18.3115 18.3130 20.4800 20.4848 20.5571 20.5590 25.0388 25.0399 26.9926 26.9983 28.3542 28.3546 28.4636 28.4678 k =-0.0038 0.0071 0.0081 ( 2163 PWs) bands (ev): -24.8456 -24.8455 3.9326 3.9330 12.6099 12.6103 16.0783 16.0794 18.2574 18.2586 18.3148 18.3159 20.4818 20.4842 20.5628 20.5637 25.0412 25.0418 27.0346 27.0377 28.3361 28.3372 28.4324 28.4338 k = 0.0000 0.0000 0.0000 ( 2163 PWs) bands (ev): -24.8456 -24.8456 3.9317 3.9317 12.6089 12.6089 16.0789 16.0789 18.2594 18.2594 18.3167 18.3167 20.4833 20.4833 20.5650 20.5650 25.0422 25.0422 27.0505 27.0505 28.3282 28.3282 28.4239 28.4239 k = 0.0000 0.0000 0.0000 ( 2163 PWs) bands (ev): -24.8456 -24.8456 3.9317 3.9317 12.6089 12.6089 16.0789 16.0789 18.2594 18.2594 18.3167 18.3167 20.4833 20.4833 20.5650 20.5650 25.0422 25.0422 27.0505 27.0505 28.3282 28.3282 28.4239 28.4239 k = 0.0100 0.0053 0.0000 ( 2163 PWs) bands (ev): -24.8456 -24.8456 3.9321 3.9321 12.6086 12.6086 16.0784 16.0784 18.2602 18.2602 18.3175 18.3175 20.4768 20.4768 20.5650 20.5650 25.0509 25.0509 27.0520 27.0520 28.3211 28.3211 28.4168 28.4168 k = 0.0200 0.0107 0.0000 ( 2163 PWs) bands (ev): -24.8455 -24.8455 3.9333 3.9333 12.6079 12.6079 16.0771 16.0771 18.2626 18.2626 18.3199 18.3199 20.4575 20.4575 20.5652 20.5652 25.0769 25.0769 27.0565 27.0565 28.3000 28.3000 28.3956 28.3956 k = 0.0300 0.0160 0.0000 ( 2163 PWs) bands (ev): -24.8454 -24.8454 3.9354 3.9354 12.6067 12.6067 16.0750 16.0750 18.2667 18.2667 18.3240 18.3240 20.4259 20.4259 20.5654 20.5654 25.1195 25.1195 27.0640 27.0640 28.2654 28.2654 28.3610 28.3610 k = 0.0400 0.0214 0.0000 ( 2163 PWs) bands (ev): -24.8453 -24.8453 3.9382 3.9382 12.6050 12.6050 16.0720 16.0720 18.2723 18.2723 18.3297 18.3297 20.3828 20.3828 20.5657 20.5657 25.1782 25.1782 27.0744 27.0744 28.2183 28.2183 28.3137 28.3137 k = 0.0500 0.0267 0.0000 ( 2171 PWs) bands (ev): -24.8451 -24.8451 3.9419 3.9419 12.6029 12.6029 16.0682 16.0682 18.2795 18.2795 18.3370 18.3370 20.3292 20.3292 20.5661 20.5661 25.2519 25.2519 27.0878 27.0878 28.1598 28.1598 28.2551 28.2551 k = 0.0600 0.0321 0.0000 ( 2171 PWs) bands (ev): -24.8448 -24.8448 3.9463 3.9463 12.6001 12.6001 16.0636 16.0636 18.2883 18.2883 18.3458 18.3458 20.2661 20.2661 20.5665 20.5665 25.3395 25.3395 27.1041 27.1041 28.0911 28.0911 28.1863 28.1863 k = 0.0700 0.0374 0.0000 ( 2175 PWs) bands (ev): -24.8446 -24.8446 3.9516 3.9516 12.5969 12.5969 16.0582 16.0582 18.2987 18.2987 18.3563 18.3563 20.1949 20.1949 20.5671 20.5671 25.4398 25.4398 27.1231 27.1231 28.0135 28.0135 28.1085 28.1085 k = 0.0800 0.0428 0.0000 ( 2175 PWs) bands (ev): -24.8442 -24.8442 3.9576 3.9576 12.5931 12.5931 16.0520 16.0520 18.3106 18.3106 18.3683 18.3683 20.1165 20.1165 20.5677 20.5677 25.5516 25.5516 27.1449 27.1449 27.9282 27.9282 28.0232 28.0232 k = 0.0900 0.0481 0.0000 ( 2175 PWs) bands (ev): -24.8439 -24.8439 3.9644 3.9644 12.5886 12.5886 16.0452 16.0452 18.3241 18.3241 18.3819 18.3819 20.0324 20.0324 20.5684 20.5684 25.6738 25.6738 27.1694 27.1694 27.8365 27.8365 27.9313 27.9313 k = 0.1000 0.0535 0.0000 ( 2171 PWs) bands (ev): -24.8435 -24.8435 3.9719 3.9719 12.5836 12.5836 16.0376 16.0376 18.3390 18.3390 18.3970 18.3970 19.9435 19.9435 20.5692 20.5692 25.8053 25.8053 27.1965 27.1965 27.7393 27.7393 27.8340 27.8340 k = 0.1100 0.0588 0.0000 ( 2183 PWs) bands (ev): -24.8430 -24.8430 3.9801 3.9801 12.5779 12.5779 16.0293 16.0293 18.3554 18.3554 18.4135 18.4135 19.8508 19.8508 20.5701 20.5701 25.9450 25.9450 27.2261 27.2261 27.6377 27.6377 27.7322 27.7322 k = 0.1200 0.0642 0.0000 ( 2187 PWs) bands (ev): -24.8426 -24.8426 3.9890 3.9890 12.5715 12.5715 16.0205 16.0205 18.3732 18.3732 18.4315 18.4315 19.7554 19.7554 20.5710 20.5710 26.0920 26.0920 27.2581 27.2581 27.5324 27.5324 27.6268 27.6268 k = 0.1300 0.0695 0.0000 ( 2187 PWs) bands (ev): -24.8420 -24.8420 3.9986 3.9986 12.5644 12.5644 16.0110 16.0110 18.3925 18.3925 18.4510 18.4510 19.6581 19.6581 20.5720 20.5720 26.2454 26.2454 27.2923 27.2923 27.4243 27.4243 27.5186 27.5186 k = 0.1400 0.0748 0.0000 ( 2195 PWs) bands (ev): -24.8415 -24.8415 4.0089 4.0089 12.5566 12.5566 16.0010 16.0010 18.4130 18.4130 18.4718 18.4718 19.5596 19.5596 20.5730 20.5730 26.4046 26.4046 27.3139 27.3139 27.3283 27.3283 27.4085 27.4085 k = 0.1500 0.0802 0.0000 ( 2195 PWs) bands (ev): -24.8409 -24.8409 4.0198 4.0198 12.5480 12.5480 15.9906 15.9906 18.4349 18.4349 18.4940 18.4940 19.4606 19.4606 20.5741 20.5741 26.5688 26.5688 27.2020 27.2020 27.2945 27.2945 27.3686 27.3686 k = 0.1600 0.0855 0.0000 ( 2191 PWs) bands (ev): -24.8403 -24.8403 4.0313 4.0313 12.5386 12.5386 15.9796 15.9796 18.4580 18.4580 18.5174 18.5174 19.3618 19.3618 20.5753 20.5753 26.7372 26.7372 27.0891 27.0891 27.1817 27.1817 27.4085 27.4085 k = 0.1700 0.0909 0.0000 ( 2191 PWs) bands (ev): -24.8397 -24.8397 4.0433 4.0433 12.5284 12.5284 15.9683 15.9683 18.4823 18.4823 18.5421 18.5421 19.2636 19.2636 20.5765 20.5765 26.9054 26.9054 26.9796 26.9796 27.0676 27.0676 27.4506 27.4506 k = 0.1800 0.0962 0.0000 ( 2191 PWs) bands (ev): -24.8391 -24.8391 4.0559 4.0559 12.5174 12.5174 15.9567 15.9567 18.5076 18.5076 18.5680 18.5680 19.1667 19.1667 20.5778 20.5778 26.8579 26.8579 26.9531 26.9531 27.0889 27.0889 27.4945 27.4945 k = 0.1900 0.1016 0.0000 ( 2191 PWs) bands (ev): -24.8384 -24.8384 4.0690 4.0690 12.5055 12.5055 15.9447 15.9447 18.5338 18.5338 18.5950 18.5950 19.0715 19.0715 20.5790 20.5790 26.7444 26.7444 26.8386 26.8386 27.2673 27.2673 27.5398 27.5398 k = 0.2000 0.1069 0.0000 ( 2191 PWs) bands (ev): -24.8377 -24.8377 4.0825 4.0825 12.4928 12.4928 15.9325 15.9325 18.5606 18.5606 18.6231 18.6231 18.9785 18.9785 20.5804 20.5804 26.6306 26.6306 26.7244 26.7244 27.4490 27.4490 27.5864 27.5864 k = 0.2100 0.1123 0.0000 ( 2183 PWs) bands (ev): -24.8370 -24.8370 4.0964 4.0964 12.4792 12.4792 15.9201 15.9201 18.5876 18.5876 18.6522 18.6522 18.8885 18.8885 20.5817 20.5817 26.5173 26.5173 26.6108 26.6108 27.6331 27.6331 27.6342 27.6342 k = 0.2200 0.1176 0.0000 ( 2183 PWs) bands (ev): -24.8363 -24.8363 4.1107 4.1107 12.4648 12.4648 15.9076 15.9076 18.6131 18.6131 18.6822 18.6822 18.8035 18.8035 20.5831 20.5831 26.4048 26.4048 26.4980 26.4980 27.6830 27.6830 27.8193 27.8193 k = 0.2300 0.1230 0.0000 ( 2183 PWs) bands (ev): -24.8356 -24.8356 4.1252 4.1252 12.4497 12.4497 15.8950 15.8950 18.6287 18.6287 18.7130 18.7130 18.7317 18.7317 20.5845 20.5845 26.2933 26.2933 26.3864 26.3864 27.7326 27.7326 28.0072 28.0072 k = 0.2400 0.1283 0.0000 ( 2183 PWs) bands (ev): -24.8349 -24.8349 4.1401 4.1401 12.4337 12.4337 15.8823 15.8823 18.5984 18.5984 18.7095 18.7095 18.7446 18.7446 20.5859 20.5859 26.1833 26.1833 26.2762 26.2762 27.7827 27.7827 28.1967 28.1967 k = 0.2500 0.1336 0.0000 ( 2183 PWs) bands (ev): -24.8342 -24.8342 4.1551 4.1551 12.4170 12.4170 15.8697 15.8697 18.5297 18.5297 18.7293 18.7293 18.7768 18.7768 20.5873 20.5873 26.0748 26.0748 26.1676 26.1676 27.8333 27.8333 28.3873 28.3873 k = 0.2600 0.1390 0.0000 ( 2183 PWs) bands (ev): -24.8335 -24.8335 4.1703 4.1703 12.3997 12.3997 15.8571 15.8571 18.4558 18.4558 18.7582 18.7582 18.8096 18.8096 20.5887 20.5887 25.9681 25.9681 26.0607 26.0607 27.8841 27.8841 28.5789 28.5789 k = 0.2700 0.1443 0.0000 ( 2191 PWs) bands (ev): -24.8328 -24.8328 4.1856 4.1856 12.3817 12.3817 15.8446 15.8446 18.3831 18.3831 18.7895 18.7895 18.8428 18.8428 20.5901 20.5901 25.8635 25.8635 25.9559 25.9559 27.9349 27.9349 28.7713 28.7713 k = 0.2800 0.1497 0.0000 ( 2199 PWs) bands (ev): -24.8321 -24.8321 4.2010 4.2010 12.3632 12.3632 15.8323 15.8323 18.3130 18.3130 18.8219 18.8219 18.8764 18.8764 20.5915 20.5915 25.7610 25.7610 25.8533 25.8533 27.9856 27.9856 28.9643 28.9643 k = 0.2900 0.1550 0.0000 ( 2199 PWs) bands (ev): -24.8313 -24.8313 4.2163 4.2163 12.3443 12.3443 15.8201 15.8201 18.2460 18.2460 18.8548 18.8548 18.9102 18.9102 20.5929 20.5929 25.6610 25.6610 25.7531 25.7531 28.0359 28.0359 29.1576 29.1576 k = 0.3000 0.1604 0.0000 ( 2199 PWs) bands (ev): -24.8307 -24.8307 4.2315 4.2315 12.3250 12.3250 15.8083 15.8083 18.1822 18.1822 18.8881 18.8881 18.9440 18.9440 20.5943 20.5943 25.5636 25.5636 25.6556 25.6556 28.0856 28.0856 29.3511 29.3511 k = 0.3100 0.1657 0.0000 ( 2207 PWs) bands (ev): -24.8300 -24.8300 4.2465 4.2465 12.3054 12.3054 15.7967 15.7967 18.1218 18.1218 18.9214 18.9214 18.9778 18.9778 20.5956 20.5956 25.4691 25.4691 25.5609 25.5609 28.1345 28.1345 29.5445 29.5445 k = 0.3200 0.1711 0.0000 ( 2204 PWs) bands (ev): -24.8293 -24.8293 4.2613 4.2613 12.2858 12.2858 15.7854 15.7854 18.0649 18.0649 18.9546 18.9546 19.0113 19.0113 20.5969 20.5969 25.3776 25.3776 25.4692 25.4692 28.1825 28.1825 29.7377 29.7377 k = 0.3300 0.1764 0.0000 ( 2212 PWs) bands (ev): -24.8287 -24.8287 4.2759 4.2759 12.2661 12.2661 15.7746 15.7746 18.0114 18.0114 18.9875 18.9875 19.0445 19.0445 20.5982 20.5982 25.2893 25.2893 25.3808 25.3808 28.2292 28.2292 29.9304 29.9304 k = 0.3400 0.1818 0.0000 ( 2208 PWs) bands (ev): -24.8281 -24.8281 4.2900 4.2900 12.2465 12.2465 15.7641 15.7641 17.9613 17.9613 19.0199 19.0199 19.0772 19.0772 20.5994 20.5994 25.2045 25.2045 25.2959 25.2959 28.2746 28.2746 30.1224 30.1224 k = 0.3500 0.1871 0.0000 ( 2204 PWs) bands (ev): -24.8275 -24.8275 4.3038 4.3038 12.2272 12.2272 15.7541 15.7541 17.9146 17.9146 19.0517 19.0517 19.1092 19.1092 20.6006 20.6006 25.1234 25.1234 25.2146 25.2146 28.3184 28.3184 30.3133 30.3133 k = 0.3600 0.1925 0.0000 ( 2204 PWs) bands (ev): -24.8269 -24.8269 4.3170 4.3170 12.2083 12.2083 15.7445 15.7445 17.8713 17.8713 19.0826 19.0826 19.1403 19.1403 20.6018 20.6018 25.0462 25.0462 25.1372 25.1372 28.3604 28.3604 30.5030 30.5030 k = 0.3700 0.1978 0.0000 ( 2204 PWs) bands (ev): -24.8264 -24.8264 4.3297 4.3297 12.1899 12.1899 15.7355 15.7355 17.8314 17.8314 19.1125 19.1125 19.1703 19.1703 20.6028 20.6028 24.9730 24.9730 25.0640 25.0640 28.4005 28.4005 30.6910 30.6910 k = 0.3800 0.2031 0.0000 ( 2204 PWs) bands (ev): -24.8258 -24.8258 4.3417 4.3417 12.1722 12.1722 15.7271 15.7271 17.7947 17.7947 19.1412 19.1412 19.1992 19.1992 20.6039 20.6039 24.9041 24.9041 24.9950 24.9950 28.4384 28.4384 30.8768 30.8768 k = 0.3900 0.2085 0.0000 ( 2196 PWs) bands (ev): -24.8254 -24.8254 4.3531 4.3531 12.1553 12.1553 15.7192 15.7192 17.7613 17.7613 19.1684 19.1684 19.2266 19.2266 20.6048 20.6048 24.8398 24.8398 24.9305 24.9305 28.4740 28.4740 31.0600 31.0600 k = 0.4000 0.2138 0.0000 ( 2196 PWs) bands (ev): -24.8249 -24.8249 4.3637 4.3637 12.1393 12.1393 15.7118 15.7118 17.7310 17.7310 19.1941 19.1941 19.2524 19.2524 20.6057 20.6057 24.7802 24.7802 24.8708 24.8708 28.5071 28.5071 31.2398 31.2398 k = 0.4100 0.2192 0.0000 ( 2196 PWs) bands (ev): -24.8245 -24.8245 4.3734 4.3734 12.1244 12.1244 15.7052 15.7052 17.7039 17.7039 19.2181 19.2181 19.2765 19.2765 20.6065 20.6065 24.7255 24.7255 24.8161 24.8161 28.5376 28.5376 31.4155 31.4155 k = 0.4200 0.2245 0.0000 ( 2196 PWs) bands (ev): -24.8241 -24.8241 4.3824 4.3824 12.1108 12.1108 15.6991 15.6991 17.6798 17.6798 19.2401 19.2401 19.2985 19.2985 20.6073 20.6073 24.6760 24.6760 24.7664 24.7664 28.5653 28.5653 31.5858 31.5858 k = 0.4300 0.2299 0.0000 ( 2208 PWs) bands (ev): -24.8238 -24.8238 4.3904 4.3904 12.0984 12.0984 15.6938 15.6938 17.6587 17.6587 19.2599 19.2599 19.3185 19.3185 20.6079 20.6079 24.6318 24.6318 24.7222 24.7222 28.5900 28.5900 31.7493 31.7493 k = 0.4400 0.2352 0.0000 ( 2208 PWs) bands (ev): -24.8236 -24.8236 4.3974 4.3974 12.0875 12.0875 15.6891 15.6891 17.6405 17.6405 19.2775 19.2775 19.3361 19.3361 20.6085 20.6085 24.5931 24.5931 24.6834 24.6834 28.6117 28.6117 31.9039 31.9039 k = 0.4500 0.2406 0.0000 ( 2220 PWs) bands (ev): -24.8233 -24.8233 4.4034 4.4034 12.0780 12.0780 15.6851 15.6851 17.6252 17.6252 19.2927 19.2927 19.3513 19.3513 20.6090 20.6090 24.5600 24.5600 24.6503 24.6503 28.6303 28.6303 32.0471 32.0471 k = 0.4600 0.2459 0.0000 ( 2220 PWs) bands (ev): -24.8231 -24.8231 4.4084 4.4084 12.0702 12.0702 15.6818 15.6818 17.6127 17.6127 19.3053 19.3053 19.3640 19.3640 20.6094 20.6094 24.5328 24.5328 24.6230 24.6230 28.6456 28.6456 32.1753 32.1753 k = 0.4700 0.2513 0.0000 ( 2220 PWs) bands (ev): -24.8230 -24.8230 4.4123 4.4123 12.0640 12.0640 15.6792 15.6792 17.6031 17.6031 19.3152 19.3152 19.3739 19.3739 20.6098 20.6098 24.5114 24.5114 24.6016 24.6016 28.6576 28.6576 32.2839 32.2839 k = 0.4800 0.2566 0.0000 ( 2232 PWs) bands (ev): -24.8229 -24.8229 4.4151 4.4151 12.0596 12.0596 15.6774 15.6774 17.5962 17.5962 19.3224 19.3224 19.3811 19.3811 20.6100 20.6100 24.4961 24.4961 24.5863 24.5863 28.6662 28.6662 32.3677 32.3677 k = 0.4900 0.2620 0.0000 ( 2232 PWs) bands (ev): -24.8228 -24.8228 4.4168 4.4168 12.0569 12.0569 15.6763 15.6763 17.5921 17.5921 19.3267 19.3267 19.3854 19.3854 20.6101 20.6101 24.4869 24.4869 24.5770 24.5770 28.6714 28.6714 32.4210 32.4210 k = 0.5000 0.2673 0.0000 ( 2244 PWs) bands (ev): -24.8228 -24.8228 4.4173 4.4173 12.0560 12.0560 15.6759 15.6759 17.5907 17.5907 19.3281 19.3281 19.3869 19.3869 20.6102 20.6102 24.4838 24.4838 24.5740 24.5740 28.6731 28.6731 32.4393 32.4393 k = 0.5000 0.2673 0.0000 ( 2244 PWs) bands (ev): -24.8228 -24.8228 4.4173 4.4173 12.0560 12.0560 15.6759 15.6759 17.5907 17.5907 19.3281 19.3281 19.3869 19.3869 20.6102 20.6102 24.4838 24.4838 24.5740 24.5740 28.6731 28.6731 32.4393 32.4393 k = 0.4962 0.2743 0.0080 ( 2228 PWs) bands (ev): -24.8227 -24.8227 4.4180 4.4190 12.0565 12.0573 15.6752 15.6757 17.5901 17.5906 19.3269 19.3280 19.3862 19.3864 20.6070 20.6093 24.4800 24.4810 24.5702 24.5720 28.6829 28.6832 32.4406 32.4430 k = 0.4925 0.2814 0.0159 ( 2228 PWs) bands (ev): -24.8225 -24.8225 4.4211 4.4231 12.0588 12.0604 15.6735 15.6747 17.5887 17.5897 19.3242 19.3267 19.3842 19.3849 20.5999 20.6044 24.4655 24.4681 24.5652 24.5683 28.7123 28.7128 32.4471 32.4519 k = 0.4887 0.2884 0.0239 ( 2224 PWs) bands (ev): -24.8222 -24.8221 4.4265 4.4296 12.0629 12.0652 15.6710 15.6727 17.5865 17.5881 19.3196 19.3239 19.3812 19.3829 20.5888 20.5956 24.4329 24.4378 24.5671 24.5707 28.7601 28.7608 32.4587 32.4659 k = 0.4850 0.2954 0.0319 ( 2210 PWs) bands (ev): -24.8218 -24.8216 4.4344 4.4385 12.0688 12.0718 15.6674 15.6697 17.5836 17.5857 19.3126 19.3195 19.3774 19.3808 20.5739 20.5830 24.3811 24.3884 24.5785 24.5825 28.8248 28.8258 32.4755 32.4851 k = 0.4812 0.3025 0.0399 ( 2208 PWs) bands (ev): -24.8212 -24.8210 4.4446 4.4497 12.0764 12.0802 15.6628 15.6656 17.5800 17.5825 19.3030 19.3130 19.3733 19.3789 20.5553 20.5667 24.3132 24.3228 24.5978 24.6022 28.9044 28.9057 32.4976 32.5097 k = 0.4774 0.3095 0.0478 ( 2208 PWs) bands (ev): -24.8205 -24.8202 4.4571 4.4633 12.0857 12.0902 15.6570 15.6605 17.5755 17.5786 19.2906 19.3040 19.3694 19.3776 20.5333 20.5469 24.2327 24.2445 24.6234 24.6282 28.9966 28.9982 32.5251 32.5398 k = 0.4737 0.3165 0.0558 ( 2206 PWs) bands (ev): -24.8196 -24.8193 4.4721 4.4793 12.0967 12.1020 15.6500 15.6541 17.5704 17.5739 19.2755 19.2922 19.3659 19.3767 20.5079 20.5239 24.1421 24.1562 24.6545 24.6598 29.0990 29.1009 32.5583 32.5755 k = 0.4699 0.3236 0.0638 ( 2206 PWs) bands (ev): -24.8186 -24.8183 4.4894 4.4976 12.1093 12.1154 15.6416 15.6464 17.5645 17.5685 19.2577 19.2778 19.3630 19.3764 20.4794 20.4978 24.0437 24.0599 24.6905 24.6963 29.2091 29.2115 32.5973 32.6172 k = 0.4662 0.3306 0.0718 ( 2204 PWs) bands (ev): -24.8175 -24.8172 4.5090 4.5182 12.1236 12.1304 15.6317 15.6373 17.5579 17.5623 19.2376 19.2609 19.3605 19.3763 20.4482 20.4689 23.9393 23.9577 24.7311 24.7373 29.3248 29.3277 32.6423 32.6649 k = 0.4624 0.3376 0.0797 ( 2204 PWs) bands (ev): -24.8163 -24.8159 4.5310 4.5412 12.1394 12.1469 15.6202 15.6265 17.5507 17.5554 19.2153 19.2417 19.3582 19.3765 20.4144 20.4375 23.8307 23.8513 24.7760 24.7826 29.4436 29.4471 32.6936 32.7188 k = 0.4586 0.3447 0.0877 ( 2200 PWs) bands (ev): -24.8150 -24.8146 4.5553 4.5665 12.1567 12.1649 15.6068 15.6139 17.5428 17.5478 19.1913 19.2205 19.3560 19.3766 20.3785 20.4040 23.7192 23.7420 24.8249 24.8319 29.5635 29.5675 32.7512 32.7792 k = 0.4549 0.3517 0.0957 ( 2204 PWs) bands (ev): -24.8135 -24.8131 4.5819 4.5941 12.1754 12.1844 15.5915 15.5993 17.5343 17.5395 19.1656 19.1976 19.3536 19.3767 20.3406 20.3686 23.6062 23.6312 24.8776 24.8850 29.6822 29.6869 32.8154 32.8461 k = 0.4511 0.3587 0.1037 ( 2204 PWs) bands (ev): -24.8120 -24.8115 4.6108 4.6239 12.1954 12.2052 15.5740 15.5827 17.5253 17.5307 19.1386 19.1734 19.3509 19.3764 20.3011 20.3317 23.4927 23.5199 24.9339 24.9416 29.7979 29.8033 32.8862 32.9196 k = 0.4474 0.3657 0.1116 ( 2200 PWs) bands (ev): -24.8103 -24.8098 4.6419 4.6561 12.2168 12.2272 15.5541 15.5636 17.5158 17.5213 19.1105 19.1479 19.3477 19.3758 20.2604 20.2937 23.3796 23.4090 24.9937 25.0016 29.9087 29.9147 32.9633 32.9994 k = 0.4436 0.3728 0.1196 ( 2200 PWs) bands (ev): -24.8085 -24.8079 4.6753 4.6904 12.2392 12.2504 15.5316 15.5421 17.5059 17.5115 19.0815 19.1215 19.3439 19.3745 20.2188 20.2548 23.2679 23.2994 25.0566 25.0648 30.0128 30.0195 33.0463 33.0849 k = 0.4399 0.3798 0.1276 ( 2204 PWs) bands (ev): -24.8066 -24.8060 4.7109 4.7270 12.2627 12.2746 15.5064 15.5179 17.4958 17.5013 19.0519 19.0944 19.3391 19.3725 20.1767 20.2156 23.1580 23.1917 25.1225 25.1309 30.1087 30.1159 33.1342 33.1751 k = 0.4361 0.3868 0.1356 ( 2200 PWs) bands (ev): -24.8046 -24.8040 4.7487 4.7658 12.2872 12.2997 15.4783 15.4908 17.4855 17.4908 19.0219 19.0669 19.3331 19.3694 20.1346 20.1763 23.0507 23.0866 25.1913 25.1999 30.1948 30.2025 33.2254 33.2682 k = 0.4323 0.3939 0.1435 ( 2200 PWs) bands (ev): -24.8025 -24.8019 4.7887 4.8067 12.3123 12.3256 15.4472 15.4607 17.4752 17.4802 18.9918 19.0391 19.3259 19.3649 20.0929 20.1375 22.9464 22.9844 25.2629 25.2716 30.2700 30.2780 33.3166 33.3609 k = 0.4286 0.4009 0.1515 ( 2200 PWs) bands (ev): -24.8004 -24.7997 4.8309 4.8498 12.3381 12.3520 15.4130 15.4275 17.4649 17.4696 18.9618 19.0112 19.3169 19.3588 20.0521 20.0995 22.8455 22.8856 25.3369 25.3458 30.3332 30.3413 33.4029 33.4477 k = 0.4248 0.4079 0.1595 ( 2200 PWs) bands (ev): -24.7981 -24.7974 4.8752 4.8950 12.3643 12.3789 15.3756 15.3911 17.4548 17.4590 18.9321 18.9834 19.3061 19.3507 20.0127 20.0627 22.7483 22.7905 25.4134 25.4224 30.3835 30.3915 33.4765 33.5203 k = 0.4211 0.4150 0.1674 ( 2198 PWs) bands (ev): -24.7958 -24.7950 4.9215 4.9422 12.3907 12.4059 15.3350 15.3516 17.4450 17.4486 18.9028 18.9559 19.2930 19.3402 19.9751 20.0277 22.6553 22.6995 25.4923 25.5013 30.4202 30.4280 33.5285 33.5696 k = 0.4173 0.4220 0.1754 ( 2202 PWs) bands (ev): -24.7933 -24.7926 4.9700 4.9915 12.4170 12.4329 15.2914 15.3089 17.4356 17.4386 18.8742 18.9289 19.2775 19.3270 19.9400 19.9948 22.5665 22.6126 25.5733 25.5823 30.4429 30.4502 33.5543 33.5918 k = 0.4135 0.4290 0.1834 ( 2196 PWs) bands (ev): -24.7909 -24.7901 5.0204 5.0429 12.4431 12.4595 15.2448 15.2634 17.4267 17.4289 18.8463 18.9024 19.2594 19.3106 19.9079 19.9643 22.4822 22.5301 25.6564 25.6655 30.4512 30.4580 33.5581 33.5924 k = 0.4098 0.4361 0.1914 ( 2196 PWs) bands (ev): -24.7883 -24.7875 5.0728 5.0962 12.4684 12.4855 15.1955 15.2151 17.4183 17.4196 18.8193 18.8767 19.2384 19.2908 19.8790 19.9365 22.4024 22.4521 25.7415 25.7506 30.4453 30.4514 33.5484 33.5803 k = 0.4060 0.4431 0.1993 ( 2188 PWs) bands (ev): -24.7857 -24.7849 5.1272 5.1514 12.4928 12.5104 15.1438 15.1644 17.4104 17.4109 18.7934 18.8517 19.2144 19.2674 19.8538 19.9116 22.3274 22.3786 25.8285 25.8376 30.4254 30.4307 33.5326 33.5628 k = 0.4023 0.4501 0.2073 ( 2184 PWs) bands (ev): -24.7830 -24.7822 5.1835 5.2085 12.5158 12.5339 15.0902 15.1117 17.4026 17.4032 18.7686 18.8277 19.1876 19.2405 19.8322 19.8898 22.2571 22.3098 25.9174 25.9265 30.3919 30.3963 33.5153 33.5441 k = 0.3985 0.4572 0.2153 ( 2184 PWs) bands (ev): -24.7803 -24.7795 5.2417 5.2675 12.5368 12.5555 15.0352 15.0576 17.3949 17.3964 18.7449 18.8046 19.1579 19.2102 19.8143 19.8710 22.1915 22.2456 26.0080 26.0171 30.3455 30.3490 33.4991 33.5269 k = 0.3947 0.4642 0.2233 ( 2184 PWs) bands (ev): -24.7776 -24.7767 5.3017 5.3283 12.5555 12.5746 14.9795 15.0027 17.3875 17.3902 18.7226 18.7826 19.1257 19.1767 19.7999 19.8550 22.1307 22.1860 26.1004 26.1094 30.2872 30.2897 33.4853 33.5122 k = 0.3910 0.4712 0.2312 ( 2188 PWs) bands (ev): -24.7748 -24.7740 5.3634 5.3908 12.5711 12.5907 14.9237 14.9479 17.3806 17.3843 18.7015 18.7617 19.0912 19.1406 19.7885 19.8418 22.0746 22.1310 26.1944 26.2033 30.2179 30.2195 33.4744 33.5004 k = 0.3872 0.4783 0.2392 ( 2188 PWs) bands (ev): -24.7720 -24.7712 5.4269 5.4551 12.5830 12.6030 14.8688 14.8938 17.3738 17.3787 18.6818 18.7420 19.0547 19.1022 19.7799 19.8309 22.0232 22.0805 26.2900 26.2988 30.1387 30.1395 33.4664 33.4913 k = 0.3835 0.4853 0.2472 ( 2180 PWs) bands (ev): -24.7692 -24.7683 5.4920 5.5209 12.5906 12.6109 14.8156 14.8415 17.3673 17.3733 18.6635 18.7235 19.0165 19.0620 19.7736 19.8223 21.9764 22.0345 26.3871 26.3958 30.0509 30.0509 33.4607 33.4845 k = 0.3797 0.4923 0.2552 ( 2180 PWs) bands (ev): -24.7664 -24.7655 5.5587 5.5884 12.5930 12.6136 14.7652 14.7919 17.3607 17.3680 18.6466 18.7062 18.9770 19.0205 19.7693 19.8155 21.9341 21.9929 26.4857 26.4943 29.9549 29.9556 33.4565 33.4792 k = 0.3759 0.4994 0.2631 ( 2180 PWs) bands (ev): -24.7635 -24.7626 5.6270 5.6573 12.5895 12.6104 14.7185 14.7460 17.3540 17.3624 18.6311 18.6903 18.9365 18.9780 19.7667 19.8104 21.8962 21.9555 26.5858 26.5943 29.8527 29.8540 33.4530 33.4743 k = 0.3722 0.5064 0.2711 ( 2184 PWs) bands (ev): -24.7607 -24.7598 5.6966 5.7277 12.5795 12.6006 14.6766 14.7049 17.3470 17.3566 18.6170 18.6756 18.8953 18.9350 19.7653 19.8066 21.8626 21.9223 26.6872 26.6956 29.7454 29.7472 33.4492 33.4687 k = 0.3684 0.5134 0.2791 ( 2184 PWs) bands (ev): -24.7579 -24.7569 5.7677 5.7994 12.5622 12.5834 14.6403 14.6694 17.3396 17.3504 18.6043 18.6623 18.8537 18.8919 19.7650 19.8040 21.8332 21.8930 26.7900 26.7983 29.6339 29.6362 33.4437 33.4612 k = 0.3647 0.5204 0.2870 ( 2184 PWs) bands (ev): -24.7550 -24.7541 5.8401 5.8724 12.5371 12.5585 14.6104 14.6403 17.3316 17.3435 18.5930 18.6504 18.8120 18.8489 19.7656 19.8023 21.8078 21.8677 26.8941 26.9023 29.5193 29.5220 33.4353 33.4504 k = 0.3609 0.5275 0.2950 ( 2184 PWs) bands (ev): -24.7522 -24.7513 5.9136 5.9466 12.5041 12.5256 14.5874 14.6182 17.3229 17.3359 18.5828 18.6398 18.7704 18.8063 19.7668 19.8014 21.7863 21.8462 26.9995 27.0075 29.4024 29.4054 33.4228 33.4349 k = 0.3571 0.5345 0.3030 ( 2178 PWs) bands (ev): -24.7495 -24.7485 5.9883 6.0219 12.4630 12.4845 14.5718 14.6035 17.3133 17.3274 18.5737 18.6305 18.7291 18.7646 19.7684 19.8010 21.7685 21.8282 27.1061 27.1139 29.2840 29.2872 33.4048 33.4134 k = 0.3534 0.5415 0.3110 ( 2180 PWs) bands (ev): -24.7467 -24.7458 6.0640 6.0981 12.4140 12.4355 14.5637 14.5961 17.3028 17.3180 18.5652 18.6224 18.6884 18.7242 19.7704 19.8011 21.7544 21.8137 27.2138 27.2215 29.1648 29.1682 33.3799 33.3845 k = 0.3496 0.5486 0.3189 ( 2180 PWs) bands (ev): -24.7440 -24.7431 6.1405 6.1752 12.3574 12.3790 14.5628 14.5961 17.2913 17.3074 18.5568 18.6149 18.6490 18.6858 19.7726 19.8014 21.7436 21.8025 27.3227 27.3301 29.0455 29.0489 33.3470 33.3471 k = 0.3459 0.5556 0.3269 ( 2180 PWs) bands (ev): -24.7413 -24.7404 6.2178 6.2530 12.2939 12.3155 14.5690 14.6031 17.2787 17.2958 18.5471 18.6014 18.6177 18.6507 19.7748 19.8020 21.7362 21.7945 27.4326 27.4398 28.9265 28.9300 33.3004 33.3052 k = 0.3421 0.5626 0.3349 ( 2184 PWs) bands (ev): -24.7387 -24.7378 6.2956 6.3313 12.2242 12.2459 14.5817 14.6166 17.2650 17.2829 18.5339 18.5671 18.6090 18.6214 19.7771 19.8026 21.7319 21.7895 27.5434 27.5505 28.8085 28.8120 33.2440 33.2540 k = 0.3384 0.5697 0.3429 ( 2184 PWs) bands (ev): -24.7362 -24.7353 6.3739 6.4100 12.1492 12.1708 14.6005 14.6361 17.2501 17.2688 18.5143 18.5301 18.6005 18.6052 19.7792 19.8032 21.7305 21.7873 27.6552 27.6621 28.6919 28.6953 33.1778 33.1930 k = 0.3346 0.5767 0.3508 ( 2197 PWs) bands (ev): -24.7337 -24.7328 6.4525 6.4890 12.0697 12.0913 14.6247 14.6610 17.2341 17.2534 18.4882 18.4936 18.5884 18.6029 19.7812 19.8038 21.7320 21.7879 27.7678 27.7744 28.5770 28.5804 33.1022 33.1226 k = 0.3308 0.5837 0.3588 ( 2189 PWs) bands (ev): -24.7313 -24.7304 6.5310 6.5679 11.9865 12.0081 14.6536 14.6908 17.2170 17.2369 18.4581 18.4582 18.5823 18.6015 19.7829 19.8041 21.7362 21.7911 27.8812 27.8876 28.4644 28.4676 33.0181 33.0433 k = 0.3271 0.5908 0.3668 ( 2185 PWs) bands (ev): -24.7289 -24.7280 6.6094 6.6466 11.9007 11.9222 14.6868 14.7247 17.1988 17.2191 18.4241 18.4266 18.5796 18.6009 19.7844 19.8042 21.7429 21.7966 27.9951 28.0012 28.3543 28.3573 32.9265 32.9561 k = 0.3233 0.5978 0.3748 ( 2193 PWs) bands (ev): -24.7267 -24.7258 6.6874 6.7248 11.8131 11.8345 14.7237 14.7623 17.1795 17.2002 18.3912 18.3951 18.5789 18.6010 19.7854 19.8040 21.7519 21.8045 28.1094 28.1152 28.2472 28.2501 32.8283 32.8619 k = 0.3196 0.6048 0.3827 ( 2193 PWs) bands (ev): -24.7245 -24.7236 6.7646 6.8022 11.7244 11.7457 14.7637 14.8029 17.1592 17.1801 18.3597 18.3642 18.5794 18.6016 19.7861 19.8034 21.7632 21.8145 28.1415 28.1440 28.2256 28.2313 32.7246 32.7618 k = 0.3158 0.6119 0.3907 ( 2189 PWs) bands (ev): -24.7224 -24.7216 6.8408 6.8785 11.6357 11.6568 14.8063 14.8462 17.1379 17.1590 18.3296 18.3344 18.5807 18.6025 19.7862 19.8024 21.7766 21.8266 28.0410 28.0433 28.3403 28.3456 32.6165 32.6567 k = 0.3120 0.6189 0.3987 ( 2185 PWs) bands (ev): -24.7204 -24.7196 6.9155 6.9533 11.5476 11.5686 14.8512 14.8917 17.1158 17.1369 18.3011 18.3058 18.5826 18.6038 19.7859 19.8009 21.7920 21.8405 27.9435 27.9456 28.4555 28.4605 32.5047 32.5476 k = 0.3083 0.6259 0.4067 ( 2185 PWs) bands (ev): -24.7185 -24.7177 6.9885 7.0262 11.4611 11.4817 14.8978 14.9390 17.0929 17.1140 18.2741 18.2786 18.5847 18.6052 19.7850 19.7989 21.8092 21.8562 27.8496 27.8514 28.5707 28.5753 32.3901 32.4352 k = 0.3045 0.6330 0.4146 ( 2181 PWs) bands (ev): -24.7167 -24.7159 7.0591 7.0967 11.3768 11.3971 14.9458 14.9876 17.0692 17.0902 18.2488 18.2530 18.5870 18.6066 19.7835 19.7964 21.8281 21.8736 27.7595 27.7609 28.6855 28.6897 32.2732 32.3203 k = 0.3008 0.6400 0.4226 ( 2181 PWs) bands (ev): -24.7150 -24.7143 7.1270 7.1643 11.2957 11.3155 14.9948 15.0372 17.0449 17.0656 18.2250 18.2289 18.5893 18.6081 19.7814 19.7932 21.8487 21.8925 27.6733 27.6744 28.7997 28.8035 32.1547 32.2033 k = 0.2970 0.6470 0.4306 ( 2181 PWs) bands (ev): -24.7135 -24.7128 7.1916 7.2284 11.2186 11.2378 15.0445 15.0874 17.0201 17.0405 18.2030 18.2064 18.5916 18.6096 19.7787 19.7895 21.8707 21.9129 27.5910 27.5919 28.9131 28.9164 32.0349 32.0849 k = 0.2932 0.6541 0.4385 ( 2181 PWs) bands (ev): -24.7121 -24.7113 7.2522 7.2884 11.1463 11.1648 15.0945 15.1379 16.9949 17.0148 18.1827 18.1857 18.5938 18.6109 19.7753 19.7850 21.8942 21.9346 27.5129 27.5134 29.0252 29.0280 31.9143 31.9654 k = 0.2895 0.6611 0.4465 ( 2181 PWs) bands (ev): -24.7107 -24.7100 7.3082 7.3437 11.0797 11.0974 15.1445 15.1883 16.9694 16.9888 18.1642 18.1667 18.5958 18.6121 19.7711 19.7799 21.9190 21.9576 27.4389 27.4390 29.1356 29.1378 31.7932 31.8452 k = 0.2857 0.6681 0.4545 ( 2181 PWs) bands (ev): -24.7096 -24.7089 7.3589 7.3934 11.0197 11.0364 15.1942 15.2383 16.9438 16.9625 18.1474 18.1495 18.5976 18.6132 19.7663 19.7741 21.9451 21.9818 27.3688 27.3690 29.2438 29.2455 31.6719 31.7246 k = 0.2857 0.6681 0.4545 ( 2181 PWs) bands (ev): -24.7096 -24.7089 7.3589 7.3934 11.0197 11.0364 15.1942 15.2383 16.9438 16.9625 18.1474 18.1495 18.5976 18.6132 19.7663 19.7741 21.9451 21.9818 27.3688 27.3690 29.2438 29.2455 31.6719 31.7246 k = 0.2751 0.6656 0.4573 ( 2181 PWs) bands (ev): -24.7092 -24.7085 7.3747 7.4089 11.0016 11.0179 15.2110 15.2553 16.9348 16.9533 18.1419 18.1438 18.5973 18.6125 19.7643 19.7717 21.9557 21.9917 27.3462 27.3465 29.2816 29.2831 31.6259 31.6788 k = 0.2646 0.6632 0.4601 ( 2181 PWs) bands (ev): -24.7088 -24.7082 7.3886 7.4222 10.9871 11.0029 15.2270 15.2712 16.9259 16.9441 18.1366 18.1383 18.5950 18.6099 19.7620 19.7691 21.9688 22.0041 27.3265 27.3268 29.3194 29.3207 31.5737 31.6265 k = 0.2540 0.6607 0.4629 ( 2177 PWs) bands (ev): -24.7085 -24.7078 7.4005 7.4335 10.9759 10.9911 15.2419 15.2861 16.9171 16.9351 18.1313 18.1329 18.5908 18.6055 19.7596 19.7663 21.9842 22.0187 27.3099 27.3102 29.3570 29.3581 31.5158 31.5684 k = 0.2434 0.6582 0.4657 ( 2183 PWs) bands (ev): -24.7081 -24.7075 7.4106 7.4428 10.9680 10.9826 15.2558 15.2998 16.9085 16.9262 18.1263 18.1277 18.5849 18.5992 19.7569 19.7634 22.0016 22.0354 27.2967 27.2969 29.3942 29.3951 31.4526 31.5049 k = 0.2328 0.6557 0.4685 ( 2183 PWs) bands (ev): -24.7078 -24.7072 7.4189 7.4502 10.9632 10.9772 15.2687 15.3123 16.9001 16.9174 18.1214 18.1226 18.5773 18.5912 19.7541 19.7602 22.0209 22.0538 27.2870 27.2870 29.4308 29.4316 31.3848 31.4366 k = 0.2222 0.6533 0.4713 ( 2183 PWs) bands (ev): -24.7076 -24.7070 7.4255 7.4559 10.9614 10.9746 15.2805 15.3236 16.8918 16.9089 18.1166 18.1177 18.5681 18.5816 19.7512 19.7570 22.0418 22.0737 27.2808 27.2810 29.4667 29.4673 31.3128 31.3639 k = 0.2116 0.6508 0.4741 ( 2189 PWs) bands (ev): -24.7073 -24.7067 7.4305 7.4599 10.9622 10.9747 15.2912 15.3337 16.8839 16.9006 18.1120 18.1129 18.5576 18.5707 19.7483 19.7538 22.0640 22.0949 27.2783 27.2787 29.5017 29.5021 31.2371 31.2875 k = 0.2011 0.6483 0.4769 ( 2185 PWs) bands (ev): -24.7071 -24.7065 7.4341 7.4624 10.9655 10.9773 15.3008 15.3427 16.8762 16.8926 18.1076 18.1083 18.5459 18.5585 19.7453 19.7505 22.0872 22.1171 27.2795 27.2803 29.5356 29.5358 31.1584 31.2078 k = 0.1905 0.6458 0.4798 ( 2181 PWs) bands (ev): -24.7068 -24.7063 7.4364 7.4635 10.9711 10.9821 15.3094 15.3504 16.8689 16.8848 18.1033 18.1039 18.5331 18.5453 19.7423 19.7472 22.1112 22.1401 27.2845 27.2857 29.5682 29.5683 31.0771 31.1255 k = 0.1799 0.6434 0.4826 ( 2181 PWs) bands (ev): -24.7066 -24.7061 7.4375 7.4634 10.9786 10.9888 15.3170 15.3569 16.8620 16.8774 18.0992 18.0997 18.5195 18.5312 19.7394 19.7439 22.1357 22.1634 27.2933 27.2950 29.5995 29.5995 30.9939 31.0411 k = 0.1693 0.6409 0.4854 ( 2185 PWs) bands (ev): -24.7064 -24.7059 7.4377 7.4622 10.9878 10.9971 15.3235 15.3623 16.8554 16.8704 18.0953 18.0956 18.5053 18.5165 19.7365 19.7408 22.1604 22.1869 27.3058 27.3079 29.6291 29.6292 30.9092 30.9552 k = 0.1587 0.6384 0.4882 ( 2187 PWs) bands (ev): -24.7062 -24.7058 7.4369 7.4601 10.9983 11.0069 15.3291 15.3666 16.8493 16.8637 18.0915 18.0918 18.4907 18.5014 19.7337 19.7377 22.1851 22.2102 27.3218 27.3244 29.6572 29.6574 30.8238 30.8684 k = 0.1482 0.6359 0.4910 ( 2185 PWs) bands (ev): -24.7061 -24.7056 7.4355 7.4573 11.0100 11.0178 15.3339 15.3698 16.8437 16.8575 18.0880 18.0881 18.4760 18.4860 19.7310 19.7347 22.2094 22.2332 27.3412 27.3443 29.6835 29.6838 30.7382 30.7812 k = 0.1376 0.6335 0.4938 ( 2183 PWs) bands (ev): -24.7059 -24.7055 7.4335 7.4538 11.0224 11.0295 15.3378 15.3721 16.8385 16.8516 18.0846 18.0847 18.4612 18.4707 19.7284 19.7318 22.2331 22.2555 27.3636 27.3672 29.7082 29.7086 30.6530 30.6943 k = 0.1270 0.6310 0.4966 ( 2177 PWs) bands (ev): -24.7058 -24.7054 7.4311 7.4499 11.0354 11.0417 15.3410 15.3734 16.8338 16.8462 18.0815 18.0815 18.4467 18.4555 19.7260 19.7291 22.2560 22.2770 27.3887 27.3928 29.7310 29.7315 30.5689 30.6083 k = 0.1164 0.6285 0.4994 ( 2178 PWs) bands (ev): -24.7056 -24.7053 7.4283 7.4457 11.0485 11.0541 15.3435 15.3739 16.8296 16.8412 18.0785 18.0786 18.4325 18.4407 19.7237 19.7265 22.2779 22.2973 27.4161 27.4207 29.7520 29.7526 30.4867 30.5240 k = 0.1058 0.6260 0.5022 ( 2178 PWs) bands (ev): -24.7055 -24.7052 7.4255 7.4413 11.0616 11.0665 15.3455 15.3738 16.8259 16.8366 18.0757 18.0759 18.4190 18.4265 19.7216 19.7242 22.2986 22.3165 27.4453 27.4502 29.7711 29.7718 30.4070 30.4421 k = 0.0952 0.6236 0.5050 ( 2177 PWs) bands (ev): -24.7054 -24.7051 7.4226 7.4369 11.0744 11.0787 15.3471 15.3730 16.8226 16.8325 18.0732 18.0734 18.4063 18.4131 19.7197 19.7220 22.3179 22.3341 27.4756 27.4808 29.7884 29.7891 30.3308 30.3634 k = 0.0847 0.6211 0.5078 ( 2172 PWs) bands (ev): -24.7053 -24.7050 7.4198 7.4325 11.0865 11.0902 15.3483 15.3718 16.8198 16.8287 18.0709 18.0712 18.3945 18.4006 19.7180 19.7200 22.3356 22.3502 27.5064 27.5117 29.8037 29.8045 30.2590 30.2888 k = 0.0741 0.6186 0.5106 ( 2172 PWs) bands (ev): -24.7052 -24.7050 7.4172 7.4283 11.0979 11.1010 15.3493 15.3701 16.8175 16.8254 18.0689 18.0692 18.3837 18.3891 19.7164 19.7182 22.3517 22.3646 27.5368 27.5421 29.8172 29.8180 30.1924 30.2192 k = 0.0635 0.6161 0.5134 ( 2174 PWs) bands (ev): -24.7051 -24.7049 7.4148 7.4244 11.1082 11.1108 15.3501 15.3682 16.8156 16.8225 18.0672 18.0674 18.3742 18.3788 19.7151 19.7166 22.3660 22.3771 27.5661 27.5712 29.8288 29.8297 30.1321 30.1556 k = 0.0529 0.6137 0.5162 ( 2172 PWs) bands (ev): -24.7051 -24.7049 7.4128 7.4208 11.1173 11.1194 15.3509 15.3661 16.8141 16.8199 18.0657 18.0659 18.3660 18.3699 19.7140 19.7152 22.3784 22.3877 27.5932 27.5979 29.8385 29.8395 30.0792 30.0991 k = 0.0423 0.6112 0.5190 ( 2174 PWs) bands (ev): -24.7050 -24.7049 7.4112 7.4176 11.1250 11.1267 15.3517 15.3640 16.8131 16.8177 18.0645 18.0647 18.3592 18.3623 19.7131 19.7141 22.3888 22.3963 27.6172 27.6213 29.8464 29.8474 30.0346 30.0507 k = 0.0317 0.6087 0.5219 ( 2172 PWs) bands (ev): -24.7050 -24.7049 7.4101 7.4149 11.1312 11.1324 15.3526 15.3619 16.8124 16.8159 18.0636 18.0637 18.3540 18.3563 19.7124 19.7131 22.3972 22.4028 27.6373 27.6405 29.8524 29.8533 29.9993 30.0114 k = 0.0212 0.6062 0.5247 ( 2174 PWs) bands (ev): -24.7049 -24.7048 7.4095 7.4127 11.1358 11.1366 15.3536 15.3599 16.8121 16.8144 18.0629 18.0630 18.3503 18.3518 19.7120 19.7124 22.4035 22.4072 27.6524 27.6547 29.8566 29.8574 29.9741 29.9821 k = 0.0106 0.6038 0.5275 ( 2176 PWs) bands (ev): -24.7049 -24.7049 7.4095 7.4111 11.1386 11.1390 15.3549 15.3580 16.8122 16.8133 18.0625 18.0626 18.3482 18.3490 19.7117 19.7120 22.4076 22.4095 27.6621 27.6633 29.8592 29.8597 29.9596 29.9636 k = 0.0000 0.6013 0.5303 ( 2180 PWs) bands (ev): -24.7049 -24.7049 7.4100 7.4100 11.1397 11.1397 15.3564 15.3564 16.8126 16.8126 18.0624 18.0624 18.3478 18.3478 19.7117 19.7117 22.4097 22.4097 27.6658 27.6658 29.8602 29.8602 29.9560 29.9560 k = 0.0000 0.6013 0.5303 ( 2180 PWs) bands (ev): -24.7049 -24.7049 7.4100 7.4100 11.1397 11.1397 15.3564 15.3564 16.8126 16.8126 18.0624 18.0624 18.3478 18.3478 19.7117 19.7117 22.4097 22.4097 27.6658 27.6658 29.8602 29.8602 29.9560 29.9560 k = 0.0038 0.5942 0.5383 ( 2176 PWs) bands (ev): -24.7048 -24.7048 7.4110 7.4113 11.1400 11.1411 15.3550 15.3560 16.8133 16.8138 18.0389 18.0530 18.3578 18.3710 19.7107 19.7116 22.4093 22.4098 27.6647 27.6651 29.7867 29.8073 29.9966 30.0200 k = 0.0076 0.5871 0.5463 ( 2176 PWs) bands (ev): -24.7046 -24.7046 7.4142 7.4148 11.1419 11.1441 15.3521 15.3540 16.8161 16.8171 17.9932 18.0158 18.3960 18.4168 19.7085 19.7103 22.4089 22.4099 27.6617 27.6625 29.6805 29.7016 30.0684 30.0950 k = 0.0114 0.5800 0.5544 ( 2176 PWs) bands (ev): -24.7044 -24.7044 7.4197 7.4206 11.1456 11.1489 15.3474 15.3503 16.8208 16.8225 17.9368 17.9636 18.4495 18.4738 19.7052 19.7079 22.4084 22.4098 27.6570 27.6581 29.5609 29.5812 30.1342 30.1626 k = 0.0152 0.5729 0.5624 ( 2174 PWs) bands (ev): -24.7040 -24.7040 7.4275 7.4286 11.1508 11.1552 15.3411 15.3449 16.8275 16.8298 17.8753 17.9046 18.5102 18.5361 19.7009 19.7044 22.4077 22.4096 27.6503 27.6519 29.4305 29.4499 30.1916 30.2216 k = 0.0189 0.5659 0.5704 ( 2172 PWs) bands (ev): -24.7035 -24.7035 7.4375 7.4389 11.1577 11.1632 15.3331 15.3379 16.8360 16.8390 17.8115 17.8424 18.5745 18.6013 19.6955 19.6999 22.4069 22.4093 27.6417 27.6436 29.2904 29.3092 30.2410 30.2723 k = 0.0227 0.5588 0.5785 ( 2172 PWs) bands (ev): -24.7029 -24.7029 7.4498 7.4515 11.1662 11.1728 15.3234 15.3291 16.8464 16.8502 17.7469 17.7789 18.6404 18.6678 19.6891 19.6945 22.4059 22.4087 27.6312 27.6334 29.1420 29.1603 30.2828 30.3155 k = 0.0265 0.5517 0.5865 ( 2170 PWs) bands (ev): -24.7021 -24.7021 7.4643 7.4662 11.1763 11.1839 15.3121 15.3186 16.8584 16.8631 17.6822 17.7151 18.7070 18.7349 19.6820 19.6882 22.4047 22.4080 27.6186 27.6209 28.9862 29.0043 30.3178 30.3519 k = 0.0303 0.5446 0.5945 ( 2172 PWs) bands (ev): -24.7013 -24.7013 7.4810 7.4833 11.1880 11.1966 15.2990 15.3064 16.8719 16.8778 17.6180 17.6518 18.7737 18.8022 19.6741 19.6812 22.4034 22.4071 27.6038 27.6063 28.8242 28.8425 30.3467 30.3821 k = 0.0341 0.5375 0.6026 ( 2170 PWs) bands (ev): -24.7004 -24.7004 7.5000 7.5025 11.2011 11.2108 15.2843 15.2923 16.8866 16.8940 17.5548 17.5893 18.8400 18.8693 19.6657 19.6738 22.4018 22.4059 27.5868 27.5892 28.6571 28.6759 30.3699 30.4067 k = 0.0379 0.5304 0.6106 ( 2170 PWs) bands (ev): -24.6994 -24.6994 7.5212 7.5240 11.2157 11.2264 15.2677 15.2766 16.9022 16.9114 17.4931 17.5284 18.9053 18.9357 19.6570 19.6663 22.4000 22.4045 27.5674 27.5696 28.4860 28.5058 30.3876 30.4261 k = 0.0417 0.5233 0.6186 ( 2174 PWs) bands (ev): -24.6982 -24.6982 7.5446 7.5476 11.2316 11.2434 15.2495 15.2590 16.9180 16.9295 17.4337 17.4698 18.9693 19.0010 19.6484 19.6590 22.3980 22.4028 27.5455 27.5470 28.3121 28.3333 30.4002 30.4403 k = 0.0455 0.5163 0.6267 ( 2174 PWs) bands (ev): -24.6970 -24.6970 7.5702 7.5735 11.2490 11.2617 15.2295 15.2395 16.9331 16.9477 17.3776 17.4146 19.0311 19.0648 19.6403 19.6527 22.3956 22.4007 27.5205 27.5212 28.1362 28.1598 30.4075 30.4494 k = 0.0492 0.5092 0.6347 ( 2176 PWs) bands (ev): -24.6957 -24.6957 7.5980 7.6015 11.2676 11.2813 15.2076 15.2183 16.9458 16.9645 17.3262 17.3642 19.0899 19.1261 19.6335 19.6480 22.3930 22.3984 27.4900 27.4931 27.9597 27.9871 30.4095 30.4534 k = 0.0530 0.5021 0.6428 ( 2168 PWs) bands (ev): -24.6943 -24.6943 7.6280 7.6317 11.2874 11.3021 15.1840 15.1951 16.9537 16.9776 17.2822 17.3213 19.1446 19.1839 19.6290 19.6463 22.3899 22.3956 27.4521 27.4607 27.7846 27.8184 30.4058 30.4518 k = 0.0568 0.4950 0.6508 ( 2168 PWs) bands (ev): -24.6928 -24.6928 7.6601 7.6640 11.3084 11.3240 15.1585 15.1700 16.9535 16.9831 17.2496 17.2892 19.1936 19.2365 19.6284 19.6490 22.3865 22.3924 27.3998 27.4191 27.6161 27.6617 30.3961 30.4444 k = 0.0606 0.4879 0.6588 ( 2168 PWs) bands (ev): -24.6912 -24.6912 7.6943 7.6985 11.3305 11.3470 15.1312 15.1430 16.9421 16.9765 17.2326 17.2715 19.2349 19.2815 19.6342 19.6581 22.3827 22.3888 27.3154 27.3456 27.4776 27.5351 30.3800 30.4307 k = 0.0644 0.4808 0.6669 ( 2172 PWs) bands (ev): -24.6895 -24.6895 7.7307 7.7351 11.3535 11.3709 15.1019 15.1140 16.9186 16.9559 17.2329 17.2693 19.2668 19.3162 19.6488 19.6753 22.3785 22.3846 27.1862 27.2073 27.4026 27.4520 30.3572 30.4104 k = 0.0682 0.4738 0.6749 ( 2168 PWs) bands (ev): -24.6878 -24.6878 7.7692 7.7739 11.3775 11.3957 15.0708 15.0831 16.8856 16.9240 17.2477 17.2806 19.2882 19.3387 19.6742 19.7017 22.3737 22.3800 27.0304 27.0415 27.3545 27.3947 30.3273 30.3830 k = 0.0720 0.4667 0.6829 ( 2172 PWs) bands (ev): -24.6860 -24.6859 7.8098 7.8146 11.4023 11.4213 15.0377 15.0501 16.8465 16.8852 17.2723 17.3020 19.2995 19.3494 19.7101 19.7370 22.3684 22.3748 26.8653 26.8714 27.3107 27.3461 30.2902 30.3485 k = 0.0758 0.4596 0.6910 ( 2170 PWs) bands (ev): -24.6841 -24.6841 7.8525 7.8575 11.4278 11.4476 15.0026 15.0151 16.8042 16.8429 17.3036 17.3307 19.3022 19.3502 19.7542 19.7796 22.3626 22.3691 26.6976 26.7021 27.2670 27.2999 30.2460 30.3067 k = 0.0795 0.4525 0.6990 ( 2170 PWs) bands (ev): -24.6821 -24.6821 7.8972 7.9024 11.4540 11.4745 14.9656 14.9781 16.7607 16.7993 17.3395 17.3645 19.2980 19.3439 19.8040 19.8277 22.3562 22.3627 26.5301 26.5351 27.2222 27.2540 30.1947 30.2577 k = 0.0833 0.4454 0.7070 ( 2164 PWs) bands (ev): -24.6801 -24.6801 7.9440 7.9493 11.4807 11.5019 14.9266 14.9390 16.7173 16.7557 17.3787 17.4023 19.2888 19.3325 19.8572 19.8795 22.3492 22.3558 26.3648 26.3709 27.1762 27.2073 30.1367 30.2020 k = 0.0871 0.4383 0.7151 ( 2172 PWs) bands (ev): -24.6780 -24.6780 7.9927 7.9982 11.5079 11.5298 14.8856 14.8978 16.6746 16.7129 17.4206 17.4432 19.2759 19.3177 19.9121 19.9335 22.3416 22.3481 26.2027 26.2099 27.1287 27.1597 30.0725 30.1398 k = 0.0909 0.4312 0.7231 ( 2174 PWs) bands (ev): -24.6759 -24.6759 8.0434 8.0491 11.5354 11.5579 14.8426 14.8546 16.6333 16.6714 17.4647 17.4865 19.2603 19.3005 19.9678 19.9887 22.3333 22.3398 26.0443 26.0525 27.0800 27.1110 30.0026 30.0718 k = 0.0947 0.4242 0.7311 ( 2172 PWs) bands (ev): -24.6737 -24.6737 8.0961 8.1019 11.5632 11.5862 14.7976 14.8094 16.5936 16.6314 17.5106 17.5320 19.2427 19.2815 20.0234 20.0443 22.3243 22.3308 25.8902 25.8994 27.0301 27.0614 29.9276 29.9986 k = 0.0985 0.4171 0.7392 ( 2176 PWs) bands (ev): -24.6715 -24.6715 8.1507 8.1566 11.5911 11.6147 14.7507 14.7621 16.5558 16.5933 17.5581 17.5793 19.2236 19.2612 20.0783 20.0996 22.3146 22.3211 25.7408 25.7510 26.9793 27.0109 29.8481 29.9208 k = 0.1023 0.4100 0.7472 ( 2174 PWs) bands (ev): -24.6693 -24.6692 8.2071 8.2132 11.6191 11.6431 14.7018 14.7129 16.5200 16.5573 17.6070 17.6281 19.2035 19.2400 20.1323 20.1541 22.3042 22.3106 25.5966 25.6077 26.9277 26.9597 29.7648 29.8389 k = 0.1061 0.4029 0.7552 ( 2174 PWs) bands (ev): -24.6670 -24.6670 8.2655 8.2717 11.6470 11.6715 14.6510 14.6617 16.4864 16.5233 17.6570 17.6781 19.1827 19.2181 20.1848 20.2074 22.2931 22.2995 25.4579 25.4700 26.8757 26.9080 29.6781 29.7536 k = 0.1098 0.3958 0.7633 ( 2174 PWs) bands (ev): -24.6647 -24.6646 8.3256 8.3319 11.6748 11.6996 14.5983 14.6086 16.4550 16.4915 17.7079 17.7293 19.1613 19.1958 20.2356 20.2591 22.2813 22.2876 25.3252 25.3383 26.8233 26.8560 29.5886 29.6653 k = 0.1136 0.3887 0.7713 ( 2178 PWs) bands (ev): -24.6623 -24.6623 8.3876 8.3940 11.7024 11.7275 14.5438 14.5537 16.4259 16.4619 17.7597 17.7813 19.1396 19.1732 20.2843 20.3089 22.2687 22.2751 25.1990 25.2131 26.7709 26.8040 29.4967 29.5745 k = 0.1174 0.3816 0.7793 ( 2174 PWs) bands (ev): -24.6600 -24.6600 8.4513 8.4578 11.7296 11.7550 14.4875 14.4970 16.3991 16.4345 17.8119 17.8339 19.1178 19.1504 20.3306 20.3563 22.2555 22.2618 25.0795 25.0947 26.7187 26.7522 29.4029 29.4816 k = 0.1212 0.3746 0.7874 ( 2174 PWs) bands (ev): -24.6576 -24.6576 8.5167 8.5232 11.7564 11.7820 14.4295 14.4385 16.3745 16.4094 17.8646 17.8870 19.0960 19.1277 20.3743 20.4012 22.2417 22.2480 24.9673 24.9836 26.6670 26.7008 29.3073 29.3869 k = 0.1250 0.3675 0.7954 ( 2176 PWs) bands (ev): -24.6552 -24.6552 8.5838 8.5904 11.7827 11.8084 14.3699 14.3784 16.3521 16.3864 17.9173 17.9403 19.0744 19.1051 20.4152 20.4431 22.2272 22.2336 24.8627 24.8802 26.6161 26.6502 29.2104 29.2908 k = 0.1288 0.3604 0.8034 ( 2180 PWs) bands (ev): -24.6529 -24.6529 8.6526 8.6592 11.8084 11.8342 14.3086 14.3167 16.3319 16.3655 17.9701 17.9936 19.0530 19.0827 20.4528 20.4818 22.2123 22.2187 24.7661 24.7848 26.5662 26.6005 29.1123 29.1935 k = 0.1326 0.3533 0.8115 ( 2180 PWs) bands (ev): -24.6505 -24.6505 8.7229 8.7295 11.8335 11.8593 14.2458 14.2535 16.3138 16.3467 18.0225 18.0468 19.0321 19.0608 20.4870 20.5171 22.1968 22.2033 24.6778 24.6978 26.5176 26.5520 29.0134 29.0953 k = 0.1364 0.3462 0.8195 ( 2184 PWs) bands (ev): -24.6482 -24.6481 8.7947 8.8014 11.8579 11.8836 14.1815 14.1888 16.2978 16.3299 18.0744 18.0994 19.0118 19.0393 20.5176 20.5486 22.1811 22.1876 24.5982 24.6194 26.4706 26.5050 28.9139 28.9963 k = 0.1402 0.3391 0.8275 ( 2182 PWs) bands (ev): -24.6458 -24.6458 8.8681 8.8747 11.8815 11.9071 14.1159 14.1227 16.2836 16.3149 18.1256 18.1514 18.9921 19.0184 20.5444 20.5763 22.1650 22.1717 24.5275 24.5500 26.4254 26.4597 28.8138 28.8967 k = 0.1439 0.3320 0.8356 ( 2180 PWs) bands (ev): -24.6435 -24.6435 8.9429 8.9495 11.9043 11.9296 14.0489 14.0553 16.2713 16.3017 18.1759 18.2024 18.9732 18.9983 20.5672 20.5998 22.1489 22.1556 24.4660 24.4896 26.3823 26.4164 28.7133 28.7967 k = 0.1477 0.3250 0.8436 ( 2182 PWs) bands (ev): -24.6412 -24.6412 9.0190 9.0256 11.9262 11.9513 13.9806 13.9867 16.2607 16.2901 18.2249 18.2523 18.9553 18.9790 20.5860 20.6192 22.1329 22.1396 24.4136 24.4383 26.3415 26.3754 28.6127 28.6964 k = 0.1515 0.3179 0.8516 ( 2184 PWs) bands (ev): -24.6389 -24.6389 9.0964 9.1030 11.9472 11.9719 13.9112 13.9169 16.2516 16.2801 18.2724 18.3008 18.9384 18.9607 20.6007 20.6344 22.1170 22.1238 24.3704 24.3962 26.3034 26.3368 28.5121 28.5960 k = 0.1553 0.3108 0.8597 ( 2182 PWs) bands (ev): -24.6367 -24.6367 9.1751 9.1816 11.9672 11.9916 13.8405 13.8460 16.2440 16.2714 18.3183 18.3476 18.9226 18.9434 20.6115 20.6454 22.1016 22.1084 24.3365 24.3633 26.2681 26.3010 28.4115 28.4956 k = 0.1591 0.3037 0.8677 ( 2180 PWs) bands (ev): -24.6345 -24.6345 9.2550 9.2614 11.9863 12.0103 13.7688 13.7739 16.2376 16.2640 18.3623 18.3926 18.9080 18.9274 20.6183 20.6523 22.0867 22.0935 24.3115 24.3392 26.2360 26.2682 28.3112 28.3954 k = 0.1629 0.2966 0.8757 ( 2180 PWs) bands (ev): -24.6324 -24.6324 9.3360 9.3423 12.0044 12.0279 13.6961 13.7009 16.2324 16.2577 18.4041 18.4355 18.8948 18.9126 20.6214 20.6552 22.0725 22.0792 24.2954 24.3237 26.2072 26.2385 28.2112 28.2954 k = 0.1667 0.2895 0.8838 ( 2178 PWs) bands (ev): -24.6303 -24.6303 9.4179 9.4242 12.0215 12.0445 13.6224 13.6270 16.2282 16.2524 18.4438 18.4761 18.8829 18.8992 20.6209 20.6544 22.0593 22.0659 24.2876 24.3166 26.1820 26.2123 28.1118 28.1959 k = 0.1705 0.2824 0.8918 ( 2174 PWs) bands (ev): -24.6282 -24.6282 9.5008 9.5070 12.0377 12.0600 13.5478 13.5522 16.2248 16.2479 18.4810 18.5143 18.8724 18.8874 20.6171 20.6501 22.0472 22.0536 24.2878 24.3173 26.1606 26.1898 28.0129 28.0970 k = 0.1742 0.2754 0.8999 ( 2180 PWs) bands (ev): -24.6263 -24.6263 9.5845 9.5906 12.0528 12.0745 13.4724 13.4766 16.2222 16.2441 18.5157 18.5500 18.8633 18.8772 20.6102 20.6425 22.0363 22.0425 24.2954 24.3253 26.1433 26.1711 27.9149 27.9987 k = 0.1780 0.2683 0.9079 ( 2180 PWs) bands (ev): -24.6244 -24.6244 9.6689 9.6748 12.0670 12.0880 13.3963 13.4003 16.2202 16.2408 18.5479 18.5831 18.8555 18.8686 20.6007 20.6321 22.0268 22.0327 24.3100 24.3402 26.1303 26.1565 27.8179 27.9013 k = 0.1818 0.2612 0.9159 ( 2176 PWs) bands (ev): -24.6225 -24.6225 9.7540 9.7597 12.0803 12.1005 13.3194 13.3233 16.2186 16.2381 18.5775 18.6135 18.8490 18.8618 20.5887 20.6191 22.0187 22.0245 24.3308 24.3612 26.1218 26.1462 27.7220 27.8050 k = 0.1856 0.2541 0.9240 ( 2166 PWs) bands (ev): -24.6208 -24.6208 9.8394 9.8450 12.0926 12.1120 13.2420 13.2458 16.2174 16.2356 18.6048 18.6413 18.8438 18.8566 20.5746 20.6039 22.0123 22.0178 24.3572 24.3877 26.1181 26.1405 27.6275 27.7099 k = 0.1894 0.2470 0.9320 ( 2170 PWs) bands (ev): -24.6191 -24.6191 9.9252 9.9306 12.1040 12.1226 13.1641 13.1678 16.2164 16.2334 18.6296 18.6666 18.8397 18.8530 20.5588 20.5867 22.0075 22.0127 24.3886 24.4191 26.1192 26.1394 27.5346 27.6163 k = 0.1932 0.2399 0.9400 ( 2176 PWs) bands (ev): -24.6175 -24.6175 10.0111 10.0163 12.1145 12.1323 13.0859 13.0896 16.2156 16.2314 18.6524 18.6894 18.8367 18.8507 20.5414 20.5679 22.0043 22.0092 24.4241 24.4545 26.1253 26.1432 27.4435 27.5244 k = 0.1970 0.2328 0.9481 ( 2174 PWs) bands (ev): -24.6160 -24.6160 10.0969 10.1019 12.1241 12.1411 13.0076 13.0112 16.2149 16.2295 18.6733 18.7100 18.8348 18.8496 20.5229 20.5479 22.0027 22.0073 24.4632 24.4935 26.1367 26.1521 27.3546 27.4344 k = 0.2008 0.2258 0.9561 ( 2174 PWs) bands (ev): -24.6145 -24.6145 10.1824 10.1871 12.1330 12.1490 12.9292 12.9330 16.2143 16.2277 18.6924 18.7286 18.8337 18.8492 20.5035 20.5270 22.0026 22.0070 24.5050 24.5350 26.1532 26.1663 27.2680 27.3467 k = 0.2045 0.2187 0.9641 ( 2170 PWs) bands (ev): -24.6132 -24.6132 10.2673 10.2718 12.1410 12.1562 12.8511 12.8550 16.2136 16.2258 18.7102 18.7452 18.8334 18.8495 20.4835 20.5054 22.0039 22.0080 24.5488 24.5785 26.1748 26.1858 27.1843 27.2616 k = 0.2083 0.2116 0.9722 ( 2172 PWs) bands (ev): -24.6120 -24.6119 10.3513 10.3555 12.1483 12.1625 12.7735 12.7776 16.2130 16.2240 18.7267 18.7603 18.8338 18.8501 20.4633 20.4835 22.0063 22.0102 24.5939 24.6231 26.2013 26.2112 27.1038 27.1795 k = 0.2121 0.2045 0.9802 ( 2174 PWs) bands (ev): -24.6108 -24.6108 10.4339 10.4378 12.1548 12.1682 12.6969 12.7012 16.2123 16.2222 18.7421 18.7738 18.8346 18.8510 20.4432 20.4617 22.0098 22.0134 24.6395 24.6681 26.2322 26.2425 27.0270 27.1009 k = 0.2159 0.1974 0.9882 ( 2176 PWs) bands (ev): -24.6098 -24.6098 10.5147 10.5182 12.1607 12.1731 12.6217 12.6262 16.2116 16.2204 18.7564 18.7859 18.8358 18.8519 20.4236 20.4404 22.0141 22.0174 24.6849 24.7126 26.2672 26.2796 26.9544 27.0261 k = 0.2197 0.1903 0.9963 ( 2180 PWs) bands (ev): -24.6088 -24.6088 10.5930 10.5961 12.1659 12.1774 12.5485 12.5533 16.2109 16.2186 18.7697 18.7966 18.8374 18.8529 20.4048 20.4198 22.0189 22.0218 24.7291 24.7557 26.3062 26.3219 26.8865 26.9559 k = 0.2235 0.1832 1.0043 ( 2180 PWs) bands (ev): -24.6080 -24.6080 10.6679 10.6706 12.1704 12.1811 12.4782 12.4833 16.2102 16.2169 18.7819 18.8057 18.8394 18.8539 20.3871 20.4003 22.0239 22.0266 24.7715 24.7965 26.3488 26.3685 26.8242 26.8909 k = 0.2273 0.1762 1.0123 ( 2180 PWs) bands (ev): -24.6073 -24.6073 10.7384 10.7408 12.1743 12.1842 12.4117 12.4171 16.2096 16.2153 18.7927 18.8132 18.8418 18.8549 20.3710 20.3824 22.0290 22.0312 24.8112 24.8342 26.3942 26.4185 26.7681 26.8319 k = 0.2311 0.1691 1.0204 ( 2180 PWs) bands (ev): -24.6067 -24.6067 10.8032 10.8051 12.1776 12.1867 12.3503 12.3562 16.2090 16.2137 18.8021 18.8187 18.8448 18.8560 20.3568 20.3663 22.0337 22.0357 24.8474 24.8679 26.4411 26.4701 26.7189 26.7796 k = 0.2348 0.1620 1.0284 ( 2182 PWs) bands (ev): -24.6062 -24.6062 10.8606 10.8621 12.1803 12.1887 12.2958 12.3020 16.2086 16.2124 18.8100 18.8225 18.8482 18.8572 20.3448 20.3525 22.0380 22.0396 24.8791 24.8964 26.4874 26.5213 26.6776 26.7351 k = 0.2386 0.1549 1.0364 ( 2186 PWs) bands (ev): -24.6058 -24.6058 10.9087 10.9098 12.1824 12.1901 12.2500 12.2565 16.2084 16.2112 18.8161 18.8248 18.8517 18.8582 20.3354 20.3412 22.0416 22.0428 24.9055 24.9192 26.5303 26.5685 26.6453 26.6992 k = 0.2424 0.1478 1.0445 ( 2188 PWs) bands (ev): -24.6055 -24.6055 10.9454 10.9461 12.1837 12.1909 12.2153 12.2220 16.2083 16.2101 18.8205 18.8259 18.8547 18.8590 20.3287 20.3326 22.0444 22.0452 24.9258 24.9352 26.5657 26.6030 26.6269 26.6731 k = 0.2462 0.1407 1.0525 ( 2188 PWs) bands (ev): -24.6053 -24.6053 10.9684 10.9688 12.1842 12.1891 12.1957 12.2005 16.2084 16.2093 18.8235 18.8261 18.8571 18.8592 20.3250 20.3270 22.0462 22.0466 24.9393 24.9441 26.5892 26.6014 26.6413 26.6575 k = 0.2500 0.1336 1.0605 ( 2188 PWs) bands (ev): -24.6053 -24.6053 10.9764 10.9764 12.1839 12.1839 12.1936 12.1936 16.2088 16.2088 18.8253 18.8253 18.8586 18.8586 20.3244 20.3244 22.0469 22.0469 24.9455 24.9455 26.5973 26.5973 26.6514 26.6514 k = 0.2500 0.1336 1.0605 ( 2188 PWs) bands (ev): -24.6053 -24.6053 10.9764 10.9764 12.1839 12.1839 12.1936 12.1936 16.2088 16.2088 18.8253 18.8253 18.8586 18.8586 20.3244 20.3244 22.0469 22.0469 24.9455 24.9455 26.5973 26.5973 26.6514 26.6514 k = 0.2586 0.1383 1.0553 ( 2188 PWs) bands (ev): -24.6053 -24.6053 10.9748 10.9749 12.1604 12.1610 12.2188 12.2189 16.2079 16.2083 18.7533 18.7534 18.9314 18.9317 20.3253 20.3262 22.0467 22.0469 24.9434 24.9458 26.4836 26.4880 26.7629 26.7632 k = 0.2672 0.1429 1.0501 ( 2188 PWs) bands (ev): -24.6053 -24.6053 10.9699 10.9701 12.1361 12.1374 12.2491 12.2493 16.2056 16.2063 18.6681 18.6685 19.0189 19.0197 20.3290 20.3308 22.0462 22.0465 24.9388 24.9442 26.3471 26.3566 26.8992 26.8994 k = 0.2759 0.1475 1.0449 ( 2185 PWs) bands (ev): -24.6054 -24.6054 10.9615 10.9617 12.1156 12.1175 12.2803 12.2805 16.2019 16.2029 18.5839 18.5845 19.1069 19.1081 20.3354 20.3383 22.0452 22.0457 24.9310 24.9399 26.2124 26.2274 27.0378 27.0379 k = 0.2845 0.1521 1.0396 ( 2184 PWs) bands (ev): -24.6054 -24.6054 10.9496 10.9497 12.0992 12.1016 12.3121 12.3124 16.1968 16.1982 18.5013 18.5022 19.1943 19.1961 20.3449 20.3489 22.0438 22.0443 24.9187 24.9317 26.0823 26.1032 27.1778 27.1778 k = 0.2931 0.1567 1.0344 ( 2182 PWs) bands (ev): -24.6055 -24.6055 10.9340 10.9341 12.0872 12.0900 12.3446 12.3449 16.1904 16.1921 18.4205 18.4216 19.2804 19.2828 20.3573 20.3625 22.0419 22.0425 24.9005 24.9184 25.9590 25.9864 27.3189 27.3189 k = 0.3017 0.1613 1.0292 ( 2180 PWs) bands (ev): -24.6057 -24.6057 10.9146 10.9150 12.0795 12.0827 12.3774 12.3779 16.1828 16.1847 18.3417 18.3430 19.3646 19.3676 20.3729 20.3792 22.0393 22.0400 24.8750 24.8984 25.8449 25.8794 27.4607 27.4609 k = 0.3103 0.1659 1.0240 ( 2180 PWs) bands (ev): -24.6058 -24.6058 10.8918 10.8925 12.0763 12.0796 12.4106 12.4112 16.1741 16.1762 18.2651 18.2667 19.4462 19.4499 20.3914 20.3991 22.0362 22.0369 24.8406 24.8696 25.7425 25.7843 27.5876 27.5927 k = 0.3190 0.1705 1.0187 ( 2178 PWs) bands (ev): -24.6060 -24.6060 10.8656 10.8667 12.0772 12.0808 12.4441 12.4447 16.1642 16.1667 18.1909 18.1927 19.5245 19.5290 20.4129 20.4220 22.0324 22.0331 24.7959 24.8303 25.6543 25.7031 27.6084 27.6238 k = 0.3276 0.1751 1.0135 ( 2174 PWs) bands (ev): -24.6062 -24.6062 10.8364 10.8379 12.0822 12.0859 12.4777 12.4784 16.1535 16.1562 18.1193 18.1213 19.5989 19.6045 20.4371 20.4477 22.0280 22.0287 24.7405 24.7795 25.5821 25.6368 27.6277 27.6454 k = 0.3362 0.1797 1.0083 ( 2170 PWs) bands (ev): -24.6064 -24.6064 10.8044 10.8065 12.0910 12.0947 12.5113 12.5121 16.1420 16.1449 18.0504 18.0526 19.6691 19.6757 20.4636 20.4759 22.0229 22.0236 24.6753 24.7174 25.5260 25.5852 27.6484 27.6680 k = 0.3448 0.1843 1.0031 ( 2168 PWs) bands (ev): -24.6067 -24.6066 10.7700 10.7727 12.1033 12.1071 12.5448 12.5456 16.1298 16.1330 17.9843 17.9867 19.7346 19.7423 20.4920 20.5061 22.0171 22.0178 24.6022 24.6457 25.4852 25.5473 27.6707 27.6921 k = 0.3534 0.1890 0.9978 ( 2173 PWs) bands (ev): -24.6069 -24.6069 10.7336 10.7368 12.1189 12.1226 12.5780 12.5789 16.1170 16.1205 17.9213 17.9239 19.7952 19.8041 20.5215 20.5374 22.0106 22.0113 24.5236 24.5674 25.4573 25.5211 27.6946 27.7177 k = 0.3621 0.1936 0.9926 ( 2171 PWs) bands (ev): -24.6072 -24.6072 10.6953 10.6991 12.1373 12.1411 12.6109 12.6119 16.1039 16.1077 17.8615 17.8643 19.8508 19.8611 20.5513 20.5691 22.0035 22.0041 24.4423 24.4855 25.4401 25.5047 27.7201 27.7449 k = 0.3707 0.1982 0.9874 ( 2170 PWs) bands (ev): -24.6075 -24.6075 10.6555 10.6600 12.1585 12.1622 12.6432 12.6443 16.0905 16.0946 17.8049 17.8080 19.9016 19.9133 20.5802 20.5999 21.9957 21.9962 24.3608 24.4030 25.4314 25.4963 27.7473 27.7738 k = 0.3793 0.2028 0.9822 ( 2170 PWs) bands (ev): -24.6079 -24.6078 10.6145 10.6196 12.1821 12.1857 12.6750 12.6762 16.0771 16.0814 17.7519 17.7551 19.9477 19.9609 20.6070 20.6288 21.9873 21.9877 24.2814 24.3224 25.4295 25.4946 27.7763 27.8045 k = 0.3879 0.2074 0.9769 ( 2170 PWs) bands (ev): -24.6082 -24.6082 10.5724 10.5782 12.2078 12.2114 12.7059 12.7072 16.0636 16.0683 17.7025 17.7059 19.9894 20.0042 20.6304 20.6544 21.9782 21.9786 24.2057 24.2455 25.4332 25.4984 27.8071 27.8369 k = 0.3966 0.2120 0.9717 ( 2168 PWs) bands (ev): -24.6086 -24.6085 10.5296 10.5359 12.2355 12.2391 12.7359 12.7373 16.0503 16.0554 17.6569 17.6605 20.0269 20.0436 20.6493 20.6756 21.9685 21.9688 24.1352 24.1739 25.4418 25.5072 27.8397 27.8711 k = 0.4052 0.2166 0.9665 ( 2172 PWs) bands (ev): -24.6090 -24.6089 10.4861 10.4931 12.2649 12.2685 12.7649 12.7664 16.0373 16.0427 17.6151 17.6189 20.0604 20.0792 20.6626 20.6914 21.9582 21.9584 24.0710 24.1087 25.4548 25.5204 27.8743 27.9072 k = 0.4138 0.2212 0.9613 ( 2168 PWs) bands (ev): -24.6094 -24.6094 10.4420 10.4497 12.2960 12.2995 12.7927 12.7943 16.0247 16.0305 17.5773 17.5814 20.0901 20.1113 20.6692 20.7009 21.9474 21.9474 24.0139 24.0507 25.4718 25.5378 27.9108 27.9452 k = 0.4224 0.2258 0.9560 ( 2170 PWs) bands (ev): -24.6099 -24.6098 10.3976 10.4059 12.3285 12.3319 12.8192 12.8209 16.0127 16.0188 17.5437 17.5479 20.1162 20.1402 20.6685 20.7035 21.9360 21.9360 23.9643 24.0004 25.4928 25.5592 27.9493 27.9851 k = 0.4310 0.2304 0.9508 ( 2163 PWs) bands (ev): -24.6103 -24.6103 10.3530 10.3618 12.3622 12.3657 12.8442 12.8460 16.0012 16.0077 17.5142 17.5187 20.1385 20.1659 20.6602 20.6989 21.9240 21.9241 23.9224 23.9579 25.5177 25.5847 27.9898 28.0270 k = 0.4397 0.2350 0.9456 ( 2163 PWs) bands (ev): -24.6108 -24.6107 10.3081 10.3175 12.3972 12.4006 12.8678 12.8697 15.9905 15.9974 17.4891 17.4938 20.1570 20.1885 20.6442 20.6873 21.9116 21.9117 23.8882 23.9231 25.5466 25.6141 28.0323 28.0709 k = 0.4483 0.2396 0.9403 ( 2161 PWs) bands (ev): -24.6113 -24.6112 10.2631 10.2731 12.4331 12.4365 12.8897 12.8917 15.9805 15.9878 17.4683 17.4732 20.1713 20.2078 20.6206 20.6691 21.8987 21.8989 23.8614 23.8957 25.5794 25.6476 28.0770 28.1167 k = 0.4569 0.2443 0.9351 ( 2162 PWs) bands (ev): -24.6119 -24.6118 10.2180 10.2286 12.4701 12.4734 12.9099 12.9120 15.9714 15.9791 17.4520 17.4571 20.1809 20.2236 20.5903 20.6452 21.8855 21.8858 23.8413 23.8752 25.6163 25.6851 28.1237 28.1646 k = 0.4655 0.2489 0.9299 ( 2162 PWs) bands (ev): -24.6124 -24.6123 10.1729 10.1840 12.5078 12.5112 12.9283 12.9306 15.9633 15.9713 17.4401 17.4454 20.1851 20.2352 20.5543 20.6169 21.8720 21.8722 23.8275 23.8610 25.6572 25.7266 28.1726 28.2146 k = 0.4741 0.2535 0.9247 ( 2162 PWs) bands (ev): -24.6130 -24.6129 10.1277 10.1393 12.5464 12.5497 12.9449 12.9473 15.9560 15.9645 17.4326 17.4382 20.1829 20.2417 20.5145 20.5859 21.8582 21.8584 23.8191 23.8523 25.7022 25.7722 28.2236 28.2666 k = 0.4828 0.2581 0.9194 ( 2164 PWs) bands (ev): -24.6136 -24.6135 10.0826 10.0947 12.5855 12.5889 12.9597 12.9621 15.9498 15.9587 17.4296 17.4355 20.1731 20.2410 20.4734 20.5542 21.8442 21.8444 23.8155 23.8483 25.7511 25.8217 28.2767 28.3206 k = 0.4914 0.2627 0.9142 ( 2164 PWs) bands (ev): -24.6142 -24.6141 10.0374 10.0500 12.6253 12.6287 12.9725 12.9751 15.9446 15.9539 17.4310 17.4371 20.1544 20.2300 20.4353 20.5240 21.8301 21.8301 23.8159 23.8483 25.8040 25.8750 28.3321 28.3767 k = 0.5000 0.2673 0.9090 ( 2162 PWs) bands (ev): -24.6149 -24.6147 9.9923 10.0054 12.6657 12.6690 12.9835 12.9862 15.9404 15.9501 17.4368 17.4431 20.1261 20.2049 20.4047 20.4968 21.8158 21.8159 23.8196 23.8516 25.8605 25.9319 28.3896 28.4349 k = 0.5000 0.2673 0.9090 ( 2162 PWs) bands (ev): -24.6149 -24.6147 9.9923 10.0054 12.6657 12.6690 12.9835 12.9862 15.9404 15.9501 17.4368 17.4431 20.1261 20.2049 20.4047 20.4968 21.8158 21.8159 23.8196 23.8516 25.8605 25.9319 28.3896 28.4349 k = 0.5000 0.2673 0.8976 ( 2166 PWs) bands (ev): -24.6164 -24.6162 9.8939 9.9079 12.7538 12.7572 13.0061 13.0090 15.9318 15.9423 17.4546 17.4614 20.0522 20.1304 20.3505 20.4422 21.7840 21.7844 23.8314 23.8626 25.9906 26.0626 28.5194 28.5658 k = 0.5000 0.2673 0.8863 ( 2166 PWs) bands (ev): -24.6179 -24.6178 9.7949 9.8099 12.8420 12.8452 13.0303 13.0335 15.9215 15.9329 17.4735 17.4809 19.9756 20.0512 20.2996 20.3890 21.7511 21.7517 23.8446 23.8747 26.1270 26.1993 28.6535 28.7008 k = 0.5000 0.2673 0.8749 ( 2160 PWs) bands (ev): -24.6196 -24.6194 9.6955 9.7115 12.9299 12.9330 13.0560 13.0595 15.9096 15.9218 17.4935 17.5014 19.8970 19.9690 20.2513 20.3371 21.7171 21.7181 23.8592 23.8879 26.2696 26.3418 28.7912 28.8390 k = 0.5000 0.2673 0.8635 ( 2160 PWs) bands (ev): -24.6214 -24.6212 9.5958 9.6127 13.0176 13.0202 13.0834 13.0874 15.8959 15.9090 17.5146 17.5231 19.8171 19.8851 20.2052 20.2867 21.6824 21.6838 23.8750 23.9024 26.4180 26.4899 28.9318 28.9799 k = 0.5000 0.2673 0.8522 ( 2156 PWs) bands (ev): -24.6233 -24.6231 9.4958 9.5137 13.1028 13.1032 13.1143 13.1205 15.8803 15.8943 17.5367 17.5458 19.7367 19.8005 20.1607 20.2379 21.6472 21.6490 23.8921 23.9180 26.5719 26.6433 29.0747 29.1228 k = 0.5000 0.2673 0.8408 ( 2164 PWs) bands (ev): -24.6253 -24.6250 9.3956 9.4144 13.1414 13.1445 13.1928 13.1965 15.8628 15.8777 17.5598 17.5695 19.6564 19.7161 20.1179 20.1906 21.6115 21.6138 23.9105 23.9347 26.7310 26.8018 29.2193 29.2673 k = 0.5000 0.2673 0.8295 ( 2168 PWs) bands (ev): -24.6273 -24.6271 9.2952 9.3149 13.1732 13.1769 13.2791 13.2820 15.8434 15.8590 17.5838 17.5941 19.5766 19.6325 20.0765 20.1449 21.5757 21.5784 23.9301 23.9526 26.8951 26.9653 29.3651 29.4128 k = 0.5000 0.2673 0.8181 ( 2168 PWs) bands (ev): -24.6295 -24.6292 9.1947 9.2153 13.2063 13.2104 13.3647 13.3672 15.8220 15.8385 17.6088 17.6197 19.4981 19.5504 20.0367 20.1008 21.5399 21.5431 23.9508 23.9717 27.0641 27.1335 29.5116 29.5587 k = 0.5000 0.2673 0.8067 ( 2168 PWs) bands (ev): -24.6317 -24.6315 9.0941 9.1156 13.2407 13.2451 13.4495 13.4515 15.7988 15.8161 17.6345 17.6461 19.4212 19.4701 19.9983 20.0584 21.5043 21.5080 23.9727 23.9918 27.2377 27.3062 29.6583 29.7046 k = 0.5000 0.2673 0.7954 ( 2172 PWs) bands (ev): -24.6341 -24.6338 8.9935 9.0159 13.2765 13.2811 13.5332 13.5346 15.7740 15.7919 17.6611 17.6733 19.3463 19.3921 19.9613 20.0177 21.4691 21.4734 23.9956 24.0130 27.4158 27.4833 29.8046 29.8500 k = 0.5000 0.2673 0.7840 ( 2168 PWs) bands (ev): -24.6365 -24.6362 8.8930 8.9162 13.3136 13.3184 13.6156 13.6163 15.7477 15.7662 17.6883 17.7013 19.2737 19.3167 19.9259 19.9787 21.4345 21.4393 24.0195 24.0353 27.5982 27.6648 29.9502 29.9944 k = 0.5000 0.2673 0.7726 ( 2168 PWs) bands (ev): -24.6390 -24.6387 8.7925 8.8166 13.3519 13.3571 13.6962 13.6962 15.7203 15.7394 17.7163 17.7299 19.2038 19.2441 19.8920 19.9414 21.4006 21.4061 24.0444 24.0585 27.7848 27.8504 30.0946 30.1375 k = 0.5000 0.2673 0.7613 ( 2168 PWs) bands (ev): -24.6416 -24.6413 8.6922 8.7171 13.3915 13.3969 13.7739 13.7746 15.6924 15.7117 17.7448 17.7592 19.1367 19.1746 19.8596 19.9058 21.3677 21.3739 24.0701 24.0826 27.9754 28.0399 30.2373 30.2789 k = 0.5000 0.2673 0.7499 ( 2168 PWs) bands (ev): -24.6443 -24.6440 8.5920 8.6176 13.4323 13.4380 13.8487 13.8504 15.6643 15.6839 17.7739 17.7890 19.0726 19.1083 19.8287 19.8720 21.3360 21.3428 24.0966 24.1075 28.1699 28.2334 30.3782 30.4181 k = 0.5000 0.2673 0.7386 ( 2172 PWs) bands (ev): -24.6471 -24.6467 8.4920 8.5184 13.4742 13.4802 13.9201 13.9228 15.6370 15.6565 17.8034 17.8192 19.0116 19.0453 19.7994 19.8398 21.3056 21.3131 24.1238 24.1332 28.3682 28.4307 30.5167 30.5550 k = 0.5000 0.2673 0.7272 ( 2170 PWs) bands (ev): -24.6499 -24.6495 8.3923 8.4193 13.5173 13.5235 13.9872 13.9912 15.6112 15.6306 17.8333 17.8499 18.9540 18.9857 19.7715 19.8094 21.2767 21.2849 24.1516 24.1596 28.5702 28.6317 30.6526 30.6890 k = 0.5000 0.2673 0.7158 ( 2170 PWs) bands (ev): -24.6528 -24.6524 8.2928 8.3205 13.5615 13.5680 14.0490 14.0545 15.5882 15.6070 17.8635 17.8809 18.8997 18.9296 19.7451 19.7806 21.2494 21.2584 24.1800 24.1866 28.7757 28.8362 30.7857 30.8201 k = 0.5000 0.2673 0.7045 ( 2170 PWs) bands (ev): -24.6558 -24.6554 8.1936 8.2220 13.6066 13.6134 14.1044 14.1116 15.5690 15.5871 17.8940 17.9122 18.8488 18.8770 19.7202 19.7535 21.2240 21.2337 24.2089 24.2141 28.9847 29.0442 30.9156 30.9480 k = 0.5000 0.2673 0.6931 ( 2170 PWs) bands (ev): -24.6589 -24.6584 8.0949 8.1238 13.6528 13.6598 14.1522 14.1613 15.5552 15.5723 17.9246 17.9436 18.8012 18.8280 19.6967 19.7280 21.2006 21.2111 24.2380 24.2420 29.1971 29.2555 31.0421 31.0724 k = 0.5000 0.2673 0.6817 ( 2170 PWs) bands (ev): -24.6620 -24.6615 7.9965 8.0260 13.6998 13.7072 14.1910 14.2022 15.5482 15.5639 17.9553 17.9751 18.7571 18.7824 19.6746 19.7041 21.1794 21.1907 24.2674 24.2702 29.4127 29.4701 31.1652 31.1933 k = 0.5000 0.2673 0.6704 ( 2176 PWs) bands (ev): -24.6652 -24.6647 7.8985 7.9286 13.7477 13.7553 14.2198 14.2333 15.5492 15.5634 17.9861 18.0066 18.7163 18.7404 19.6538 19.6817 21.1605 21.1726 24.2970 24.2986 29.6314 29.6878 31.2846 31.3106 k = 0.5000 0.2673 0.6590 ( 2176 PWs) bands (ev): -24.6684 -24.6679 7.8010 7.8316 13.7964 13.8043 14.2376 14.2534 15.5593 15.5718 18.0168 18.0381 18.6789 18.7018 19.6343 19.6608 21.1442 21.1571 24.3266 24.3271 29.8531 29.9085 31.4003 31.4242 k = 0.5000 0.2673 0.6477 ( 2172 PWs) bands (ev): -24.6717 -24.6712 7.7041 7.7351 13.8458 13.8540 14.2441 14.2622 15.5791 15.5898 18.0473 18.0694 18.6448 18.6667 19.6161 19.6414 21.1304 21.1442 24.3556 24.3561 30.0777 30.1321 31.5123 31.5340 k = 0.5000 0.2673 0.6363 ( 2172 PWs) bands (ev): -24.6750 -24.6745 7.6077 7.6391 13.8958 13.9044 14.2393 14.2597 15.6085 15.6175 18.0777 18.1005 18.6141 18.6350 19.5990 19.6234 21.1195 21.1341 24.3840 24.3854 30.3050 30.3584 31.6206 31.6402 k = 0.5000 0.2673 0.6249 ( 2168 PWs) bands (ev): -24.6784 -24.6779 7.5119 7.5436 13.9464 13.9553 14.2241 14.2464 15.6469 15.6545 18.1078 18.1313 18.5865 18.6066 19.5832 19.6067 21.1115 21.1270 24.4121 24.4144 30.5349 30.5873 31.7253 31.7428 k = 0.5000 0.2673 0.6136 ( 2156 PWs) bands (ev): -24.6819 -24.6813 7.4167 7.4488 13.9975 14.0067 14.1995 14.2235 15.6934 15.6998 18.1376 18.1616 18.5622 18.5816 19.5685 19.5915 21.1066 21.1229 24.4399 24.4431 30.7671 30.8186 31.8265 31.8420 k = 0.5000 0.2673 0.6022 ( 2156 PWs) bands (ev): -24.6853 -24.6847 7.3223 7.3546 14.0487 14.0582 14.1669 14.1924 15.7469 15.7522 18.1670 18.1916 18.5411 18.5599 19.5549 19.5776 21.1048 21.1220 24.4673 24.4712 31.0015 31.0520 31.9243 31.9380 k = 0.5000 0.2673 0.5908 ( 2164 PWs) bands (ev): -24.6889 -24.6882 7.2285 7.2611 14.0985 14.1059 14.1317 14.1558 15.8061 15.8107 18.1960 18.2209 18.5232 18.5414 19.5425 19.5649 21.1064 21.1243 24.4941 24.4987 31.2378 31.2874 32.0190 32.0310 k = 0.5000 0.2673 0.5795 ( 2174 PWs) bands (ev): -24.6925 -24.6918 7.1355 7.1683 14.0789 14.1036 14.1582 14.1657 15.8699 15.8739 18.2246 18.2497 18.5086 18.5262 19.5310 19.5536 21.1113 21.1300 24.5203 24.5255 31.4755 31.5241 32.1111 32.1214 k = 0.5000 0.2673 0.5681 ( 2174 PWs) bands (ev): -24.6960 -24.6954 7.0434 7.0763 14.0293 14.0565 14.2083 14.2178 15.9372 15.9408 18.2527 18.2778 18.4971 18.5143 19.5206 19.5435 21.1197 21.1392 24.5457 24.5514 31.7139 31.7613 32.2014 32.2100 k = 0.5000 0.2673 0.5568 ( 2176 PWs) bands (ev): -24.6997 -24.6990 6.9521 6.9851 13.9756 14.0035 14.2605 14.2706 16.0071 16.0105 18.2804 18.3051 18.4890 18.5057 19.5113 19.5346 21.1317 21.1519 24.5702 24.5765 31.9512 31.9970 32.2919 32.2985 k = 0.5000 0.2673 0.5454 ( 2172 PWs) bands (ev): -24.7033 -24.7026 6.8617 6.8947 13.9189 13.9472 14.3130 14.3235 16.0787 16.0820 18.3076 18.3316 18.4843 18.5003 19.5029 19.5270 21.1473 21.1681 24.5938 24.6006 32.1810 32.2219 32.3916 32.3930 k = 0.5000 0.2673 0.5340 ( 2176 PWs) bands (ev): -24.7070 -24.7063 6.7723 6.8053 13.8599 13.8884 14.3656 14.3764 16.1514 16.1547 18.3343 18.3570 18.4832 18.4981 19.4956 19.5206 21.1665 21.1880 24.6164 24.6236 32.3732 32.3927 32.5237 32.5436 k = 0.5000 0.2673 0.5227 ( 2172 PWs) bands (ev): -24.7106 -24.7099 6.6838 6.7168 13.7993 13.8279 14.4181 14.4292 16.2244 16.2279 18.3606 18.3812 18.4858 18.4993 19.4893 19.5155 21.1894 21.2115 24.6380 24.6455 32.4899 32.4947 32.7278 32.7625 k = 0.5000 0.2673 0.5113 ( 2176 PWs) bands (ev): -24.7143 -24.7136 6.5964 6.6294 13.7375 13.7661 14.4703 14.4817 16.2974 16.3011 18.3864 18.4040 18.4924 18.5038 19.4840 19.5116 21.2160 21.2386 24.6583 24.6662 32.5754 32.5771 32.9609 32.9984 k = 0.5000 0.2673 0.4999 ( 2176 PWs) bands (ev): -24.7180 -24.7173 6.5101 6.5429 13.6750 13.7035 14.5223 14.5339 16.3697 16.3738 18.4119 18.4254 18.5030 18.5117 19.4797 19.5090 21.2463 21.2693 24.6774 24.6856 32.6523 32.6535 33.1995 33.2372 k = 0.5000 0.2673 0.4886 ( 2168 PWs) bands (ev): -24.7217 -24.7209 6.4249 6.4576 13.6121 13.6403 14.5738 14.5857 16.4410 16.4455 18.4371 18.4457 18.5174 18.5229 19.4765 19.5076 21.2802 21.3037 24.6952 24.7036 32.7254 32.7267 33.4378 33.4750 k = 0.5000 0.2673 0.4772 ( 2168 PWs) bands (ev): -24.7254 -24.7246 6.3409 6.3734 13.5490 13.5770 14.6248 14.6369 16.5108 16.5158 18.4619 18.4655 18.5351 18.5376 19.4744 19.5076 21.3179 21.3416 24.7117 24.7203 32.7959 32.7975 33.6729 33.7092 k = 0.5000 0.2673 0.4659 ( 2172 PWs) bands (ev): -24.7291 -24.7283 6.2581 6.2904 13.4861 13.5138 14.6752 14.6876 16.5789 16.5844 18.4856 18.4864 18.5552 18.5556 19.4735 19.5090 21.3591 21.3832 24.7268 24.7356 32.8645 32.8663 33.9016 33.9369 k = 0.5000 0.2673 0.4545 ( 2168 PWs) bands (ev): -24.7328 -24.7320 6.1766 6.2086 13.4234 13.4508 14.7249 14.7375 16.6449 16.6510 18.5067 18.5108 18.5770 18.5771 19.4737 19.5118 21.4040 21.4282 24.7405 24.7494 32.9313 32.9335 34.1195 34.1535 k = 0.5000 0.2673 0.4431 ( 2172 PWs) bands (ev): -24.7364 -24.7356 6.0964 6.1281 13.3614 13.3883 14.7738 14.7865 16.7085 16.7153 18.5292 18.5350 18.6004 18.6017 19.4751 19.5161 21.4523 21.4767 24.7527 24.7617 32.9967 32.9992 34.3168 34.3172 k = 0.5000 0.2673 0.4318 ( 2172 PWs) bands (ev): -24.7401 -24.7392 6.0176 6.0489 13.2999 13.3265 14.8219 14.8347 16.7696 16.7771 18.5534 18.5592 18.6248 18.6294 19.4779 19.5219 21.5041 21.5286 24.7635 24.7725 33.0606 33.0634 34.4160 34.4330 k = 0.5000 0.2673 0.4204 ( 2172 PWs) bands (ev): -24.7437 -24.7429 5.9402 5.9711 13.2393 13.2654 14.8689 14.8819 16.8280 16.8361 18.5792 18.5835 18.6503 18.6601 19.4821 19.5293 21.5593 21.5838 24.7727 24.7818 33.1232 33.1262 34.5139 34.5305 k = 0.5000 0.2673 0.4090 ( 2172 PWs) bands (ev): -24.7473 -24.7464 5.8642 5.8947 13.1797 13.2052 14.9149 14.9280 16.8835 16.8923 18.6064 18.6080 18.6769 18.6934 19.4879 19.5385 21.6179 21.6422 24.7805 24.7895 33.1843 33.1876 34.6101 34.6253 k = 0.5000 0.2673 0.3977 ( 2184 PWs) bands (ev): -24.7508 -24.7500 5.7898 5.8198 13.1211 13.1461 14.9598 14.9730 16.9361 16.9456 18.6326 18.6347 18.7047 18.7290 19.4953 19.5495 21.6796 21.7039 24.7869 24.7958 33.2441 33.2476 34.6974 34.7001 k = 0.5000 0.2673 0.3863 ( 2188 PWs) bands (ev): -24.7543 -24.7535 5.7169 5.7464 13.0636 13.0880 15.0035 15.0167 16.9858 16.9958 18.6576 18.6637 18.7339 18.7667 19.5046 19.5625 21.7446 21.7687 24.7917 24.8005 33.3023 33.3061 34.6743 34.7010 k = 0.5000 0.2673 0.3750 ( 2188 PWs) bands (ev): -24.7578 -24.7570 5.6455 5.6745 13.0073 13.0312 15.0460 15.0591 17.0325 17.0431 18.6828 18.6929 18.7647 18.8059 19.5160 19.5776 21.8126 21.8365 24.7950 24.8038 33.3589 33.3631 34.5072 34.5117 k = 0.5000 0.2673 0.3636 ( 2190 PWs) bands (ev): -24.7612 -24.7604 5.5758 5.6043 12.9523 12.9756 15.0871 15.1002 17.0763 17.0874 18.7084 18.7220 18.7969 18.8461 19.5297 19.5949 21.8837 21.9073 24.7970 24.8055 33.4137 33.4183 34.2809 34.2818 k = 0.5000 0.2673 0.3522 ( 2184 PWs) bands (ev): -24.7646 -24.7638 5.5078 5.5357 12.8986 12.9213 15.1268 15.1399 17.1173 17.1288 18.7342 18.7508 18.8304 18.8869 19.5459 19.6146 21.9577 21.9809 24.7975 24.8059 33.4662 33.4714 34.0456 34.0458 k = 0.5000 0.2673 0.3409 ( 2196 PWs) bands (ev): -24.7679 -24.7671 5.4415 5.4688 12.8463 12.8684 15.1651 15.1781 17.1556 17.1674 18.7604 18.7793 18.8649 18.9276 19.5650 19.6368 22.0345 22.0573 24.7966 24.8048 33.5160 33.5218 33.8071 33.8076 k = 0.5000 0.2673 0.3295 ( 2194 PWs) bands (ev): -24.7712 -24.7704 5.3770 5.4036 12.7955 12.8170 15.2020 15.2149 17.1913 17.2034 18.7869 18.8074 18.8997 18.9675 19.5872 19.6617 22.1140 22.1365 24.7943 24.8023 33.5577 33.5579 33.5727 33.5789 k = 0.5000 0.2673 0.3181 ( 2194 PWs) bands (ev): -24.7744 -24.7736 5.3143 5.3402 12.7462 12.7670 15.2374 15.2501 17.2246 17.2368 18.8136 18.8352 18.9345 19.0062 19.6127 19.6892 22.1963 22.2182 24.7908 24.7985 33.3272 33.3285 33.6034 33.6128 k = 0.5000 0.2673 0.3068 ( 2194 PWs) bands (ev): -24.7775 -24.7767 5.2534 5.2786 12.6985 12.7185 15.2713 15.2838 17.2556 17.2679 18.8406 18.8628 18.9686 19.0430 19.6419 19.7196 22.2811 22.3025 24.7860 24.7934 33.0887 33.0899 33.6360 33.6484 k = 0.5000 0.2673 0.2954 ( 2202 PWs) bands (ev): -24.7805 -24.7798 5.1943 5.2188 12.6522 12.6716 15.3037 15.3160 17.2845 17.2967 18.8677 18.8903 19.0018 19.0775 19.6747 19.7527 22.3683 22.3892 24.7800 24.7872 32.8513 32.8524 33.6551 33.6724 k = 0.5000 0.2673 0.2841 ( 2202 PWs) bands (ev): -24.7835 -24.7827 5.1372 5.1610 12.6076 12.6263 15.3345 15.3465 17.3114 17.3235 18.8950 18.9175 19.0336 19.1094 19.7111 19.7884 22.4579 22.4783 24.7729 24.7798 32.6158 32.6168 33.6526 33.6769 k = 0.5000 0.2673 0.2727 ( 2202 PWs) bands (ev): -24.7864 -24.7856 5.0821 5.1050 12.5646 12.5826 15.3638 15.3756 17.3364 17.3484 18.9224 18.9445 19.0638 19.1386 19.7509 19.8266 22.5498 22.5695 24.7648 24.7713 32.3824 32.3834 33.6226 33.6542 k = 0.5000 0.2673 0.2613 ( 2206 PWs) bands (ev): -24.7892 -24.7885 5.0289 5.0511 12.5233 12.5406 15.3916 15.4031 17.3597 17.3715 18.9497 18.9713 19.0923 19.1650 19.7938 19.8670 22.6437 22.6628 24.7557 24.7618 32.1517 32.1525 33.5688 33.6050 k = 0.5000 0.2673 0.2500 ( 2210 PWs) bands (ev): -24.7919 -24.7912 4.9778 4.9991 12.4836 12.5002 15.4179 15.4290 17.3815 17.3929 18.9768 18.9978 19.1191 19.1887 19.8393 19.9094 22.7396 22.7581 24.7457 24.7515 31.9239 31.9245 33.5003 33.5385 k = 0.5000 0.2673 0.2386 ( 2212 PWs) bands (ev): -24.7945 -24.7938 4.9287 4.9492 12.4457 12.4615 15.4427 15.4534 17.4017 17.4128 19.0038 19.0239 19.1440 19.2101 19.8868 19.9534 22.8374 22.8552 24.7349 24.7403 31.6993 31.6998 33.4247 33.4632 k = 0.5000 0.2673 0.2272 ( 2212 PWs) bands (ev): -24.7970 -24.7964 4.8817 4.9014 12.4094 12.4245 15.4660 15.4764 17.4206 17.4313 19.0305 19.0496 19.1672 19.2292 19.9359 19.9986 22.9367 22.9538 24.7234 24.7284 31.4783 31.4787 33.3464 33.3845 k = 0.5000 0.2673 0.2159 ( 2212 PWs) bands (ev): -24.7995 -24.7988 4.8368 4.8556 12.3748 12.3892 15.4879 15.4979 17.4382 17.4485 19.0567 19.0746 19.1887 19.2464 19.9860 20.0446 23.0375 23.0539 24.7113 24.7160 31.2613 31.2615 33.2678 33.3051 k = 0.5000 0.2673 0.2045 ( 2208 PWs) bands (ev): -24.8018 -24.8011 4.7941 4.8120 12.3420 12.3556 15.5084 15.5180 17.4546 17.4644 19.0824 19.0990 19.2087 19.2618 20.0366 20.0910 23.1394 23.1551 24.6988 24.7030 31.0485 31.0486 33.1903 33.2265 k = 0.5000 0.2673 0.1932 ( 2200 PWs) bands (ev): -24.8040 -24.8034 4.7536 4.7706 12.3109 12.3238 15.5276 15.5366 17.4699 17.4792 19.1074 19.1226 19.2273 19.2758 20.0871 20.1374 23.2423 23.2571 24.6859 24.6897 30.8403 30.8403 33.1149 33.1498 k = 0.5000 0.2673 0.1818 ( 2196 PWs) bands (ev): -24.8061 -24.8055 4.7152 4.7313 12.2816 12.2938 15.5453 15.5539 17.4841 17.4928 19.1316 19.1454 19.2446 19.2884 20.1371 20.1834 23.3457 23.3598 24.6727 24.6762 30.6370 30.6372 33.0421 33.0756 k = 0.5000 0.2673 0.1704 ( 2200 PWs) bands (ev): -24.8080 -24.8075 4.6791 4.6942 12.2540 12.2654 15.5618 15.5699 17.4972 17.5055 19.1550 19.1671 19.2607 19.2999 20.1861 20.2285 23.4493 23.4626 24.6595 24.6625 30.4393 30.4396 32.9723 33.0043 k = 0.5000 0.2673 0.1591 ( 2200 PWs) bands (ev): -24.8099 -24.8094 4.6453 4.6594 12.2282 12.2389 15.5770 15.5847 17.5094 17.5171 19.1773 19.1877 19.2757 19.3103 20.2338 20.2725 23.5527 23.5651 24.6463 24.6489 30.2475 30.2480 32.9060 32.9363 k = 0.5000 0.2673 0.1477 ( 2204 PWs) bands (ev): -24.8117 -24.8112 4.6137 4.6269 12.2042 12.2141 15.5910 15.5982 17.5207 17.5278 19.1984 19.2070 19.2897 19.3199 20.2799 20.3150 23.6554 23.6669 24.6333 24.6355 30.0624 30.0630 32.8433 32.8719 k = 0.5000 0.2673 0.1363 ( 2204 PWs) bands (ev): -24.8133 -24.8128 4.5844 4.5966 12.1820 12.1912 15.6038 15.6104 17.5310 17.5376 19.2183 19.2250 19.3028 19.3287 20.3240 20.3556 23.7567 23.7673 24.6206 24.6223 29.8844 29.8852 32.7846 32.8113 k = 0.5000 0.2673 0.1250 ( 2210 PWs) bands (ev): -24.8148 -24.8144 4.5574 4.5686 12.1616 12.1700 15.6155 15.6216 17.5404 17.5464 19.2368 19.2416 19.3151 19.3368 20.3657 20.3942 23.8560 23.8657 24.6084 24.6097 29.7144 29.7153 32.7300 32.7548 k = 0.5000 0.2673 0.1136 ( 2210 PWs) bands (ev): -24.8162 -24.8158 4.5327 4.5430 12.1429 12.1506 15.6260 15.6316 17.5490 17.5545 19.2538 19.2567 19.3266 19.3443 20.4049 20.4302 23.9525 23.9611 24.5968 24.5977 29.5532 29.5541 32.6797 32.7025 k = 0.5000 0.2673 0.1023 ( 2210 PWs) bands (ev): -24.8174 -24.8171 4.5104 4.5197 12.1261 12.1330 15.6355 15.6405 17.5568 17.5617 19.2692 19.2703 19.3372 19.3512 20.4413 20.4636 24.0452 24.0527 24.5861 24.5865 29.4017 29.4027 32.6338 32.6545 k = 0.5000 0.2673 0.0909 ( 2214 PWs) bands (ev): -24.8186 -24.8183 4.4905 4.4988 12.1111 12.1172 15.6439 15.6483 17.5637 17.5681 19.2823 19.2828 19.3470 19.3576 20.4745 20.4941 24.1330 24.1394 24.5763 24.5765 29.2609 29.2619 32.5926 32.6111 k = 0.5000 0.2673 0.0795 ( 2214 PWs) bands (ev): -24.8196 -24.8193 4.4729 4.4802 12.0978 12.1032 15.6512 15.6552 17.5699 17.5736 19.2928 19.2946 19.3559 19.3636 20.5045 20.5214 24.2147 24.2199 24.5675 24.5682 29.1321 29.1331 32.5560 32.5724 k = 0.5000 0.2673 0.0682 ( 2212 PWs) bands (ev): -24.8204 -24.8202 4.4578 4.4640 12.0864 12.0910 15.6576 15.6610 17.5752 17.5784 19.3019 19.3045 19.3638 19.3691 20.5311 20.5454 24.2888 24.2926 24.5602 24.5616 29.0165 29.0175 32.5243 32.5384 k = 0.5000 0.2673 0.0568 ( 2212 PWs) bands (ev): -24.8212 -24.8210 4.4450 4.4502 12.0768 12.0807 15.6630 15.6658 17.5797 17.5824 19.3095 19.3126 19.3707 19.3740 20.5540 20.5658 24.3535 24.3558 24.5551 24.5573 28.9155 28.9164 32.4975 32.5093 k = 0.5000 0.2673 0.0454 ( 2212 PWs) bands (ev): -24.8217 -24.8216 4.4346 4.4388 12.0690 12.0721 15.6675 15.6697 17.5835 17.5856 19.3158 19.3189 19.3764 19.3784 20.5732 20.5825 24.4068 24.4074 24.5531 24.5560 28.8304 28.8312 32.4757 32.4852 k = 0.5000 0.2673 0.0341 ( 2216 PWs) bands (ev): -24.8222 -24.8221 4.4267 4.4298 12.0631 12.0654 15.6710 15.6726 17.5865 17.5881 19.3208 19.3235 19.3809 19.3820 20.5884 20.5954 24.4453 24.4460 24.5553 24.5588 28.7625 28.7631 32.4589 32.4660 k = 0.5000 0.2673 0.0227 ( 2218 PWs) bands (ev): -24.8225 -24.8224 4.4211 4.4232 12.0589 12.0604 15.6735 15.6746 17.5887 17.5897 19.3245 19.3265 19.3842 19.3847 20.5997 20.6043 24.4687 24.4700 24.5620 24.5652 28.7131 28.7136 32.4472 32.4520 k = 0.5000 0.2673 0.0114 ( 2234 PWs) bands (ev): -24.8227 -24.8227 4.4180 4.4191 12.0565 12.0573 15.6752 15.6757 17.5901 17.5906 19.3269 19.3280 19.3862 19.3864 20.6070 20.6093 24.4802 24.4811 24.5700 24.5718 28.6831 28.6833 32.4407 32.4431 k = 0.5000 0.2673 0.0000 ( 2244 PWs) bands (ev): -24.8228 -24.8228 4.4173 4.4173 12.0560 12.0560 15.6759 15.6759 17.5907 17.5907 19.3281 19.3281 19.3869 19.3869 20.6102 20.6102 24.4838 24.4838 24.5740 24.5740 28.6731 28.6731 32.4393 32.4393 k = 0.0000 0.0000 1.0605 ( 2146 PWs) bands (ev): -24.6052 -24.6052 11.0211 11.0211 11.7116 11.7116 12.8370 12.8370 15.9746 15.9746 17.3207 17.3207 20.6449 20.6449 21.0233 21.0233 22.0467 22.0467 23.7792 23.7792 24.9616 24.9616 27.4262 27.4262 k = 0.0100 0.0053 1.0605 ( 2154 PWs) bands (ev): -24.6052 -24.6052 11.0209 11.0209 11.7124 11.7124 12.8354 12.8354 15.9755 15.9755 17.3237 17.3237 20.6436 20.6436 21.0159 21.0159 22.0467 22.0467 23.7876 23.7876 24.9616 24.9616 27.4266 27.4266 k = 0.0200 0.0107 1.0605 ( 2160 PWs) bands (ev): -24.6052 -24.6052 11.0203 11.0203 11.7150 11.7150 12.8307 12.8307 15.9781 15.9781 17.3327 17.3327 20.6398 20.6398 20.9939 20.9939 22.0467 22.0467 23.8127 23.8127 24.9614 24.9614 27.4278 27.4278 k = 0.0300 0.0160 1.0605 ( 2164 PWs) bands (ev): -24.6052 -24.6052 11.0195 11.0195 11.7191 11.7191 12.8229 12.8229 15.9824 15.9824 17.3477 17.3477 20.6334 20.6334 20.9582 20.9582 22.0468 22.0468 23.8537 23.8537 24.9611 24.9611 27.4298 27.4298 k = 0.0400 0.0214 1.0605 ( 2164 PWs) bands (ev): -24.6052 -24.6052 11.0182 11.0182 11.7250 11.7250 12.8121 12.8121 15.9884 15.9884 17.3685 17.3685 20.6245 20.6245 20.9100 20.9100 22.0468 22.0468 23.9094 23.9094 24.9607 24.9607 27.4325 27.4325 k = 0.0500 0.0267 1.0605 ( 2168 PWs) bands (ev): -24.6052 -24.6052 11.0167 11.0167 11.7325 11.7325 12.7984 12.7984 15.9959 15.9959 17.3951 17.3951 20.6132 20.6132 20.8508 20.8508 22.0468 22.0468 23.9784 23.9784 24.9602 24.9602 27.4359 27.4359 k = 0.0600 0.0321 1.0605 ( 2168 PWs) bands (ev): -24.6052 -24.6052 11.0149 11.0149 11.7417 11.7417 12.7819 12.7819 16.0049 16.0049 17.4273 17.4273 20.5992 20.5992 20.7824 20.7824 22.0469 22.0469 24.0592 24.0592 24.9596 24.9596 27.4400 27.4400 k = 0.0700 0.0374 1.0605 ( 2168 PWs) bands (ev): -24.6052 -24.6052 11.0128 11.0128 11.7525 11.7525 12.7628 12.7628 16.0153 16.0153 17.4649 17.4649 20.5819 20.5819 20.7072 20.7072 22.0469 22.0469 24.1504 24.1504 24.9590 24.9590 27.4446 27.4446 k = 0.0800 0.0428 1.0605 ( 2168 PWs) bands (ev): -24.6052 -24.6052 11.0105 11.0105 11.7649 11.7649 12.7413 12.7413 16.0268 16.0268 17.5079 17.5079 20.5571 20.5571 20.6309 20.6309 22.0469 22.0469 24.2506 24.2506 24.9583 24.9583 27.4496 27.4496 k = 0.0900 0.0481 1.0605 ( 2164 PWs) bands (ev): -24.6052 -24.6052 11.0081 11.0081 11.7789 11.7789 12.7175 12.7175 16.0394 16.0394 17.5559 17.5559 20.5049 20.5049 20.5749 20.5749 22.0469 22.0469 24.3586 24.3586 24.9576 24.9576 27.4551 27.4551 k = 0.1000 0.0535 1.0605 ( 2164 PWs) bands (ev): -24.6052 -24.6052 11.0054 11.0054 11.7944 11.7944 12.6916 12.6916 16.0528 16.0528 17.6088 17.6088 20.4200 20.4200 20.5458 20.5458 22.0469 22.0469 24.4733 24.4733 24.9570 24.9570 27.4608 27.4608 k = 0.1100 0.0588 1.0605 ( 2168 PWs) bands (ev): -24.6052 -24.6052 11.0027 11.0027 11.8116 11.8116 12.6639 12.6639 16.0668 16.0668 17.6663 17.6663 20.3241 20.3241 20.5231 20.5231 22.0469 22.0469 24.5937 24.5937 24.9565 24.9565 27.4668 27.4668 k = 0.1200 0.0642 1.0605 ( 2172 PWs) bands (ev): -24.6052 -24.6052 10.9999 10.9999 11.8302 11.8302 12.6346 12.6346 16.0813 16.0813 17.7283 17.7283 20.2235 20.2235 20.5016 20.5016 22.0469 22.0469 24.7185 24.7185 24.9567 24.9567 27.4728 27.4728 k = 0.1300 0.0695 1.0605 ( 2172 PWs) bands (ev): -24.6052 -24.6052 10.9971 10.9971 11.8503 11.8503 12.6038 12.6038 16.0959 16.0959 17.7945 17.7945 20.1200 20.1200 20.4805 20.4805 22.0469 22.0469 24.8454 24.8454 24.9593 24.9593 27.4789 27.4789 k = 0.1400 0.0748 1.0605 ( 2174 PWs) bands (ev): -24.6052 -24.6052 10.9944 10.9944 11.8718 11.8718 12.5717 12.5717 16.1106 16.1106 17.8647 17.8647 20.0145 20.0145 20.4597 20.4597 22.0469 22.0469 24.9373 24.9373 25.0008 25.0008 27.4848 27.4848 k = 0.1500 0.0802 1.0605 ( 2172 PWs) bands (ev): -24.6052 -24.6052 10.9917 10.9917 11.8947 11.8947 12.5386 12.5386 16.1250 16.1250 17.9387 17.9387 19.9076 19.9076 20.4396 20.4396 22.0469 22.0469 24.9469 24.9469 25.1281 25.1281 27.4906 27.4906 k = 0.1600 0.0855 1.0605 ( 2180 PWs) bands (ev): -24.6052 -24.6052 10.9891 10.9891 11.9190 11.9190 12.5047 12.5047 16.1389 16.1389 18.0163 18.0163 19.7998 19.7998 20.4202 20.4202 22.0469 22.0469 24.9478 24.9478 25.2671 25.2671 27.4961 27.4961 k = 0.1700 0.0909 1.0605 ( 2180 PWs) bands (ev): -24.6052 -24.6052 10.9866 10.9866 11.9446 11.9446 12.4701 12.4701 16.1521 16.1521 18.0972 18.0972 19.6916 19.6916 20.4019 20.4019 22.0469 22.0469 24.9477 24.9477 25.4098 25.4098 27.5012 27.5012 k = 0.1800 0.0962 1.0605 ( 2180 PWs) bands (ev): -24.6052 -24.6052 10.9844 10.9844 11.9714 11.9714 12.4350 12.4350 16.1644 16.1644 18.1812 18.1812 19.5832 19.5832 20.3851 20.3851 22.0469 22.0469 24.9474 24.9474 25.5553 25.5553 27.5060 27.5060 k = 0.1900 0.1016 1.0605 ( 2180 PWs) bands (ev): -24.6052 -24.6052 10.9824 10.9824 11.9995 11.9995 12.3996 12.3996 16.1755 16.1755 18.2682 18.2682 19.4750 19.4750 20.3698 20.3698 22.0469 22.0469 24.9469 24.9469 25.7031 25.7031 27.5100 27.5100 k = 0.2000 0.1069 1.0605 ( 2180 PWs) bands (ev): -24.6052 -24.6052 10.9806 10.9806 12.0286 12.0286 12.3640 12.3640 16.1853 16.1853 18.3580 18.3580 19.3672 19.3672 20.3565 20.3565 22.0469 22.0469 24.9465 24.9465 25.8528 25.8528 27.4152 27.4152 k = 0.2100 0.1123 1.0605 ( 2182 PWs) bands (ev): -24.6052 -24.6052 10.9792 10.9792 12.0588 12.0588 12.3285 12.3285 16.1935 16.1935 18.4502 18.4502 19.2601 19.2601 20.3452 20.3452 22.0469 22.0469 24.9462 24.9462 26.0042 26.0042 27.2569 27.2569 k = 0.2200 0.1176 1.0605 ( 2182 PWs) bands (ev): -24.6052 -24.6052 10.9780 10.9780 12.0900 12.0900 12.2931 12.2931 16.2001 16.2001 18.5449 18.5449 19.1539 19.1539 20.3362 20.3362 22.0469 22.0469 24.9459 24.9459 26.1571 26.1571 27.0986 27.0986 k = 0.2300 0.1230 1.0605 ( 2188 PWs) bands (ev): -24.6053 -24.6053 10.9771 10.9771 12.1220 12.1220 12.2580 12.2580 16.2049 16.2049 18.6416 18.6416 19.0490 19.0490 20.3297 20.3297 22.0469 22.0469 24.9456 24.9456 26.3111 26.3111 26.9407 26.9407 k = 0.2400 0.1283 1.0605 ( 2188 PWs) bands (ev): -24.6053 -24.6053 10.9766 10.9766 12.1548 12.1548 12.2234 12.2234 16.2078 16.2078 18.7398 18.7398 18.9457 18.9457 20.3258 20.3258 22.0469 22.0469 24.9455 24.9455 26.4655 26.4655 26.7840 26.7840 k = 0.2500 0.1336 1.0605 ( 2188 PWs) bands (ev): -24.6053 -24.6053 10.9764 10.9764 12.1839 12.1839 12.1936 12.1936 16.2088 16.2088 18.8253 18.8253 18.8586 18.8586 20.3244 20.3244 22.0469 22.0469 24.9455 24.9455 26.5973 26.5973 26.6514 26.6514 Writing output data file LiFeP.save init_run : 3.72s CPU 13.25s WALL ( 1 calls) electrons : 243.63s CPU 248.10s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.26s CPU 1.27s WALL ( 1 calls) Called by electrons: c_bands : 243.51s CPU 247.80s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.80s WALL ( 1 calls) v_h : 0.01s CPU 0.08s WALL ( 1 calls) v_xc : 0.10s CPU 0.50s WALL ( 1 calls) newd : 0.21s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 584 calls) cegterg : 215.95s CPU 217.35s WALL ( 763 calls) Called by sum_band: Called by *egterg: h_psi : 141.23s CPU 147.48s WALL ( 13380 calls) s_psi : 9.49s CPU 10.48s WALL ( 13380 calls) g_psi : 0.11s CPU 0.25s WALL ( 12033 calls) cdiaghg : 50.88s CPU 48.10s WALL ( 12617 calls) cegterg:over : 14.72s CPU 12.16s WALL ( 12033 calls) cegterg:upda : 0.71s CPU 2.42s WALL ( 12033 calls) cegterg:last : 0.86s CPU 1.80s WALL ( 2557 calls) Called by h_psi: h_psi:vloc : 122.11s CPU 128.27s WALL ( 13380 calls) h_psi:vnl : 19.06s CPU 18.93s WALL ( 13380 calls) add_vuspsi : 4.11s CPU 7.22s WALL ( 13380 calls) General routines calbec : 14.92s CPU 11.59s WALL ( 13380 calls) fft : 0.30s CPU 1.07s WALL ( 15 calls) fftw : 117.66s CPU 123.30s WALL ( 820560 calls) davcio : 0.02s CPU 0.76s WALL ( 1168 calls) Parallel routines fft_scatter : 71.78s CPU 75.47s WALL ( 820575 calls) PWSCF : 4m50.05s CPU 7m 7.12s WALL This run was terminated on: 13:46:29 18Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=