Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Si2Mo.save/ file Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 28 8 683 356 60 Max 43 29 9 686 366 62 Sum 1543 1015 313 24653 13013 2187 bravais-lattice index = 14 lattice parameter (alat) = 8.5705 a.u. unit-cell volume = 271.6091 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 307.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.570450 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.751080 celldm(5)= -0.751080 celldm(6)= 0.502159 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.502159 0.864775 0.000000 ) a(3) = ( -0.751080 -0.432388 0.498919 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.580682 1.002166 ) b(2) = ( 0.000000 1.156370 1.002166 ) b(3) = ( 0.000000 0.000000 2.004333 ) PseudoPot. # 1 for Mo read from file: /users/gautes/Pseudo/Mo.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 20113fa3d0a6ce27e798500ceb8a7ae4 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1229 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mo 14.00 95.94000 Mo( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 447 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 2) = ( 0.0000000 0.0000000 0.0143167), wk = 0.0022371 k( 3) = ( 0.0000000 0.0000000 0.0286333), wk = 0.0022371 k( 4) = ( 0.0000000 0.0000000 0.0429500), wk = 0.0022371 k( 5) = ( 0.0000000 0.0000000 0.0572667), wk = 0.0022371 k( 6) = ( 0.0000000 0.0000000 0.0715833), wk = 0.0022371 k( 7) = ( 0.0000000 0.0000000 0.0859000), wk = 0.0022371 k( 8) = ( 0.0000000 0.0000000 0.1002166), wk = 0.0022371 k( 9) = ( 0.0000000 0.0000000 0.1145333), wk = 0.0022371 k( 10) = ( 0.0000000 0.0000000 0.1288500), wk = 0.0022371 k( 11) = ( 0.0000000 0.0000000 0.1431666), wk = 0.0022371 k( 12) = ( 0.0000000 0.0000000 0.1574833), wk = 0.0022371 k( 13) = ( 0.0000000 0.0000000 0.1718000), wk = 0.0022371 k( 14) = ( 0.0000000 0.0000000 0.1861166), wk = 0.0022371 k( 15) = ( 0.0000000 0.0000000 0.2004333), wk = 0.0022371 k( 16) = ( 0.0000000 0.0000000 0.2147499), wk = 0.0022371 k( 17) = ( 0.0000000 0.0000000 0.2290666), wk = 0.0022371 k( 18) = ( 0.0000000 0.0000000 0.2433833), wk = 0.0022371 k( 19) = ( 0.0000000 0.0000000 0.2576999), wk = 0.0022371 k( 20) = ( 0.0000000 0.0000000 0.2720166), wk = 0.0022371 k( 21) = ( 0.0000000 0.0000000 0.2863332), wk = 0.0022371 k( 22) = ( 0.0000000 0.0000000 0.3006499), wk = 0.0022371 k( 23) = ( 0.0000000 0.0000000 0.3149666), wk = 0.0022371 k( 24) = ( 0.0000000 0.0000000 0.3292832), wk = 0.0022371 k( 25) = ( 0.0000000 0.0000000 0.3435999), wk = 0.0022371 k( 26) = ( 0.0000000 0.0000000 0.3579166), wk = 0.0022371 k( 27) = ( 0.0000000 0.0000000 0.3722332), wk = 0.0022371 k( 28) = ( 0.0000000 0.0000000 0.3865499), wk = 0.0022371 k( 29) = ( 0.0000000 0.0000000 0.4008665), wk = 0.0022371 k( 30) = ( 0.0000000 0.0000000 0.4151832), wk = 0.0022371 k( 31) = ( 0.0000000 0.0000000 0.4294999), wk = 0.0022371 k( 32) = ( 0.0000000 0.0000000 0.4438165), wk = 0.0022371 k( 33) = ( 0.0000000 0.0000000 0.4581332), wk = 0.0022371 k( 34) = ( 0.0000000 0.0000000 0.4724499), wk = 0.0022371 k( 35) = ( 0.0000000 0.0000000 0.4867665), wk = 0.0022371 k( 36) = ( 0.0000000 0.0000000 0.5010832), wk = 0.0022371 k( 37) = ( 0.0000000 0.0000000 0.5153998), wk = 0.0022371 k( 38) = ( 0.0000000 0.0000000 0.5297165), wk = 0.0022371 k( 39) = ( 0.0000000 0.0000000 0.5440332), wk = 0.0022371 k( 40) = ( 0.0000000 0.0000000 0.5583498), wk = 0.0022371 k( 41) = ( 0.0000000 0.0000000 0.5726665), wk = 0.0022371 k( 42) = ( 0.0000000 0.0000000 0.5869831), wk = 0.0022371 k( 43) = ( 0.0000000 0.0000000 0.6012998), wk = 0.0022371 k( 44) = ( 0.0000000 0.0000000 0.6156165), wk = 0.0022371 k( 45) = ( 0.0000000 0.0000000 0.6299331), wk = 0.0022371 k( 46) = ( 0.0000000 0.0000000 0.6442498), wk = 0.0022371 k( 47) = ( 0.0000000 0.0000000 0.6585665), wk = 0.0022371 k( 48) = ( 0.0000000 0.0000000 0.6728831), wk = 0.0022371 k( 49) = ( 0.0000000 0.0000000 0.6871998), wk = 0.0022371 k( 50) = ( 0.0000000 0.0000000 0.7015165), wk = 0.0022371 k( 51) = ( 0.0000000 0.0000000 0.7158331), wk = 0.0022371 k( 52) = ( 0.0000000 0.0000000 0.7301498), wk = 0.0022371 k( 53) = ( 0.0000000 0.0000000 0.7444664), wk = 0.0022371 k( 54) = ( 0.0000000 0.0000000 0.7587831), wk = 0.0022371 k( 55) = ( 0.0000000 0.0000000 0.7730998), wk = 0.0022371 k( 56) = ( 0.0000000 0.0000000 0.7874164), wk = 0.0022371 k( 57) = ( 0.0000000 0.0000000 0.8017331), wk = 0.0022371 k( 58) = ( 0.0000000 0.0000000 0.8160498), wk = 0.0022371 k( 59) = ( 0.0000000 0.0000000 0.8303664), wk = 0.0022371 k( 60) = ( 0.0000000 0.0000000 0.8446831), wk = 0.0022371 k( 61) = ( 0.0000000 0.0000000 0.8589997), wk = 0.0022371 k( 62) = ( 0.0000000 0.0000000 0.8733164), wk = 0.0022371 k( 63) = ( 0.0000000 0.0000000 0.8876331), wk = 0.0022371 k( 64) = ( 0.0000000 0.0000000 0.9019497), wk = 0.0022371 k( 65) = ( 0.0000000 0.0000000 0.9162664), wk = 0.0022371 k( 66) = ( 0.0000000 0.0000000 0.9305830), wk = 0.0022371 k( 67) = ( 0.0000000 0.0000000 0.9448997), wk = 0.0022371 k( 68) = ( 0.0000000 0.0000000 0.9592164), wk = 0.0022371 k( 69) = ( 0.0000000 0.0000000 0.9735330), wk = 0.0022371 k( 70) = ( 0.0000000 0.0000000 0.9878497), wk = 0.0022371 k( 71) = ( 0.0000000 0.0000000 1.0021664), wk = 0.0022371 k( 72) = ( 0.0000000 0.0000000 1.0021664), wk = 0.0022371 k( 73) = ( -0.0069045 0.0119935 1.0021664), wk = 0.0022371 k( 74) = ( -0.0138090 0.0239870 1.0021664), wk = 0.0022371 k( 75) = ( -0.0207135 0.0359805 1.0021664), wk = 0.0022371 k( 76) = ( -0.0276181 0.0479740 1.0021664), wk = 0.0022371 k( 77) = ( -0.0345226 0.0599675 1.0021664), wk = 0.0022371 k( 78) = ( -0.0414271 0.0719610 1.0021664), wk = 0.0022371 k( 79) = ( -0.0483316 0.0839545 1.0021664), wk = 0.0022371 k( 80) = ( -0.0552361 0.0959480 1.0021664), wk = 0.0022371 k( 81) = ( -0.0621406 0.1079415 1.0021664), wk = 0.0022371 k( 82) = ( -0.0690451 0.1199350 1.0021664), wk = 0.0022371 k( 83) = ( -0.0759497 0.1319285 1.0021664), wk = 0.0022371 k( 84) = ( -0.0828542 0.1439220 1.0021664), wk = 0.0022371 k( 85) = ( -0.0828542 0.1439220 1.0021664), wk = 0.0022371 k( 86) = ( -0.0879413 0.1527586 0.9919700), wk = 0.0022371 k( 87) = ( -0.0930285 0.1615953 0.9817737), wk = 0.0022371 k( 88) = ( -0.0981156 0.1704319 0.9715774), wk = 0.0022371 k( 89) = ( -0.1032027 0.1792685 0.9613810), wk = 0.0022371 k( 90) = ( -0.1082899 0.1881052 0.9511847), wk = 0.0022371 k( 91) = ( -0.1133770 0.1969418 0.9409884), wk = 0.0022371 k( 92) = ( -0.1184642 0.2057784 0.9307921), wk = 0.0022371 k( 93) = ( -0.1235513 0.2146151 0.9205957), wk = 0.0022371 k( 94) = ( -0.1286385 0.2234517 0.9103994), wk = 0.0022371 k( 95) = ( -0.1337256 0.2322883 0.9002031), wk = 0.0022371 k( 96) = ( -0.1388128 0.2411250 0.8900067), wk = 0.0022371 k( 97) = ( -0.1438999 0.2499616 0.8798104), wk = 0.0022371 k( 98) = ( -0.1489871 0.2587983 0.8696141), wk = 0.0022371 k( 99) = ( -0.1540742 0.2676349 0.8594177), wk = 0.0022371 k( 100) = ( -0.1591613 0.2764715 0.8492214), wk = 0.0022371 k( 101) = ( -0.1642485 0.2853082 0.8390251), wk = 0.0022371 k( 102) = ( -0.1693356 0.2941448 0.8288288), wk = 0.0022371 k( 103) = ( -0.1744228 0.3029814 0.8186324), wk = 0.0022371 k( 104) = ( -0.1795099 0.3118180 0.8084361), wk = 0.0022371 k( 105) = ( -0.1845971 0.3206547 0.7982398), wk = 0.0022371 k( 106) = ( -0.1896842 0.3294913 0.7880434), wk = 0.0022371 k( 107) = ( -0.1947713 0.3383279 0.7778471), wk = 0.0022371 k( 108) = ( -0.1998585 0.3471646 0.7676508), wk = 0.0022371 k( 109) = ( -0.2049456 0.3560012 0.7574545), wk = 0.0022371 k( 110) = ( -0.2100328 0.3648379 0.7472581), wk = 0.0022371 k( 111) = ( -0.2151199 0.3736745 0.7370618), wk = 0.0022371 k( 112) = ( -0.2202071 0.3825111 0.7268654), wk = 0.0022371 k( 113) = ( -0.2252942 0.3913478 0.7166691), wk = 0.0022371 k( 114) = ( -0.2303814 0.4001844 0.7064728), wk = 0.0022371 k( 115) = ( -0.2354685 0.4090210 0.6962765), wk = 0.0022371 k( 116) = ( -0.2405556 0.4178577 0.6860801), wk = 0.0022371 k( 117) = ( -0.2456428 0.4266943 0.6758838), wk = 0.0022371 k( 118) = ( -0.2507299 0.4355309 0.6656875), wk = 0.0022371 k( 119) = ( -0.2558171 0.4443676 0.6554911), wk = 0.0022371 k( 120) = ( -0.2609042 0.4532042 0.6452948), wk = 0.0022371 k( 121) = ( -0.2659914 0.4620408 0.6350985), wk = 0.0022371 k( 122) = ( -0.2710785 0.4708775 0.6249022), wk = 0.0022371 k( 123) = ( -0.2761656 0.4797141 0.6147058), wk = 0.0022371 k( 124) = ( -0.2812528 0.4885507 0.6045095), wk = 0.0022371 k( 125) = ( -0.2863399 0.4973874 0.5943132), wk = 0.0022371 k( 126) = ( -0.2914271 0.5062240 0.5841168), wk = 0.0022371 k( 127) = ( -0.2914271 0.5062240 0.5841168), wk = 0.0022371 k( 128) = ( -0.2864025 0.4974960 0.5740459), wk = 0.0022371 k( 129) = ( -0.2813779 0.4887680 0.5639749), wk = 0.0022371 k( 130) = ( -0.2763533 0.4800400 0.5539039), wk = 0.0022371 k( 131) = ( -0.2713287 0.4713120 0.5438329), wk = 0.0022371 k( 132) = ( -0.2663041 0.4625840 0.5337619), wk = 0.0022371 k( 133) = ( -0.2612795 0.4538560 0.5236910), wk = 0.0022371 k( 134) = ( -0.2562548 0.4451280 0.5136200), wk = 0.0022371 k( 135) = ( -0.2512302 0.4364000 0.5035490), wk = 0.0022371 k( 136) = ( -0.2462056 0.4276720 0.4934780), wk = 0.0022371 k( 137) = ( -0.2411810 0.4189440 0.4834071), wk = 0.0022371 k( 138) = ( -0.2361564 0.4102160 0.4733361), wk = 0.0022371 k( 139) = ( -0.2311318 0.4014880 0.4632651), wk = 0.0022371 k( 140) = ( -0.2261072 0.3927600 0.4531941), wk = 0.0022371 k( 141) = ( -0.2210826 0.3840320 0.4431231), wk = 0.0022371 k( 142) = ( -0.2160580 0.3753040 0.4330521), wk = 0.0022371 k( 143) = ( -0.2110334 0.3665760 0.4229812), wk = 0.0022371 k( 144) = ( -0.2060088 0.3578480 0.4129102), wk = 0.0022371 k( 145) = ( -0.2009842 0.3491200 0.4028392), wk = 0.0022371 k( 146) = ( -0.1959596 0.3403920 0.3927682), wk = 0.0022371 k( 147) = ( -0.1909350 0.3316640 0.3826972), wk = 0.0022371 k( 148) = ( -0.1859104 0.3229360 0.3726263), wk = 0.0022371 k( 149) = ( -0.1808858 0.3142080 0.3625553), wk = 0.0022371 k( 150) = ( -0.1758612 0.3054800 0.3524843), wk = 0.0022371 k( 151) = ( -0.1708366 0.2967520 0.3424133), wk = 0.0022371 k( 152) = ( -0.1658120 0.2880240 0.3323423), wk = 0.0022371 k( 153) = ( -0.1607874 0.2792960 0.3222714), wk = 0.0022371 k( 154) = ( -0.1557628 0.2705680 0.3122004), wk = 0.0022371 k( 155) = ( -0.1507381 0.2618400 0.3021294), wk = 0.0022371 k( 156) = ( -0.1457135 0.2531120 0.2920584), wk = 0.0022371 k( 157) = ( -0.1406889 0.2443840 0.2819874), wk = 0.0022371 k( 158) = ( -0.1356643 0.2356560 0.2719165), wk = 0.0022371 k( 159) = ( -0.1306397 0.2269280 0.2618455), wk = 0.0022371 k( 160) = ( -0.1256151 0.2182000 0.2517745), wk = 0.0022371 k( 161) = ( -0.1205905 0.2094720 0.2417035), wk = 0.0022371 k( 162) = ( -0.1155659 0.2007440 0.2316325), wk = 0.0022371 k( 163) = ( -0.1105413 0.1920160 0.2215616), wk = 0.0022371 k( 164) = ( -0.1055167 0.1832880 0.2114906), wk = 0.0022371 k( 165) = ( -0.1004921 0.1745600 0.2014196), wk = 0.0022371 k( 166) = ( -0.0954675 0.1658320 0.1913486), wk = 0.0022371 k( 167) = ( -0.0904429 0.1571040 0.1812776), wk = 0.0022371 k( 168) = ( -0.0854183 0.1483760 0.1712067), wk = 0.0022371 k( 169) = ( -0.0803937 0.1396480 0.1611357), wk = 0.0022371 k( 170) = ( -0.0753691 0.1309200 0.1510647), wk = 0.0022371 k( 171) = ( -0.0703445 0.1221920 0.1409937), wk = 0.0022371 k( 172) = ( -0.0653199 0.1134640 0.1309227), wk = 0.0022371 k( 173) = ( -0.0602953 0.1047360 0.1208518), wk = 0.0022371 k( 174) = ( -0.0552706 0.0960080 0.1107808), wk = 0.0022371 k( 175) = ( -0.0502461 0.0872800 0.1007098), wk = 0.0022371 k( 176) = ( -0.0452214 0.0785520 0.0906388), wk = 0.0022371 k( 177) = ( -0.0401968 0.0698240 0.0805678), wk = 0.0022371 k( 178) = ( -0.0351722 0.0610960 0.0704969), wk = 0.0022371 k( 179) = ( -0.0301476 0.0523680 0.0604259), wk = 0.0022371 k( 180) = ( -0.0251230 0.0436400 0.0503549), wk = 0.0022371 k( 181) = ( -0.0200984 0.0349120 0.0402839), wk = 0.0022371 k( 182) = ( -0.0150738 0.0261840 0.0302129), wk = 0.0022371 k( 183) = ( -0.0100492 0.0174560 0.0201420), wk = 0.0022371 k( 184) = ( -0.0050246 0.0087280 0.0100710), wk = 0.0022371 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 187) = ( 0.0125000 0.0071961 0.0000000), wk = 0.0022371 k( 188) = ( 0.0250000 0.0143922 0.0000000), wk = 0.0022371 k( 189) = ( 0.0375000 0.0215883 0.0000000), wk = 0.0022371 k( 190) = ( 0.0500000 0.0287844 0.0000000), wk = 0.0022371 k( 191) = ( 0.0625000 0.0359805 0.0000000), wk = 0.0022371 k( 192) = ( 0.0750000 0.0431766 0.0000000), wk = 0.0022371 k( 193) = ( 0.0875000 0.0503727 0.0000000), wk = 0.0022371 k( 194) = ( 0.1000000 0.0575688 0.0000000), wk = 0.0022371 k( 195) = ( 0.1125000 0.0647649 0.0000000), wk = 0.0022371 k( 196) = ( 0.1250000 0.0719610 0.0000000), wk = 0.0022371 k( 197) = ( 0.1375000 0.0791571 0.0000000), wk = 0.0022371 k( 198) = ( 0.1500000 0.0863532 0.0000000), wk = 0.0022371 k( 199) = ( 0.1625000 0.0935493 0.0000000), wk = 0.0022371 k( 200) = ( 0.1750000 0.1007454 0.0000000), wk = 0.0022371 k( 201) = ( 0.1875000 0.1079415 0.0000000), wk = 0.0022371 k( 202) = ( 0.2000000 0.1151376 0.0000000), wk = 0.0022371 k( 203) = ( 0.2125000 0.1223337 0.0000000), wk = 0.0022371 k( 204) = ( 0.2250000 0.1295298 0.0000000), wk = 0.0022371 k( 205) = ( 0.2375000 0.1367259 0.0000000), wk = 0.0022371 k( 206) = ( 0.2500000 0.1439220 0.0000000), wk = 0.0022371 k( 207) = ( 0.2625000 0.1511181 0.0000000), wk = 0.0022371 k( 208) = ( 0.2750000 0.1583142 0.0000000), wk = 0.0022371 k( 209) = ( 0.2875000 0.1655103 0.0000000), wk = 0.0022371 k( 210) = ( 0.3000000 0.1727064 0.0000000), wk = 0.0022371 k( 211) = ( 0.3125000 0.1799025 0.0000000), wk = 0.0022371 k( 212) = ( 0.3250000 0.1870986 0.0000000), wk = 0.0022371 k( 213) = ( 0.3375000 0.1942947 0.0000000), wk = 0.0022371 k( 214) = ( 0.3500000 0.2014908 0.0000000), wk = 0.0022371 k( 215) = ( 0.3625000 0.2086869 0.0000000), wk = 0.0022371 k( 216) = ( 0.3750000 0.2158830 0.0000000), wk = 0.0022371 k( 217) = ( 0.3875000 0.2230791 0.0000000), wk = 0.0022371 k( 218) = ( 0.4000000 0.2302752 0.0000000), wk = 0.0022371 k( 219) = ( 0.4125000 0.2374713 0.0000000), wk = 0.0022371 k( 220) = ( 0.4250000 0.2446674 0.0000000), wk = 0.0022371 k( 221) = ( 0.4375000 0.2518635 0.0000000), wk = 0.0022371 k( 222) = ( 0.4500000 0.2590596 0.0000000), wk = 0.0022371 k( 223) = ( 0.4625000 0.2662557 0.0000000), wk = 0.0022371 k( 224) = ( 0.4750000 0.2734518 0.0000000), wk = 0.0022371 k( 225) = ( 0.4875000 0.2806479 0.0000000), wk = 0.0022371 k( 226) = ( 0.5000000 0.2878440 0.0000000), wk = 0.0022371 k( 227) = ( 0.5000000 0.2878440 0.0000000), wk = 0.0022371 k( 228) = ( 0.4949129 0.2966806 0.0101963), wk = 0.0022371 k( 229) = ( 0.4898257 0.3055173 0.0203927), wk = 0.0022371 k( 230) = ( 0.4847386 0.3143539 0.0305890), wk = 0.0022371 k( 231) = ( 0.4796514 0.3231905 0.0407853), wk = 0.0022371 k( 232) = ( 0.4745643 0.3320272 0.0509816), wk = 0.0022371 k( 233) = ( 0.4694771 0.3408638 0.0611780), wk = 0.0022371 k( 234) = ( 0.4643900 0.3497004 0.0713743), wk = 0.0022371 k( 235) = ( 0.4593028 0.3585371 0.0815706), wk = 0.0022371 k( 236) = ( 0.4542157 0.3673737 0.0917670), wk = 0.0022371 k( 237) = ( 0.4491286 0.3762103 0.1019633), wk = 0.0022371 k( 238) = ( 0.4440414 0.3850470 0.1121596), wk = 0.0022371 k( 239) = ( 0.4389543 0.3938836 0.1223560), wk = 0.0022371 k( 240) = ( 0.4338671 0.4027203 0.1325523), wk = 0.0022371 k( 241) = ( 0.4287800 0.4115569 0.1427486), wk = 0.0022371 k( 242) = ( 0.4236928 0.4203935 0.1529449), wk = 0.0022371 k( 243) = ( 0.4186057 0.4292302 0.1631413), wk = 0.0022371 k( 244) = ( 0.4135185 0.4380668 0.1733376), wk = 0.0022371 k( 245) = ( 0.4084314 0.4469034 0.1835339), wk = 0.0022371 k( 246) = ( 0.4033443 0.4557400 0.1937303), wk = 0.0022371 k( 247) = ( 0.3982571 0.4645767 0.2039266), wk = 0.0022371 k( 248) = ( 0.3931700 0.4734133 0.2141229), wk = 0.0022371 k( 249) = ( 0.3880828 0.4822499 0.2243192), wk = 0.0022371 k( 250) = ( 0.3829957 0.4910866 0.2345156), wk = 0.0022371 k( 251) = ( 0.3779085 0.4999232 0.2447119), wk = 0.0022371 k( 252) = ( 0.3728214 0.5087599 0.2549082), wk = 0.0022371 k( 253) = ( 0.3677342 0.5175965 0.2651046), wk = 0.0022371 k( 254) = ( 0.3626471 0.5264331 0.2753009), wk = 0.0022371 k( 255) = ( 0.3575600 0.5352698 0.2854972), wk = 0.0022371 k( 256) = ( 0.3524728 0.5441064 0.2956936), wk = 0.0022371 k( 257) = ( 0.3473857 0.5529430 0.3058899), wk = 0.0022371 k( 258) = ( 0.3422985 0.5617797 0.3160862), wk = 0.0022371 k( 259) = ( 0.3372114 0.5706163 0.3262826), wk = 0.0022371 k( 260) = ( 0.3321242 0.5794529 0.3364789), wk = 0.0022371 k( 261) = ( 0.3270371 0.5882896 0.3466752), wk = 0.0022371 k( 262) = ( 0.3219499 0.5971262 0.3568715), wk = 0.0022371 k( 263) = ( 0.3168628 0.6059628 0.3670679), wk = 0.0022371 k( 264) = ( 0.3117757 0.6147995 0.3772642), wk = 0.0022371 k( 265) = ( 0.3066885 0.6236361 0.3874605), wk = 0.0022371 k( 266) = ( 0.3016014 0.6324727 0.3976569), wk = 0.0022371 k( 267) = ( 0.2965142 0.6413094 0.4078532), wk = 0.0022371 k( 268) = ( 0.2914271 0.6501460 0.4180495), wk = 0.0022371 k( 269) = ( 0.2914271 0.6501460 0.4180495), wk = 0.0022371 k( 270) = ( 0.2781804 0.6468750 0.4218238), wk = 0.0022371 k( 271) = ( 0.2649337 0.6436041 0.4255980), wk = 0.0022371 k( 272) = ( 0.2516870 0.6403331 0.4293723), wk = 0.0022371 k( 273) = ( 0.2384403 0.6370622 0.4331466), wk = 0.0022371 k( 274) = ( 0.2251937 0.6337912 0.4369208), wk = 0.0022371 k( 275) = ( 0.2119470 0.6305203 0.4406951), wk = 0.0022371 k( 276) = ( 0.1987003 0.6272493 0.4444693), wk = 0.0022371 k( 277) = ( 0.1854536 0.6239784 0.4482436), wk = 0.0022371 k( 278) = ( 0.1722069 0.6207074 0.4520178), wk = 0.0022371 k( 279) = ( 0.1589602 0.6174364 0.4557921), wk = 0.0022371 k( 280) = ( 0.1457135 0.6141655 0.4595664), wk = 0.0022371 k( 281) = ( 0.1324669 0.6108945 0.4633406), wk = 0.0022371 k( 282) = ( 0.1192202 0.6076236 0.4671149), wk = 0.0022371 k( 283) = ( 0.1059735 0.6043526 0.4708891), wk = 0.0022371 k( 284) = ( 0.0927268 0.6010817 0.4746634), wk = 0.0022371 k( 285) = ( 0.0794801 0.5978107 0.4784376), wk = 0.0022371 k( 286) = ( 0.0662334 0.5945398 0.4822119), wk = 0.0022371 k( 287) = ( 0.0529867 0.5912688 0.4859862), wk = 0.0022371 k( 288) = ( 0.0397401 0.5879979 0.4897604), wk = 0.0022371 k( 289) = ( 0.0264934 0.5847269 0.4935347), wk = 0.0022371 k( 290) = ( 0.0132467 0.5814560 0.4973089), wk = 0.0022371 k( 291) = ( 0.0000000 0.5781850 0.5010832), wk = 0.0022371 k( 292) = ( 0.0000000 0.5781850 0.5010832), wk = 0.0022371 k( 293) = ( 0.0050000 0.5694997 0.5111048), wk = 0.0022371 k( 294) = ( 0.0100000 0.5608145 0.5211265), wk = 0.0022371 k( 295) = ( 0.0150000 0.5521292 0.5311482), wk = 0.0022371 k( 296) = ( 0.0200000 0.5434440 0.5411698), wk = 0.0022371 k( 297) = ( 0.0250000 0.5347587 0.5511915), wk = 0.0022371 k( 298) = ( 0.0300000 0.5260734 0.5612132), wk = 0.0022371 k( 299) = ( 0.0350000 0.5173882 0.5712348), wk = 0.0022371 k( 300) = ( 0.0400000 0.5087029 0.5812565), wk = 0.0022371 k( 301) = ( 0.0450000 0.5000177 0.5912782), wk = 0.0022371 k( 302) = ( 0.0500000 0.4913324 0.6012998), wk = 0.0022371 k( 303) = ( 0.0550000 0.4826471 0.6113215), wk = 0.0022371 k( 304) = ( 0.0600000 0.4739619 0.6213431), wk = 0.0022371 k( 305) = ( 0.0650000 0.4652766 0.6313648), wk = 0.0022371 k( 306) = ( 0.0700000 0.4565914 0.6413865), wk = 0.0022371 k( 307) = ( 0.0750000 0.4479061 0.6514081), wk = 0.0022371 k( 308) = ( 0.0800000 0.4392208 0.6614298), wk = 0.0022371 k( 309) = ( 0.0850000 0.4305356 0.6714515), wk = 0.0022371 k( 310) = ( 0.0900000 0.4218503 0.6814731), wk = 0.0022371 k( 311) = ( 0.0950000 0.4131651 0.6914948), wk = 0.0022371 k( 312) = ( 0.1000000 0.4044798 0.7015165), wk = 0.0022371 k( 313) = ( 0.1050000 0.3957945 0.7115381), wk = 0.0022371 k( 314) = ( 0.1100000 0.3871093 0.7215598), wk = 0.0022371 k( 315) = ( 0.1150000 0.3784240 0.7315814), wk = 0.0022371 k( 316) = ( 0.1200000 0.3697388 0.7416031), wk = 0.0022371 k( 317) = ( 0.1250000 0.3610535 0.7516248), wk = 0.0022371 k( 318) = ( 0.1300000 0.3523682 0.7616464), wk = 0.0022371 k( 319) = ( 0.1350000 0.3436830 0.7716681), wk = 0.0022371 k( 320) = ( 0.1400000 0.3349977 0.7816898), wk = 0.0022371 k( 321) = ( 0.1450000 0.3263125 0.7917114), wk = 0.0022371 k( 322) = ( 0.1500000 0.3176272 0.8017331), wk = 0.0022371 k( 323) = ( 0.1550000 0.3089419 0.8117548), wk = 0.0022371 k( 324) = ( 0.1600000 0.3002567 0.8217764), wk = 0.0022371 k( 325) = ( 0.1650000 0.2915714 0.8317981), wk = 0.0022371 k( 326) = ( 0.1700000 0.2828862 0.8418197), wk = 0.0022371 k( 327) = ( 0.1750000 0.2742009 0.8518414), wk = 0.0022371 k( 328) = ( 0.1800000 0.2655156 0.8618631), wk = 0.0022371 k( 329) = ( 0.1850000 0.2568304 0.8718847), wk = 0.0022371 k( 330) = ( 0.1900000 0.2481451 0.8819064), wk = 0.0022371 k( 331) = ( 0.1950000 0.2394599 0.8919281), wk = 0.0022371 k( 332) = ( 0.2000000 0.2307746 0.9019497), wk = 0.0022371 k( 333) = ( 0.2050000 0.2220893 0.9119714), wk = 0.0022371 k( 334) = ( 0.2100000 0.2134041 0.9219931), wk = 0.0022371 k( 335) = ( 0.2150000 0.2047188 0.9320147), wk = 0.0022371 k( 336) = ( 0.2200000 0.1960336 0.9420364), wk = 0.0022371 k( 337) = ( 0.2250000 0.1873483 0.9520580), wk = 0.0022371 k( 338) = ( 0.2300000 0.1786630 0.9620797), wk = 0.0022371 k( 339) = ( 0.2350000 0.1699778 0.9721014), wk = 0.0022371 k( 340) = ( 0.2400000 0.1612925 0.9821230), wk = 0.0022371 k( 341) = ( 0.2450000 0.1526073 0.9921447), wk = 0.0022371 k( 342) = ( 0.2500000 0.1439220 1.0021664), wk = 0.0022371 k( 343) = ( 0.2500000 0.1439220 1.0021664), wk = 0.0022371 k( 344) = ( 0.2604167 0.1499188 0.9952469), wk = 0.0022371 k( 345) = ( 0.2708333 0.1559155 0.9883274), wk = 0.0022371 k( 346) = ( 0.2812500 0.1619123 0.9814079), wk = 0.0022371 k( 347) = ( 0.2916667 0.1679090 0.9744885), wk = 0.0022371 k( 348) = ( 0.3020833 0.1739057 0.9675690), wk = 0.0022371 k( 349) = ( 0.3125000 0.1799025 0.9606495), wk = 0.0022371 k( 350) = ( 0.3229167 0.1858993 0.9537301), wk = 0.0022371 k( 351) = ( 0.3333333 0.1918960 0.9468106), wk = 0.0022371 k( 352) = ( 0.3437500 0.1978928 0.9398911), wk = 0.0022371 k( 353) = ( 0.3541667 0.2038895 0.9329716), wk = 0.0022371 k( 354) = ( 0.3645833 0.2098862 0.9260522), wk = 0.0022371 k( 355) = ( 0.3750000 0.2158830 0.9191327), wk = 0.0022371 k( 356) = ( 0.3854167 0.2218798 0.9122132), wk = 0.0022371 k( 357) = ( 0.3958333 0.2278765 0.9052938), wk = 0.0022371 k( 358) = ( 0.4062500 0.2338733 0.8983743), wk = 0.0022371 k( 359) = ( 0.4166667 0.2398700 0.8914548), wk = 0.0022371 k( 360) = ( 0.4270833 0.2458667 0.8845353), wk = 0.0022371 k( 361) = ( 0.4375000 0.2518635 0.8776159), wk = 0.0022371 k( 362) = ( 0.4479167 0.2578603 0.8706964), wk = 0.0022371 k( 363) = ( 0.4583333 0.2638570 0.8637769), wk = 0.0022371 k( 364) = ( 0.4687500 0.2698538 0.8568574), wk = 0.0022371 k( 365) = ( 0.4791667 0.2758505 0.8499380), wk = 0.0022371 k( 366) = ( 0.4895833 0.2818473 0.8430185), wk = 0.0022371 k( 367) = ( 0.5000000 0.2878440 0.8360990), wk = 0.0022371 k( 368) = ( 0.5000000 0.2878440 0.8360990), wk = 0.0022371 k( 369) = ( 0.5000000 0.2878440 0.8216835), wk = 0.0022371 k( 370) = ( 0.5000000 0.2878440 0.8072680), wk = 0.0022371 k( 371) = ( 0.5000000 0.2878440 0.7928525), wk = 0.0022371 k( 372) = ( 0.5000000 0.2878440 0.7784370), wk = 0.0022371 k( 373) = ( 0.5000000 0.2878440 0.7640215), wk = 0.0022371 k( 374) = ( 0.5000000 0.2878440 0.7496060), wk = 0.0022371 k( 375) = ( 0.5000000 0.2878440 0.7351905), wk = 0.0022371 k( 376) = ( 0.5000000 0.2878440 0.7207750), wk = 0.0022371 k( 377) = ( 0.5000000 0.2878440 0.7063595), wk = 0.0022371 k( 378) = ( 0.5000000 0.2878440 0.6919440), wk = 0.0022371 k( 379) = ( 0.5000000 0.2878440 0.6775285), wk = 0.0022371 k( 380) = ( 0.5000000 0.2878440 0.6631130), wk = 0.0022371 k( 381) = ( 0.5000000 0.2878440 0.6486975), wk = 0.0022371 k( 382) = ( 0.5000000 0.2878440 0.6342820), wk = 0.0022371 k( 383) = ( 0.5000000 0.2878440 0.6198665), wk = 0.0022371 k( 384) = ( 0.5000000 0.2878440 0.6054510), wk = 0.0022371 k( 385) = ( 0.5000000 0.2878440 0.5910355), wk = 0.0022371 k( 386) = ( 0.5000000 0.2878440 0.5766200), wk = 0.0022371 k( 387) = ( 0.5000000 0.2878440 0.5622045), wk = 0.0022371 k( 388) = ( 0.5000000 0.2878440 0.5477890), wk = 0.0022371 k( 389) = ( 0.5000000 0.2878440 0.5333735), wk = 0.0022371 k( 390) = ( 0.5000000 0.2878440 0.5189580), wk = 0.0022371 k( 391) = ( 0.5000000 0.2878440 0.5045425), wk = 0.0022371 k( 392) = ( 0.5000000 0.2878440 0.4901270), wk = 0.0022371 k( 393) = ( 0.5000000 0.2878440 0.4757115), wk = 0.0022371 k( 394) = ( 0.5000000 0.2878440 0.4612960), wk = 0.0022371 k( 395) = ( 0.5000000 0.2878440 0.4468805), wk = 0.0022371 k( 396) = ( 0.5000000 0.2878440 0.4324650), wk = 0.0022371 k( 397) = ( 0.5000000 0.2878440 0.4180495), wk = 0.0022371 k( 398) = ( 0.5000000 0.2878440 0.4036340), wk = 0.0022371 k( 399) = ( 0.5000000 0.2878440 0.3892185), wk = 0.0022371 k( 400) = ( 0.5000000 0.2878440 0.3748030), wk = 0.0022371 k( 401) = ( 0.5000000 0.2878440 0.3603875), wk = 0.0022371 k( 402) = ( 0.5000000 0.2878440 0.3459720), wk = 0.0022371 k( 403) = ( 0.5000000 0.2878440 0.3315565), wk = 0.0022371 k( 404) = ( 0.5000000 0.2878440 0.3171410), wk = 0.0022371 k( 405) = ( 0.5000000 0.2878440 0.3027255), wk = 0.0022371 k( 406) = ( 0.5000000 0.2878440 0.2883100), wk = 0.0022371 k( 407) = ( 0.5000000 0.2878440 0.2738945), wk = 0.0022371 k( 408) = ( 0.5000000 0.2878440 0.2594790), wk = 0.0022371 k( 409) = ( 0.5000000 0.2878440 0.2450635), wk = 0.0022371 k( 410) = ( 0.5000000 0.2878440 0.2306480), wk = 0.0022371 k( 411) = ( 0.5000000 0.2878440 0.2162325), wk = 0.0022371 k( 412) = ( 0.5000000 0.2878440 0.2018170), wk = 0.0022371 k( 413) = ( 0.5000000 0.2878440 0.1874015), wk = 0.0022371 k( 414) = ( 0.5000000 0.2878440 0.1729860), wk = 0.0022371 k( 415) = ( 0.5000000 0.2878440 0.1585705), wk = 0.0022371 k( 416) = ( 0.5000000 0.2878440 0.1441550), wk = 0.0022371 k( 417) = ( 0.5000000 0.2878440 0.1297395), wk = 0.0022371 k( 418) = ( 0.5000000 0.2878440 0.1153240), wk = 0.0022371 k( 419) = ( 0.5000000 0.2878440 0.1009085), wk = 0.0022371 k( 420) = ( 0.5000000 0.2878440 0.0864930), wk = 0.0022371 k( 421) = ( 0.5000000 0.2878440 0.0720775), wk = 0.0022371 k( 422) = ( 0.5000000 0.2878440 0.0576620), wk = 0.0022371 k( 423) = ( 0.5000000 0.2878440 0.0432465), wk = 0.0022371 k( 424) = ( 0.5000000 0.2878440 0.0288310), wk = 0.0022371 k( 425) = ( 0.5000000 0.2878440 0.0144155), wk = 0.0022371 k( 426) = ( 0.5000000 0.2878440 0.0000000), wk = 0.0022371 k( 427) = ( 0.0000000 0.0000000 1.0021664), wk = 0.0022371 k( 428) = ( 0.0125000 0.0071961 1.0021664), wk = 0.0022371 k( 429) = ( 0.0250000 0.0143922 1.0021664), wk = 0.0022371 k( 430) = ( 0.0375000 0.0215883 1.0021664), wk = 0.0022371 k( 431) = ( 0.0500000 0.0287844 1.0021664), wk = 0.0022371 k( 432) = ( 0.0625000 0.0359805 1.0021664), wk = 0.0022371 k( 433) = ( 0.0750000 0.0431766 1.0021664), wk = 0.0022371 k( 434) = ( 0.0875000 0.0503727 1.0021664), wk = 0.0022371 k( 435) = ( 0.1000000 0.0575688 1.0021664), wk = 0.0022371 k( 436) = ( 0.1125000 0.0647649 1.0021664), wk = 0.0022371 k( 437) = ( 0.1250000 0.0719610 1.0021664), wk = 0.0022371 k( 438) = ( 0.1375000 0.0791571 1.0021664), wk = 0.0022371 k( 439) = ( 0.1500000 0.0863532 1.0021664), wk = 0.0022371 k( 440) = ( 0.1625000 0.0935493 1.0021664), wk = 0.0022371 k( 441) = ( 0.1750000 0.1007454 1.0021664), wk = 0.0022371 k( 442) = ( 0.1875000 0.1079415 1.0021664), wk = 0.0022371 k( 443) = ( 0.2000000 0.1151376 1.0021664), wk = 0.0022371 k( 444) = ( 0.2125000 0.1223337 1.0021664), wk = 0.0022371 k( 445) = ( 0.2250000 0.1295298 1.0021664), wk = 0.0022371 k( 446) = ( 0.2375000 0.1367259 1.0021664), wk = 0.0022371 k( 447) = ( 0.2500000 0.1439220 1.0021664), wk = 0.0022371 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 2) = ( 0.0000000 0.0000000 0.0071429), wk = 0.0022371 k( 3) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0022371 k( 4) = ( 0.0000000 0.0000000 0.0214286), wk = 0.0022371 k( 5) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0022371 k( 6) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0022371 k( 7) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0022371 k( 8) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0022371 k( 9) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0022371 k( 10) = ( 0.0000000 0.0000000 0.0642857), wk = 0.0022371 k( 11) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022371 k( 12) = ( 0.0000000 0.0000000 0.0785714), wk = 0.0022371 k( 13) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0022371 k( 14) = ( 0.0000000 0.0000000 0.0928571), wk = 0.0022371 k( 15) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0022371 k( 16) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0022371 k( 17) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0022371 k( 18) = ( 0.0000000 0.0000000 0.1214286), wk = 0.0022371 k( 19) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0022371 k( 20) = ( 0.0000000 0.0000000 0.1357143), wk = 0.0022371 k( 21) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022371 k( 22) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0022371 k( 23) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0022371 k( 24) = ( 0.0000000 0.0000000 0.1642857), wk = 0.0022371 k( 25) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0022371 k( 26) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0022371 k( 27) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0022371 k( 28) = ( 0.0000000 0.0000000 0.1928571), wk = 0.0022371 k( 29) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0022371 k( 30) = ( 0.0000000 0.0000000 0.2071429), wk = 0.0022371 k( 31) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022371 k( 32) = ( 0.0000000 0.0000000 0.2214286), wk = 0.0022371 k( 33) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0022371 k( 34) = ( 0.0000000 0.0000000 0.2357143), wk = 0.0022371 k( 35) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0022371 k( 36) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022371 k( 37) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0022371 k( 38) = ( 0.0000000 0.0000000 0.2642857), wk = 0.0022371 k( 39) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0022371 k( 40) = ( 0.0000000 0.0000000 0.2785714), wk = 0.0022371 k( 41) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022371 k( 42) = ( 0.0000000 0.0000000 0.2928571), wk = 0.0022371 k( 43) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0022371 k( 44) = ( 0.0000000 0.0000000 0.3071429), wk = 0.0022371 k( 45) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0022371 k( 46) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0022371 k( 47) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0022371 k( 48) = ( 0.0000000 0.0000000 0.3357143), wk = 0.0022371 k( 49) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0022371 k( 50) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0022371 k( 51) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022371 k( 52) = ( 0.0000000 0.0000000 0.3642857), wk = 0.0022371 k( 53) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0022371 k( 54) = ( 0.0000000 0.0000000 0.3785714), wk = 0.0022371 k( 55) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0022371 k( 56) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0022371 k( 57) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0022371 k( 58) = ( 0.0000000 0.0000000 0.4071429), wk = 0.0022371 k( 59) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0022371 k( 60) = ( 0.0000000 0.0000000 0.4214286), wk = 0.0022371 k( 61) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022371 k( 62) = ( 0.0000000 0.0000000 0.4357143), wk = 0.0022371 k( 63) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0022371 k( 64) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0022371 k( 65) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0022371 k( 66) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0022371 k( 67) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0022371 k( 68) = ( 0.0000000 0.0000000 0.4785714), wk = 0.0022371 k( 69) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0022371 k( 70) = ( 0.0000000 0.0000000 0.4928571), wk = 0.0022371 k( 71) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022371 k( 72) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022371 k( 73) = ( -0.0069045 0.0069045 0.5000000), wk = 0.0022371 k( 74) = ( -0.0138090 0.0138090 0.5000000), wk = 0.0022371 k( 75) = ( -0.0207135 0.0207135 0.5000000), wk = 0.0022371 k( 76) = ( -0.0276181 0.0276181 0.5000000), wk = 0.0022371 k( 77) = ( -0.0345226 0.0345226 0.5000000), wk = 0.0022371 k( 78) = ( -0.0414271 0.0414271 0.5000000), wk = 0.0022371 k( 79) = ( -0.0483316 0.0483316 0.5000000), wk = 0.0022371 k( 80) = ( -0.0552361 0.0552361 0.5000000), wk = 0.0022371 k( 81) = ( -0.0621406 0.0621406 0.5000000), wk = 0.0022371 k( 82) = ( -0.0690451 0.0690451 0.5000000), wk = 0.0022371 k( 83) = ( -0.0759497 0.0759497 0.5000000), wk = 0.0022371 k( 84) = ( -0.0828542 0.0828542 0.5000000), wk = 0.0022371 k( 85) = ( -0.0828542 0.0828542 0.5000000), wk = 0.0022371 k( 86) = ( -0.0879413 0.0879413 0.4949129), wk = 0.0022371 k( 87) = ( -0.0930285 0.0930285 0.4898257), wk = 0.0022371 k( 88) = ( -0.0981156 0.0981156 0.4847386), wk = 0.0022371 k( 89) = ( -0.1032027 0.1032027 0.4796514), wk = 0.0022371 k( 90) = ( -0.1082899 0.1082899 0.4745643), wk = 0.0022371 k( 91) = ( -0.1133770 0.1133770 0.4694771), wk = 0.0022371 k( 92) = ( -0.1184642 0.1184642 0.4643900), wk = 0.0022371 k( 93) = ( -0.1235513 0.1235513 0.4593028), wk = 0.0022371 k( 94) = ( -0.1286385 0.1286385 0.4542157), wk = 0.0022371 k( 95) = ( -0.1337256 0.1337256 0.4491286), wk = 0.0022371 k( 96) = ( -0.1388128 0.1388128 0.4440414), wk = 0.0022371 k( 97) = ( -0.1438999 0.1438999 0.4389543), wk = 0.0022371 k( 98) = ( -0.1489871 0.1489870 0.4338671), wk = 0.0022371 k( 99) = ( -0.1540742 0.1540742 0.4287800), wk = 0.0022371 k( 100) = ( -0.1591613 0.1591613 0.4236928), wk = 0.0022371 k( 101) = ( -0.1642485 0.1642485 0.4186057), wk = 0.0022371 k( 102) = ( -0.1693356 0.1693356 0.4135185), wk = 0.0022371 k( 103) = ( -0.1744228 0.1744228 0.4084314), wk = 0.0022371 k( 104) = ( -0.1795099 0.1795099 0.4033443), wk = 0.0022371 k( 105) = ( -0.1845971 0.1845970 0.3982571), wk = 0.0022371 k( 106) = ( -0.1896842 0.1896842 0.3931700), wk = 0.0022371 k( 107) = ( -0.1947713 0.1947713 0.3880828), wk = 0.0022371 k( 108) = ( -0.1998585 0.1998585 0.3829957), wk = 0.0022371 k( 109) = ( -0.2049456 0.2049456 0.3779085), wk = 0.0022371 k( 110) = ( -0.2100328 0.2100328 0.3728214), wk = 0.0022371 k( 111) = ( -0.2151199 0.2151199 0.3677342), wk = 0.0022371 k( 112) = ( -0.2202071 0.2202071 0.3626471), wk = 0.0022371 k( 113) = ( -0.2252942 0.2252942 0.3575600), wk = 0.0022371 k( 114) = ( -0.2303814 0.2303813 0.3524728), wk = 0.0022371 k( 115) = ( -0.2354685 0.2354685 0.3473857), wk = 0.0022371 k( 116) = ( -0.2405556 0.2405556 0.3422985), wk = 0.0022371 k( 117) = ( -0.2456428 0.2456428 0.3372114), wk = 0.0022371 k( 118) = ( -0.2507299 0.2507299 0.3321242), wk = 0.0022371 k( 119) = ( -0.2558171 0.2558171 0.3270371), wk = 0.0022371 k( 120) = ( -0.2609042 0.2609042 0.3219499), wk = 0.0022371 k( 121) = ( -0.2659914 0.2659914 0.3168628), wk = 0.0022371 k( 122) = ( -0.2710785 0.2710785 0.3117757), wk = 0.0022371 k( 123) = ( -0.2761656 0.2761656 0.3066885), wk = 0.0022371 k( 124) = ( -0.2812528 0.2812528 0.3016014), wk = 0.0022371 k( 125) = ( -0.2863399 0.2863399 0.2965142), wk = 0.0022371 k( 126) = ( -0.2914271 0.2914271 0.2914271), wk = 0.0022371 k( 127) = ( -0.2914271 0.2914271 0.2914271), wk = 0.0022371 k( 128) = ( -0.2864025 0.2864025 0.2864025), wk = 0.0022371 k( 129) = ( -0.2813779 0.2813779 0.2813779), wk = 0.0022371 k( 130) = ( -0.2763533 0.2763533 0.2763533), wk = 0.0022371 k( 131) = ( -0.2713287 0.2713287 0.2713287), wk = 0.0022371 k( 132) = ( -0.2663041 0.2663041 0.2663041), wk = 0.0022371 k( 133) = ( -0.2612795 0.2612795 0.2612795), wk = 0.0022371 k( 134) = ( -0.2562548 0.2562548 0.2562548), wk = 0.0022371 k( 135) = ( -0.2512302 0.2512302 0.2512302), wk = 0.0022371 k( 136) = ( -0.2462056 0.2462056 0.2462056), wk = 0.0022371 k( 137) = ( -0.2411810 0.2411810 0.2411810), wk = 0.0022371 k( 138) = ( -0.2361564 0.2361564 0.2361564), wk = 0.0022371 k( 139) = ( -0.2311318 0.2311318 0.2311318), wk = 0.0022371 k( 140) = ( -0.2261072 0.2261072 0.2261072), wk = 0.0022371 k( 141) = ( -0.2210826 0.2210826 0.2210826), wk = 0.0022371 k( 142) = ( -0.2160580 0.2160580 0.2160580), wk = 0.0022371 k( 143) = ( -0.2110334 0.2110334 0.2110334), wk = 0.0022371 k( 144) = ( -0.2060088 0.2060088 0.2060088), wk = 0.0022371 k( 145) = ( -0.2009842 0.2009842 0.2009842), wk = 0.0022371 k( 146) = ( -0.1959596 0.1959596 0.1959596), wk = 0.0022371 k( 147) = ( -0.1909350 0.1909350 0.1909350), wk = 0.0022371 k( 148) = ( -0.1859104 0.1859104 0.1859104), wk = 0.0022371 k( 149) = ( -0.1808858 0.1808858 0.1808858), wk = 0.0022371 k( 150) = ( -0.1758612 0.1758612 0.1758612), wk = 0.0022371 k( 151) = ( -0.1708366 0.1708366 0.1708366), wk = 0.0022371 k( 152) = ( -0.1658120 0.1658120 0.1658120), wk = 0.0022371 k( 153) = ( -0.1607874 0.1607874 0.1607874), wk = 0.0022371 k( 154) = ( -0.1557628 0.1557627 0.1557628), wk = 0.0022371 k( 155) = ( -0.1507381 0.1507381 0.1507381), wk = 0.0022371 k( 156) = ( -0.1457135 0.1457135 0.1457135), wk = 0.0022371 k( 157) = ( -0.1406889 0.1406889 0.1406889), wk = 0.0022371 k( 158) = ( -0.1356643 0.1356643 0.1356643), wk = 0.0022371 k( 159) = ( -0.1306397 0.1306397 0.1306397), wk = 0.0022371 k( 160) = ( -0.1256151 0.1256151 0.1256151), wk = 0.0022371 k( 161) = ( -0.1205905 0.1205905 0.1205905), wk = 0.0022371 k( 162) = ( -0.1155659 0.1155659 0.1155659), wk = 0.0022371 k( 163) = ( -0.1105413 0.1105413 0.1105413), wk = 0.0022371 k( 164) = ( -0.1055167 0.1055167 0.1055167), wk = 0.0022371 k( 165) = ( -0.1004921 0.1004921 0.1004921), wk = 0.0022371 k( 166) = ( -0.0954675 0.0954675 0.0954675), wk = 0.0022371 k( 167) = ( -0.0904429 0.0904429 0.0904429), wk = 0.0022371 k( 168) = ( -0.0854183 0.0854183 0.0854183), wk = 0.0022371 k( 169) = ( -0.0803937 0.0803937 0.0803937), wk = 0.0022371 k( 170) = ( -0.0753691 0.0753691 0.0753691), wk = 0.0022371 k( 171) = ( -0.0703445 0.0703445 0.0703445), wk = 0.0022371 k( 172) = ( -0.0653199 0.0653199 0.0653199), wk = 0.0022371 k( 173) = ( -0.0602953 0.0602953 0.0602953), wk = 0.0022371 k( 174) = ( -0.0552706 0.0552706 0.0552706), wk = 0.0022371 k( 175) = ( -0.0502461 0.0502460 0.0502461), wk = 0.0022371 k( 176) = ( -0.0452214 0.0452214 0.0452214), wk = 0.0022371 k( 177) = ( -0.0401968 0.0401968 0.0401968), wk = 0.0022371 k( 178) = ( -0.0351722 0.0351722 0.0351722), wk = 0.0022371 k( 179) = ( -0.0301476 0.0301476 0.0301476), wk = 0.0022371 k( 180) = ( -0.0251230 0.0251230 0.0251230), wk = 0.0022371 k( 181) = ( -0.0200984 0.0200984 0.0200984), wk = 0.0022371 k( 182) = ( -0.0150738 0.0150738 0.0150738), wk = 0.0022371 k( 183) = ( -0.0100492 0.0100492 0.0100492), wk = 0.0022371 k( 184) = ( -0.0050246 0.0050246 0.0050246), wk = 0.0022371 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 187) = ( 0.0125000 0.0125000 -0.0125000), wk = 0.0022371 k( 188) = ( 0.0250000 0.0250000 -0.0250000), wk = 0.0022371 k( 189) = ( 0.0375000 0.0375000 -0.0375000), wk = 0.0022371 k( 190) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0022371 k( 191) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0022371 k( 192) = ( 0.0750000 0.0750000 -0.0750000), wk = 0.0022371 k( 193) = ( 0.0875000 0.0875000 -0.0875000), wk = 0.0022371 k( 194) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0022371 k( 195) = ( 0.1125000 0.1125000 -0.1125000), wk = 0.0022371 k( 196) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0022371 k( 197) = ( 0.1375000 0.1375000 -0.1375000), wk = 0.0022371 k( 198) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0022371 k( 199) = ( 0.1625000 0.1625000 -0.1625000), wk = 0.0022371 k( 200) = ( 0.1750000 0.1750000 -0.1750000), wk = 0.0022371 k( 201) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0022371 k( 202) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0022371 k( 203) = ( 0.2125000 0.2125000 -0.2125000), wk = 0.0022371 k( 204) = ( 0.2250000 0.2250000 -0.2250000), wk = 0.0022371 k( 205) = ( 0.2375000 0.2375000 -0.2375000), wk = 0.0022371 k( 206) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0022371 k( 207) = ( 0.2625000 0.2625000 -0.2625000), wk = 0.0022371 k( 208) = ( 0.2750000 0.2750000 -0.2750000), wk = 0.0022371 k( 209) = ( 0.2875000 0.2875000 -0.2875000), wk = 0.0022371 k( 210) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0022371 k( 211) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0022371 k( 212) = ( 0.3250000 0.3250000 -0.3250000), wk = 0.0022371 k( 213) = ( 0.3375000 0.3375000 -0.3375000), wk = 0.0022371 k( 214) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0022371 k( 215) = ( 0.3625000 0.3625000 -0.3625000), wk = 0.0022371 k( 216) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0022371 k( 217) = ( 0.3875000 0.3875000 -0.3875000), wk = 0.0022371 k( 218) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0022371 k( 219) = ( 0.4125000 0.4125000 -0.4125000), wk = 0.0022371 k( 220) = ( 0.4250000 0.4250000 -0.4250000), wk = 0.0022371 k( 221) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0022371 k( 222) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0022371 k( 223) = ( 0.4625000 0.4625000 -0.4625000), wk = 0.0022371 k( 224) = ( 0.4750000 0.4750000 -0.4750000), wk = 0.0022371 k( 225) = ( 0.4875000 0.4875000 -0.4875000), wk = 0.0022371 k( 226) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022371 k( 227) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022371 k( 228) = ( 0.4949129 0.5050871 -0.4949129), wk = 0.0022371 k( 229) = ( 0.4898257 0.5101743 -0.4898257), wk = 0.0022371 k( 230) = ( 0.4847386 0.5152614 -0.4847386), wk = 0.0022371 k( 231) = ( 0.4796514 0.5203486 -0.4796514), wk = 0.0022371 k( 232) = ( 0.4745643 0.5254357 -0.4745643), wk = 0.0022371 k( 233) = ( 0.4694771 0.5305229 -0.4694771), wk = 0.0022371 k( 234) = ( 0.4643900 0.5356100 -0.4643900), wk = 0.0022371 k( 235) = ( 0.4593028 0.5406971 -0.4593028), wk = 0.0022371 k( 236) = ( 0.4542157 0.5457843 -0.4542157), wk = 0.0022371 k( 237) = ( 0.4491286 0.5508714 -0.4491286), wk = 0.0022371 k( 238) = ( 0.4440414 0.5559586 -0.4440414), wk = 0.0022371 k( 239) = ( 0.4389543 0.5610457 -0.4389543), wk = 0.0022371 k( 240) = ( 0.4338671 0.5661329 -0.4338671), wk = 0.0022371 k( 241) = ( 0.4287800 0.5712200 -0.4287800), wk = 0.0022371 k( 242) = ( 0.4236928 0.5763072 -0.4236928), wk = 0.0022371 k( 243) = ( 0.4186057 0.5813943 -0.4186057), wk = 0.0022371 k( 244) = ( 0.4135185 0.5864814 -0.4135185), wk = 0.0022371 k( 245) = ( 0.4084314 0.5915686 -0.4084314), wk = 0.0022371 k( 246) = ( 0.4033443 0.5966557 -0.4033443), wk = 0.0022371 k( 247) = ( 0.3982571 0.6017429 -0.3982571), wk = 0.0022371 k( 248) = ( 0.3931700 0.6068300 -0.3931700), wk = 0.0022371 k( 249) = ( 0.3880828 0.6119172 -0.3880828), wk = 0.0022371 k( 250) = ( 0.3829957 0.6170043 -0.3829957), wk = 0.0022371 k( 251) = ( 0.3779085 0.6220915 -0.3779085), wk = 0.0022371 k( 252) = ( 0.3728214 0.6271786 -0.3728214), wk = 0.0022371 k( 253) = ( 0.3677342 0.6322657 -0.3677342), wk = 0.0022371 k( 254) = ( 0.3626471 0.6373529 -0.3626471), wk = 0.0022371 k( 255) = ( 0.3575600 0.6424400 -0.3575600), wk = 0.0022371 k( 256) = ( 0.3524728 0.6475272 -0.3524728), wk = 0.0022371 k( 257) = ( 0.3473857 0.6526143 -0.3473857), wk = 0.0022371 k( 258) = ( 0.3422985 0.6577015 -0.3422985), wk = 0.0022371 k( 259) = ( 0.3372114 0.6627886 -0.3372114), wk = 0.0022371 k( 260) = ( 0.3321242 0.6678758 -0.3321242), wk = 0.0022371 k( 261) = ( 0.3270371 0.6729629 -0.3270371), wk = 0.0022371 k( 262) = ( 0.3219499 0.6780500 -0.3219499), wk = 0.0022371 k( 263) = ( 0.3168628 0.6831372 -0.3168628), wk = 0.0022371 k( 264) = ( 0.3117757 0.6882243 -0.3117757), wk = 0.0022371 k( 265) = ( 0.3066885 0.6933115 -0.3066885), wk = 0.0022371 k( 266) = ( 0.3016014 0.6983986 -0.3016014), wk = 0.0022371 k( 267) = ( 0.2965142 0.7034858 -0.2965142), wk = 0.0022371 k( 268) = ( 0.2914271 0.7085729 -0.2914271), wk = 0.0022371 k( 269) = ( 0.2914271 0.7085729 -0.2914271), wk = 0.0022371 k( 270) = ( 0.2781804 0.6990923 -0.2781804), wk = 0.0022371 k( 271) = ( 0.2649337 0.6896117 -0.2649337), wk = 0.0022371 k( 272) = ( 0.2516870 0.6801311 -0.2516870), wk = 0.0022371 k( 273) = ( 0.2384403 0.6706506 -0.2384403), wk = 0.0022371 k( 274) = ( 0.2251937 0.6611700 -0.2251937), wk = 0.0022371 k( 275) = ( 0.2119470 0.6516894 -0.2119470), wk = 0.0022371 k( 276) = ( 0.1987003 0.6422088 -0.1987003), wk = 0.0022371 k( 277) = ( 0.1854536 0.6327282 -0.1854536), wk = 0.0022371 k( 278) = ( 0.1722069 0.6232476 -0.1722069), wk = 0.0022371 k( 279) = ( 0.1589602 0.6137670 -0.1589602), wk = 0.0022371 k( 280) = ( 0.1457135 0.6042865 -0.1457135), wk = 0.0022371 k( 281) = ( 0.1324669 0.5948059 -0.1324669), wk = 0.0022371 k( 282) = ( 0.1192202 0.5853253 -0.1192202), wk = 0.0022371 k( 283) = ( 0.1059735 0.5758447 -0.1059735), wk = 0.0022371 k( 284) = ( 0.0927268 0.5663641 -0.0927268), wk = 0.0022371 k( 285) = ( 0.0794801 0.5568835 -0.0794801), wk = 0.0022371 k( 286) = ( 0.0662334 0.5474029 -0.0662334), wk = 0.0022371 k( 287) = ( 0.0529867 0.5379223 -0.0529867), wk = 0.0022371 k( 288) = ( 0.0397401 0.5284418 -0.0397401), wk = 0.0022371 k( 289) = ( 0.0264934 0.5189612 -0.0264934), wk = 0.0022371 k( 290) = ( 0.0132467 0.5094806 -0.0132467), wk = 0.0022371 k( 291) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022371 k( 292) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022371 k( 293) = ( 0.0050000 0.4950000 0.0050000), wk = 0.0022371 k( 294) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0022371 k( 295) = ( 0.0150000 0.4850000 0.0150000), wk = 0.0022371 k( 296) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0022371 k( 297) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0022371 k( 298) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0022371 k( 299) = ( 0.0350000 0.4650000 0.0350000), wk = 0.0022371 k( 300) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0022371 k( 301) = ( 0.0450000 0.4550000 0.0450000), wk = 0.0022371 k( 302) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0022371 k( 303) = ( 0.0550000 0.4450000 0.0550000), wk = 0.0022371 k( 304) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0022371 k( 305) = ( 0.0650000 0.4350000 0.0650000), wk = 0.0022371 k( 306) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0022371 k( 307) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0022371 k( 308) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0022371 k( 309) = ( 0.0850000 0.4150000 0.0850000), wk = 0.0022371 k( 310) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0022371 k( 311) = ( 0.0950000 0.4050000 0.0950000), wk = 0.0022371 k( 312) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0022371 k( 313) = ( 0.1050000 0.3950000 0.1050000), wk = 0.0022371 k( 314) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0022371 k( 315) = ( 0.1150000 0.3850000 0.1150000), wk = 0.0022371 k( 316) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0022371 k( 317) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0022371 k( 318) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0022371 k( 319) = ( 0.1350000 0.3650000 0.1350000), wk = 0.0022371 k( 320) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0022371 k( 321) = ( 0.1450000 0.3550000 0.1450000), wk = 0.0022371 k( 322) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0022371 k( 323) = ( 0.1550000 0.3450000 0.1550000), wk = 0.0022371 k( 324) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0022371 k( 325) = ( 0.1650000 0.3350000 0.1650000), wk = 0.0022371 k( 326) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0022371 k( 327) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0022371 k( 328) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0022371 k( 329) = ( 0.1850000 0.3150000 0.1850000), wk = 0.0022371 k( 330) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0022371 k( 331) = ( 0.1950000 0.3050000 0.1950000), wk = 0.0022371 k( 332) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0022371 k( 333) = ( 0.2050000 0.2950000 0.2050000), wk = 0.0022371 k( 334) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0022371 k( 335) = ( 0.2150000 0.2850000 0.2150000), wk = 0.0022371 k( 336) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0022371 k( 337) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0022371 k( 338) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0022371 k( 339) = ( 0.2350000 0.2650000 0.2350000), wk = 0.0022371 k( 340) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0022371 k( 341) = ( 0.2450000 0.2550000 0.2450000), wk = 0.0022371 k( 342) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022371 k( 343) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022371 k( 344) = ( 0.2604167 0.2604167 0.2361311), wk = 0.0022371 k( 345) = ( 0.2708333 0.2708333 0.2222621), wk = 0.0022371 k( 346) = ( 0.2812500 0.2812500 0.2083932), wk = 0.0022371 k( 347) = ( 0.2916667 0.2916667 0.1945243), wk = 0.0022371 k( 348) = ( 0.3020833 0.3020833 0.1806554), wk = 0.0022371 k( 349) = ( 0.3125000 0.3125000 0.1667865), wk = 0.0022371 k( 350) = ( 0.3229167 0.3229167 0.1529175), wk = 0.0022371 k( 351) = ( 0.3333333 0.3333333 0.1390486), wk = 0.0022371 k( 352) = ( 0.3437500 0.3437500 0.1251797), wk = 0.0022371 k( 353) = ( 0.3541667 0.3541667 0.1113108), wk = 0.0022371 k( 354) = ( 0.3645833 0.3645833 0.0974418), wk = 0.0022371 k( 355) = ( 0.3750000 0.3750000 0.0835729), wk = 0.0022371 k( 356) = ( 0.3854167 0.3854167 0.0697040), wk = 0.0022371 k( 357) = ( 0.3958333 0.3958333 0.0558351), wk = 0.0022371 k( 358) = ( 0.4062500 0.4062500 0.0419661), wk = 0.0022371 k( 359) = ( 0.4166667 0.4166667 0.0280972), wk = 0.0022371 k( 360) = ( 0.4270833 0.4270833 0.0142283), wk = 0.0022371 k( 361) = ( 0.4375000 0.4375000 0.0003594), wk = 0.0022371 k( 362) = ( 0.4479167 0.4479167 -0.0135096), wk = 0.0022371 k( 363) = ( 0.4583333 0.4583333 -0.0273785), wk = 0.0022371 k( 364) = ( 0.4687500 0.4687500 -0.0412474), wk = 0.0022371 k( 365) = ( 0.4791667 0.4791667 -0.0551163), wk = 0.0022371 k( 366) = ( 0.4895833 0.4895833 -0.0689852), wk = 0.0022371 k( 367) = ( 0.5000000 0.5000000 -0.0828542), wk = 0.0022371 k( 368) = ( 0.5000000 0.5000000 -0.0828542), wk = 0.0022371 k( 369) = ( 0.5000000 0.5000000 -0.0900463), wk = 0.0022371 k( 370) = ( 0.5000000 0.5000000 -0.0972385), wk = 0.0022371 k( 371) = ( 0.5000000 0.5000000 -0.1044307), wk = 0.0022371 k( 372) = ( 0.5000000 0.5000000 -0.1116228), wk = 0.0022371 k( 373) = ( 0.5000000 0.5000000 -0.1188150), wk = 0.0022371 k( 374) = ( 0.5000000 0.5000000 -0.1260072), wk = 0.0022371 k( 375) = ( 0.5000000 0.5000000 -0.1331994), wk = 0.0022371 k( 376) = ( 0.5000000 0.5000000 -0.1403915), wk = 0.0022371 k( 377) = ( 0.5000000 0.5000000 -0.1475837), wk = 0.0022371 k( 378) = ( 0.5000000 0.5000000 -0.1547759), wk = 0.0022371 k( 379) = ( 0.5000000 0.5000000 -0.1619680), wk = 0.0022371 k( 380) = ( 0.5000000 0.5000000 -0.1691602), wk = 0.0022371 k( 381) = ( 0.5000000 0.5000000 -0.1763524), wk = 0.0022371 k( 382) = ( 0.5000000 0.5000000 -0.1835445), wk = 0.0022371 k( 383) = ( 0.5000000 0.5000000 -0.1907367), wk = 0.0022371 k( 384) = ( 0.5000000 0.5000000 -0.1979289), wk = 0.0022371 k( 385) = ( 0.5000000 0.5000000 -0.2051210), wk = 0.0022371 k( 386) = ( 0.5000000 0.5000000 -0.2123132), wk = 0.0022371 k( 387) = ( 0.5000000 0.5000000 -0.2195054), wk = 0.0022371 k( 388) = ( 0.5000000 0.5000000 -0.2266976), wk = 0.0022371 k( 389) = ( 0.5000000 0.5000000 -0.2338897), wk = 0.0022371 k( 390) = ( 0.5000000 0.5000000 -0.2410819), wk = 0.0022371 k( 391) = ( 0.5000000 0.5000000 -0.2482741), wk = 0.0022371 k( 392) = ( 0.5000000 0.5000000 -0.2554662), wk = 0.0022371 k( 393) = ( 0.5000000 0.5000000 -0.2626584), wk = 0.0022371 k( 394) = ( 0.5000000 0.5000000 -0.2698506), wk = 0.0022371 k( 395) = ( 0.5000000 0.5000000 -0.2770427), wk = 0.0022371 k( 396) = ( 0.5000000 0.5000000 -0.2842349), wk = 0.0022371 k( 397) = ( 0.5000000 0.5000000 -0.2914271), wk = 0.0022371 k( 398) = ( 0.5000000 0.5000000 -0.2986192), wk = 0.0022371 k( 399) = ( 0.5000000 0.5000000 -0.3058114), wk = 0.0022371 k( 400) = ( 0.5000000 0.5000000 -0.3130036), wk = 0.0022371 k( 401) = ( 0.5000000 0.5000000 -0.3201958), wk = 0.0022371 k( 402) = ( 0.5000000 0.5000000 -0.3273879), wk = 0.0022371 k( 403) = ( 0.5000000 0.5000000 -0.3345801), wk = 0.0022371 k( 404) = ( 0.5000000 0.5000000 -0.3417723), wk = 0.0022371 k( 405) = ( 0.5000000 0.5000000 -0.3489644), wk = 0.0022371 k( 406) = ( 0.5000000 0.5000000 -0.3561566), wk = 0.0022371 k( 407) = ( 0.5000000 0.5000000 -0.3633488), wk = 0.0022371 k( 408) = ( 0.5000000 0.5000000 -0.3705409), wk = 0.0022371 k( 409) = ( 0.5000000 0.5000000 -0.3777331), wk = 0.0022371 k( 410) = ( 0.5000000 0.5000000 -0.3849253), wk = 0.0022371 k( 411) = ( 0.5000000 0.5000000 -0.3921175), wk = 0.0022371 k( 412) = ( 0.5000000 0.5000000 -0.3993096), wk = 0.0022371 k( 413) = ( 0.5000000 0.5000000 -0.4065018), wk = 0.0022371 k( 414) = ( 0.5000000 0.5000000 -0.4136940), wk = 0.0022371 k( 415) = ( 0.5000000 0.5000000 -0.4208861), wk = 0.0022371 k( 416) = ( 0.5000000 0.5000000 -0.4280783), wk = 0.0022371 k( 417) = ( 0.5000000 0.5000000 -0.4352705), wk = 0.0022371 k( 418) = ( 0.5000000 0.5000000 -0.4424626), wk = 0.0022371 k( 419) = ( 0.5000000 0.5000000 -0.4496548), wk = 0.0022371 k( 420) = ( 0.5000000 0.5000000 -0.4568470), wk = 0.0022371 k( 421) = ( 0.5000000 0.5000000 -0.4640391), wk = 0.0022371 k( 422) = ( 0.5000000 0.5000000 -0.4712313), wk = 0.0022371 k( 423) = ( 0.5000000 0.5000000 -0.4784235), wk = 0.0022371 k( 424) = ( 0.5000000 0.5000000 -0.4856157), wk = 0.0022371 k( 425) = ( 0.5000000 0.5000000 -0.4928078), wk = 0.0022371 k( 426) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0022371 k( 427) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022371 k( 428) = ( 0.0125000 0.0125000 0.4875000), wk = 0.0022371 k( 429) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0022371 k( 430) = ( 0.0375000 0.0375000 0.4625000), wk = 0.0022371 k( 431) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0022371 k( 432) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0022371 k( 433) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0022371 k( 434) = ( 0.0875000 0.0875000 0.4125000), wk = 0.0022371 k( 435) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0022371 k( 436) = ( 0.1125000 0.1125000 0.3875000), wk = 0.0022371 k( 437) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0022371 k( 438) = ( 0.1375000 0.1375000 0.3625000), wk = 0.0022371 k( 439) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0022371 k( 440) = ( 0.1625000 0.1625000 0.3375000), wk = 0.0022371 k( 441) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0022371 k( 442) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0022371 k( 443) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0022371 k( 444) = ( 0.2125000 0.2125000 0.2875000), wk = 0.0022371 k( 445) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0022371 k( 446) = ( 0.2375000 0.2375000 0.2625000), wk = 0.0022371 k( 447) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0022371 Dense grid: 24653 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 13013 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 102, 30) NL pseudopotentials 0.08 Mb ( 51, 102) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 685) G-vector shells 0.00 Mb ( 313) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.19 Mb ( 102, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.09 Mb ( 102, 2, 30) The potential is recalculated from file : ./Si2Mo.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 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.5 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.3 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.7 secs Computing kpt #: 11 total cpu time spent up to now is 4.9 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.2 secs Computing kpt #: 14 total cpu time spent up to now is 5.4 secs Computing kpt #: 15 total cpu time spent up to now is 5.6 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 6.0 secs Computing kpt #: 18 total cpu time spent up to now is 6.2 secs Computing kpt #: 19 total cpu time spent up to now is 6.3 secs Computing kpt #: 20 total cpu time spent up to now is 6.5 secs Computing kpt #: 21 total cpu time spent up to now is 6.7 secs Computing kpt #: 22 total cpu time spent up to now is 6.9 secs Computing kpt #: 23 total cpu time spent up to now is 7.0 secs Computing kpt #: 24 total cpu time spent up to now is 7.2 secs Computing kpt #: 25 total cpu time spent up to now is 7.4 secs Computing kpt #: 26 total cpu time spent up to now is 7.5 secs Computing kpt #: 27 total cpu time spent up to now is 7.7 secs Computing kpt #: 28 total cpu time spent up to now is 7.9 secs Computing kpt #: 29 total cpu time spent up to now is 8.1 secs Computing kpt #: 30 total cpu time spent up to now is 8.2 secs Computing kpt #: 31 total cpu time spent up to now is 8.4 secs Computing kpt #: 32 total cpu time spent up to now is 8.6 secs Computing kpt #: 33 total cpu time spent up to now is 8.8 secs Computing kpt #: 34 total cpu time spent up to now is 8.9 secs Computing kpt #: 35 total cpu time spent up to now is 9.1 secs Computing kpt #: 36 total cpu time spent up to now is 9.3 secs Computing kpt #: 37 total cpu time spent up to now is 9.5 secs Computing kpt #: 38 total cpu time spent up to now is 9.6 secs Computing kpt #: 39 total cpu time spent up to now is 9.8 secs Computing kpt #: 40 total cpu time spent up to now is 10.0 secs Computing kpt #: 41 total cpu time spent up to now is 10.2 secs Computing kpt #: 42 total cpu time spent up to now is 10.4 secs Computing kpt #: 43 total cpu time spent up to now is 10.5 secs Computing kpt #: 44 total cpu time spent up to now is 10.7 secs Computing kpt #: 45 total cpu time spent up to now is 10.9 secs Computing kpt #: 46 total cpu time spent up to now is 11.1 secs Computing kpt #: 47 total cpu time spent up to now is 11.3 secs Computing kpt #: 48 total cpu time spent up to now is 11.4 secs Computing kpt #: 49 total cpu time spent up to now is 11.6 secs Computing kpt #: 50 total cpu time spent up to now is 11.8 secs Computing kpt #: 51 total cpu time spent up to now is 12.0 secs Computing kpt #: 52 total cpu time spent up to now is 12.2 secs Computing kpt #: 53 total cpu time spent up to now is 12.4 secs Computing kpt #: 54 total cpu time spent up to now is 12.5 secs Computing kpt #: 55 total cpu time spent up to now is 12.7 secs Computing kpt #: 56 total cpu time spent up to now is 12.9 secs Computing kpt #: 57 total cpu time spent up to now is 13.1 secs Computing kpt #: 58 total cpu time spent up to now is 13.2 secs Computing kpt #: 59 total cpu time spent up to now is 13.4 secs Computing kpt #: 60 total cpu time spent up to now is 13.6 secs Computing kpt #: 61 total cpu time spent up to now is 13.8 secs Computing kpt #: 62 total cpu time spent up to now is 13.9 secs Computing kpt #: 63 total cpu time spent up to now is 14.1 secs Computing kpt #: 64 total cpu time spent up to now is 14.3 secs Computing kpt #: 65 total cpu time spent up to now is 14.4 secs Computing kpt #: 66 total cpu time spent up to now is 14.6 secs Computing kpt #: 67 total cpu time spent up to now is 14.8 secs Computing kpt #: 68 total cpu time spent up to now is 14.9 secs Computing kpt #: 69 total cpu time spent up to now is 15.1 secs Computing kpt #: 70 total cpu time spent up to now is 15.2 secs Computing kpt #: 71 total cpu time spent up to now is 15.4 secs Computing kpt #: 72 total cpu time spent up to now is 15.6 secs Computing kpt #: 73 total cpu time spent up to now is 15.7 secs Computing kpt #: 74 total cpu time spent up to now is 15.9 secs Computing kpt #: 75 total cpu time spent up to now is 16.4 secs Computing kpt #: 76 total cpu time spent up to now is 16.6 secs Computing kpt #: 77 total cpu time spent up to now is 16.8 secs Computing kpt #: 78 total cpu time spent up to now is 17.0 secs Computing kpt #: 79 total cpu time spent up to now is 17.1 secs Computing kpt #: 80 total cpu time spent up to now is 17.3 secs Computing kpt #: 81 total cpu time spent up to now is 17.5 secs Computing kpt #: 82 total cpu time spent up to now is 17.7 secs Computing kpt #: 83 total cpu time spent up to now is 17.8 secs Computing kpt #: 84 total cpu time spent up to now is 18.0 secs Computing kpt #: 85 total cpu time spent up to now is 18.2 secs Computing kpt #: 86 total cpu time spent up to now is 18.3 secs Computing kpt #: 87 total cpu time spent up to now is 18.5 secs Computing kpt #: 88 total cpu time spent up to now is 18.7 secs Computing kpt #: 89 total cpu time spent up to now is 18.9 secs Computing kpt #: 90 total cpu time spent up to now is 19.0 secs Computing kpt #: 91 total cpu time spent up to now is 19.2 secs Computing kpt #: 92 total cpu time spent up to now is 19.4 secs Computing kpt #: 93 total cpu time spent up to now is 19.6 secs Computing kpt #: 94 total cpu time spent up to now is 19.8 secs Computing kpt #: 95 total cpu time spent up to now is 20.0 secs Computing kpt #: 96 total cpu time spent up to now is 20.2 secs Computing kpt #: 97 total cpu time spent up to now is 20.4 secs Computing kpt #: 98 total cpu time spent up to now is 20.6 secs Computing kpt #: 99 total cpu time spent up to now is 20.8 secs Computing kpt #: 100 total cpu time spent up to now is 21.0 secs Computing kpt #: 101 total cpu time spent up to now is 21.2 secs Computing kpt #: 102 total cpu time spent up to now is 21.3 secs Computing kpt #: 103 total cpu time spent up to now is 21.5 secs Computing kpt #: 104 total cpu time spent up to now is 21.6 secs Computing kpt #: 105 total cpu time spent up to now is 21.8 secs Computing kpt #: 106 total cpu time spent up to now is 22.0 secs Computing kpt #: 107 total cpu time spent up to now is 22.1 secs Computing kpt #: 108 total cpu time spent up to now is 22.3 secs Computing kpt #: 109 total cpu time spent up to now is 22.4 secs Computing kpt #: 110 total cpu time spent up to now is 22.6 secs Computing kpt #: 111 total cpu time spent up to now is 22.7 secs Computing kpt #: 112 total cpu time spent up to now is 22.9 secs Computing kpt #: 113 total cpu time spent up to now is 23.1 secs Computing kpt #: 114 total cpu time spent up to now is 23.2 secs Computing kpt #: 115 total cpu time spent up to now is 23.4 secs Computing kpt #: 116 total cpu time spent up to now is 23.5 secs Computing kpt #: 117 total cpu time spent up to now is 23.7 secs Computing kpt #: 118 total cpu time spent up to now is 23.9 secs Computing kpt #: 119 total cpu time spent up to now is 24.0 secs Computing kpt #: 120 total cpu time spent up to now is 24.2 secs Computing kpt #: 121 total cpu time spent up to now is 24.4 secs Computing kpt #: 122 total cpu time spent up to now is 24.6 secs Computing kpt #: 123 total cpu time spent up to now is 24.7 secs Computing kpt #: 124 total cpu time spent up to now is 24.9 secs Computing kpt #: 125 total cpu time spent up to now is 25.1 secs Computing kpt #: 126 total cpu time spent up to now is 25.3 secs Computing kpt #: 127 total cpu time spent up to now is 25.4 secs Computing kpt #: 128 total cpu time spent up to now is 25.6 secs Computing kpt #: 129 total cpu time spent up to now is 25.8 secs Computing kpt #: 130 total cpu time spent up to now is 26.0 secs Computing kpt #: 131 total cpu time spent up to now is 26.2 secs Computing kpt #: 132 total cpu time spent up to now is 26.3 secs Computing kpt #: 133 total cpu time spent up to now is 26.5 secs Computing kpt #: 134 total cpu time spent up to now is 26.7 secs Computing kpt #: 135 total cpu time spent up to now is 26.9 secs Computing kpt #: 136 total cpu time spent up to now is 27.0 secs Computing kpt #: 137 total cpu time spent up to now is 27.2 secs Computing kpt #: 138 total cpu time spent up to now is 27.4 secs Computing kpt #: 139 total cpu time spent up to now is 27.5 secs Computing kpt #: 140 total cpu time spent up to now is 27.7 secs Computing kpt #: 141 total cpu time spent up to now is 27.8 secs Computing kpt #: 142 total cpu time spent up to now is 28.0 secs Computing kpt #: 143 total cpu time spent up to now is 28.2 secs Computing kpt #: 144 total cpu time spent up to now is 28.3 secs Computing kpt #: 145 total cpu time spent up to now is 28.5 secs Computing kpt #: 146 total cpu time spent up to now is 28.6 secs Computing kpt #: 147 total cpu time spent up to now is 28.8 secs Computing kpt #: 148 total cpu time spent up to now is 28.9 secs Computing kpt #: 149 total cpu time spent up to now is 29.1 secs Computing kpt #: 150 total cpu time spent up to now is 29.2 secs Computing kpt #: 151 total cpu time spent up to now is 29.4 secs Computing kpt #: 152 total cpu time spent up to now is 29.6 secs Computing kpt #: 153 total cpu time spent up to now is 29.7 secs Computing kpt #: 154 total cpu time spent up to now is 29.9 secs Computing kpt #: 155 total cpu time spent up to now is 30.0 secs Computing kpt #: 156 total cpu time spent up to now is 30.2 secs Computing kpt #: 157 total cpu time spent up to now is 30.4 secs Computing kpt #: 158 total cpu time spent up to now is 30.5 secs Computing kpt #: 159 total cpu time spent up to now is 30.7 secs Computing kpt #: 160 total cpu time spent up to now is 30.9 secs Computing kpt #: 161 total cpu time spent up to now is 31.1 secs Computing kpt #: 162 total cpu time spent up to now is 31.3 secs Computing kpt #: 163 total cpu time spent up to now is 31.5 secs Computing kpt #: 164 total cpu time spent up to now is 31.7 secs Computing kpt #: 165 total cpu time spent up to now is 31.9 secs Computing kpt #: 166 total cpu time spent up to now is 32.1 secs Computing kpt #: 167 total cpu time spent up to now is 32.3 secs Computing kpt #: 168 total cpu time spent up to now is 32.5 secs Computing kpt #: 169 total cpu time spent up to now is 32.7 secs Computing kpt #: 170 total cpu time spent up to now is 32.8 secs Computing kpt #: 171 total cpu time spent up to now is 33.0 secs Computing kpt #: 172 total cpu time spent up to now is 33.2 secs Computing kpt #: 173 total cpu time spent up to now is 33.4 secs Computing kpt #: 174 total cpu time spent up to now is 33.5 secs Computing kpt #: 175 total cpu time spent up to now is 33.7 secs Computing kpt #: 176 total cpu time spent up to now is 33.9 secs Computing kpt #: 177 total cpu time spent up to now is 34.1 secs Computing kpt #: 178 total cpu time spent up to now is 34.3 secs Computing kpt #: 179 total cpu time spent up to now is 34.5 secs Computing kpt #: 180 total cpu time spent up to now is 34.7 secs Computing kpt #: 181 total cpu time spent up to now is 34.9 secs Computing kpt #: 182 total cpu time spent up to now is 35.1 secs Computing kpt #: 183 total cpu time spent up to now is 35.4 secs Computing kpt #: 184 total cpu time spent up to now is 35.6 secs Computing kpt #: 185 total cpu time spent up to now is 35.8 secs Computing kpt #: 186 total cpu time spent up to now is 36.0 secs Computing kpt #: 187 total cpu time spent up to now is 36.2 secs Computing kpt #: 188 total cpu time spent up to now is 36.4 secs Computing kpt #: 189 total cpu time spent up to now is 36.6 secs Computing kpt #: 190 total cpu time spent up to now is 36.8 secs Computing kpt #: 191 total cpu time spent up to now is 37.0 secs Computing kpt #: 192 total cpu time spent up to now is 37.2 secs Computing kpt #: 193 total cpu time spent up to now is 37.4 secs Computing kpt #: 194 total cpu time spent up to now is 37.6 secs Computing kpt #: 195 total cpu time spent up to now is 37.7 secs Computing kpt #: 196 total cpu time spent up to now is 37.9 secs Computing kpt #: 197 total cpu time spent up to now is 38.1 secs Computing kpt #: 198 total cpu time spent up to now is 38.3 secs Computing kpt #: 199 total cpu time spent up to now is 38.5 secs Computing kpt #: 200 total cpu time spent up to now is 38.7 secs Computing kpt #: 201 total cpu time spent up to now is 38.9 secs Computing kpt #: 202 total cpu time spent up to now is 39.0 secs Computing kpt #: 203 total cpu time spent up to now is 39.2 secs Computing kpt #: 204 total cpu time spent up to now is 39.4 secs Computing kpt #: 205 total cpu time spent up to now is 39.6 secs Computing kpt #: 206 total cpu time spent up to now is 39.8 secs Computing kpt #: 207 total cpu time spent up to now is 39.9 secs Computing kpt #: 208 total cpu time spent up to now is 40.1 secs Computing kpt #: 209 total cpu time spent up to now is 40.3 secs Computing kpt #: 210 total cpu time spent up to now is 40.5 secs Computing kpt #: 211 total cpu time spent up to now is 40.6 secs Computing kpt #: 212 total cpu time spent up to now is 40.8 secs Computing kpt #: 213 total cpu time spent up to now is 41.0 secs Computing kpt #: 214 total cpu time spent up to now is 41.2 secs Computing kpt #: 215 total cpu time spent up to now is 41.4 secs Computing kpt #: 216 total cpu time spent up to now is 41.6 secs Computing kpt #: 217 total cpu time spent up to now is 41.7 secs Computing kpt #: 218 total cpu time spent up to now is 41.9 secs Computing kpt #: 219 total cpu time spent up to now is 42.1 secs Computing kpt #: 220 total cpu time spent up to now is 42.3 secs Computing kpt #: 221 total cpu time spent up to now is 42.5 secs Computing kpt #: 222 total cpu time spent up to now is 42.6 secs Computing kpt #: 223 total cpu time spent up to now is 42.8 secs Computing kpt #: 224 total cpu time spent up to now is 42.9 secs Computing kpt #: 225 total cpu time spent up to now is 43.1 secs Computing kpt #: 226 total cpu time spent up to now is 43.2 secs Computing kpt #: 227 total cpu time spent up to now is 43.3 secs Computing kpt #: 228 total cpu time spent up to now is 43.5 secs Computing kpt #: 229 total cpu time spent up to now is 43.6 secs Computing kpt #: 230 total cpu time spent up to now is 43.8 secs Computing kpt #: 231 total cpu time spent up to now is 43.9 secs Computing kpt #: 232 total cpu time spent up to now is 44.1 secs Computing kpt #: 233 total cpu time spent up to now is 44.3 secs Computing kpt #: 234 total cpu time spent up to now is 44.4 secs Computing kpt #: 235 total cpu time spent up to now is 44.6 secs Computing kpt #: 236 total cpu time spent up to now is 44.8 secs Computing kpt #: 237 total cpu time spent up to now is 44.9 secs Computing kpt #: 238 total cpu time spent up to now is 45.1 secs Computing kpt #: 239 total cpu time spent up to now is 45.3 secs Computing kpt #: 240 total cpu time spent up to now is 45.5 secs Computing kpt #: 241 total cpu time spent up to now is 45.7 secs Computing kpt #: 242 total cpu time spent up to now is 45.9 secs Computing kpt #: 243 total cpu time spent up to now is 46.1 secs Computing kpt #: 244 total cpu time spent up to now is 46.3 secs Computing kpt #: 245 total cpu time spent up to now is 46.5 secs Computing kpt #: 246 total cpu time spent up to now is 46.7 secs Computing kpt #: 247 total cpu time spent up to now is 46.9 secs Computing kpt #: 248 total cpu time spent up to now is 47.1 secs Computing kpt #: 249 total cpu time spent up to now is 47.2 secs Computing kpt #: 250 total cpu time spent up to now is 47.4 secs Computing kpt #: 251 total cpu time spent up to now is 47.6 secs Computing kpt #: 252 total cpu time spent up to now is 47.8 secs Computing kpt #: 253 total cpu time spent up to now is 48.2 secs Computing kpt #: 254 total cpu time spent up to now is 48.5 secs Computing kpt #: 255 total cpu time spent up to now is 48.7 secs Computing kpt #: 256 total cpu time spent up to now is 48.9 secs Computing kpt #: 257 total cpu time spent up to now is 49.2 secs Computing kpt #: 258 total cpu time spent up to now is 49.4 secs Computing kpt #: 259 total cpu time spent up to now is 49.5 secs Computing kpt #: 260 total cpu time spent up to now is 49.7 secs Computing kpt #: 261 total cpu time spent up to now is 49.9 secs Computing kpt #: 262 total cpu time spent up to now is 50.1 secs Computing kpt #: 263 total cpu time spent up to now is 50.3 secs Computing kpt #: 264 total cpu time spent up to now is 50.5 secs Computing kpt #: 265 total cpu time spent up to now is 50.6 secs Computing kpt #: 266 total cpu time spent up to now is 50.8 secs Computing kpt #: 267 total cpu time spent up to now is 51.0 secs Computing kpt #: 268 total cpu time spent up to now is 51.6 secs Computing kpt #: 269 total cpu time spent up to now is 51.8 secs Computing kpt #: 270 total cpu time spent up to now is 52.0 secs Computing kpt #: 271 total cpu time spent up to now is 52.1 secs Computing kpt #: 272 total cpu time spent up to now is 52.3 secs Computing kpt #: 273 total cpu time spent up to now is 52.5 secs Computing kpt #: 274 total cpu time spent up to now is 52.7 secs Computing kpt #: 275 total cpu time spent up to now is 52.9 secs Computing kpt #: 276 total cpu time spent up to now is 53.1 secs Computing kpt #: 277 total cpu time spent up to now is 53.3 secs Computing kpt #: 278 total cpu time spent up to now is 53.4 secs Computing kpt #: 279 total cpu time spent up to now is 53.6 secs Computing kpt #: 280 total cpu time spent up to now is 53.8 secs Computing kpt #: 281 total cpu time spent up to now is 54.0 secs Computing kpt #: 282 total cpu time spent up to now is 54.1 secs Computing kpt #: 283 total cpu time spent up to now is 54.3 secs Computing kpt #: 284 total cpu time spent up to now is 54.5 secs Computing kpt #: 285 total cpu time spent up to now is 54.6 secs Computing kpt #: 286 total cpu time spent up to now is 54.8 secs Computing kpt #: 287 total cpu time spent up to now is 55.0 secs Computing kpt #: 288 total cpu time spent up to now is 55.2 secs Computing kpt #: 289 total cpu time spent up to now is 55.4 secs Computing kpt #: 290 total cpu time spent up to now is 55.5 secs Computing kpt #: 291 total cpu time spent up to now is 55.7 secs Computing kpt #: 292 total cpu time spent up to now is 55.9 secs Computing kpt #: 293 total cpu time spent up to now is 56.1 secs Computing kpt #: 294 total cpu time spent up to now is 56.2 secs Computing kpt #: 295 total cpu time spent up to now is 56.4 secs Computing kpt #: 296 total cpu time spent up to now is 56.6 secs Computing kpt #: 297 total cpu time spent up to now is 56.8 secs Computing kpt #: 298 total cpu time spent up to now is 57.0 secs Computing kpt #: 299 total cpu time spent up to now is 57.2 secs Computing kpt #: 300 total cpu time spent up to now is 57.4 secs Computing kpt #: 301 total cpu time spent up to now is 57.5 secs Computing kpt #: 302 total cpu time spent up to now is 57.7 secs Computing kpt #: 303 total cpu time spent up to now is 57.9 secs Computing kpt #: 304 total cpu time spent up to now is 58.1 secs Computing kpt #: 305 total cpu time spent up to now is 58.3 secs Computing kpt #: 306 total cpu time spent up to now is 58.5 secs Computing kpt #: 307 total cpu time spent up to now is 58.6 secs Computing kpt #: 308 total cpu time spent up to now is 58.8 secs Computing kpt #: 309 total cpu time spent up to now is 59.0 secs Computing kpt #: 310 total cpu time spent up to now is 59.1 secs Computing kpt #: 311 total cpu time spent up to now is 59.3 secs Computing kpt #: 312 total cpu time spent up to now is 59.4 secs Computing kpt #: 313 total cpu time spent up to now is 59.6 secs Computing kpt #: 314 total cpu time spent up to now is 59.8 secs Computing kpt #: 315 total cpu time spent up to now is 59.9 secs Computing kpt #: 316 total cpu time spent up to now is 60.1 secs Computing kpt #: 317 total cpu time spent up to now is 60.3 secs Computing kpt #: 318 total cpu time spent up to now is 60.4 secs Computing kpt #: 319 total cpu time spent up to now is 60.6 secs Computing kpt #: 320 total cpu time spent up to now is 60.7 secs Computing kpt #: 321 total cpu time spent up to now is 60.9 secs Computing kpt #: 322 total cpu time spent up to now is 61.1 secs Computing kpt #: 323 total cpu time spent up to now is 61.2 secs Computing kpt #: 324 total cpu time spent up to now is 61.4 secs Computing kpt #: 325 total cpu time spent up to now is 61.6 secs Computing kpt #: 326 total cpu time spent up to now is 61.7 secs Computing kpt #: 327 total cpu time spent up to now is 61.9 secs Computing kpt #: 328 total cpu time spent up to now is 62.1 secs Computing kpt #: 329 total cpu time spent up to now is 62.3 secs Computing kpt #: 330 total cpu time spent up to now is 62.4 secs Computing kpt #: 331 total cpu time spent up to now is 62.6 secs Computing kpt #: 332 total cpu time spent up to now is 62.8 secs Computing kpt #: 333 total cpu time spent up to now is 63.0 secs Computing kpt #: 334 total cpu time spent up to now is 63.2 secs Computing kpt #: 335 total cpu time spent up to now is 63.4 secs Computing kpt #: 336 total cpu time spent up to now is 63.6 secs Computing kpt #: 337 total cpu time spent up to now is 63.8 secs Computing kpt #: 338 total cpu time spent up to now is 63.9 secs Computing kpt #: 339 total cpu time spent up to now is 64.1 secs Computing kpt #: 340 total cpu time spent up to now is 64.3 secs Computing kpt #: 341 total cpu time spent up to now is 64.5 secs Computing kpt #: 342 total cpu time spent up to now is 64.7 secs Computing kpt #: 343 total cpu time spent up to now is 64.9 secs Computing kpt #: 344 total cpu time spent up to now is 65.1 secs Computing kpt #: 345 total cpu time spent up to now is 65.3 secs Computing kpt #: 346 total cpu time spent up to now is 65.5 secs Computing kpt #: 347 total cpu time spent up to now is 65.7 secs Computing kpt #: 348 total cpu time spent up to now is 65.9 secs Computing kpt #: 349 total cpu time spent up to now is 66.1 secs Computing kpt #: 350 total cpu time spent up to now is 66.3 secs Computing kpt #: 351 total cpu time spent up to now is 66.5 secs Computing kpt #: 352 total cpu time spent up to now is 66.6 secs Computing kpt #: 353 total cpu time spent up to now is 66.8 secs Computing kpt #: 354 total cpu time spent up to now is 67.0 secs Computing kpt #: 355 total cpu time spent up to now is 67.2 secs Computing kpt #: 356 total cpu time spent up to now is 67.4 secs Computing kpt #: 357 total cpu time spent up to now is 67.5 secs Computing kpt #: 358 total cpu time spent up to now is 67.7 secs Computing kpt #: 359 total cpu time spent up to now is 67.9 secs Computing kpt #: 360 total cpu time spent up to now is 68.1 secs Computing kpt #: 361 total cpu time spent up to now is 68.2 secs Computing kpt #: 362 total cpu time spent up to now is 68.4 secs Computing kpt #: 363 total cpu time spent up to now is 68.6 secs Computing kpt #: 364 total cpu time spent up to now is 68.7 secs Computing kpt #: 365 total cpu time spent up to now is 68.9 secs Computing kpt #: 366 total cpu time spent up to now is 69.1 secs Computing kpt #: 367 total cpu time spent up to now is 69.3 secs Computing kpt #: 368 total cpu time spent up to now is 69.4 secs Computing kpt #: 369 total cpu time spent up to now is 69.6 secs Computing kpt #: 370 total cpu time spent up to now is 69.8 secs Computing kpt #: 371 total cpu time spent up to now is 69.9 secs Computing kpt #: 372 total cpu time spent up to now is 70.1 secs Computing kpt #: 373 total cpu time spent up to now is 70.3 secs Computing kpt #: 374 total cpu time spent up to now is 70.4 secs Computing kpt #: 375 total cpu time spent up to now is 70.6 secs Computing kpt #: 376 total cpu time spent up to now is 70.8 secs Computing kpt #: 377 total cpu time spent up to now is 71.0 secs Computing kpt #: 378 total cpu time spent up to now is 71.2 secs Computing kpt #: 379 total cpu time spent up to now is 71.4 secs Computing kpt #: 380 total cpu time spent up to now is 71.6 secs Computing kpt #: 381 total cpu time spent up to now is 71.8 secs Computing kpt #: 382 total cpu time spent up to now is 72.0 secs Computing kpt #: 383 total cpu time spent up to now is 72.2 secs Computing kpt #: 384 total cpu time spent up to now is 72.4 secs Computing kpt #: 385 total cpu time spent up to now is 72.6 secs Computing kpt #: 386 total cpu time spent up to now is 72.8 secs Computing kpt #: 387 total cpu time spent up to now is 73.0 secs Computing kpt #: 388 total cpu time spent up to now is 73.2 secs Computing kpt #: 389 total cpu time spent up to now is 73.3 secs Computing kpt #: 390 total cpu time spent up to now is 73.5 secs Computing kpt #: 391 total cpu time spent up to now is 73.7 secs Computing kpt #: 392 total cpu time spent up to now is 73.9 secs Computing kpt #: 393 total cpu time spent up to now is 74.1 secs Computing kpt #: 394 total cpu time spent up to now is 74.3 secs Computing kpt #: 395 total cpu time spent up to now is 74.5 secs Computing kpt #: 396 total cpu time spent up to now is 74.7 secs Computing kpt #: 397 total cpu time spent up to now is 74.9 secs Computing kpt #: 398 total cpu time spent up to now is 75.1 secs Computing kpt #: 399 total cpu time spent up to now is 75.3 secs Computing kpt #: 400 total cpu time spent up to now is 75.5 secs Computing kpt #: 401 total cpu time spent up to now is 75.8 secs Computing kpt #: 402 total cpu time spent up to now is 76.0 secs Computing kpt #: 403 total cpu time spent up to now is 76.2 secs Computing kpt #: 404 total cpu time spent up to now is 76.5 secs Computing kpt #: 405 total cpu time spent up to now is 76.6 secs Computing kpt #: 406 total cpu time spent up to now is 76.9 secs Computing kpt #: 407 total cpu time spent up to now is 77.2 secs Computing kpt #: 408 total cpu time spent up to now is 77.4 secs Computing kpt #: 409 total cpu time spent up to now is 77.6 secs Computing kpt #: 410 total cpu time spent up to now is 77.8 secs Computing kpt #: 411 total cpu time spent up to now is 78.0 secs Computing kpt #: 412 total cpu time spent up to now is 78.2 secs Computing kpt #: 413 total cpu time spent up to now is 78.4 secs Computing kpt #: 414 total cpu time spent up to now is 78.5 secs Computing kpt #: 415 total cpu time spent up to now is 78.7 secs Computing kpt #: 416 total cpu time spent up to now is 78.9 secs Computing kpt #: 417 total cpu time spent up to now is 79.0 secs Computing kpt #: 418 total cpu time spent up to now is 79.2 secs Computing kpt #: 419 total cpu time spent up to now is 79.3 secs Computing kpt #: 420 total cpu time spent up to now is 79.5 secs Computing kpt #: 421 total cpu time spent up to now is 79.6 secs Computing kpt #: 422 total cpu time spent up to now is 79.8 secs Computing kpt #: 423 total cpu time spent up to now is 79.9 secs Computing kpt #: 424 total cpu time spent up to now is 80.1 secs Computing kpt #: 425 total cpu time spent up to now is 80.2 secs Computing kpt #: 426 total cpu time spent up to now is 80.3 secs Computing kpt #: 427 total cpu time spent up to now is 80.5 secs Computing kpt #: 428 total cpu time spent up to now is 80.7 secs Computing kpt #: 429 total cpu time spent up to now is 80.8 secs Computing kpt #: 430 total cpu time spent up to now is 81.0 secs Computing kpt #: 431 total cpu time spent up to now is 81.2 secs Computing kpt #: 432 total cpu time spent up to now is 81.4 secs Computing kpt #: 433 total cpu time spent up to now is 81.5 secs Computing kpt #: 434 total cpu time spent up to now is 81.7 secs Computing kpt #: 435 total cpu time spent up to now is 81.9 secs Computing kpt #: 436 total cpu time spent up to now is 82.0 secs Computing kpt #: 437 total cpu time spent up to now is 82.2 secs Computing kpt #: 438 total cpu time spent up to now is 82.4 secs Computing kpt #: 439 total cpu time spent up to now is 82.6 secs Computing kpt #: 440 total cpu time spent up to now is 82.7 secs Computing kpt #: 441 total cpu time spent up to now is 82.9 secs Computing kpt #: 442 total cpu time spent up to now is 83.1 secs Computing kpt #: 443 total cpu time spent up to now is 83.3 secs Computing kpt #: 444 total cpu time spent up to now is 83.5 secs Computing kpt #: 445 total cpu time spent up to now is 83.7 secs Computing kpt #: 446 total cpu time spent up to now is 83.9 secs Computing kpt #: 447 total cpu time spent up to now is 84.0 secs ethr = 4.55E-08, avg # of iterations = 15.6 total cpu time spent up to now is 84.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1645 PWs) bands (ev): -44.6524 -44.6524 -20.4689 -20.4689 -18.0207 -18.0207 -17.9459 -17.9459 2.5991 2.5991 9.7183 9.7183 12.5933 12.5933 13.0415 13.0415 13.3783 13.3783 13.4353 13.4353 16.4813 16.4813 19.1226 19.1226 19.1894 19.1894 19.6497 19.6497 19.7803 19.7803 k = 0.0000 0.0000 0.0143 ( 1641 PWs) bands (ev): -44.6523 -44.6523 -20.4690 -20.4690 -18.0207 -18.0207 -17.9460 -17.9460 2.6006 2.6006 9.7197 9.7197 12.5839 12.5839 13.0419 13.0419 13.3803 13.3803 13.4388 13.4388 16.4750 16.4750 19.1161 19.1161 19.1931 19.1931 19.6475 19.6475 19.7766 19.7766 k = 0.0000 0.0000 0.0286 ( 1645 PWs) bands (ev): -44.6524 -44.6524 -20.4692 -20.4692 -18.0208 -18.0208 -17.9464 -17.9464 2.6054 2.6054 9.7241 9.7241 12.5570 12.5570 13.0433 13.0433 13.3776 13.3776 13.4568 13.4568 16.4561 16.4561 19.0971 19.0971 19.2042 19.2042 19.6407 19.6407 19.7675 19.7675 k = 0.0000 0.0000 0.0429 ( 1645 PWs) bands (ev): -44.6523 -44.6523 -20.4694 -20.4694 -18.0210 -18.0210 -17.9470 -17.9470 2.6133 2.6133 9.7313 9.7313 12.5158 12.5158 13.0455 13.0455 13.3614 13.3614 13.4949 13.4949 16.4248 16.4248 19.0667 19.0667 19.2222 19.2222 19.6285 19.6285 19.7577 19.7577 k = 0.0000 0.0000 0.0573 ( 1649 PWs) bands (ev): -44.6522 -44.6522 -20.4699 -20.4699 -18.0212 -18.0212 -17.9479 -17.9479 2.6244 2.6244 9.7414 9.7414 12.4641 12.4641 13.0486 13.0486 13.3339 13.3339 13.5476 13.5476 16.3816 16.3816 19.0264 19.0264 19.2465 19.2465 19.6109 19.6109 19.7508 19.7508 k = 0.0000 0.0000 0.0716 ( 1653 PWs) bands (ev): -44.6522 -44.6522 -20.4704 -20.4704 -18.0214 -18.0214 -17.9491 -17.9491 2.6387 2.6387 9.7543 9.7543 12.4051 12.4051 13.0524 13.0524 13.2972 13.2972 13.6097 13.6097 16.3269 16.3269 18.9781 18.9781 19.2762 19.2762 19.5895 19.5895 19.7481 19.7481 k = 0.0000 0.0000 0.0859 ( 1653 PWs) bands (ev): -44.6519 -44.6519 -20.4710 -20.4710 -18.0217 -18.0217 -17.9505 -17.9505 2.6560 2.6560 9.7700 9.7700 12.3414 12.3414 13.0569 13.0569 13.2527 13.2527 13.6778 13.6778 16.2614 16.2614 18.9237 18.9237 19.3102 19.3102 19.5664 19.5664 19.7494 19.7494 k = 0.0000 0.0000 0.1002 ( 1649 PWs) bands (ev): -44.6516 -44.6516 -20.4717 -20.4717 -18.0221 -18.0221 -17.9521 -17.9521 2.6766 2.6766 9.7885 9.7885 12.2747 12.2747 13.0618 13.0618 13.2015 13.2015 13.7497 13.7497 16.1858 16.1858 18.8650 18.8650 19.3471 19.3471 19.5439 19.5439 19.7538 19.7538 k = 0.0000 0.0000 0.1145 ( 1649 PWs) bands (ev): -44.6514 -44.6514 -20.4726 -20.4726 -18.0224 -18.0224 -17.9540 -17.9540 2.7002 2.7002 9.8096 9.8096 12.2062 12.2062 13.0656 13.0656 13.1458 13.1458 13.8237 13.8237 16.1009 16.1009 18.8037 18.8037 19.3849 19.3849 19.5241 19.5241 19.7606 19.7606 k = 0.0000 0.0000 0.1288 ( 1645 PWs) bands (ev): -44.6510 -44.6510 -20.4735 -20.4735 -18.0229 -18.0229 -17.9561 -17.9561 2.7269 2.7269 9.8334 9.8334 12.1369 12.1369 13.0552 13.0552 13.0994 13.0994 13.8986 13.8986 16.0076 16.0076 18.7413 18.7413 19.4200 19.4200 19.5102 19.5102 19.7692 19.7692 k = 0.0000 0.0000 0.1432 ( 1641 PWs) bands (ev): -44.6506 -44.6506 -20.4745 -20.4745 -18.0233 -18.0233 -17.9584 -17.9584 2.7567 2.7567 9.8596 9.8596 12.0674 12.0674 12.9994 12.9994 13.0941 13.0941 13.9734 13.9734 15.9068 15.9068 18.6792 18.6792 19.4428 19.4428 19.5110 19.5110 19.7794 19.7794 k = 0.0000 0.0000 0.1575 ( 1641 PWs) bands (ev): -44.6502 -44.6502 -20.4757 -20.4757 -18.0238 -18.0238 -17.9610 -17.9610 2.7896 2.7896 9.8883 9.8883 11.9982 11.9982 12.9274 12.9274 13.1012 13.1012 14.0472 14.0472 15.7995 15.7995 18.6184 18.6184 19.4453 19.4453 19.5337 19.5337 19.7906 19.7906 k = 0.0000 0.0000 0.1718 ( 1637 PWs) bands (ev): -44.6497 -44.6497 -20.4769 -20.4769 -18.0244 -18.0244 -17.9638 -17.9638 2.8255 2.8255 9.9194 9.9194 11.9297 11.9297 12.8497 12.8497 13.1109 13.1109 14.1193 14.1193 15.6864 15.6864 18.5600 18.5600 19.4390 19.4390 19.5658 19.5658 19.8027 19.8027 k = 0.0000 0.0000 0.1861 ( 1633 PWs) bands (ev): -44.6492 -44.6492 -20.4782 -20.4782 -18.0250 -18.0250 -17.9668 -17.9668 2.8644 2.8644 9.9525 9.9525 11.8622 11.8622 12.7681 12.7681 13.1221 13.1221 14.1889 14.1889 15.5687 15.5687 18.5050 18.5050 19.4319 19.4319 19.5986 19.5986 19.8155 19.8155 k = 0.0000 0.0000 0.2004 ( 1633 PWs) bands (ev): -44.6487 -44.6487 -20.4796 -20.4796 -18.0256 -18.0256 -17.9700 -17.9700 2.9063 2.9063 9.9878 9.9878 11.7958 11.7958 12.6832 12.6832 13.1346 13.1346 14.2555 14.2555 15.4470 15.4470 18.4543 18.4543 19.4260 19.4260 19.6294 19.6294 19.8285 19.8285 k = 0.0000 0.0000 0.2147 ( 1629 PWs) bands (ev): -44.6481 -44.6481 -20.4811 -20.4811 -18.0263 -18.0263 -17.9734 -17.9734 2.9512 2.9512 10.0248 10.0248 11.7308 11.7308 12.5957 12.5957 13.1481 13.1481 14.3182 14.3182 15.3224 15.3224 18.4086 18.4086 19.4219 19.4219 19.6571 19.6571 19.8417 19.8417 k = 0.0000 0.0000 0.2291 ( 1629 PWs) bands (ev): -44.6476 -44.6476 -20.4828 -20.4828 -18.0270 -18.0270 -17.9770 -17.9770 2.9989 2.9989 10.0636 10.0636 11.6673 11.6673 12.5060 12.5060 13.1628 13.1628 14.3766 14.3766 15.1957 15.1957 18.3685 18.3685 19.4196 19.4196 19.6814 19.6814 19.8548 19.8548 k = 0.0000 0.0000 0.2434 ( 1625 PWs) bands (ev): -44.6470 -44.6470 -20.4844 -20.4844 -18.0277 -18.0277 -17.9807 -17.9807 3.0496 3.0496 10.1038 10.1038 11.6055 11.6055 12.4147 12.4147 13.1785 13.1785 14.4299 14.4299 15.0676 15.0676 18.3349 18.3349 19.4190 19.4190 19.7022 19.7022 19.8675 19.8675 k = 0.0000 0.0000 0.2577 ( 1617 PWs) bands (ev): -44.6462 -44.6462 -20.4862 -20.4862 -18.0285 -18.0285 -17.9846 -17.9846 3.1031 3.1031 10.1451 10.1451 11.5453 11.5453 12.3220 12.3220 13.1954 13.1954 14.4777 14.4777 14.9390 14.9390 18.3082 18.3082 19.4199 19.4199 19.7196 19.7196 19.8795 19.8795 k = 0.0000 0.0000 0.2720 ( 1617 PWs) bands (ev): -44.6456 -44.6456 -20.4880 -20.4880 -18.0293 -18.0293 -17.9887 -17.9887 3.1594 3.1594 10.1874 10.1874 11.4870 11.4870 12.2284 12.2284 13.2133 13.2133 14.5194 14.5194 14.8106 14.8106 18.2889 18.2889 19.4220 19.4220 19.7337 19.7337 19.8907 19.8907 k = 0.0000 0.0000 0.2863 ( 1617 PWs) bands (ev): -44.6450 -44.6450 -20.4899 -20.4899 -18.0301 -18.0301 -17.9929 -17.9929 3.2184 3.2184 10.2303 10.2303 11.4306 11.4306 12.1341 12.1341 13.2324 13.2324 14.5545 14.5545 14.6834 14.6834 18.2774 18.2774 19.4252 19.4252 19.7447 19.7447 19.9008 19.9008 k = 0.0000 0.0000 0.3006 ( 1619 PWs) bands (ev): -44.6444 -44.6444 -20.4920 -20.4920 -18.0310 -18.0310 -17.9973 -17.9973 3.2802 3.2802 10.2733 10.2733 11.3761 11.3761 12.0394 12.0394 13.2526 13.2526 14.5552 14.5552 14.5854 14.5854 18.2739 18.2739 19.4292 19.4292 19.7529 19.7529 19.9096 19.9096 k = 0.0000 0.0000 0.3150 ( 1619 PWs) bands (ev): -44.6437 -44.6437 -20.4940 -20.4940 -18.0319 -18.0319 -18.0018 -18.0018 3.3446 3.3446 10.3162 10.3162 11.3236 11.3236 11.9446 11.9446 13.2739 13.2739 14.4335 14.4335 14.6055 14.6055 18.2784 18.2784 19.4337 19.4337 19.7586 19.7586 19.9168 19.9168 k = 0.0000 0.0000 0.3293 ( 1627 PWs) bands (ev): -44.6432 -44.6432 -20.4962 -20.4962 -18.0329 -18.0329 -18.0065 -18.0065 3.4117 3.4117 10.3583 10.3583 11.2731 11.2731 11.8500 11.8500 13.2963 13.2963 14.3135 14.3135 14.6199 14.6199 18.2910 18.2910 19.4384 19.4384 19.7619 19.7619 19.9222 19.9222 k = 0.0000 0.0000 0.3436 ( 1627 PWs) bands (ev): -44.6425 -44.6425 -20.4984 -20.4984 -18.0339 -18.0339 -18.0112 -18.0112 3.4813 3.4813 10.3993 10.3993 11.2247 11.2247 11.7557 11.7557 13.3198 13.3198 14.1974 14.1974 14.6274 14.6274 18.3115 18.3115 19.4430 19.4430 19.7631 19.7631 19.9257 19.9257 k = 0.0000 0.0000 0.3579 ( 1627 PWs) bands (ev): -44.6417 -44.6417 -20.5006 -20.5006 -18.0349 -18.0349 -18.0160 -18.0160 3.5535 3.5535 10.4385 10.4385 11.1784 11.1784 11.6620 11.6620 13.3444 13.3444 14.0861 14.0861 14.6281 14.6281 18.3394 18.3394 19.4472 19.4472 19.7623 19.7623 19.9271 19.9271 k = 0.0000 0.0000 0.3722 ( 1623 PWs) bands (ev): -44.6409 -44.6409 -20.5029 -20.5029 -18.0359 -18.0359 -18.0208 -18.0208 3.6281 3.6281 10.4753 10.4753 11.1341 11.1341 11.5689 11.5689 13.3700 13.3700 13.9803 13.9803 14.6223 14.6223 18.3744 18.3744 19.4508 19.4508 19.7598 19.7598 19.9261 19.9261 k = 0.0000 0.0000 0.3865 ( 1624 PWs) bands (ev): -44.6402 -44.6402 -20.5052 -20.5052 -18.0371 -18.0371 -18.0256 -18.0256 3.7051 3.7051 10.5091 10.5091 11.0920 11.0920 11.4768 11.4768 13.3966 13.3966 13.8809 13.8809 14.6102 14.6102 18.4158 18.4158 19.4532 19.4532 19.7557 19.7557 19.9227 19.9227 k = 0.0000 0.0000 0.4009 ( 1620 PWs) bands (ev): -44.6393 -44.6393 -20.5076 -20.5076 -18.0384 -18.0384 -18.0302 -18.0302 3.7844 3.7844 10.5391 10.5391 11.0521 11.0521 11.3857 11.3857 13.4238 13.4238 13.7889 13.7889 14.5923 14.5923 18.4630 18.4630 19.4542 19.4542 19.7501 19.7501 19.9167 19.9167 k = 0.0000 0.0000 0.4152 ( 1620 PWs) bands (ev): -44.6386 -44.6386 -20.5099 -20.5099 -18.0404 -18.0404 -18.0343 -18.0343 3.8660 3.8660 10.5646 10.5646 11.0143 11.0143 11.2957 11.2957 13.4512 13.4512 13.7056 13.7056 14.5691 14.5691 18.5151 18.5151 19.4533 19.4533 19.7430 19.7430 19.9079 19.9079 k = 0.0000 0.0000 0.4295 ( 1620 PWs) bands (ev): -44.6378 -44.6378 -20.5124 -20.5124 -18.0436 -18.0436 -18.0372 -18.0372 3.9497 3.9497 10.5849 10.5849 10.9786 10.9786 11.2071 11.2071 13.4769 13.4769 13.6335 13.6335 14.5410 14.5410 18.5713 18.5713 19.4501 19.4501 19.7345 19.7345 19.8964 19.8964 k = 0.0000 0.0000 0.4438 ( 1620 PWs) bands (ev): -44.6370 -44.6370 -20.5148 -20.5148 -18.0480 -18.0480 -18.0390 -18.0390 4.0355 4.0355 10.5994 10.5994 10.9449 10.9449 11.1198 11.1198 13.4919 13.4919 13.5820 13.5820 14.5087 14.5087 18.6309 18.6309 19.4438 19.4438 19.7245 19.7245 19.8821 19.8821 k = 0.0000 0.0000 0.4581 ( 1616 PWs) bands (ev): -44.6361 -44.6361 -20.5172 -20.5172 -18.0529 -18.0529 -18.0402 -18.0402 4.1234 4.1234 10.6075 10.6075 10.9133 10.9133 11.0342 11.0342 13.4721 13.4721 13.5759 13.5759 14.4725 14.4725 18.6928 18.6928 19.4339 19.4339 19.7131 19.7131 19.8649 19.8649 k = 0.0000 0.0000 0.4724 ( 1616 PWs) bands (ev): -44.6353 -44.6353 -20.5197 -20.5197 -18.0579 -18.0579 -18.0414 -18.0414 4.2132 4.2132 10.6089 10.6089 10.8834 10.8834 10.9507 10.9507 13.4328 13.4328 13.5998 13.5998 14.4329 14.4329 18.7562 18.7562 19.4196 19.4196 19.7003 19.7003 19.8448 19.8448 k = 0.0000 0.0000 0.4868 ( 1618 PWs) bands (ev): -44.6345 -44.6345 -20.5222 -20.5222 -18.0631 -18.0631 -18.0424 -18.0424 4.3048 4.3048 10.6033 10.6033 10.8509 10.8509 10.8735 10.8735 13.3963 13.3963 13.6314 13.6314 14.3905 14.3905 18.8202 18.8202 19.3997 19.3997 19.6859 19.6859 19.8219 19.8219 k = 0.0000 0.0000 0.5011 ( 1618 PWs) bands (ev): -44.6337 -44.6337 -20.5247 -20.5247 -18.0682 -18.0682 -18.0434 -18.0434 4.3982 4.3982 10.5907 10.5907 10.7832 10.7832 10.8353 10.8353 13.3671 13.3671 13.6659 13.6659 14.3457 14.3457 18.8840 18.8840 19.3732 19.3732 19.6700 19.6700 19.7963 19.7963 k = 0.0000 0.0000 0.5154 ( 1618 PWs) bands (ev): -44.6329 -44.6329 -20.5271 -20.5271 -18.0734 -18.0734 -18.0444 -18.0444 4.4931 4.4931 10.5712 10.5712 10.7054 10.7054 10.8112 10.8112 13.3459 13.3459 13.7020 13.7020 14.2989 14.2989 18.9465 18.9465 19.3386 19.3386 19.6527 19.6527 19.7681 19.7681 k = 0.0000 0.0000 0.5297 ( 1618 PWs) bands (ev): -44.6321 -44.6321 -20.5296 -20.5296 -18.0785 -18.0785 -18.0454 -18.0454 4.5896 4.5896 10.5452 10.5452 10.6288 10.6288 10.7900 10.7900 13.3320 13.3320 13.7394 13.7394 14.2505 14.2505 19.0070 19.0070 19.2947 19.2947 19.6341 19.6341 19.7376 19.7376 k = 0.0000 0.0000 0.5440 ( 1614 PWs) bands (ev): -44.6312 -44.6312 -20.5320 -20.5320 -18.0835 -18.0835 -18.0463 -18.0463 4.6874 4.6874 10.5126 10.5126 10.5548 10.5548 10.7710 10.7710 13.3245 13.3245 13.7777 13.7777 14.2010 14.2010 19.0645 19.0645 19.2405 19.2405 19.6142 19.6142 19.7053 19.7053 k = 0.0000 0.0000 0.5583 ( 1618 PWs) bands (ev): -44.6305 -44.6305 -20.5345 -20.5345 -18.0886 -18.0886 -18.0472 -18.0472 4.7865 4.7865 10.4688 10.4688 10.4890 10.4890 10.7541 10.7541 13.3223 13.3223 13.8165 13.8165 14.1510 14.1510 19.1177 19.1177 19.1768 19.1768 19.5927 19.5927 19.6720 19.6720 k = 0.0000 0.0000 0.5727 ( 1622 PWs) bands (ev): -44.6298 -44.6298 -20.5369 -20.5369 -18.0936 -18.0936 -18.0481 -18.0481 4.8866 4.8866 10.4043 10.4043 10.4418 10.4418 10.7391 10.7391 13.3239 13.3239 13.8552 13.8552 14.1011 14.1011 19.0997 19.0997 19.1705 19.1705 19.5686 19.5686 19.6391 19.6391 k = 0.0000 0.0000 0.5870 ( 1626 PWs) bands (ev): -44.6291 -44.6291 -20.5393 -20.5393 -18.0985 -18.0985 -18.0490 -18.0490 4.9876 4.9876 10.3361 10.3361 10.3971 10.3971 10.7261 10.7261 13.3278 13.3278 13.8918 13.8918 14.0537 14.0537 19.0189 19.0189 19.2147 19.2147 19.5400 19.5400 19.6089 19.6089 k = 0.0000 0.0000 0.6013 ( 1624 PWs) bands (ev): -44.6282 -44.6282 -20.5417 -20.5417 -18.1034 -18.1034 -18.0498 -18.0498 5.0894 5.0894 10.2691 10.2691 10.3510 10.3510 10.7149 10.7149 13.3323 13.3323 13.9179 13.9179 14.0171 14.0171 18.9329 18.9329 19.2542 19.2542 19.5055 19.5055 19.5831 19.5831 k = 0.0000 0.0000 0.6156 ( 1628 PWs) bands (ev): -44.6276 -44.6276 -20.5440 -20.5440 -18.1082 -18.1082 -18.0507 -18.0507 5.1916 5.1916 10.2041 10.2041 10.3038 10.3038 10.7056 10.7056 13.3359 13.3359 13.9078 13.9078 14.0174 14.0174 18.8454 18.8454 19.2878 19.2878 19.4656 19.4656 19.5615 19.5615 k = 0.0000 0.0000 0.6299 ( 1636 PWs) bands (ev): -44.6270 -44.6270 -20.5463 -20.5463 -18.1129 -18.1129 -18.0515 -18.0515 5.2942 5.2942 10.1410 10.1410 10.2562 10.2562 10.6979 10.6979 13.3368 13.3368 13.8671 13.8671 14.0490 14.0490 18.7596 18.7596 19.3150 19.3150 19.4222 19.4222 19.5429 19.5429 k = 0.0000 0.0000 0.6442 ( 1636 PWs) bands (ev): -44.6262 -44.6262 -20.5486 -20.5486 -18.1174 -18.1174 -18.0523 -18.0523 5.3968 5.3968 10.0801 10.0801 10.2090 10.2090 10.6920 10.6920 13.3337 13.3337 13.8185 13.8185 14.0892 14.0892 18.6784 18.6784 19.3330 19.3330 19.3790 19.3790 19.5262 19.5262 k = 0.0000 0.0000 0.6586 ( 1644 PWs) bands (ev): -44.6257 -44.6257 -20.5508 -20.5508 -18.1219 -18.1219 -18.0530 -18.0530 5.4992 5.4992 10.0214 10.0214 10.1630 10.1630 10.6876 10.6876 13.3249 13.3249 13.7680 13.7680 14.1321 14.1321 18.6041 18.6041 19.3158 19.3158 19.3629 19.3629 19.5108 19.5108 k = 0.0000 0.0000 0.6729 ( 1644 PWs) bands (ev): -44.6250 -44.6250 -20.5529 -20.5529 -18.1262 -18.1262 -18.0538 -18.0538 5.6012 5.6012 9.9650 9.9650 10.1188 10.1188 10.6848 10.6848 13.3094 13.3094 13.7172 13.7172 14.1762 14.1762 18.5386 18.5386 19.2685 19.2685 19.3695 19.3695 19.4963 19.4963 k = 0.0000 0.0000 0.6872 ( 1636 PWs) bands (ev): -44.6241 -44.6241 -20.5549 -20.5549 -18.1303 -18.1303 -18.0544 -18.0544 5.7023 5.7023 9.9107 9.9107 10.0773 10.0773 10.6834 10.6834 13.2860 13.2860 13.6667 13.6667 14.2209 14.2209 18.4834 18.4834 19.2170 19.2170 19.3737 19.3737 19.4824 19.4824 k = 0.0000 0.0000 0.7015 ( 1636 PWs) bands (ev): -44.6235 -44.6235 -20.5569 -20.5569 -18.1344 -18.1344 -18.0551 -18.0551 5.8023 5.8023 9.8587 9.8587 10.0389 10.0389 10.6834 10.6834 13.2540 13.2540 13.6168 13.6168 14.2660 14.2660 18.4394 18.4394 19.1641 19.1641 19.3736 19.3736 19.4689 19.4689 k = 0.0000 0.0000 0.7158 ( 1630 PWs) bands (ev): -44.6227 -44.6227 -20.5588 -20.5588 -18.1382 -18.1382 -18.0557 -18.0557 5.9008 5.9008 9.8091 9.8091 10.0044 10.0044 10.6846 10.6846 13.2127 13.2127 13.5678 13.5678 14.3112 14.3112 18.4071 18.4071 19.1105 19.1105 19.3694 19.3694 19.4557 19.4557 k = 0.0000 0.0000 0.7301 ( 1626 PWs) bands (ev): -44.6220 -44.6220 -20.5606 -20.5606 -18.1420 -18.1420 -18.0563 -18.0563 5.9974 5.9974 9.7617 9.7617 9.9744 9.9744 10.6870 10.6870 13.1619 13.1619 13.5198 13.5198 14.3563 14.3563 18.3865 18.3865 19.0565 19.0565 19.3615 19.3615 19.4426 19.4426 k = 0.0000 0.0000 0.7445 ( 1628 PWs) bands (ev): -44.6214 -44.6214 -20.5624 -20.5624 -18.1456 -18.1456 -18.0569 -18.0569 6.0917 6.0917 9.7167 9.7167 9.9493 9.9493 10.6905 10.6905 13.1018 13.1018 13.4731 13.4731 14.4011 14.4011 18.3772 18.3772 19.0026 19.0026 19.3504 19.3504 19.4298 19.4298 k = 0.0000 0.0000 0.7588 ( 1626 PWs) bands (ev): -44.6208 -44.6208 -20.5641 -20.5641 -18.1490 -18.1490 -18.0574 -18.0574 6.1833 6.1833 9.6740 9.6740 9.9296 9.9296 10.6949 10.6949 13.0325 13.0325 13.4277 13.4277 14.4455 14.4455 18.3784 18.3784 18.9490 18.9490 19.3364 19.3364 19.4175 19.4175 k = 0.0000 0.0000 0.7731 ( 1622 PWs) bands (ev): -44.6202 -44.6202 -20.5657 -20.5657 -18.1522 -18.1522 -18.0579 -18.0579 6.2717 6.2717 9.6337 9.6337 9.9159 9.9159 10.7001 10.7001 12.9547 12.9547 13.3838 13.3838 14.4893 14.4893 18.3890 18.3890 18.8960 18.8960 19.3200 19.3200 19.4058 19.4058 k = 0.0000 0.0000 0.7874 ( 1626 PWs) bands (ev): -44.6198 -44.6198 -20.5673 -20.5673 -18.1553 -18.1553 -18.0584 -18.0584 6.3565 6.3565 9.5958 9.5958 9.9085 9.9085 10.7060 10.7060 12.8691 12.8691 13.3416 13.3416 14.5322 14.5322 18.4078 18.4078 18.8440 18.8440 19.3015 19.3015 19.3949 19.3949 k = 0.0000 0.0000 0.8017 ( 1632 PWs) bands (ev): -44.6194 -44.6194 -20.5688 -20.5688 -18.1583 -18.1583 -18.0589 -18.0589 6.4371 6.4371 9.5603 9.5603 9.9078 9.9078 10.7124 10.7124 12.7766 12.7766 13.3011 13.3011 14.5741 14.5741 18.4330 18.4330 18.7934 18.7934 19.2815 19.2815 19.3847 19.3847 k = 0.0000 0.0000 0.8160 ( 1632 PWs) bands (ev): -44.6190 -44.6190 -20.5702 -20.5702 -18.1611 -18.1611 -18.0593 -18.0593 6.5133 6.5133 9.5272 9.5272 9.9139 9.9139 10.7193 10.7193 12.6782 12.6782 13.2627 13.2627 14.6146 14.6146 18.4630 18.4630 18.7446 18.7446 19.2606 19.2606 19.3754 19.3754 k = 0.0000 0.0000 0.8304 ( 1628 PWs) bands (ev): -44.6185 -44.6185 -20.5714 -20.5714 -18.1636 -18.1636 -18.0597 -18.0597 6.5846 6.5846 9.4965 9.4965 9.9272 9.9272 10.7265 10.7265 12.5751 12.5751 13.2263 13.2263 14.6537 14.6537 18.4958 18.4958 18.6981 18.6981 19.2391 19.2391 19.3670 19.3670 k = 0.0000 0.0000 0.8447 ( 1628 PWs) bands (ev): -44.6181 -44.6181 -20.5726 -20.5726 -18.1659 -18.1659 -18.0601 -18.0601 6.6507 6.6507 9.4682 9.4682 9.9474 9.9474 10.7339 10.7339 12.4684 12.4684 13.1921 13.1921 14.6910 14.6910 18.5290 18.5290 18.6553 18.6553 19.2177 19.2177 19.3592 19.3592 k = 0.0000 0.0000 0.8590 ( 1624 PWs) bands (ev): -44.6176 -44.6176 -20.5736 -20.5736 -18.1681 -18.1681 -18.0604 -18.0604 6.7112 6.7112 9.4423 9.4423 9.9745 9.9745 10.7413 10.7413 12.3594 12.3594 13.1603 13.1603 14.7262 14.7262 18.5560 18.5560 18.6213 18.6213 19.1967 19.1967 19.3523 19.3523 k = 0.0000 0.0000 0.8733 ( 1624 PWs) bands (ev): -44.6173 -44.6173 -20.5746 -20.5746 -18.1700 -18.1700 -18.0607 -18.0607 6.7660 6.7660 9.4189 9.4189 10.0081 10.0081 10.7485 10.7485 12.2496 12.2496 13.1310 13.1310 14.7592 14.7592 18.5519 18.5519 18.6203 18.6203 19.1765 19.1765 19.3461 19.3461 k = 0.0000 0.0000 0.8876 ( 1624 PWs) bands (ev): -44.6170 -44.6170 -20.5755 -20.5755 -18.1718 -18.1718 -18.0609 -18.0609 6.8149 6.8149 9.3979 9.3979 10.0474 10.0474 10.7555 10.7555 12.1403 12.1403 13.1043 13.1043 14.7896 14.7896 18.5225 18.5225 18.6456 18.6456 19.1575 19.1575 19.3405 19.3405 k = 0.0000 0.0000 0.9019 ( 1624 PWs) bands (ev): -44.6167 -44.6167 -20.5763 -20.5763 -18.1734 -18.1734 -18.0612 -18.0612 6.8579 6.8579 9.3794 9.3794 10.0915 10.0915 10.7621 10.7621 12.0332 12.0332 13.0804 13.0804 14.8171 14.8171 18.4914 18.4914 18.6734 18.6734 19.1400 19.1400 19.3357 19.3357 k = 0.0000 0.0000 0.9163 ( 1628 PWs) bands (ev): -44.6166 -44.6166 -20.5770 -20.5770 -18.1748 -18.1748 -18.0614 -18.0614 6.8949 6.8949 9.3634 9.3634 10.1390 10.1390 10.7682 10.7682 11.9303 11.9303 13.0595 13.0595 14.8416 14.8416 18.4628 18.4628 18.6989 18.6989 19.1242 19.1242 19.3316 19.3316 k = 0.0000 0.0000 0.9306 ( 1628 PWs) bands (ev): -44.6164 -44.6164 -20.5776 -20.5776 -18.1759 -18.1759 -18.0616 -18.0616 6.9260 6.9260 9.3498 9.3498 10.1879 10.1879 10.7736 10.7736 11.8340 11.8340 13.0415 13.0415 14.8628 14.8628 18.4377 18.4377 18.7211 18.7211 19.1104 19.1104 19.3281 19.3281 k = 0.0000 0.0000 0.9449 ( 1628 PWs) bands (ev): -44.6162 -44.6162 -20.5781 -20.5781 -18.1769 -18.1769 -18.0617 -18.0617 6.9512 6.9512 9.3387 9.3387 10.2357 10.2357 10.7783 10.7783 11.7469 11.7469 13.0266 13.0266 14.8805 14.8805 18.4167 18.4167 18.7396 18.7396 19.0988 19.0988 19.3253 19.3253 k = 0.0000 0.0000 0.9592 ( 1628 PWs) bands (ev): -44.6161 -44.6161 -20.5785 -20.5785 -18.1776 -18.1776 -18.0618 -18.0618 6.9707 6.9707 9.3300 9.3300 10.2791 10.2791 10.7822 10.7822 11.6726 11.6726 13.0150 13.0150 14.8944 14.8944 18.4001 18.4001 18.7540 18.7540 19.0896 19.0896 19.3231 19.3231 k = 0.0000 0.0000 0.9735 ( 1628 PWs) bands (ev): -44.6160 -44.6160 -20.5787 -20.5787 -18.1782 -18.1782 -18.0619 -18.0619 6.9846 6.9846 9.3238 9.3238 10.3145 10.3145 10.7851 10.7851 11.6151 11.6151 13.0066 13.0066 14.9045 14.9045 18.3881 18.3881 18.7643 18.7643 19.0829 19.0829 19.3215 19.3215 k = 0.0000 0.0000 0.9878 ( 1622 PWs) bands (ev): -44.6158 -44.6158 -20.5789 -20.5789 -18.1785 -18.1785 -18.0619 -18.0619 6.9928 6.9928 9.3201 9.3201 10.3378 10.3378 10.7870 10.7870 11.5784 11.5784 13.0015 13.0015 14.9106 14.9106 18.3808 18.3808 18.7705 18.7705 19.0788 19.0788 19.3206 19.3206 k = 0.0000 0.0000 1.0022 ( 1622 PWs) bands (ev): -44.6158 -44.6158 -20.5789 -20.5789 -18.1786 -18.1786 -18.0619 -18.0619 6.9956 6.9956 9.3189 9.3189 10.3460 10.3460 10.7876 10.7876 11.5658 11.5658 12.9999 12.9999 14.9126 14.9126 18.3784 18.3784 18.7726 18.7726 19.0774 19.0774 19.3203 19.3203 k = 0.0000 0.0000 1.0022 ( 1622 PWs) bands (ev): -44.6158 -44.6158 -20.5789 -20.5789 -18.1786 -18.1786 -18.0619 -18.0619 6.9956 6.9956 9.3189 9.3189 10.3460 10.3460 10.7876 10.7876 11.5658 11.5658 12.9999 12.9999 14.9126 14.9126 18.3784 18.3784 18.7726 18.7726 19.0774 19.0774 19.3203 19.3203 k =-0.0069 0.0120 1.0022 ( 1626 PWs) bands (ev): -44.6159 -44.6159 -20.5789 -20.5789 -18.1785 -18.1785 -18.0619 -18.0619 6.9967 6.9967 9.3035 9.3035 10.3469 10.3469 10.8047 10.8047 11.5659 11.5659 13.0007 13.0007 14.9076 14.9076 18.3734 18.3734 18.7712 18.7712 19.0333 19.0333 19.3676 19.3676 k =-0.0138 0.0240 1.0022 ( 1626 PWs) bands (ev): -44.6160 -44.6160 -20.5787 -20.5787 -18.1782 -18.1782 -18.0619 -18.0619 7.0002 7.0002 9.2593 9.2593 10.3495 10.3495 10.8542 10.8542 11.5661 11.5661 13.0034 13.0034 14.8924 14.8924 18.3587 18.3587 18.7667 18.7667 18.9461 18.9461 19.4647 19.4647 k =-0.0207 0.0360 1.0022 ( 1634 PWs) bands (ev): -44.6162 -44.6162 -20.5786 -20.5786 -18.1777 -18.1777 -18.0619 -18.0619 7.0060 7.0060 9.1914 9.1914 10.3537 10.3537 10.9311 10.9311 11.5665 11.5665 13.0078 13.0078 14.8675 14.8675 18.3347 18.3347 18.7556 18.7556 18.8536 18.8536 19.5773 19.5773 k =-0.0276 0.0480 1.0022 ( 1638 PWs) bands (ev): -44.6164 -44.6164 -20.5783 -20.5783 -18.1771 -18.1771 -18.0619 -18.0619 7.0140 7.0140 9.1055 9.1055 10.3595 10.3595 11.0297 11.0297 11.5670 11.5670 13.0140 13.0140 14.8335 14.8335 18.3020 18.3020 18.7154 18.7154 18.7870 18.7870 19.6968 19.6968 k =-0.0345 0.0600 1.0022 ( 1630 PWs) bands (ev): -44.6164 -44.6164 -20.5778 -20.5778 -18.1761 -18.1761 -18.0618 -18.0618 7.0243 7.0243 9.0070 9.0070 10.3668 10.3668 11.1446 11.1446 11.5675 11.5675 13.0219 13.0219 14.7910 14.7910 18.2616 18.2616 18.6305 18.6305 18.7643 18.7643 19.8206 19.8206 k =-0.0414 0.0720 1.0022 ( 1630 PWs) bands (ev): -44.6166 -44.6166 -20.5773 -20.5773 -18.1751 -18.1751 -18.0618 -18.0618 7.0367 7.0367 8.8998 8.8998 10.3756 10.3756 11.2719 11.2719 11.5679 11.5679 13.0316 13.0316 14.7410 14.7410 18.2143 18.2143 18.5367 18.5367 18.7507 18.7507 19.9477 19.9477 k =-0.0483 0.0840 1.0022 ( 1630 PWs) bands (ev): -44.6168 -44.6168 -20.5767 -20.5767 -18.1738 -18.1738 -18.0617 -18.0617 7.0513 7.0513 8.7868 8.7868 10.3859 10.3859 11.4085 11.4085 11.5680 11.5680 13.0430 13.0430 14.6845 14.6845 18.1612 18.1612 18.4434 18.4434 18.7373 18.7373 20.0776 20.0776 k =-0.0552 0.0959 1.0022 ( 1638 PWs) bands (ev): -44.6172 -44.6172 -20.5760 -20.5760 -18.1724 -18.1724 -18.0616 -18.0616 7.0679 7.0679 8.6701 8.6701 10.3977 10.3977 11.5521 11.5521 11.5679 11.5679 13.0562 13.0562 14.6226 14.6226 18.1032 18.1032 18.3524 18.3524 18.7225 18.7225 20.2100 20.2100 k =-0.0621 0.1079 1.0022 ( 1638 PWs) bands (ev): -44.6175 -44.6175 -20.5752 -20.5752 -18.1708 -18.1708 -18.0615 -18.0615 7.0864 7.0864 8.5512 8.5512 10.4110 10.4110 11.5667 11.5667 11.7017 11.7017 13.0711 13.0711 14.5564 14.5564 18.0412 18.0412 18.2642 18.2642 18.7061 18.7061 20.3446 20.3446 k =-0.0690 0.1199 1.0022 ( 1642 PWs) bands (ev): -44.6178 -44.6178 -20.5744 -20.5744 -18.1690 -18.1690 -18.0615 -18.0615 7.1068 7.1068 8.4311 8.4311 10.4257 10.4257 11.5649 11.5649 11.8554 11.8554 13.0877 13.0877 14.4871 14.4871 17.9762 17.9762 18.1791 18.1791 18.6879 18.6879 20.4813 20.4813 k =-0.0759 0.1319 1.0022 ( 1638 PWs) bands (ev): -44.6181 -44.6181 -20.5734 -20.5734 -18.1669 -18.1669 -18.0613 -18.0613 7.1289 7.1289 8.3107 8.3107 10.4420 10.4420 11.5621 11.5621 12.0127 12.0127 13.1060 13.1060 14.4159 14.4159 17.9088 17.9088 18.0975 18.0975 18.6677 18.6677 20.6199 20.6199 k =-0.0829 0.1439 1.0022 ( 1638 PWs) bands (ev): -44.6185 -44.6185 -20.5724 -20.5724 -18.1647 -18.1647 -18.0612 -18.0612 7.1525 7.1525 8.1904 8.1904 10.4598 10.4598 11.5579 11.5579 12.1727 12.1727 13.1260 13.1260 14.3439 14.3439 17.8398 17.8398 18.0194 18.0194 18.6457 18.6457 20.7602 20.7602 k =-0.0829 0.1439 1.0022 ( 1638 PWs) bands (ev): -44.6185 -44.6185 -20.5724 -20.5724 -18.1647 -18.1647 -18.0612 -18.0612 7.1525 7.1525 8.1904 8.1904 10.4598 10.4598 11.5579 11.5579 12.1727 12.1727 13.1260 13.1260 14.3439 14.3439 17.8398 17.8398 18.0194 18.0194 18.6457 18.6457 20.7602 20.7602 k =-0.0879 0.1528 0.9920 ( 1640 PWs) bands (ev): -44.6188 -44.6188 -20.5715 -20.5715 -18.1630 -18.1630 -18.0611 -18.0611 7.1695 7.1695 8.1026 8.1026 10.4684 10.4684 11.5614 11.5614 12.2916 12.2916 13.1428 13.1428 14.2901 14.2901 17.7890 17.7890 17.9650 17.9650 18.6285 18.6285 20.8647 20.8647 k =-0.0930 0.1616 0.9818 ( 1638 PWs) bands (ev): -44.6191 -44.6191 -20.5706 -20.5706 -18.1610 -18.1610 -18.0608 -18.0608 7.1849 7.1849 8.0162 8.0162 10.4668 10.4668 11.5790 11.5790 12.4101 12.4101 13.1629 13.1629 14.2350 14.2350 17.7395 17.7395 17.9144 17.9144 18.6109 18.6109 20.9700 20.9700 k =-0.0981 0.1704 0.9716 ( 1636 PWs) bands (ev): -44.6194 -44.6194 -20.5696 -20.5696 -18.1590 -18.1590 -18.0605 -18.0605 7.1985 7.1985 7.9313 7.9313 10.4553 10.4553 11.6102 11.6102 12.5275 12.5275 13.1867 13.1867 14.1789 14.1789 17.6914 17.6914 17.8678 17.8678 18.5932 18.5932 21.0759 21.0759 k =-0.1032 0.1793 0.9614 ( 1635 PWs) bands (ev): -44.6198 -44.6198 -20.5685 -20.5685 -18.1569 -18.1569 -18.0601 -18.0601 7.2105 7.2105 7.8479 7.8479 10.4350 10.4350 11.6538 11.6538 12.6426 12.6426 13.2149 13.2149 14.1224 14.1224 17.6450 17.6450 17.8256 17.8256 18.5756 18.5756 21.1819 21.1819 k =-0.1083 0.1881 0.9512 ( 1635 PWs) bands (ev): -44.6202 -44.6202 -20.5673 -20.5673 -18.1547 -18.1547 -18.0596 -18.0596 7.2209 7.2209 7.7663 7.7663 10.4073 10.4073 11.7079 11.7079 12.7538 12.7538 13.2488 13.2488 14.0659 14.0659 17.6006 17.6006 17.7880 17.7880 18.5585 18.5585 21.2871 21.2871 k =-0.1134 0.1969 0.9410 ( 1635 PWs) bands (ev): -44.6206 -44.6206 -20.5661 -20.5661 -18.1525 -18.1525 -18.0590 -18.0590 7.2297 7.2297 7.6865 7.6865 10.3738 10.3738 11.7707 11.7707 12.8587 12.8587 13.2904 13.2904 14.0097 14.0097 17.5585 17.5585 17.7553 17.7553 18.5419 18.5419 21.3886 21.3886 k =-0.1185 0.2058 0.9308 ( 1635 PWs) bands (ev): -44.6210 -44.6210 -20.5648 -20.5648 -18.1503 -18.1503 -18.0581 -18.0581 7.2370 7.2370 7.6085 7.6085 10.3359 10.3359 11.8405 11.8405 12.9542 12.9542 13.3422 13.3422 13.9543 13.9543 17.5188 17.5188 17.7279 17.7279 18.5261 18.5261 21.4669 21.4669 k =-0.1236 0.2146 0.9206 ( 1629 PWs) bands (ev): -44.6214 -44.6214 -20.5634 -20.5634 -18.1481 -18.1481 -18.0571 -18.0571 7.2427 7.2427 7.5324 7.5324 10.2949 10.2949 11.9158 11.9158 13.0373 13.0373 13.4067 13.4067 13.9003 13.9003 17.4819 17.4819 17.7062 17.7062 18.5111 18.5111 21.4516 21.4516 k =-0.1286 0.2235 0.9104 ( 1625 PWs) bands (ev): -44.6218 -44.6218 -20.5620 -20.5620 -18.1460 -18.1460 -18.0558 -18.0558 7.2468 7.2468 7.4584 7.4584 10.2516 10.2516 11.9952 11.9952 13.1068 13.1068 13.4845 13.4845 13.8482 13.8482 17.4480 17.4480 17.6904 17.6904 18.4972 18.4972 21.3868 21.3868 k =-0.1337 0.2323 0.9002 ( 1629 PWs) bands (ev): -44.6224 -44.6224 -20.5606 -20.5606 -18.1440 -18.1440 -18.0544 -18.0544 7.2491 7.2491 7.3868 7.3868 10.2069 10.2069 12.0776 12.0776 13.1640 13.1640 13.5722 13.5722 13.7996 13.7996 17.4173 17.4173 17.6809 17.6809 18.4845 18.4845 21.3109 21.3109 k =-0.1388 0.2411 0.8900 ( 1627 PWs) bands (ev): -44.6229 -44.6229 -20.5592 -20.5592 -18.1421 -18.1421 -18.0527 -18.0527 7.2485 7.2485 7.3188 7.3188 10.1613 10.1613 12.1620 12.1620 13.2119 13.2119 13.6582 13.6582 13.7631 13.7631 17.3901 17.3901 17.6781 17.6781 18.4731 18.4731 21.2296 21.2296 k =-0.1439 0.2500 0.8798 ( 1628 PWs) bands (ev): -44.6234 -44.6234 -20.5577 -20.5577 -18.1403 -18.1403 -18.0508 -18.0508 7.2317 7.2317 7.2676 7.2676 10.1154 10.1154 12.2476 12.2476 13.2536 13.2536 13.6771 13.6771 13.8009 13.8009 17.3666 17.3666 17.6823 17.6823 18.4632 18.4632 21.1450 21.1450 k =-0.1490 0.2588 0.8696 ( 1628 PWs) bands (ev): -44.6240 -44.6240 -20.5562 -20.5562 -18.1387 -18.1387 -18.0486 -18.0486 7.1754 7.1754 7.2570 7.2570 10.0694 10.0694 12.3337 12.3337 13.2912 13.2912 13.6414 13.6414 13.8980 13.8980 17.3470 17.3470 17.6939 17.6939 18.4550 18.4550 21.0582 21.0582 k =-0.1541 0.2676 0.8594 ( 1624 PWs) bands (ev): -44.6245 -44.6245 -20.5547 -20.5547 -18.1373 -18.1373 -18.0462 -18.0462 7.1129 7.1129 7.2534 7.2534 10.0237 10.0237 12.4195 12.4195 13.3258 13.3258 13.6014 13.6014 14.0024 14.0024 17.3314 17.3314 17.7131 17.7131 18.4486 18.4486 20.9698 20.9698 k =-0.1592 0.2765 0.8492 ( 1623 PWs) bands (ev): -44.6250 -44.6250 -20.5532 -20.5532 -18.1360 -18.1360 -18.0435 -18.0435 7.0515 7.0515 7.2498 7.2498 9.9785 9.9785 12.5046 12.5046 13.3584 13.3584 13.5628 13.5628 14.1076 14.1076 17.3200 17.3200 17.7401 17.7401 18.4442 18.4442 20.8804 20.8804 k =-0.1642 0.2853 0.8390 ( 1623 PWs) bands (ev): -44.6256 -44.6256 -20.5517 -20.5517 -18.1350 -18.1350 -18.0406 -18.0406 6.9919 6.9919 7.2456 7.2456 9.9338 9.9338 12.5883 12.5883 13.3891 13.3891 13.5267 13.5267 14.2116 14.2116 17.3128 17.3128 17.7753 17.7753 18.4422 18.4422 20.7906 20.7906 k =-0.1693 0.2941 0.8288 ( 1627 PWs) bands (ev): -44.6262 -44.6262 -20.5502 -20.5502 -18.1342 -18.1342 -18.0375 -18.0375 6.9343 6.9343 7.2406 7.2406 9.8900 9.8900 12.6702 12.6702 13.4180 13.4180 13.4937 13.4937 14.3137 14.3137 17.3098 17.3098 17.8187 17.8187 18.4428 18.4428 20.7007 20.7007 k =-0.1744 0.3030 0.8186 ( 1631 PWs) bands (ev): -44.6269 -44.6269 -20.5487 -20.5487 -18.1335 -18.1335 -18.0342 -18.0342 6.8789 6.8789 7.2347 7.2347 9.8470 9.8470 12.7499 12.7499 13.4415 13.4415 13.4677 13.4677 14.4131 14.4131 17.3109 17.3109 17.8705 17.8705 18.4462 18.4462 20.6112 20.6112 k =-0.1795 0.3118 0.8084 ( 1629 PWs) bands (ev): -44.6274 -44.6274 -20.5472 -20.5472 -18.1330 -18.1330 -18.0307 -18.0307 6.8257 6.8257 7.2282 7.2282 9.8050 9.8050 12.8269 12.8269 13.4302 13.4302 13.4781 13.4781 14.5094 14.5094 17.3158 17.3158 17.9307 17.9307 18.4529 18.4529 20.5224 20.5224 k =-0.1846 0.3207 0.7982 ( 1627 PWs) bands (ev): -44.6279 -44.6279 -20.5458 -20.5458 -18.1326 -18.1326 -18.0271 -18.0271 6.7747 6.7747 7.2211 7.2211 9.7641 9.7641 12.9009 12.9009 13.4069 13.4069 13.5024 13.5024 14.6025 14.6025 17.3244 17.3244 17.9991 17.9991 18.4632 18.4632 20.4346 20.4346 k =-0.1897 0.3295 0.7880 ( 1626 PWs) bands (ev): -44.6284 -44.6284 -20.5444 -20.5444 -18.1324 -18.1324 -18.0234 -18.0234 6.7259 6.7259 7.2134 7.2134 9.7243 9.7243 12.9715 12.9715 13.3854 13.3854 13.5264 13.5264 14.6920 14.6920 17.3362 17.3362 18.0757 18.0757 18.4775 18.4775 20.3481 20.3481 k =-0.1948 0.3383 0.7778 ( 1624 PWs) bands (ev): -44.6289 -44.6289 -20.5430 -20.5430 -18.1323 -18.1323 -18.0196 -18.0196 6.6794 6.6794 7.2053 7.2053 9.6858 9.6858 13.0384 13.0384 13.3668 13.3668 13.5492 13.5492 14.7779 14.7779 17.3508 17.3508 18.1601 18.1601 18.4964 18.4964 20.2634 20.2634 k =-0.1999 0.3472 0.7677 ( 1626 PWs) bands (ev): -44.6295 -44.6295 -20.5416 -20.5416 -18.1323 -18.1323 -18.0158 -18.0158 6.6352 6.6352 7.1968 7.1968 9.6486 9.6486 13.1012 13.1012 13.3513 13.3513 13.5708 13.5708 14.8601 14.8601 17.3677 17.3677 18.2520 18.2520 18.5202 18.5202 20.1808 20.1808 k =-0.2049 0.3560 0.7575 ( 1627 PWs) bands (ev): -44.6300 -44.6300 -20.5404 -20.5404 -18.1324 -18.1324 -18.0120 -18.0120 6.5934 6.5934 7.1881 7.1881 9.6127 9.6127 13.1592 13.1592 13.3393 13.3393 13.5909 13.5909 14.9385 14.9385 17.3861 17.3861 18.3506 18.3506 18.5496 18.5496 20.1006 20.1006 k =-0.2100 0.3648 0.7473 ( 1625 PWs) bands (ev): -44.6305 -44.6305 -20.5391 -20.5391 -18.1325 -18.1325 -18.0083 -18.0083 6.5538 6.5538 7.1792 7.1792 9.5784 9.5784 13.2108 13.2108 13.3321 13.3321 13.6096 13.6096 15.0132 15.0132 17.4055 17.4055 18.4551 18.4551 18.5854 18.5854 20.0232 20.0232 k =-0.2151 0.3737 0.7371 ( 1625 PWs) bands (ev): -44.6309 -44.6309 -20.5379 -20.5379 -18.1327 -18.1327 -18.0046 -18.0046 6.5166 6.5166 7.1703 7.1703 9.5456 9.5456 13.2514 13.2514 13.3343 13.3343 13.6269 13.6269 15.0841 15.0841 17.4252 17.4252 18.5617 18.5617 18.6307 18.6307 19.9490 19.9490 k =-0.2202 0.3825 0.7269 ( 1627 PWs) bands (ev): -44.6314 -44.6314 -20.5368 -20.5368 -18.1329 -18.1329 -18.0010 -18.0010 6.4817 6.4817 7.1614 7.1614 9.5145 9.5145 13.2726 13.2726 13.3539 13.3539 13.6428 13.6428 15.1513 15.1513 17.4447 17.4447 18.6492 18.6492 18.7063 18.7063 19.8785 19.8785 k =-0.2253 0.3913 0.7167 ( 1627 PWs) bands (ev): -44.6318 -44.6318 -20.5357 -20.5357 -18.1332 -18.1332 -17.9976 -17.9976 6.4492 6.4492 7.1527 7.1527 9.4850 9.4850 13.2779 13.2779 13.3874 13.3874 13.6573 13.6573 15.2147 15.2147 17.4634 17.4634 18.7086 18.7086 18.8202 18.8202 19.8123 19.8123 k =-0.2304 0.4002 0.7065 ( 1625 PWs) bands (ev): -44.6322 -44.6322 -20.5347 -20.5347 -18.1335 -18.1335 -17.9943 -17.9943 6.4190 6.4190 7.1442 7.1442 9.4574 9.4574 13.2778 13.2778 13.4240 13.4240 13.6703 13.6703 15.2743 15.2743 17.4809 17.4809 18.7655 18.7655 18.9455 18.9455 19.7509 19.7509 k =-0.2355 0.4090 0.6963 ( 1625 PWs) bands (ev): -44.6326 -44.6326 -20.5338 -20.5338 -18.1338 -18.1338 -17.9911 -17.9911 6.3912 6.3912 7.1360 7.1360 9.4317 9.4317 13.2767 13.2767 13.4593 13.4593 13.6821 13.6821 15.3300 15.3300 17.4970 17.4970 18.8244 18.8244 19.0759 19.0759 19.6951 19.6951 k =-0.2406 0.4179 0.6861 ( 1623 PWs) bands (ev): -44.6329 -44.6329 -20.5329 -20.5329 -18.1341 -18.1341 -17.9882 -17.9882 6.3659 6.3659 7.1283 7.1283 9.4079 9.4079 13.2756 13.2756 13.4919 13.4919 13.6926 13.6926 15.3817 15.3817 17.5115 17.5115 18.8847 18.8847 19.2100 19.2100 19.6459 19.6459 k =-0.2456 0.4267 0.6759 ( 1625 PWs) bands (ev): -44.6333 -44.6333 -20.5321 -20.5321 -18.1344 -18.1344 -17.9855 -17.9855 6.3429 6.3429 7.1210 7.1210 9.3861 9.3861 13.2749 13.2749 13.5216 13.5216 13.7019 13.7019 15.4292 15.4292 17.5242 17.5242 18.9444 18.9444 19.3467 19.3467 19.6045 19.6045 k =-0.2507 0.4355 0.6657 ( 1625 PWs) bands (ev): -44.6335 -44.6335 -20.5314 -20.5314 -18.1347 -18.1347 -17.9830 -17.9830 6.3223 6.3223 7.1143 7.1143 9.3664 9.3664 13.2747 13.2747 13.5480 13.5480 13.7101 13.7101 15.4724 15.4724 17.5353 17.5353 19.0009 19.0009 19.4853 19.4853 19.5728 19.5728 k =-0.2558 0.4444 0.6555 ( 1623 PWs) bands (ev): -44.6338 -44.6338 -20.5307 -20.5307 -18.1349 -18.1349 -17.9807 -17.9807 6.3041 6.3041 7.1082 7.1082 9.3489 9.3489 13.2748 13.2748 13.5713 13.5713 13.7171 13.7171 15.5112 15.5112 17.5447 17.5447 19.0507 19.0507 19.5509 19.5509 19.6268 19.6268 k =-0.2609 0.4532 0.6453 ( 1623 PWs) bands (ev): -44.6340 -44.6340 -20.5302 -20.5302 -18.1351 -18.1351 -17.9788 -17.9788 6.2884 6.2884 7.1029 7.1029 9.3336 9.3336 13.2751 13.2751 13.5913 13.5913 13.7232 13.7232 15.5453 15.5453 17.5525 17.5525 19.0907 19.0907 19.5434 19.5434 19.7674 19.7674 k =-0.2660 0.4620 0.6351 ( 1619 PWs) bands (ev): -44.6341 -44.6341 -20.5297 -20.5297 -18.1353 -18.1353 -17.9770 -17.9770 6.2750 6.2750 7.0982 7.0982 9.3205 9.3205 13.2757 13.2757 13.6082 13.6082 13.7282 13.7282 15.5746 15.5746 17.5589 17.5589 19.1188 19.1188 19.5485 19.5485 19.9087 19.9087 k =-0.2711 0.4709 0.6249 ( 1619 PWs) bands (ev): -44.6343 -44.6343 -20.5293 -20.5293 -18.1355 -18.1355 -17.9757 -17.9757 6.2641 6.2641 7.0943 7.0943 9.3098 9.3098 13.2762 13.2762 13.6219 13.6219 13.7324 13.7324 15.5988 15.5988 17.5639 17.5639 19.1354 19.1354 19.5635 19.5635 20.0497 20.0497 k =-0.2762 0.4797 0.6147 ( 1621 PWs) bands (ev): -44.6344 -44.6344 -20.5290 -20.5290 -18.1357 -18.1357 -17.9746 -17.9746 6.2556 6.2556 7.0913 7.0913 9.3014 9.3014 13.2768 13.2768 13.6325 13.6325 13.7356 13.7356 15.6179 15.6179 17.5677 17.5677 19.1436 19.1436 19.5833 19.5833 20.1901 20.1901 k =-0.2813 0.4886 0.6045 ( 1617 PWs) bands (ev): -44.6344 -44.6344 -20.5288 -20.5288 -18.1357 -18.1357 -17.9737 -17.9737 6.2495 6.2495 7.0891 7.0891 9.2954 9.2954 13.2772 13.2772 13.6400 13.6400 13.7378 13.7378 15.6316 15.6316 17.5704 17.5704 19.1466 19.1466 19.6022 19.6022 20.3292 20.3292 k =-0.2863 0.4974 0.5943 ( 1619 PWs) bands (ev): -44.6345 -44.6345 -20.5287 -20.5287 -18.1358 -18.1358 -17.9733 -17.9733 6.2459 6.2459 7.0878 7.0878 9.2918 9.2918 13.2775 13.2775 13.6446 13.6446 13.7392 13.7392 15.6398 15.6398 17.5720 17.5720 19.1474 19.1474 19.6155 19.6155 20.4664 20.4664 k =-0.2914 0.5062 0.5841 ( 1617 PWs) bands (ev): -44.6345 -44.6345 -20.5286 -20.5286 -18.1358 -18.1358 -17.9731 -17.9731 6.2447 6.2447 7.0873 7.0873 9.2906 9.2906 13.2776 13.2776 13.6461 13.6461 13.7397 13.7397 15.6426 15.6426 17.5725 17.5725 19.1474 19.1474 19.6203 19.6203 20.5820 20.5820 k =-0.2914 0.5062 0.5841 ( 1617 PWs) bands (ev): -44.6345 -44.6345 -20.5286 -20.5286 -18.1358 -18.1358 -17.9731 -17.9731 6.2447 6.2447 7.0873 7.0873 9.2906 9.2906 13.2776 13.2776 13.6461 13.6461 13.7397 13.7397 15.6426 15.6426 17.5725 17.5725 19.1474 19.1474 19.6203 19.6203 20.5820 20.5820 k =-0.2864 0.4975 0.5740 ( 1621 PWs) bands (ev): -44.6343 -44.6343 -20.5295 -20.5295 -18.1379 -18.1379 -17.9727 -17.9727 6.3321 6.3321 6.9814 6.9814 9.3593 9.3593 13.2266 13.2266 13.6302 13.6302 13.7162 13.7162 15.6172 15.6172 17.6269 17.6269 19.1652 19.1652 19.7356 19.7356 20.4632 20.4632 k =-0.2814 0.4888 0.5640 ( 1621 PWs) bands (ev): -44.6341 -44.6341 -20.5302 -20.5302 -18.1397 -18.1397 -17.9722 -17.9722 6.4213 6.4213 6.8694 6.8694 9.4370 9.4370 13.1721 13.1721 13.6171 13.6171 13.6951 13.6951 15.5887 15.5887 17.6777 17.6777 19.1883 19.1883 19.8531 19.8531 20.3458 20.3458 k =-0.2764 0.4800 0.5539 ( 1617 PWs) bands (ev): -44.6338 -44.6338 -20.5308 -20.5308 -18.1412 -18.1412 -17.9718 -17.9718 6.5117 6.5117 6.7536 6.7536 9.5217 9.5217 13.1144 13.1144 13.6065 13.6065 13.6764 13.6764 15.5574 15.5574 17.7249 17.7249 19.2155 19.2155 19.9728 19.9728 20.2302 20.2302 k =-0.2713 0.4713 0.5438 ( 1615 PWs) bands (ev): -44.6336 -44.6336 -20.5313 -20.5313 -18.1424 -18.1424 -17.9714 -17.9714 6.5936 6.5936 6.6451 6.6451 9.6121 9.6121 13.0537 13.0537 13.5985 13.5985 13.6601 13.6601 15.5231 15.5231 17.7687 17.7687 19.2455 19.2455 20.0947 20.0947 20.1167 20.1167 k =-0.2663 0.4626 0.5338 ( 1619 PWs) bands (ev): -44.6336 -44.6336 -20.5317 -20.5317 -18.1434 -18.1434 -17.9711 -17.9711 6.5068 6.5068 6.7052 6.7052 9.7069 9.7069 12.9905 12.9905 13.5928 13.5928 13.6465 13.6465 15.4861 15.4861 17.8090 17.8090 19.2772 19.2772 20.0053 20.0053 20.2188 20.2188 k =-0.2613 0.4539 0.5237 ( 1619 PWs) bands (ev): -44.6335 -44.6335 -20.5320 -20.5320 -18.1441 -18.1441 -17.9708 -17.9708 6.3849 6.3849 6.8009 6.8009 9.8052 9.8052 12.9251 12.9251 13.5891 13.5891 13.6360 13.6360 15.4465 15.4465 17.8459 17.8459 19.3093 19.3093 19.8962 19.8962 20.3445 20.3445 k =-0.2563 0.4451 0.5136 ( 1619 PWs) bands (ev): -44.6334 -44.6334 -20.5321 -20.5321 -18.1445 -18.1445 -17.9706 -17.9706 6.2614 6.2614 6.8994 6.8994 9.9060 9.9060 12.8581 12.8581 13.5866 13.5866 13.6292 13.6292 15.4043 15.4043 17.8794 17.8794 19.3408 19.3408 19.7895 19.7895 20.3895 20.3895 k =-0.2512 0.4364 0.5035 ( 1615 PWs) bands (ev): -44.6333 -44.6333 -20.5320 -20.5320 -18.1445 -18.1445 -17.9704 -17.9704 6.1375 6.1375 7.0001 7.0001 10.0087 10.0087 12.7899 12.7899 13.5847 13.5847 13.6268 13.6268 15.3597 15.3597 17.9094 17.9094 19.3710 19.3710 19.6853 19.6853 20.3769 20.3769 k =-0.2462 0.4277 0.4935 ( 1613 PWs) bands (ev): -44.6333 -44.6333 -20.5319 -20.5319 -18.1442 -18.1442 -17.9702 -17.9702 6.0139 6.0139 7.1026 7.1026 10.1124 10.1124 12.7210 12.7210 13.5826 13.5826 13.6295 13.6295 15.3130 15.3130 17.9356 17.9356 19.3992 19.3992 19.5839 19.5839 20.3683 20.3683 k =-0.2412 0.4189 0.4834 ( 1617 PWs) bands (ev): -44.6334 -44.6334 -20.5317 -20.5317 -18.1437 -18.1437 -17.9701 -17.9701 5.8908 5.8908 7.2069 7.2069 10.2164 10.2164 12.6519 12.6519 13.5806 13.5806 13.6369 13.6369 15.2643 15.2643 17.9579 17.9579 19.4245 19.4245 19.4861 19.4861 20.3639 20.3639 k =-0.2362 0.4102 0.4733 ( 1621 PWs) bands (ev): -44.6336 -44.6336 -20.5313 -20.5313 -18.1429 -18.1429 -17.9701 -17.9701 5.7686 5.7686 7.3131 7.3131 10.3200 10.3200 12.5834 12.5834 13.5792 13.5792 13.6486 13.6486 15.2138 15.2138 17.9759 17.9759 19.3870 19.3870 19.4518 19.4518 20.3633 20.3633 k =-0.2311 0.4015 0.4633 ( 1617 PWs) bands (ev): -44.6337 -44.6337 -20.5307 -20.5307 -18.1418 -18.1418 -17.9700 -17.9700 5.6475 5.6475 7.4210 7.4210 10.4223 10.4223 12.5162 12.5162 13.5788 13.5788 13.6640 13.6640 15.1618 15.1618 17.9894 17.9894 19.2949 19.2949 19.4733 19.4733 20.3665 20.3665 k =-0.2261 0.3928 0.4532 ( 1617 PWs) bands (ev): -44.6338 -44.6338 -20.5301 -20.5301 -18.1404 -18.1404 -17.9700 -17.9700 5.5277 5.5277 7.5306 7.5306 10.5223 10.5223 12.4512 12.4512 13.5796 13.5796 13.6829 13.6829 15.1083 15.1083 17.9980 17.9980 19.2050 19.2050 19.4943 19.4943 20.3730 20.3730 k =-0.2211 0.3840 0.4431 ( 1617 PWs) bands (ev): -44.6340 -44.6340 -20.5293 -20.5293 -18.1387 -18.1387 -17.9701 -17.9701 5.4094 5.4094 7.6419 7.6419 10.6189 10.6189 12.3894 12.3894 13.5816 13.5816 13.7051 13.7051 15.0536 15.0536 18.0017 18.0017 19.1182 19.1182 19.5146 19.5146 20.3826 20.3826 k =-0.2161 0.3753 0.4331 ( 1621 PWs) bands (ev): -44.6343 -44.6343 -20.5285 -20.5285 -18.1367 -18.1367 -17.9702 -17.9702 5.2926 5.2926 7.7549 7.7549 10.7106 10.7106 12.3322 12.3322 13.5849 13.5849 13.7305 13.7305 14.9980 14.9980 18.0002 18.0002 19.0346 19.0346 19.5348 19.5348 20.3949 20.3949 k =-0.2110 0.3666 0.4230 ( 1621 PWs) bands (ev): -44.6346 -44.6346 -20.5275 -20.5275 -18.1345 -18.1345 -17.9704 -17.9704 5.1776 5.1776 7.8696 7.8696 10.7955 10.7955 12.2813 12.2813 13.5895 13.5895 13.7590 13.7590 14.9416 14.9416 17.9938 17.9938 18.9544 18.9544 19.5556 19.5556 20.4098 20.4098 k =-0.2060 0.3578 0.4129 ( 1625 PWs) bands (ev): -44.6350 -44.6350 -20.5264 -20.5264 -18.1320 -18.1320 -17.9705 -17.9705 5.0644 5.0644 7.9858 7.9858 10.8716 10.8716 12.2386 12.2386 13.5952 13.5952 13.7906 13.7906 14.8846 14.8846 17.9826 17.9826 18.8776 18.8776 19.5775 19.5775 20.4269 20.4269 k =-0.2010 0.3491 0.4028 ( 1625 PWs) bands (ev): -44.6353 -44.6353 -20.5252 -20.5252 -18.1292 -18.1292 -17.9708 -17.9708 4.9531 4.9531 8.1035 8.1035 10.9364 10.9364 12.2065 12.2065 13.6020 13.6020 13.8252 13.8252 14.8273 14.8273 17.9671 17.9671 18.8044 18.8044 19.6009 19.6009 20.4459 20.4459 k =-0.1960 0.3404 0.3928 ( 1625 PWs) bands (ev): -44.6357 -44.6357 -20.5238 -20.5238 -18.1262 -18.1262 -17.9710 -17.9710 4.8438 4.8438 8.2228 8.2228 10.9874 10.9874 12.1873 12.1873 13.6097 13.6097 13.8628 13.8628 14.7697 14.7697 17.9479 17.9479 18.7349 18.7349 19.6261 19.6261 20.4665 20.4665 k =-0.1909 0.3317 0.3827 ( 1623 PWs) bands (ev): -44.6360 -44.6360 -20.5224 -20.5224 -18.1229 -18.1229 -17.9713 -17.9713 4.7365 4.7365 8.3436 8.3436 11.0223 11.0223 12.1831 12.1831 13.6183 13.6183 13.9035 13.9035 14.7120 14.7120 17.9259 17.9259 18.6692 18.6692 19.6532 19.6532 20.4887 20.4887 k =-0.1859 0.3229 0.3726 ( 1627 PWs) bands (ev): -44.6365 -44.6365 -20.5210 -20.5210 -18.1195 -18.1195 -17.9716 -17.9716 4.6314 4.6314 8.4657 8.4657 11.0400 11.0400 12.1947 12.1947 13.6276 13.6276 13.9470 13.9470 14.6545 14.6545 17.9018 17.9018 18.6075 18.6075 19.6821 19.6821 20.5119 20.5119 k =-0.1809 0.3142 0.3626 ( 1619 PWs) bands (ev): -44.6368 -44.6368 -20.5193 -20.5193 -18.1158 -18.1158 -17.9718 -17.9718 4.5285 4.5285 8.5892 8.5892 11.0409 11.0409 12.2214 12.2214 13.6374 13.6374 13.9934 13.9934 14.5973 14.5973 17.8768 17.8768 18.5498 18.5498 19.7127 19.7127 20.5362 20.5362 k =-0.1759 0.3055 0.3525 ( 1621 PWs) bands (ev): -44.6373 -44.6373 -20.5177 -20.5177 -18.1119 -18.1119 -17.9721 -17.9721 4.4278 4.4278 8.7141 8.7141 11.0267 11.0267 12.2615 12.2615 13.6477 13.6477 14.0426 14.0426 14.5405 14.5405 17.8518 17.8518 18.4962 18.4962 19.7449 19.7449 20.5612 20.5612 k =-0.1708 0.2968 0.3424 ( 1621 PWs) bands (ev): -44.6378 -44.6378 -20.5159 -20.5159 -18.1079 -18.1079 -17.9725 -17.9725 4.3294 4.3294 8.8401 8.8401 10.9999 10.9999 12.3119 12.3119 13.6583 13.6583 14.0946 14.0946 14.4844 14.4844 17.8279 17.8279 18.4470 18.4470 19.7784 19.7784 20.5867 20.5867 k =-0.1658 0.2880 0.3323 ( 1621 PWs) bands (ev): -44.6383 -44.6383 -20.5142 -20.5142 -18.1037 -18.1037 -17.9728 -17.9728 4.2333 4.2333 8.9673 8.9673 10.9633 10.9633 12.3696 12.3696 13.6690 13.6690 14.1491 14.1491 14.4293 14.4293 17.8062 17.8062 18.4021 18.4021 19.8129 19.8129 20.6125 20.6125 k =-0.1608 0.2793 0.3223 ( 1621 PWs) bands (ev): -44.6388 -44.6388 -20.5123 -20.5123 -18.0994 -18.0994 -17.9731 -17.9731 4.1397 4.1397 9.0956 9.0956 10.9193 10.9193 12.4319 12.4319 13.6797 13.6797 14.2054 14.2054 14.3758 14.3758 17.7876 17.7876 18.3618 18.3618 19.8480 19.8480 20.6385 20.6385 k =-0.1558 0.2706 0.3122 ( 1617 PWs) bands (ev): -44.6392 -44.6392 -20.5104 -20.5104 -18.0949 -18.0949 -17.9734 -17.9734 4.0484 4.0484 9.2249 9.2249 10.8699 10.8699 12.4964 12.4964 13.6902 13.6902 14.2587 14.2587 14.3290 14.3290 17.7730 17.7730 18.3262 18.3262 19.8835 19.8835 20.6645 20.6645 k =-0.1507 0.2618 0.3021 ( 1615 PWs) bands (ev): -44.6397 -44.6397 -20.5085 -20.5085 -18.0904 -18.0904 -17.9737 -17.9737 3.9597 3.9597 9.3552 9.3552 10.8170 10.8170 12.5612 12.5612 13.7004 13.7004 14.2557 14.2557 14.3420 14.3420 17.7634 17.7634 18.2953 18.2953 19.9191 19.9191 20.6903 20.6903 k =-0.1457 0.2531 0.2921 ( 1619 PWs) bands (ev): -44.6404 -44.6404 -20.5066 -20.5066 -18.0858 -18.0858 -17.9739 -17.9739 3.8735 3.8735 9.4862 9.4862 10.7615 10.7615 12.6246 12.6246 13.7101 13.7101 14.2087 14.2087 14.4028 14.4028 17.7596 17.7596 18.2693 18.2693 19.9545 19.9545 20.7158 20.7158 k =-0.1407 0.2444 0.2820 ( 1611 PWs) bands (ev): -44.6408 -44.6408 -20.5045 -20.5045 -18.0811 -18.0811 -17.9741 -17.9741 3.7898 3.7898 9.6180 9.6180 10.7047 10.7047 12.6857 12.6857 13.7191 13.7191 14.1590 14.1590 14.4699 14.4699 17.7621 17.7621 18.2482 18.2482 19.9894 19.9894 20.7409 20.7409 k =-0.1357 0.2357 0.2719 ( 1613 PWs) bands (ev): -44.6414 -44.6414 -20.5026 -20.5026 -18.0765 -18.0765 -17.9742 -17.9742 3.7087 3.7087 9.7504 9.7504 10.6471 10.6471 12.7434 12.7434 13.7273 13.7273 14.1099 14.1099 14.5402 14.5402 17.7716 17.7716 18.2322 18.2322 20.0235 20.0235 20.7654 20.7654 k =-0.1306 0.2269 0.2618 ( 1611 PWs) bands (ev): -44.6419 -44.6419 -20.5006 -20.5006 -18.0719 -18.0719 -17.9743 -17.9743 3.6302 3.6302 9.8832 9.8832 10.5893 10.5893 12.7970 12.7970 13.7345 13.7345 14.0618 14.0618 14.6132 14.6132 17.7884 17.7884 18.2214 18.2214 20.0567 20.0567 20.7891 20.7891 k =-0.1256 0.2182 0.2518 ( 1611 PWs) bands (ev): -44.6425 -44.6425 -20.4986 -20.4986 -18.0673 -18.0673 -17.9743 -17.9743 3.5544 3.5544 10.0164 10.0164 10.5319 10.5319 12.8460 12.8460 13.7406 13.7406 14.0150 14.0150 14.6886 14.6886 17.8129 17.8129 18.2158 18.2158 20.0886 20.0886 20.8119 20.8119 k =-0.1206 0.2095 0.2417 ( 1611 PWs) bands (ev): -44.6431 -44.6431 -20.4967 -20.4967 -18.0628 -18.0628 -17.9742 -17.9742 3.4812 3.4812 10.1497 10.1497 10.4752 10.4752 12.8902 12.8902 13.7455 13.7455 13.9695 13.9695 14.7662 14.7662 17.8452 17.8452 18.2156 18.2156 20.1191 20.1191 20.8326 20.8326 k =-0.1156 0.2007 0.2316 ( 1607 PWs) bands (ev): -44.6436 -44.6436 -20.4947 -20.4947 -18.0585 -18.0585 -17.9739 -17.9739 3.4108 3.4108 10.2829 10.2829 10.4197 10.4197 12.9294 12.9294 13.7490 13.7490 13.9256 13.9256 14.8459 14.8459 17.8853 17.8853 18.2207 18.2207 20.1479 20.1479 20.8292 20.8292 k =-0.1105 0.1920 0.2216 ( 1607 PWs) bands (ev): -44.6442 -44.6442 -20.4928 -20.4928 -18.0543 -18.0543 -17.9735 -17.9735 3.3431 3.3431 10.3634 10.3634 10.4178 10.4178 12.9634 12.9634 13.7508 13.7508 13.8833 13.8833 14.9276 14.9276 17.9329 17.9329 18.2313 18.2313 20.1748 20.1748 20.7295 20.7295 k =-0.1055 0.1833 0.2115 ( 1607 PWs) bands (ev): -44.6447 -44.6447 -20.4909 -20.4909 -18.0503 -18.0503 -17.9730 -17.9730 3.2782 3.2782 10.3112 10.3112 10.5499 10.5499 12.9925 12.9925 13.7510 13.7510 13.8427 13.8427 15.0111 15.0111 17.9876 17.9876 18.2477 18.2477 20.1994 20.1994 20.6207 20.6207 k =-0.1005 0.1746 0.2014 ( 1609 PWs) bands (ev): -44.6453 -44.6453 -20.4891 -20.4891 -18.0465 -18.0465 -17.9723 -17.9723 3.2162 3.2162 10.2598 10.2598 10.6822 10.6822 13.0168 13.0168 13.7489 13.7489 13.8043 13.8043 15.0962 15.0962 18.0487 18.0487 18.2701 18.2701 20.2211 20.2211 20.5139 20.5139 k =-0.0955 0.1658 0.1913 ( 1609 PWs) bands (ev): -44.6459 -44.6459 -20.4873 -20.4873 -18.0430 -18.0430 -17.9714 -17.9714 3.1569 3.1569 10.2101 10.2101 10.8138 10.8138 13.0365 13.0365 13.7428 13.7428 13.7698 13.7698 15.1828 15.1828 18.1150 18.1150 18.2991 18.2991 20.2380 20.2380 20.4116 20.4116 k =-0.0904 0.1571 0.1813 ( 1613 PWs) bands (ev): -44.6465 -44.6465 -20.4855 -20.4855 -18.0397 -18.0397 -17.9704 -17.9704 3.1005 3.1005 10.1622 10.1622 10.9445 10.9445 13.0520 13.0520 13.7228 13.7228 13.7489 13.7489 15.2705 15.2705 18.1846 18.1846 18.3360 18.3360 20.2382 20.2382 20.3257 20.3257 k =-0.0854 0.1484 0.1712 ( 1613 PWs) bands (ev): -44.6470 -44.6470 -20.4839 -20.4839 -18.0368 -18.0368 -17.9691 -17.9691 3.0470 3.0470 10.1164 10.1164 11.0739 11.0739 13.0637 13.0637 13.6917 13.6917 13.7390 13.7390 15.3593 15.3593 18.2544 18.2544 18.3832 18.3832 20.1785 20.1785 20.2998 20.2998 k =-0.0804 0.1396 0.1611 ( 1621 PWs) bands (ev): -44.6477 -44.6477 -20.4823 -20.4823 -18.0342 -18.0342 -17.9677 -17.9677 2.9964 2.9964 10.0727 10.0727 11.2017 11.2017 13.0719 13.0719 13.6601 13.6601 13.7293 13.7293 15.4487 15.4487 18.3205 18.3205 18.4438 18.4438 20.0873 20.0873 20.3054 20.3054 k =-0.0754 0.1309 0.1511 ( 1629 PWs) bands (ev): -44.6483 -44.6483 -20.4808 -20.4808 -18.0319 -18.0319 -17.9662 -17.9662 2.9488 2.9488 10.0312 10.0312 11.3277 11.3277 13.0772 13.0772 13.6299 13.6299 13.7180 13.7180 15.5384 15.5384 18.3812 18.3812 18.5184 18.5184 19.9940 19.9940 20.3136 20.3136 k =-0.0703 0.1222 0.1410 ( 1633 PWs) bands (ev): -44.6489 -44.6489 -20.4794 -20.4794 -18.0299 -18.0299 -17.9645 -17.9645 2.9041 2.9041 9.9920 9.9920 11.4514 11.4514 13.0799 13.0799 13.6013 13.6013 13.7047 13.7047 15.6282 15.6282 18.4384 18.4384 18.6039 18.6039 19.9026 19.9026 20.3200 20.3200 k =-0.0653 0.1135 0.1309 ( 1633 PWs) bands (ev): -44.6493 -44.6493 -20.4780 -20.4780 -18.0282 -18.0282 -17.9626 -17.9626 2.8624 2.8624 9.9552 9.9552 11.5726 11.5726 13.0805 13.0805 13.5745 13.5745 13.6893 13.6893 15.7175 15.7175 18.4952 18.4952 18.6963 18.6963 19.8145 19.8145 20.3236 20.3236 k =-0.0603 0.1047 0.1209 ( 1635 PWs) bands (ev): -44.6497 -44.6497 -20.4767 -20.4767 -18.0267 -18.0267 -17.9607 -17.9607 2.8237 2.8237 9.9209 9.9209 11.6908 11.6908 13.0794 13.0794 13.5494 13.5494 13.6719 13.6719 15.8058 15.8058 18.5529 18.5529 18.7930 18.7930 19.7303 19.7303 20.3240 20.3240 k =-0.0553 0.0960 0.1108 ( 1639 PWs) bands (ev): -44.6502 -44.6502 -20.4755 -20.4755 -18.0254 -18.0254 -17.9588 -17.9588 2.7880 2.7880 9.8891 9.8891 11.8055 11.8055 13.0769 13.0769 13.5262 13.5262 13.6523 13.6523 15.8925 15.8925 18.6121 18.6121 18.8918 18.8918 19.6505 19.6505 20.3204 20.3204 k =-0.0502 0.0873 0.1007 ( 1639 PWs) bands (ev): -44.6506 -44.6506 -20.4744 -20.4744 -18.0244 -18.0244 -17.9569 -17.9569 2.7554 2.7554 9.8599 9.8599 11.9162 11.9162 13.0735 13.0735 13.5049 13.5049 13.6307 13.6307 15.9770 15.9770 18.6729 18.6729 18.9913 18.9913 19.5756 19.5756 20.3110 20.3110 k =-0.0452 0.0786 0.0906 ( 1647 PWs) bands (ev): -44.6510 -44.6510 -20.4734 -20.4734 -18.0236 -18.0236 -17.9551 -17.9551 2.7258 2.7258 9.8333 9.8333 12.0224 12.0224 13.0694 13.0694 13.4853 13.4853 13.6072 13.6072 16.0584 16.0584 18.7347 18.7347 19.0903 19.0903 19.5060 19.5060 20.2757 20.2757 k =-0.0402 0.0698 0.0806 ( 1651 PWs) bands (ev): -44.6514 -44.6514 -20.4725 -20.4725 -18.0229 -18.0229 -17.9534 -17.9534 2.6992 2.6992 9.8094 9.8094 12.1233 12.1233 13.0650 13.0650 13.4675 13.4675 13.5822 13.5822 16.1360 16.1360 18.7968 18.7968 19.1875 19.1875 19.4422 19.4422 20.1793 20.1793 k =-0.0352 0.0611 0.0705 ( 1651 PWs) bands (ev): -44.6517 -44.6517 -20.4717 -20.4717 -18.0223 -18.0223 -17.9518 -17.9518 2.6758 2.6758 9.7882 9.7882 12.2182 12.2182 13.0604 13.0604 13.4515 13.4515 13.5560 13.5560 16.2085 16.2085 18.8583 18.8583 19.2815 19.2815 19.3848 19.3848 20.0800 20.0800 k =-0.0301 0.0524 0.0604 ( 1651 PWs) bands (ev): -44.6519 -44.6519 -20.4710 -20.4710 -18.0219 -18.0219 -17.9503 -17.9503 2.6555 2.6555 9.7697 9.7697 12.3059 12.3059 13.0560 13.0560 13.4369 13.4369 13.5294 13.5294 16.2751 16.2751 18.9177 18.9177 19.3329 19.3329 19.3722 19.3722 19.9901 19.9901 k =-0.0251 0.0436 0.0504 ( 1651 PWs) bands (ev): -44.6521 -44.6521 -20.4704 -20.4704 -18.0215 -18.0215 -17.9490 -17.9490 2.6383 2.6383 9.7541 9.7541 12.3853 12.3853 13.0520 13.0520 13.4236 13.4236 13.5035 13.5035 16.3344 16.3344 18.9733 18.9733 19.2897 19.2897 19.4550 19.4550 19.9122 19.9122 k =-0.0201 0.0349 0.0403 ( 1651 PWs) bands (ev): -44.6523 -44.6523 -20.4699 -20.4699 -18.0212 -18.0212 -17.9479 -17.9479 2.6242 2.6242 9.7412 9.7412 12.4549 12.4549 13.0484 13.0484 13.4113 13.4113 13.4797 13.4797 16.3852 16.3852 19.0232 19.0232 19.2534 19.2534 19.5293 19.5293 19.8488 19.8488 k =-0.0151 0.0262 0.0302 ( 1651 PWs) bands (ev): -44.6524 -44.6524 -20.4695 -20.4695 -18.0210 -18.0210 -17.9470 -17.9470 2.6132 2.6132 9.7312 9.7312 12.5127 12.5127 13.0455 13.0455 13.3996 13.3996 13.4601 13.4601 16.4262 16.4262 19.0651 19.0651 19.2251 19.2251 19.5902 19.5902 19.8031 19.8031 k =-0.0100 0.0175 0.0201 ( 1647 PWs) bands (ev): -44.6524 -44.6524 -20.4692 -20.4692 -18.0209 -18.0209 -17.9464 -17.9464 2.6053 2.6053 9.7240 9.7240 12.5564 12.5564 13.0433 13.0433 13.3890 13.3890 13.4460 13.4460 16.4565 16.4565 19.0967 19.0967 19.2049 19.2049 19.6305 19.6305 19.7797 19.7797 k =-0.0050 0.0087 0.0101 ( 1643 PWs) bands (ev): -44.6524 -44.6524 -20.4690 -20.4690 -18.0208 -18.0208 -17.9460 -17.9460 2.6006 2.6006 9.7197 9.7197 12.5839 12.5839 13.0419 13.0419 13.3812 13.3812 13.4379 13.4379 16.4751 16.4751 19.1161 19.1161 19.1932 19.1932 19.6468 19.6468 19.7775 19.7775 k = 0.0000 0.0000 0.0000 ( 1645 PWs) bands (ev): -44.6524 -44.6524 -20.4689 -20.4689 -18.0207 -18.0207 -17.9459 -17.9459 2.5991 2.5991 9.7183 9.7183 12.5933 12.5933 13.0415 13.0415 13.3783 13.3783 13.4353 13.4353 16.4813 16.4813 19.1226 19.1226 19.1894 19.1894 19.6497 19.6497 19.7803 19.7803 k = 0.0000 0.0000 0.0000 ( 1645 PWs) bands (ev): -44.6524 -44.6524 -20.4689 -20.4689 -18.0207 -18.0207 -17.9459 -17.9459 2.5991 2.5991 9.7183 9.7183 12.5933 12.5933 13.0415 13.0415 13.3783 13.3783 13.4353 13.4353 16.4813 16.4813 19.1226 19.1226 19.1894 19.1894 19.6497 19.6497 19.7803 19.7803 k = 0.0125 0.0072 0.0000 ( 1645 PWs) bands (ev): -44.6524 -44.6524 -20.4689 -20.4689 -18.0208 -18.0208 -17.9459 -17.9459 2.6007 2.6007 9.7103 9.7103 12.6008 12.6008 13.0406 13.0406 13.3797 13.3797 13.4366 13.4366 16.4815 16.4815 19.1024 19.1024 19.1925 19.1925 19.6380 19.6380 19.7688 19.7688 k = 0.0250 0.0144 0.0000 ( 1645 PWs) bands (ev): -44.6524 -44.6524 -20.4690 -20.4690 -18.0209 -18.0209 -17.9459 -17.9459 2.6057 2.6057 9.6867 9.6867 12.6230 12.6230 13.0380 13.0380 13.3838 13.3838 13.4408 13.4408 16.4821 16.4821 19.0469 19.0469 19.2018 19.2018 19.6043 19.6043 19.7355 19.7355 k = 0.0375 0.0216 0.0000 ( 1645 PWs) bands (ev): -44.6524 -44.6524 -20.4690 -20.4690 -18.0210 -18.0210 -17.9459 -17.9459 2.6140 2.6140 9.6482 9.6482 12.6590 12.6590 13.0338 13.0338 13.3907 13.3907 13.4477 13.4477 16.4831 16.4831 18.9665 18.9665 19.2174 19.2174 19.5519 19.5519 19.6830 19.6830 k = 0.0500 0.0288 0.0000 ( 1645 PWs) bands (ev): -44.6524 -44.6524 -20.4691 -20.4691 -18.0212 -18.0212 -17.9459 -17.9459 2.6255 2.6255 9.5960 9.5960 12.7074 12.7074 13.0279 13.0279 13.4004 13.4004 13.4574 13.4574 16.4845 16.4845 18.8715 18.8715 19.2390 19.2390 19.4841 19.4841 19.6147 19.6147 k = 0.0625 0.0360 0.0000 ( 1649 PWs) bands (ev): -44.6525 -44.6525 -20.4692 -20.4692 -18.0215 -18.0215 -17.9460 -17.9460 2.6404 2.6404 9.5315 9.5315 12.7667 12.7667 13.0204 13.0204 13.4128 13.4128 13.4699 13.4699 16.4862 16.4862 18.7691 18.7691 19.2667 19.2667 19.4041 19.4041 19.5339 19.5339 k = 0.0750 0.0432 0.0000 ( 1649 PWs) bands (ev): -44.6525 -44.6525 -20.4694 -20.4694 -18.0218 -18.0218 -17.9460 -17.9460 2.6586 2.6586 9.4562 9.4562 12.8350 12.8350 13.0113 13.0113 13.4280 13.4280 13.4851 13.4851 16.4884 16.4884 18.6644 18.6644 19.3003 19.3003 19.3146 19.3146 19.4436 19.4436 k = 0.0875 0.0504 0.0000 ( 1641 PWs) bands (ev): -44.6523 -44.6523 -20.4694 -20.4694 -18.0221 -18.0221 -17.9460 -17.9460 2.6799 2.6799 9.3717 9.3717 12.9104 12.9104 13.0008 13.0008 13.4459 13.4459 13.5031 13.5031 16.4909 16.4909 18.5606 18.5606 19.2177 19.2177 19.3382 19.3382 19.3473 19.3473 k = 0.1000 0.0576 0.0000 ( 1649 PWs) bands (ev): -44.6525 -44.6525 -20.4696 -20.4696 -18.0226 -18.0226 -17.9461 -17.9461 2.7045 2.7045 9.2794 9.2794 12.9890 12.9890 12.9912 12.9912 13.4665 13.4665 13.5239 13.5239 16.4937 16.4937 18.4601 18.4601 19.1152 19.1152 19.2420 19.2420 19.3851 19.3851 k = 0.1125 0.0648 0.0000 ( 1649 PWs) bands (ev): -44.6525 -44.6525 -20.4698 -20.4698 -18.0230 -18.0230 -17.9461 -17.9461 2.7323 2.7323 9.1805 9.1805 12.9759 12.9759 13.0756 13.0756 13.4899 13.4899 13.5475 13.5475 16.4969 16.4969 18.3650 18.3650 19.0082 19.0082 19.1340 19.1340 19.4359 19.4359 k = 0.1250 0.0720 0.0000 ( 1649 PWs) bands (ev): -44.6524 -44.6524 -20.4700 -20.4700 -18.0235 -18.0235 -17.9462 -17.9462 2.7633 2.7633 9.0761 9.0761 12.9616 12.9616 13.1618 13.1618 13.5160 13.5160 13.5738 13.5738 16.5004 16.5004 18.2766 18.2766 18.8978 18.8978 19.0226 19.0226 19.4920 19.4920 k = 0.1375 0.0792 0.0000 ( 1649 PWs) bands (ev): -44.6524 -44.6524 -20.4702 -20.4702 -18.0241 -18.0241 -17.9462 -17.9462 2.7974 2.7974 8.9672 8.9672 12.9463 12.9463 13.2483 13.2483 13.5449 13.5449 13.6029 13.6029 16.5041 16.5041 18.1965 18.1965 18.7846 18.7846 18.9084 18.9084 19.5533 19.5533 k = 0.1500 0.0864 0.0000 ( 1649 PWs) bands (ev): -44.6524 -44.6524 -20.4704 -20.4704 -18.0246 -18.0246 -17.9463 -17.9463 2.8345 2.8345 8.8547 8.8547 12.9301 12.9301 13.3336 13.3336 13.5766 13.5766 13.6347 13.6347 16.5082 16.5082 18.1259 18.1259 18.6694 18.6694 18.7921 18.7921 19.6197 19.6197 k = 0.1625 0.0935 0.0000 ( 1641 PWs) bands (ev): -44.6522 -44.6522 -20.4706 -20.4706 -18.0252 -18.0252 -17.9463 -17.9463 2.8747 2.8747 8.7392 8.7392 12.9132 12.9132 13.4162 13.4162 13.6111 13.6111 13.6693 13.6693 16.5124 16.5124 18.0658 18.0658 18.5526 18.5526 18.6741 18.6741 19.6909 19.6909 k = 0.1750 0.1007 0.0000 ( 1629 PWs) bands (ev): -44.6520 -44.6520 -20.4708 -20.4708 -18.0257 -18.0257 -17.9463 -17.9463 2.9178 2.9178 8.6214 8.6214 12.8955 12.8955 13.4947 13.4947 13.6485 13.6485 13.7066 13.7066 16.5170 16.5170 18.0176 18.0176 18.4346 18.4346 18.5547 18.5547 19.7667 19.7667 k = 0.1875 0.1079 0.0000 ( 1625 PWs) bands (ev): -44.6519 -44.6519 -20.4710 -20.4710 -18.0264 -18.0264 -17.9464 -17.9464 2.9639 2.9639 8.5017 8.5017 12.8774 12.8774 13.5678 13.5678 13.6889 13.6889 13.7466 13.7466 16.5217 16.5217 17.9819 17.9819 18.3159 18.3159 18.4344 18.4344 19.8468 19.8468 k = 0.2000 0.1151 0.0000 ( 1625 PWs) bands (ev): -44.6519 -44.6519 -20.4712 -20.4712 -18.0270 -18.0270 -17.9464 -17.9464 3.0127 3.0127 8.3806 8.3806 12.8589 12.8589 13.6345 13.6345 13.7322 13.7322 13.7892 13.7892 16.5265 16.5265 17.9592 17.9592 18.1972 18.1972 18.3134 18.3134 19.9311 19.9311 k = 0.2125 0.1223 0.0000 ( 1625 PWs) bands (ev): -44.6518 -44.6518 -20.4715 -20.4715 -18.0278 -18.0278 -17.9465 -17.9465 3.0644 3.0644 8.2585 8.2585 12.8401 12.8401 13.6940 13.6940 13.7784 13.7784 13.8345 13.8345 16.5315 16.5315 17.9484 17.9484 18.0808 18.0808 18.1918 18.1918 20.0192 20.0192 k = 0.2250 0.1295 0.0000 ( 1625 PWs) bands (ev): -44.6518 -44.6518 -20.4718 -20.4718 -18.0285 -18.0285 -17.9466 -17.9466 3.1187 3.1187 8.1358 8.1358 12.8213 12.8213 13.7462 13.7462 13.8268 13.8268 13.8825 13.8825 16.5366 16.5366 17.9248 17.9248 17.9920 17.9920 18.0699 18.0699 20.1108 20.1108 k = 0.2375 0.1367 0.0000 ( 1633 PWs) bands (ev): -44.6519 -44.6519 -20.4721 -20.4721 -18.0293 -18.0293 -17.9467 -17.9467 3.1756 3.1756 8.0127 8.0127 12.8024 12.8024 13.7912 13.7912 13.8771 13.8771 13.9331 13.9331 16.5417 16.5417 17.8238 17.8238 17.9479 17.9479 17.9958 17.9958 20.2058 20.2058 k = 0.2500 0.1439 0.0000 ( 1625 PWs) bands (ev): -44.6518 -44.6518 -20.4724 -20.4724 -18.0300 -18.0300 -17.9467 -17.9467 3.2350 3.2350 7.8896 7.8896 12.7836 12.7836 13.8288 13.8288 13.9291 13.9291 13.9863 13.9863 16.5469 16.5469 17.7061 17.7061 17.8260 17.8260 18.0320 18.0320 20.3038 20.3038 k = 0.2625 0.1511 0.0000 ( 1625 PWs) bands (ev): -44.6517 -44.6517 -20.4726 -20.4726 -18.0307 -18.0307 -17.9467 -17.9467 3.2967 3.2967 7.7667 7.7667 12.7650 12.7650 13.8587 13.8587 13.9832 13.9832 14.0421 14.0421 16.5521 16.5521 17.5865 17.5865 17.7042 17.7042 18.0854 18.0854 20.4044 20.4044 k = 0.2750 0.1583 0.0000 ( 1625 PWs) bands (ev): -44.6517 -44.6517 -20.4729 -20.4729 -18.0315 -18.0315 -17.9468 -17.9468 3.3606 3.3606 7.6443 7.6443 12.7468 12.7468 13.8810 13.8810 14.0397 14.0397 14.1004 14.1004 16.5572 16.5572 17.4667 17.4667 17.5827 17.5827 18.1544 18.1544 20.5073 20.5073 k = 0.2875 0.1655 0.0000 ( 1625 PWs) bands (ev): -44.6517 -44.6517 -20.4732 -20.4732 -18.0322 -18.0322 -17.9469 -17.9469 3.4266 3.4266 7.5226 7.5226 12.7289 12.7289 13.8960 13.8960 14.0988 14.0988 14.1612 14.1612 16.5622 16.5622 17.3471 17.3471 17.4617 17.4617 18.2377 18.2377 20.6121 20.6121 k = 0.3000 0.1727 0.0000 ( 1625 PWs) bands (ev): -44.6517 -44.6517 -20.4735 -20.4735 -18.0329 -18.0329 -17.9470 -17.9470 3.4945 3.4945 7.4019 7.4019 12.7117 12.7117 13.9044 13.9044 14.1606 14.1606 14.2246 14.2246 16.5671 16.5671 17.2280 17.2280 17.3414 17.3414 18.3347 18.3347 20.7184 20.7184 k = 0.3125 0.1799 0.0000 ( 1609 PWs) bands (ev): -44.6513 -44.6513 -20.4736 -20.4736 -18.0335 -18.0335 -17.9469 -17.9469 3.5640 3.5640 7.2825 7.2825 12.6950 12.6950 13.9070 13.9070 14.2250 14.2250 14.2904 14.2904 16.5717 16.5717 17.1094 17.1094 17.2217 17.2217 18.4442 18.4442 20.8256 20.8256 k = 0.3250 0.1871 0.0000 ( 1609 PWs) bands (ev): -44.6513 -44.6513 -20.4739 -20.4739 -18.0341 -18.0341 -17.9470 -17.9470 3.6350 3.6350 7.1647 7.1647 12.6790 12.6790 13.9047 13.9047 14.2918 14.2918 14.3587 14.3587 16.5760 16.5760 16.9916 16.9916 17.1031 17.1031 18.5651 18.5651 20.9333 20.9333 k = 0.3375 0.1943 0.0000 ( 1601 PWs) bands (ev): -44.6511 -44.6511 -20.4740 -20.4740 -18.0347 -18.0347 -17.9470 -17.9470 3.7071 3.7071 7.0489 7.0489 12.6638 12.6638 13.8986 13.8986 14.3611 14.3611 14.4294 14.4294 16.5798 16.5798 16.8746 16.8746 16.9856 16.9856 18.6966 18.6966 21.0408 21.0408 k = 0.3500 0.2015 0.0000 ( 1601 PWs) bands (ev): -44.6511 -44.6511 -20.4743 -20.4743 -18.0353 -18.0353 -17.9471 -17.9471 3.7799 3.7799 6.9354 6.9354 12.6495 12.6495 13.8894 13.8894 14.4328 14.4328 14.5024 14.5024 16.5825 16.5825 16.7585 16.7585 16.8699 16.8699 18.8374 18.8374 21.1475 21.1475 k = 0.3625 0.2087 0.0000 ( 1604 PWs) bands (ev): -44.6512 -44.6512 -20.4745 -20.4745 -18.0359 -18.0359 -17.9471 -17.9471 3.8531 3.8531 6.8246 6.8246 12.6360 12.6360 13.8780 13.8780 14.5069 14.5069 14.5778 14.5778 16.5824 16.5824 16.6434 16.6434 16.7577 16.7577 18.9866 18.9866 21.2526 21.2526 k = 0.3750 0.2159 0.0000 ( 1604 PWs) bands (ev): -44.6511 -44.6511 -20.4747 -20.4747 -18.0365 -18.0365 -17.9472 -17.9472 3.9262 3.9262 6.7172 6.7172 12.6236 12.6236 13.8652 13.8652 14.5833 14.5833 14.6555 14.6555 16.5294 16.5294 16.5693 16.5693 16.6595 16.6595 19.1430 19.1430 21.3551 21.3551 k = 0.3875 0.2231 0.0000 ( 1604 PWs) bands (ev): -44.6511 -44.6511 -20.4749 -20.4749 -18.0370 -18.0370 -17.9472 -17.9472 3.9985 3.9985 6.6138 6.6138 12.6121 12.6121 13.8517 13.8517 14.6620 14.6620 14.7354 14.7354 16.4166 16.4166 16.5004 16.5004 16.6179 16.6179 19.3058 19.3058 21.4542 21.4542 k = 0.4000 0.2303 0.0000 ( 1608 PWs) bands (ev): -44.6512 -44.6512 -20.4751 -20.4751 -18.0374 -18.0374 -17.9473 -17.9473 4.0692 4.0692 6.5152 6.5152 12.6018 12.6018 13.8380 13.8380 14.7429 14.7429 14.8176 14.8176 16.3051 16.3051 16.3964 16.3964 16.6124 16.6124 19.4737 19.4737 21.5486 21.5486 k = 0.4125 0.2375 0.0000 ( 1608 PWs) bands (ev): -44.6512 -44.6512 -20.4753 -20.4753 -18.0378 -18.0378 -17.9474 -17.9474 4.1374 4.1374 6.4224 6.4224 12.5925 12.5925 13.8248 13.8248 14.8259 14.8259 14.9020 14.9020 16.1950 16.1950 16.2877 16.2877 16.6126 16.6126 19.6459 19.6459 21.6372 21.6372 k = 0.4250 0.2447 0.0000 ( 1608 PWs) bands (ev): -44.6512 -44.6512 -20.4754 -20.4754 -18.0382 -18.0382 -17.9474 -17.9474 4.2019 4.2019 6.3365 6.3365 12.5844 12.5844 13.8125 13.8125 14.9112 14.9112 14.9884 14.9884 16.0862 16.0862 16.1790 16.1790 16.6139 16.6139 19.8210 19.8210 21.7184 21.7184 k = 0.4375 0.2519 0.0000 ( 1608 PWs) bands (ev): -44.6512 -44.6512 -20.4755 -20.4755 -18.0385 -18.0385 -17.9475 -17.9475 4.2612 4.2612 6.2590 6.2590 12.5775 12.5775 13.8014 13.8014 14.9985 14.9985 15.0770 15.0770 15.9790 15.9790 16.0712 16.0712 16.6155 16.6155 19.9976 19.9976 21.8257 21.8257 k = 0.4500 0.2591 0.0000 ( 1608 PWs) bands (ev): -44.6511 -44.6511 -20.4756 -20.4756 -18.0387 -18.0387 -17.9475 -17.9475 4.3138 4.3138 6.1916 6.1916 12.5719 12.5719 13.7920 13.7920 15.0878 15.0878 15.1675 15.1675 15.8733 15.8733 15.9647 15.9647 16.6169 16.6169 20.1737 20.1737 21.6855 21.6855 k = 0.4625 0.2663 0.0000 ( 1608 PWs) bands (ev): -44.6511 -44.6511 -20.4757 -20.4757 -18.0389 -18.0389 -17.9475 -17.9475 4.3577 4.3577 6.1362 6.1362 12.5674 12.5674 13.7844 13.7844 15.1790 15.1790 15.2598 15.2598 15.7693 15.7693 15.8599 15.8599 16.6181 16.6181 20.3461 20.3461 21.5396 21.5396 k = 0.4750 0.2735 0.0000 ( 1620 PWs) bands (ev): -44.6514 -44.6514 -20.4759 -20.4759 -18.0392 -18.0392 -17.9476 -17.9476 4.3908 4.3908 6.0948 6.0948 12.5642 12.5642 13.7788 13.7788 15.2720 15.2720 15.3536 15.3536 15.6672 15.6672 15.7571 15.7571 16.6190 16.6190 20.5080 20.5081 21.3957 21.3957 k = 0.4875 0.2806 0.0000 ( 1620 PWs) bands (ev): -44.6514 -44.6514 -20.4759 -20.4759 -18.0393 -18.0393 -17.9476 -17.9476 4.4116 4.4116 6.0690 6.0690 12.5623 12.5623 13.7754 13.7754 15.3660 15.3660 15.4475 15.4475 15.5678 15.5678 15.6578 15.6578 16.6195 16.6195 20.6419 20.6419 21.2724 21.2724 k = 0.5000 0.2878 0.0000 ( 1620 PWs) bands (ev): -44.6514 -44.6514 -20.4759 -20.4759 -18.0393 -18.0393 -17.9476 -17.9476 4.4187 4.4187 6.0603 6.0603 12.5617 12.5617 13.7743 13.7743 15.4427 15.4427 15.4892 15.4892 15.5177 15.5177 15.5858 15.5858 16.6197 16.6197 20.7010 20.7010 21.2168 21.2168 k = 0.5000 0.2878 0.0000 ( 1620 PWs) bands (ev): -44.6514 -44.6514 -20.4759 -20.4759 -18.0393 -18.0393 -17.9476 -17.9476 4.4187 4.4187 6.0603 6.0603 12.5617 12.5617 13.7743 13.7743 15.4427 15.4427 15.4892 15.4892 15.5177 15.5177 15.5858 15.5858 16.6197 16.6197 20.7010 20.7010 21.2168 21.2168 k = 0.4949 0.2967 0.0102 ( 1620 PWs) bands (ev): -44.6513 -44.6513 -20.4760 -20.4760 -18.0393 -18.0393 -17.9477 -17.9477 4.4198 4.4198 6.0620 6.0620 12.5600 12.5600 13.7698 13.7698 15.4411 15.4411 15.4868 15.4868 15.5173 15.5173 15.5841 15.5841 16.6245 16.6245 20.7041 20.7041 21.2221 21.2221 k = 0.4898 0.3055 0.0204 ( 1620 PWs) bands (ev): -44.6513 -44.6513 -20.4761 -20.4761 -18.0394 -18.0394 -17.9481 -17.9481 4.4231 4.4231 6.0672 6.0672 12.5548 12.5548 13.7568 13.7568 15.4358 15.4358 15.4790 15.4790 15.5161 15.5161 15.5800 15.5800 16.6386 16.6386 20.7134 20.7134 21.2377 21.2377 k = 0.4847 0.3144 0.0306 ( 1616 PWs) bands (ev): -44.6511 -44.6511 -20.4764 -20.4764 -18.0394 -18.0394 -17.9487 -17.9487 4.4286 4.4286 6.0758 6.0758 12.5457 12.5457 13.7358 13.7358 15.4258 15.4258 15.4649 15.4649 15.5138 15.5138 15.5769 15.5769 16.6613 16.6613 20.7288 20.7288 21.2626 21.2626 k = 0.4797 0.3232 0.0408 ( 1616 PWs) bands (ev): -44.6510 -44.6510 -20.4767 -20.4767 -18.0396 -18.0396 -17.9496 -17.9496 4.4363 4.4363 6.0878 6.0878 12.5321 12.5321 13.7078 13.7078 15.4092 15.4092 15.4436 15.4436 15.5113 15.5113 15.5779 15.5779 16.6916 16.6916 20.7502 20.7502 21.2952 21.2952 k = 0.4746 0.3320 0.0510 ( 1616 PWs) bands (ev): -44.6508 -44.6508 -20.4772 -20.4772 -18.0397 -18.0397 -17.9507 -17.9507 4.4462 4.4462 6.1032 6.1032 12.5131 12.5131 13.6744 13.6744 15.3845 15.3845 15.4158 15.4158 15.5102 15.5102 15.5837 15.5837 16.7285 16.7285 20.7774 20.7774 21.3337 21.3337 k = 0.4695 0.3409 0.0612 ( 1608 PWs) bands (ev): -44.6505 -44.6505 -20.4777 -20.4777 -18.0399 -18.0399 -17.9520 -17.9520 4.4584 4.4584 6.1219 6.1219 12.4874 12.4874 13.6372 13.6372 15.3504 15.3504 15.3843 15.3843 15.5110 15.5110 15.5939 15.5939 16.7709 16.7709 20.8101 20.8101 21.3756 21.3756 k = 0.4644 0.3497 0.0714 ( 1612 PWs) bands (ev): -44.6503 -44.6503 -20.4784 -20.4784 -18.0403 -18.0403 -17.9535 -17.9535 4.4727 4.4727 6.1441 6.1441 12.4537 12.4537 13.5983 13.5983 15.3075 15.3075 15.3503 15.3503 15.5139 15.5139 15.6078 15.6078 16.8179 16.8179 20.8481 20.8481 21.4184 21.4184 k = 0.4593 0.3585 0.0816 ( 1608 PWs) bands (ev): -44.6500 -44.6500 -20.4792 -20.4792 -18.0407 -18.0407 -17.9552 -17.9552 4.4892 4.4892 6.1695 6.1695 12.4107 12.4107 13.5599 13.5599 15.2584 15.2584 15.3134 15.3134 15.5184 15.5184 15.6252 15.6252 16.8688 16.8688 20.8910 20.8910 21.4596 21.4596 k = 0.4542 0.3674 0.0918 ( 1612 PWs) bands (ev): -44.6498 -44.6498 -20.4801 -20.4801 -18.0412 -18.0412 -17.9571 -17.9571 4.5079 4.5079 6.1981 6.1981 12.3571 12.3571 13.5242 13.5242 15.2048 15.2048 15.2732 15.2732 15.5245 15.5245 15.6458 15.6458 16.9228 16.9228 20.9386 20.9386 21.4964 21.4964 k = 0.4491 0.3762 0.1020 ( 1612 PWs) bands (ev): -44.6494 -44.6494 -20.4811 -20.4811 -18.0418 -18.0418 -17.9590 -17.9590 4.5288 4.5288 6.2299 6.2299 12.2920 12.2920 13.4927 13.4927 15.1481 15.1481 15.2299 15.2299 15.5317 15.5317 15.6697 15.6697 16.9794 16.9794 20.9905 20.9905 21.5259 21.5259 k = 0.4440 0.3850 0.1122 ( 1606 PWs) bands (ev): -44.6490 -44.6490 -20.4821 -20.4821 -18.0426 -18.0426 -17.9610 -17.9610 4.5519 4.5519 6.2649 6.2649 12.2148 12.2148 13.4669 13.4669 15.0892 15.0892 15.1836 15.1836 15.5401 15.5401 15.6969 15.6969 17.0385 17.0385 21.0464 21.0464 21.5431 21.5431 k = 0.4390 0.3939 0.1224 ( 1614 PWs) bands (ev): -44.6487 -44.6487 -20.4833 -20.4833 -18.0436 -18.0436 -17.9631 -17.9631 4.5772 4.5772 6.3030 6.3030 12.1258 12.1258 13.4474 13.4474 15.0285 15.0285 15.1347 15.1347 15.5494 15.5494 15.7273 15.7273 17.0996 17.0996 21.1059 21.1059 21.5398 21.5398 k = 0.4339 0.4027 0.1326 ( 1610 PWs) bands (ev): -44.6482 -44.6482 -20.4845 -20.4845 -18.0447 -18.0447 -17.9651 -17.9651 4.6047 4.6047 6.3440 6.3440 12.0255 12.0255 13.4341 13.4341 14.9668 14.9668 15.0834 15.0834 15.5595 15.5595 15.7609 15.7609 17.1625 17.1625 21.1687 21.1687 21.5048 21.5048 k = 0.4288 0.4116 0.1427 ( 1606 PWs) bands (ev): -44.6477 -44.6477 -20.4858 -20.4858 -18.0461 -18.0461 -17.9672 -17.9672 4.6344 4.6344 6.3880 6.3880 11.9151 11.9151 13.4268 13.4268 14.9042 14.9042 15.0303 15.0303 15.5703 15.5703 15.7979 15.7979 17.2272 17.2272 21.2344 21.2344 21.4327 21.4327 k = 0.4237 0.4204 0.1529 ( 1610 PWs) bands (ev): -44.6473 -44.6473 -20.4872 -20.4872 -18.0477 -18.0477 -17.9691 -17.9691 4.6662 4.6662 6.4347 6.4347 11.7956 11.7956 13.4247 13.4247 14.8413 14.8413 14.9755 14.9755 15.5816 15.5816 15.8380 15.8380 17.2934 17.2934 21.3026 21.3026 21.3303 21.3303 k = 0.4186 0.4292 0.1631 ( 1610 PWs) bands (ev): -44.6469 -44.6469 -20.4887 -20.4887 -18.0495 -18.0495 -17.9710 -17.9710 4.7003 4.7003 6.4842 6.4842 11.6684 11.6684 13.4272 13.4272 14.7782 14.7782 14.9194 14.9194 15.5935 15.5935 15.8814 15.8814 17.3613 17.3613 21.2091 21.2091 21.3732 21.3732 k = 0.4135 0.4381 0.1733 ( 1614 PWs) bands (ev): -44.6464 -44.6464 -20.4902 -20.4902 -18.0517 -18.0517 -17.9727 -17.9727 4.7365 4.7365 6.5362 6.5362 11.5348 11.5348 13.4335 13.4335 14.7153 14.7153 14.8624 14.8624 15.6057 15.6057 15.9280 15.9280 17.4306 17.4306 21.0775 21.0775 21.4456 21.4456 k = 0.4084 0.4469 0.1835 ( 1604 PWs) bands (ev): -44.6457 -44.6457 -20.4917 -20.4917 -18.0541 -18.0541 -17.9741 -17.9741 4.7749 4.7749 6.5907 6.5907 11.3960 11.3960 13.4427 13.4427 14.6528 14.6528 14.8047 14.8047 15.6181 15.6181 15.9777 15.9777 17.5015 17.5015 20.9408 20.9408 21.5196 21.5196 k = 0.4033 0.4557 0.1937 ( 1608 PWs) bands (ev): -44.6453 -44.6453 -20.4934 -20.4934 -18.0568 -18.0568 -17.9755 -17.9755 4.8154 4.8154 6.6475 6.6475 11.2529 11.2529 13.4541 13.4541 14.5908 14.5908 14.7466 14.7466 15.6307 15.6307 16.0306 16.0306 17.5738 17.5738 20.8022 20.8022 21.5946 21.5946 k = 0.3983 0.4646 0.2039 ( 1605 PWs) bands (ev): -44.6447 -44.6447 -20.4950 -20.4950 -18.0597 -18.0597 -17.9766 -17.9766 4.8581 4.8581 6.7063 6.7063 11.1067 11.1067 13.4670 13.4670 14.5296 14.5296 14.6884 14.6884 15.6433 15.6433 16.0864 16.0864 17.6478 17.6478 20.6637 20.6637 21.6702 21.6702 k = 0.3932 0.4734 0.2141 ( 1603 PWs) bands (ev): -44.6441 -44.6441 -20.4968 -20.4968 -18.0629 -18.0629 -17.9776 -17.9776 4.9030 4.9030 6.7670 6.7670 10.9582 10.9582 13.4809 13.4809 14.4694 14.4694 14.6303 14.6303 15.6558 15.6558 16.1452 16.1452 17.7233 17.7233 20.5270 20.5270 21.7456 21.7456 k = 0.3881 0.4822 0.2243 ( 1607 PWs) bands (ev): -44.6436 -44.6436 -20.4985 -20.4985 -18.0664 -18.0664 -17.9783 -17.9783 4.9500 4.9500 6.8293 6.8293 10.8083 10.8083 13.4950 13.4950 14.4102 14.4102 14.5726 14.5726 15.6681 15.6681 16.2069 16.2069 17.8003 17.8003 20.3931 20.3931 21.8200 21.8200 k = 0.3830 0.4911 0.2345 ( 1611 PWs) bands (ev): -44.6431 -44.6431 -20.5004 -20.5004 -18.0701 -18.0701 -17.9789 -17.9789 4.9992 4.9992 6.8929 6.8929 10.6578 10.6578 13.5090 13.5090 14.3523 14.3523 14.5154 14.5154 15.6800 15.6800 16.2712 16.2712 17.8790 17.8790 20.2629 20.2629 21.8918 21.8918 k = 0.3779 0.4999 0.2447 ( 1609 PWs) bands (ev): -44.6425 -44.6425 -20.5022 -20.5022 -18.0739 -18.0739 -17.9793 -17.9793 5.0505 5.0505 6.9574 6.9574 10.5074 10.5074 13.5222 13.5222 14.2958 14.2958 14.4589 14.4589 15.6914 15.6914 16.3382 16.3382 17.9594 17.9594 20.1372 20.1372 21.9587 21.9587 k = 0.3728 0.5088 0.2549 ( 1609 PWs) bands (ev): -44.6419 -44.6419 -20.5040 -20.5040 -18.0778 -18.0778 -17.9795 -17.9795 5.1040 5.1040 7.0225 7.0225 10.3581 10.3581 13.5342 13.5342 14.2408 14.2408 14.4034 14.4034 15.7021 15.7021 16.4075 16.4075 18.0415 18.0415 20.0166 20.0166 22.0166 22.0167 k = 0.3677 0.5176 0.2651 ( 1607 PWs) bands (ev): -44.6413 -44.6413 -20.5058 -20.5058 -18.0819 -18.0819 -17.9796 -17.9796 5.1596 5.1596 7.0874 7.0874 10.2106 10.2106 13.5445 13.5445 14.1875 14.1875 14.3490 14.3490 15.7120 15.7120 16.4791 16.4791 18.1254 18.1254 19.9017 19.9017 22.0555 22.0555 k = 0.3626 0.5264 0.2753 ( 1605 PWs) bands (ev): -44.6407 -44.6407 -20.5076 -20.5076 -18.0860 -18.0860 -17.9795 -17.9795 5.2174 5.2174 7.1515 7.1515 10.0660 10.0660 13.5527 13.5527 14.1359 14.1359 14.2958 14.2958 15.7208 15.7208 16.5526 16.5526 18.2110 18.2110 19.7932 19.7932 21.9458 21.9458 k = 0.3576 0.5353 0.2855 ( 1607 PWs) bands (ev): -44.6401 -44.6401 -20.5094 -20.5094 -18.0902 -18.0902 -17.9793 -17.9793 5.2772 5.2772 7.2140 7.2140 9.9253 9.9253 13.5584 13.5584 14.0862 14.0862 14.2441 14.2441 15.7285 15.7285 16.6277 16.6277 18.2985 18.2985 19.6914 19.6914 21.8183 21.8183 k = 0.3525 0.5441 0.2957 ( 1607 PWs) bands (ev): -44.6396 -44.6396 -20.5112 -20.5112 -18.0944 -18.0944 -17.9791 -17.9791 5.3392 5.3392 7.2737 7.2737 9.7898 9.7898 13.5611 13.5611 14.0385 14.0385 14.1938 14.1938 15.7349 15.7349 16.7043 16.7043 18.3878 18.3878 19.5970 19.5970 21.6950 21.6950 k = 0.3474 0.5529 0.3059 ( 1611 PWs) bands (ev): -44.6391 -44.6391 -20.5130 -20.5130 -18.0986 -18.0986 -17.9788 -17.9788 5.4033 5.4033 7.3290 7.3290 9.6612 9.6612 13.5605 13.5605 13.9928 13.9928 14.1451 14.1451 15.7397 15.7397 16.7819 16.7819 18.4791 18.4791 19.5103 19.5103 21.5763 21.5763 k = 0.3423 0.5618 0.3161 ( 1611 PWs) bands (ev): -44.6386 -44.6386 -20.5148 -20.5148 -18.1028 -18.1028 -17.9784 -17.9784 5.4694 5.4694 7.3783 7.3783 9.5415 9.5415 13.5563 13.5563 13.9493 13.9493 14.0982 14.0982 15.7428 15.7428 16.8601 16.8601 18.5723 18.5723 19.4319 19.4319 21.4625 21.4625 k = 0.3372 0.5706 0.3263 ( 1607 PWs) bands (ev): -44.6380 -44.6380 -20.5164 -20.5164 -18.1068 -18.1068 -17.9779 -17.9779 5.5377 5.5377 7.4192 7.4192 9.4329 9.4329 13.5482 13.5482 13.9080 13.9080 14.0531 14.0531 15.7440 15.7440 16.9385 16.9385 18.6675 18.6675 19.3621 19.3621 21.3537 21.3537 k = 0.3321 0.5795 0.3365 ( 1611 PWs) bands (ev): -44.6376 -44.6376 -20.5181 -20.5181 -18.1107 -18.1107 -17.9774 -17.9774 5.6081 5.6081 7.4491 7.4491 9.3383 9.3383 13.5359 13.5359 13.8690 13.8690 14.0099 14.0099 15.7431 15.7431 17.0167 17.0167 18.7647 18.7647 19.3012 19.3012 21.2502 21.2502 k = 0.3270 0.5883 0.3467 ( 1611 PWs) bands (ev): -44.6371 -44.6371 -20.5197 -20.5197 -18.1145 -18.1145 -17.9769 -17.9769 5.6805 5.6805 7.4650 7.4650 9.2606 9.2606 13.5194 13.5194 13.8323 13.8323 13.9687 13.9687 15.7399 15.7399 17.0940 17.0940 18.8639 18.8639 19.2497 19.2497 21.1521 21.1521 k = 0.3219 0.5971 0.3569 ( 1611 PWs) bands (ev): -44.6366 -44.6366 -20.5212 -20.5212 -18.1182 -18.1182 -17.9763 -17.9763 5.7550 5.7550 7.4642 7.4642 9.2026 9.2026 13.4983 13.4983 13.7981 13.7981 13.9295 13.9295 15.7344 15.7344 17.1701 17.1701 18.9650 18.9650 19.2079 19.2079 21.0596 21.0596 k = 0.3169 0.6060 0.3671 ( 1611 PWs) bands (ev): -44.6362 -44.6362 -20.5227 -20.5227 -18.1216 -18.1216 -17.9758 -17.9758 5.8315 5.8315 7.4447 7.4447 9.1663 9.1663 13.4728 13.4728 13.7663 13.7663 13.8923 13.8923 15.7262 15.7262 17.2443 17.2443 19.0675 19.0675 19.1763 19.1763 20.9727 20.9727 k = 0.3118 0.6148 0.3773 ( 1611 PWs) bands (ev): -44.6358 -44.6358 -20.5240 -20.5240 -18.1249 -18.1249 -17.9752 -17.9752 5.9101 5.9101 7.4058 7.4058 9.1525 9.1525 13.4426 13.4426 13.7370 13.7370 13.8574 13.8574 15.7153 15.7153 17.3162 17.3162 19.1446 19.1446 19.1819 19.1819 20.8917 20.8917 k = 0.3067 0.6236 0.3875 ( 1615 PWs) bands (ev): -44.6355 -44.6355 -20.5253 -20.5253 -18.1280 -18.1280 -17.9747 -17.9747 5.9908 5.9908 7.3483 7.3483 9.1604 9.1604 13.4079 13.4079 13.7103 13.7103 13.8246 13.8246 15.7016 15.7016 17.3853 17.3853 19.1362 19.1362 19.2844 19.2844 20.8166 20.8166 k = 0.3016 0.6325 0.3977 ( 1613 PWs) bands (ev): -44.6351 -44.6351 -20.5265 -20.5265 -18.1308 -18.1308 -17.9741 -17.9741 6.0734 6.0734 7.2742 7.2742 9.1879 9.1879 13.3688 13.3688 13.6862 13.6862 13.7940 13.7940 15.6850 15.6850 17.4512 17.4512 19.1321 19.1321 19.3939 19.3939 20.7473 20.7473 k = 0.2965 0.6413 0.4079 ( 1617 PWs) bands (ev): -44.6348 -44.6348 -20.5276 -20.5276 -18.1335 -18.1335 -17.9736 -17.9736 6.1580 6.1580 7.1863 7.1863 9.2322 9.2322 13.3253 13.3253 13.6648 13.6648 13.7657 13.7657 15.6653 15.6653 17.5137 17.5137 19.1360 19.1360 19.5059 19.5059 20.6831 20.6831 k = 0.2914 0.6501 0.4180 ( 1617 PWs) bands (ev): -44.6345 -44.6345 -20.5286 -20.5286 -18.1358 -18.1358 -17.9731 -17.9731 6.2447 6.2447 7.0873 7.0873 9.2906 9.2906 13.2776 13.2776 13.6461 13.6461 13.7397 13.7397 15.6426 15.6426 17.5725 17.5725 19.1474 19.1474 19.6203 19.6203 20.5820 20.5820 k = 0.2914 0.6501 0.4180 ( 1617 PWs) bands (ev): -44.6345 -44.6345 -20.5286 -20.5286 -18.1358 -18.1358 -17.9731 -17.9731 6.2447 6.2447 7.0873 7.0873 9.2906 9.2906 13.2776 13.2776 13.6461 13.6461 13.7397 13.7397 15.6426 15.6426 17.5725 17.5725 19.1474 19.1474 19.6203 19.6203 20.5820 20.5820 k = 0.2782 0.6469 0.4218 ( 1619 PWs) bands (ev): -44.6345 -44.6345 -20.5289 -20.5289 -18.1366 -18.1366 -17.9729 -17.9729 6.2748 6.2748 7.0492 7.0492 9.3192 9.3192 13.2574 13.2574 13.6395 13.6395 13.7275 13.7275 15.6335 15.6335 17.5966 17.5966 19.1551 19.1551 19.6553 19.6553 20.5395 20.5395 k = 0.2649 0.6436 0.4256 ( 1621 PWs) bands (ev): -44.6344 -44.6344 -20.5293 -20.5293 -18.1374 -18.1374 -17.9728 -17.9728 6.3007 6.3007 7.0116 7.0116 9.3573 9.3573 13.2332 13.2332 13.6326 13.6326 13.7100 13.7100 15.6243 15.6243 17.6266 17.6266 19.1673 19.1673 19.6728 19.6728 20.5012 20.5012 k = 0.2517 0.6403 0.4294 ( 1625 PWs) bands (ev): -44.6344 -44.6344 -20.5296 -20.5296 -18.1382 -18.1382 -17.9726 -17.9726 6.3226 6.3226 6.9746 6.9746 9.4044 9.4044 13.2039 13.2039 13.6252 13.6252 13.6887 13.6887 15.6152 15.6152 17.6623 17.6623 19.1840 19.1840 19.6721 19.6721 20.4671 20.4671 k = 0.2384 0.6371 0.4331 ( 1624 PWs) bands (ev): -44.6343 -44.6343 -20.5299 -20.5299 -18.1388 -18.1388 -17.9724 -17.9724 6.3409 6.3409 6.9381 6.9381 9.4601 9.4601 13.1683 13.1683 13.6164 13.6164 13.6658 13.6658 15.6065 15.6065 17.7031 17.7031 19.2055 19.2055 19.6552 19.6552 20.4372 20.4372 k = 0.2252 0.6338 0.4369 ( 1626 PWs) bands (ev): -44.6342 -44.6342 -20.5301 -20.5301 -18.1395 -18.1395 -17.9723 -17.9723 6.3559 6.3559 6.9023 6.9023 9.5239 9.5239 13.1252 13.1252 13.6048 13.6048 13.6446 13.6446 15.5983 15.5983 17.7482 17.7482 19.2320 19.2320 19.6259 19.6259 20.4115 20.4115 k = 0.2119 0.6305 0.4407 ( 1622 PWs) bands (ev): -44.6341 -44.6341 -20.5303 -20.5303 -18.1400 -18.1400 -17.9720 -17.9720 6.3681 6.3681 6.8673 6.8673 9.5953 9.5953 13.0737 13.0737 13.5886 13.5886 13.6284 13.6284 15.5907 15.5907 17.7968 17.7968 19.2635 19.2635 19.5880 19.5880 20.3896 20.3896 k = 0.1987 0.6272 0.4445 ( 1622 PWs) bands (ev): -44.6340 -44.6340 -20.5306 -20.5306 -18.1406 -18.1406 -17.9719 -17.9719 6.3779 6.3779 6.8333 6.8333 9.6736 9.6736 13.0131 13.0131 13.5689 13.5689 13.6174 13.6174 15.5837 15.5837 17.8477 17.8477 19.3004 19.3004 19.5450 19.5450 20.3713 20.3713 k = 0.1855 0.6240 0.4482 ( 1622 PWs) bands (ev): -44.6339 -44.6339 -20.5308 -20.5308 -18.1411 -18.1411 -17.9717 -17.9717 6.3857 6.3857 6.8003 6.8003 9.7581 9.7581 12.9433 12.9433 13.5491 13.5491 13.6091 13.6091 15.5775 15.5775 17.8999 17.8999 19.3425 19.3425 19.4997 19.4997 20.3566 20.3566 k = 0.1722 0.6207 0.4520 ( 1624 PWs) bands (ev): -44.6339 -44.6339 -20.5310 -20.5310 -18.1416 -18.1416 -17.9715 -17.9715 6.3918 6.3918 6.7686 6.7686 9.8484 9.8484 12.8647 12.8647 13.5308 13.5308 13.6023 13.6023 15.5721 15.5721 17.9521 17.9521 19.3883 19.3883 19.4552 19.4552 20.3450 20.3450 k = 0.1590 0.6174 0.4558 ( 1624 PWs) bands (ev): -44.6339 -44.6339 -20.5311 -20.5311 -18.1420 -18.1420 -17.9714 -17.9714 6.3965 6.3965 6.7383 6.7383 9.9438 9.9438 12.7781 12.7781 13.5148 13.5148 13.5961 13.5961 15.5674 15.5674 18.0034 18.0034 19.3990 19.3990 19.4520 19.4520 20.3362 20.3362 k = 0.1457 0.6142 0.4596 ( 1626 PWs) bands (ev): -44.6338 -44.6338 -20.5313 -20.5313 -18.1425 -18.1425 -17.9712 -17.9712 6.4003 6.4003 6.7096 6.7096 10.0438 10.0438 12.6842 12.6842 13.5010 13.5010 13.5906 13.5906 15.5634 15.5634 18.0527 18.0527 19.3577 19.3577 19.5074 19.5074 20.3301 20.3301 k = 0.1325 0.6109 0.4633 ( 1621 PWs) bands (ev): -44.6337 -44.6337 -20.5314 -20.5314 -18.1428 -18.1428 -17.9711 -17.9711 6.4033 6.4033 6.6825 6.6825 10.1477 10.1477 12.5843 12.5843 13.4894 13.4894 13.5854 13.5854 15.5602 15.5602 18.0991 18.0991 19.3155 19.3155 19.5705 19.5705 20.3262 20.3262 k = 0.1192 0.6076 0.4671 ( 1621 PWs) bands (ev): -44.6336 -44.6336 -20.5315 -20.5315 -18.1431 -18.1431 -17.9709 -17.9709 6.4058 6.4058 6.6572 6.6572 10.2551 10.2551 12.4792 12.4792 13.4797 13.4797 13.5807 13.5807 15.5575 15.5575 18.1420 18.1420 19.2757 19.2757 19.6377 19.6377 20.3243 20.3243 k = 0.1060 0.6044 0.4709 ( 1623 PWs) bands (ev): -44.6336 -44.6336 -20.5317 -20.5317 -18.1434 -18.1434 -17.9708 -17.9708 6.4079 6.4079 6.6338 6.6338 10.3654 10.3654 12.3700 12.3700 13.4715 13.4715 13.5763 13.5763 15.5554 15.5554 18.1809 18.1809 19.2389 19.2389 19.7076 19.7076 20.3239 20.3239 k = 0.0927 0.6011 0.4747 ( 1623 PWs) bands (ev): -44.6336 -44.6336 -20.5318 -20.5318 -18.1437 -18.1437 -17.9707 -17.9707 6.4099 6.4099 6.6125 6.6125 10.4780 10.4780 12.2577 12.2577 13.4647 13.4647 13.5724 13.5724 15.5538 15.5538 18.2155 18.2155 19.2057 19.2057 19.7783 19.7783 20.3246 20.3246 k = 0.0795 0.5978 0.4784 ( 1621 PWs) bands (ev): -44.6335 -44.6335 -20.5318 -20.5318 -18.1439 -18.1439 -17.9706 -17.9706 6.4117 6.4117 6.5934 6.5934 10.5921 10.5921 12.1432 12.1432 13.4592 13.4592 13.5690 13.5690 15.5526 15.5526 18.2455 18.2455 19.1763 19.1763 19.8478 19.8478 20.3260 20.3260 k = 0.0662 0.5945 0.4822 ( 1618 PWs) bands (ev): -44.6335 -44.6335 -20.5319 -20.5319 -18.1441 -18.1441 -17.9705 -17.9705 6.4136 6.4136 6.5767 6.5767 10.7069 10.7069 12.0277 12.0277 13.4547 13.4547 13.5660 13.5660 15.5518 15.5518 18.2708 18.2708 19.1510 19.1510 19.9137 19.9137 20.3277 20.3277 k = 0.0530 0.5913 0.4860 ( 1618 PWs) bands (ev): -44.6334 -44.6334 -20.5319 -20.5319 -18.1442 -18.1442 -17.9704 -17.9704 6.4154 6.4154 6.5625 6.5625 10.8209 10.8209 11.9128 11.9128 13.4512 13.4512 13.5636 13.5636 15.5512 15.5512 18.2915 18.2915 19.1301 19.1301 19.9733 19.9733 20.3293 20.3293 k = 0.0397 0.5880 0.4898 ( 1614 PWs) bands (ev): -44.6333 -44.6333 -20.5320 -20.5320 -18.1443 -18.1443 -17.9703 -17.9703 6.4171 6.4171 6.5510 6.5510 10.9318 10.9318 11.8010 11.8010 13.4485 13.4485 13.5616 13.5616 15.5508 15.5508 18.3076 18.3076 19.1136 19.1136 20.0240 20.0240 20.3304 20.3304 k = 0.0265 0.5847 0.4935 ( 1621 PWs) bands (ev): -44.6335 -44.6335 -20.5320 -20.5320 -18.1444 -18.1444 -17.9703 -17.9703 6.4185 6.4185 6.5426 6.5426 11.0344 11.0344 11.6978 11.6978 13.4466 13.4466 13.5602 13.5602 15.5505 15.5505 18.3190 18.3190 19.1018 19.1018 20.0630 20.0630 20.3310 20.3310 k = 0.0132 0.5815 0.4973 ( 1618 PWs) bands (ev): -44.6334 -44.6334 -20.5320 -20.5320 -18.1445 -18.1445 -17.9703 -17.9703 6.4194 6.4194 6.5374 6.5374 11.1163 11.1163 11.6155 11.6155 13.4455 13.4455 13.5594 13.5594 15.5504 15.5504 18.3259 18.3259 19.0946 19.0946 20.0876 20.0876 20.3311 20.3311 k = 0.0000 0.5782 0.5011 ( 1626 PWs) bands (ev): -44.6336 -44.6336 -20.5321 -20.5321 -18.1446 -18.1446 -17.9703 -17.9703 6.4198 6.4198 6.5356 6.5356 11.1505 11.1505 11.5811 11.5811 13.4452 13.4452 13.5591 13.5591 15.5503 15.5503 18.3281 18.3281 19.0923 19.0923 20.0961 20.0961 20.3311 20.3311 k = 0.0000 0.5782 0.5011 ( 1626 PWs) bands (ev): -44.6336 -44.6336 -20.5321 -20.5321 -18.1446 -18.1446 -17.9703 -17.9703 6.4198 6.4198 6.5356 6.5356 11.1505 11.1505 11.5811 11.5811 13.4452 13.4452 13.5591 13.5591 15.5503 15.5503 18.3281 18.3281 19.0923 19.0923 20.0961 20.0961 20.3311 20.3311 k = 0.0050 0.5695 0.5111 ( 1620 PWs) bands (ev): -44.6334 -44.6334 -20.5321 -20.5321 -18.1445 -18.1445 -17.9704 -17.9704 6.4212 6.4212 6.5361 6.5361 11.1526 11.1526 11.5774 11.5774 13.4453 13.4453 13.5621 13.5621 15.5465 15.5465 18.3277 18.3277 19.0752 19.0752 20.1031 20.1031 20.3366 20.3366 k = 0.0100 0.5608 0.5211 ( 1618 PWs) bands (ev): -44.6333 -44.6333 -20.5322 -20.5322 -18.1444 -18.1444 -17.9709 -17.9709 6.4255 6.4255 6.5377 6.5377 11.1587 11.1587 11.5663 11.5663 13.4458 13.4458 13.5711 13.5711 15.5352 15.5352 18.3265 18.3265 19.0261 19.0261 20.1224 20.1224 20.3532 20.3532 k = 0.0150 0.5521 0.5311 ( 1622 PWs) bands (ev): -44.6333 -44.6333 -20.5324 -20.5324 -18.1444 -18.1444 -17.9717 -17.9717 6.4327 6.4327 6.5403 6.5403 11.1690 11.1690 11.5482 11.5482 13.4465 13.4465 13.5858 13.5858 15.5165 15.5165 18.3243 18.3243 18.9503 18.9503 20.1498 20.1498 20.3805 20.3805 k = 0.0200 0.5434 0.5412 ( 1622 PWs) bands (ev): -44.6332 -44.6332 -20.5327 -20.5327 -18.1443 -18.1443 -17.9727 -17.9727 6.4428 6.4428 6.5440 6.5440 11.1833 11.1833 11.5235 11.5235 13.4472 13.4472 13.6059 13.6059 15.4907 15.4907 18.3205 18.3205 18.8544 18.8544 20.1805 20.1805 20.4182 20.4182 k = 0.0250 0.5348 0.5512 ( 1622 PWs) bands (ev): -44.6330 -44.6330 -20.5331 -20.5331 -18.1441 -18.1441 -17.9740 -17.9740 6.4557 6.4557 6.5486 6.5486 11.2016 11.2016 11.4927 11.4927 13.4478 13.4478 13.6308 13.6308 15.4583 15.4583 18.3140 18.3140 18.7447 18.7447 20.2110 20.2110 20.4658 20.4658 k = 0.0300 0.5261 0.5612 ( 1618 PWs) bands (ev): -44.6328 -44.6328 -20.5335 -20.5335 -18.1439 -18.1439 -17.9756 -17.9756 6.4715 6.4715 6.5543 6.5543 11.2239 11.2239 11.4564 11.4564 13.4481 13.4481 13.6599 13.6599 15.4196 15.4196 18.3022 18.3022 18.6285 18.6285 20.2386 20.2386 20.5226 20.5226 k = 0.0350 0.5174 0.5712 ( 1612 PWs) bands (ev): -44.6324 -44.6324 -20.5340 -20.5340 -18.1437 -18.1437 -17.9774 -17.9774 6.4901 6.4901 6.5610 6.5610 11.2502 11.2502 11.4152 11.4152 13.4480 13.4480 13.6924 13.6924 15.3753 15.3753 18.2772 18.2772 18.5169 18.5169 20.2621 20.2621 20.5872 20.5872 k = 0.0400 0.5087 0.5813 ( 1614 PWs) bands (ev): -44.6322 -44.6322 -20.5346 -20.5346 -18.1435 -18.1435 -17.9795 -17.9795 6.5115 6.5115 6.5687 6.5687 11.2804 11.2804 11.3699 11.3699 13.4472 13.4472 13.7278 13.7278 15.3258 15.3258 18.2200 18.2200 18.4318 18.4318 20.2804 20.2804 20.6502 20.6502 k = 0.0450 0.5000 0.5913 ( 1614 PWs) bands (ev): -44.6319 -44.6319 -20.5353 -20.5353 -18.1433 -18.1433 -17.9819 -17.9819 6.5357 6.5357 6.5775 6.5775 11.3140 11.3140 11.3215 11.3215 13.4453 13.4453 13.7653 13.7653 15.2717 15.2717 18.1183 18.1183 18.3874 18.3874 20.2931 20.2931 20.5974 20.5974 k = 0.0500 0.4913 0.6013 ( 1614 PWs) bands (ev): -44.6316 -44.6316 -20.5361 -20.5361 -18.1431 -18.1431 -17.9845 -17.9845 6.5624 6.5624 6.5875 6.5875 11.2689 11.2689 11.3525 11.3525 13.4422 13.4422 13.8043 13.8043 15.2137 15.2137 17.9909 17.9909 18.3670 18.3670 20.2988 20.2988 20.4897 20.4897 k = 0.0550 0.4826 0.6113 ( 1614 PWs) bands (ev): -44.6313 -44.6313 -20.5369 -20.5369 -18.1428 -18.1428 -17.9873 -17.9873 6.5895 6.5895 6.6007 6.6007 11.2145 11.2145 11.3941 11.3941 13.4373 13.4373 13.8441 13.8441 15.1522 15.1522 17.8541 17.8541 18.3556 18.3556 20.2902 20.2902 20.3924 20.3924 k = 0.0600 0.4740 0.6213 ( 1614 PWs) bands (ev): -44.6309 -44.6309 -20.5378 -20.5378 -18.1426 -18.1426 -17.9903 -17.9903 6.6063 6.6063 6.6280 6.6280 11.1582 11.1582 11.4393 11.4393 13.4304 13.4304 13.8841 13.8841 15.0879 15.0879 17.7148 17.7148 18.3478 18.3478 20.2364 20.2364 20.3398 20.3398 k = 0.0650 0.4653 0.6314 ( 1616 PWs) bands (ev): -44.6306 -44.6306 -20.5388 -20.5388 -18.1424 -18.1424 -17.9935 -17.9935 6.6191 6.6191 6.6628 6.6628 11.1004 11.1004 11.4881 11.4881 13.4208 13.4208 13.9239 13.9239 15.0211 15.0211 17.5765 17.5765 18.3413 18.3413 20.1461 20.1461 20.3244 20.3244 k = 0.0700 0.4566 0.6414 ( 1616 PWs) bands (ev): -44.6302 -44.6302 -20.5398 -20.5398 -18.1422 -18.1422 -17.9968 -17.9968 6.6321 6.6321 6.7010 6.7010 11.0415 11.0415 11.5404 11.5404 13.4080 13.4080 13.9628 13.9628 14.9525 14.9525 17.4410 17.4410 18.3353 18.3353 20.0521 20.0521 20.3139 20.3139 k = 0.0750 0.4479 0.6514 ( 1616 PWs) bands (ev): -44.6297 -44.6297 -20.5409 -20.5409 -18.1420 -18.1420 -18.0002 -18.0002 6.6458 6.6458 6.7421 6.7421 10.9818 10.9818 11.5960 11.5960 13.3915 13.3915 14.0004 14.0004 14.8825 14.8825 17.3099 17.3099 18.3293 18.3293 19.9613 19.9613 20.3023 20.3023 k = 0.0800 0.4392 0.6614 ( 1618 PWs) bands (ev): -44.6293 -44.6293 -20.5421 -20.5421 -18.1419 -18.1419 -18.0037 -18.0037 6.6600 6.6600 6.7859 6.7859 10.9218 10.9218 11.6549 11.6549 13.3705 13.3705 14.0364 14.0364 14.8114 14.8114 17.1844 17.1844 18.3231 18.3231 19.8753 19.8753 20.2882 20.2882 k = 0.0850 0.4305 0.6715 ( 1620 PWs) bands (ev): -44.6289 -44.6289 -20.5433 -20.5433 -18.1419 -18.1419 -18.0074 -18.0074 6.6749 6.6749 6.8326 6.8326 10.8618 10.8618 11.7168 11.7168 13.3446 13.3446 14.0703 14.0703 14.7396 14.7396 17.0658 17.0658 18.3165 18.3165 19.7948 19.7948 20.2717 20.2717 k = 0.0900 0.4219 0.6815 ( 1620 PWs) bands (ev): -44.6284 -44.6284 -20.5445 -20.5445 -18.1418 -18.1418 -18.0110 -18.0110 6.6904 6.6904 6.8819 6.8819 10.8019 10.8019 11.7818 11.7818 13.3130 13.3130 14.1018 14.1018 14.6677 14.6677 16.9549 16.9549 18.3092 18.3092 19.7203 19.7203 20.2528 20.2528 k = 0.0950 0.4132 0.6915 ( 1620 PWs) bands (ev): -44.6279 -44.6279 -20.5458 -20.5458 -18.1419 -18.1419 -18.0147 -18.0147 6.7063 6.7063 6.9340 6.9340 10.7424 10.7424 11.8496 11.8496 13.2751 13.2751 14.1306 14.1306 14.5958 14.5958 16.8526 16.8526 18.3013 18.3013 19.6520 19.6520 20.2316 20.2316 k = 0.1000 0.4045 0.7015 ( 1622 PWs) bands (ev): -44.6274 -44.6274 -20.5472 -20.5472 -18.1421 -18.1421 -18.0184 -18.0184 6.7228 6.7228 6.9888 6.9888 10.6836 10.6836 11.9200 11.9200 13.2304 13.2304 14.1562 14.1562 14.5244 14.5244 16.7596 16.7596 18.2927 18.2927 19.5901 19.5901 20.2083 20.2083 k = 0.1050 0.3958 0.7115 ( 1622 PWs) bands (ev): -44.6269 -44.6269 -20.5485 -20.5485 -18.1423 -18.1423 -18.0220 -18.0220 6.7396 6.7396 7.0463 7.0463 10.6256 10.6256 11.9930 11.9930 13.1785 13.1785 14.1784 14.1784 14.4540 14.4540 16.6765 16.6765 18.2832 18.2832 19.5349 19.5349 20.1832 20.1832 k = 0.1100 0.3871 0.7216 ( 1624 PWs) bands (ev): -44.6263 -44.6263 -20.5500 -20.5500 -18.1427 -18.1427 -18.0256 -18.0256 6.7568 6.7568 7.1064 7.1064 10.5686 10.5686 12.0683 12.0683 13.1189 13.1189 14.1964 14.1964 14.3853 14.3853 16.6038 16.6038 18.2729 18.2729 19.4864 19.4864 20.1564 20.1564 k = 0.1150 0.3784 0.7316 ( 1624 PWs) bands (ev): -44.6258 -44.6258 -20.5514 -20.5514 -18.1432 -18.1432 -18.0290 -18.0290 6.7742 6.7742 7.1691 7.1691 10.5128 10.5128 12.1458 12.1458 13.0516 13.0516 14.2082 14.2082 14.3204 14.3204 16.5414 16.5414 18.2617 18.2617 19.4449 19.4449 20.1284 20.1284 k = 0.1200 0.3697 0.7416 ( 1628 PWs) bands (ev): -44.6253 -44.6253 -20.5529 -20.5529 -18.1438 -18.1438 -18.0324 -18.0324 6.7919 6.7919 7.2345 7.2345 10.4584 10.4584 12.2252 12.2252 12.9766 12.9766 14.2034 14.2034 14.2698 14.2698 16.4894 16.4894 18.2497 18.2497 19.4103 19.4103 20.0994 20.0994 k = 0.1250 0.3611 0.7516 ( 1626 PWs) bands (ev): -44.6247 -44.6247 -20.5543 -20.5543 -18.1445 -18.1445 -18.0356 -18.0356 6.8096 6.8096 7.3025 7.3025 10.4054 10.4054 12.3061 12.3061 12.8942 12.8942 14.1609 14.1609 14.2551 14.2551 16.4475 16.4475 18.2368 18.2368 19.3827 19.3827 20.0697 20.0697 k = 0.1300 0.3524 0.7616 ( 1634 PWs) bands (ev): -44.6243 -44.6243 -20.5559 -20.5559 -18.1455 -18.1455 -18.0387 -18.0387 6.8275 6.8275 7.3730 7.3730 10.3540 10.3540 12.3882 12.3882 12.8050 12.8050 14.1015 14.1015 14.2554 14.2554 16.4152 16.4152 18.2233 18.2233 19.3620 19.3620 20.0397 20.0397 k = 0.1350 0.3437 0.7717 ( 1630 PWs) bands (ev): -44.6237 -44.6237 -20.5573 -20.5573 -18.1466 -18.1466 -18.0415 -18.0415 6.8453 6.8453 7.4461 7.4461 10.3043 10.3043 12.4699 12.4699 12.7107 12.7107 14.0400 14.0400 14.2562 14.2562 16.3917 16.3917 18.2093 18.2093 19.3482 19.3482 20.0097 20.0097 k = 0.1400 0.3350 0.7817 ( 1630 PWs) bands (ev): -44.6232 -44.6232 -20.5588 -20.5588 -18.1478 -18.1478 -18.0441 -18.0441 6.8630 6.8630 7.5217 7.5217 10.2564 10.2564 12.5379 12.5379 12.6248 12.6248 13.9794 13.9794 14.2549 14.2549 16.3762 16.3762 18.1950 18.1950 19.3412 19.3412 19.9801 19.9801 k = 0.1450 0.3263 0.7917 ( 1630 PWs) bands (ev): -44.6226 -44.6226 -20.5602 -20.5602 -18.1491 -18.1491 -18.0465 -18.0465 6.8806 6.8806 7.5999 7.5999 10.2104 10.2104 12.4825 12.4825 12.6577 12.6577 13.9203 13.9203 14.2511 14.2511 16.3677 16.3677 18.1808 18.1808 19.3408 19.3408 19.9513 19.9513 k = 0.1500 0.3176 0.8017 ( 1634 PWs) bands (ev): -44.6222 -44.6222 -20.5617 -20.5617 -18.1507 -18.1507 -18.0488 -18.0488 6.8980 6.8980 7.6805 7.6805 10.1663 10.1663 12.3731 12.3731 12.7399 12.7399 13.8631 13.8631 14.2448 14.2448 16.3650 16.3650 18.1670 18.1670 19.3468 19.3468 19.9237 19.9237 k = 0.1550 0.3089 0.8118 ( 1630 PWs) bands (ev): -44.6216 -44.6216 -20.5631 -20.5631 -18.1523 -18.1523 -18.0507 -18.0507 6.9150 6.9150 7.7636 7.7636 10.1243 10.1243 12.2560 12.2560 12.8260 12.8260 13.8080 13.8080 14.2362 14.2362 16.3669 16.3669 18.1541 18.1541 19.3589 19.3589 19.8976 19.8976 k = 0.1600 0.3003 0.8218 ( 1630 PWs) bands (ev): -44.6210 -44.6210 -20.5645 -20.5645 -18.1540 -18.1540 -18.0525 -18.0525 6.9316 6.9316 7.8491 7.8491 10.0843 10.0843 12.1342 12.1342 12.9129 12.9129 13.7553 13.7553 14.2254 14.2254 16.3723 16.3723 18.1427 18.1427 19.3769 19.3769 19.8734 19.8734 k = 0.1650 0.2916 0.8318 ( 1626 PWs) bands (ev): -44.6205 -44.6205 -20.5659 -20.5659 -18.1558 -18.1558 -18.0540 -18.0540 6.9478 6.9478 7.9371 7.9371 10.0465 10.0465 12.0090 12.0090 12.9998 12.9998 13.7049 13.7049 14.2128 14.2128 16.3797 16.3797 18.1334 18.1334 19.4004 19.4004 19.8514 19.8514 k = 0.1700 0.2829 0.8418 ( 1628 PWs) bands (ev): -44.6200 -44.6200 -20.5672 -20.5672 -18.1577 -18.1577 -18.0554 -18.0554 6.9634 6.9634 8.0275 8.0275 10.0108 10.0108 11.8810 11.8810 13.0861 13.0861 13.6572 13.6572 14.1987 14.1987 16.3880 16.3880 18.1269 18.1269 19.4291 19.4291 19.8320 19.8320 k = 0.1750 0.2742 0.8518 ( 1630 PWs) bands (ev): -44.6196 -44.6196 -20.5685 -20.5685 -18.1597 -18.1597 -18.0566 -18.0566 6.9784 6.9784 8.1202 8.1202 9.9773 9.9773 11.7508 11.7508 13.1713 13.1713 13.6123 13.6123 14.1833 14.1833 16.3960 16.3960 18.1238 18.1238 19.4626 19.4626 19.8154 19.8154 k = 0.1800 0.2655 0.8619 ( 1628 PWs) bands (ev): -44.6191 -44.6191 -20.5697 -20.5697 -18.1616 -18.1616 -18.0576 -18.0576 6.9928 6.9928 8.2153 8.2153 9.9460 9.9460 11.6189 11.6189 13.2548 13.2548 13.5705 13.5705 14.1672 14.1672 16.4025 16.4025 18.1249 18.1249 19.5005 19.5005 19.8020 19.8020 k = 0.1850 0.2568 0.8719 ( 1630 PWs) bands (ev): -44.6188 -44.6188 -20.5709 -20.5709 -18.1636 -18.1636 -18.0585 -18.0585 7.0064 7.0064 8.3127 8.3127 9.9170 9.9170 11.4858 11.4858 13.3350 13.3350 13.5329 13.5329 14.1505 14.1505 16.4066 16.4066 18.1304 18.1304 19.5422 19.5422 19.7921 19.7921 k = 0.1900 0.2481 0.8819 ( 1628 PWs) bands (ev): -44.6183 -44.6183 -20.5720 -20.5720 -18.1655 -18.1655 -18.0592 -18.0592 7.0193 7.0193 8.4123 8.4123 9.8902 9.8902 11.3519 11.3519 13.4063 13.4063 13.5048 13.5048 14.1336 14.1336 16.4078 16.4078 18.1407 18.1407 19.5872 19.5872 19.7860 19.7860 k = 0.1950 0.2395 0.8919 ( 1624 PWs) bands (ev): -44.6179 -44.6179 -20.5731 -20.5731 -18.1673 -18.1673 -18.0598 -18.0598 7.0313 7.0313 8.5142 8.5142 9.8656 9.8656 11.2175 11.2175 13.4333 13.4333 13.5211 13.5211 14.1169 14.1169 16.4054 16.4054 18.1558 18.1558 19.6349 19.6349 19.7841 19.7841 k = 0.2000 0.2308 0.9019 ( 1624 PWs) bands (ev): -44.6175 -44.6175 -20.5740 -20.5740 -18.1691 -18.1691 -18.0603 -18.0603 7.0425 7.0425 8.6183 8.6183 9.8432 9.8432 11.0829 11.0829 13.4131 13.4131 13.5840 13.5840 14.1006 14.1006 16.3996 16.3996 18.1753 18.1753 19.6846 19.6846 19.7867 19.7867 k = 0.2050 0.2221 0.9120 ( 1624 PWs) bands (ev): -44.6172 -44.6172 -20.5749 -20.5749 -18.1707 -18.1707 -18.0607 -18.0607 7.0527 7.0527 8.7246 8.7246 9.8231 9.8231 10.9484 10.9484 13.3872 13.3872 13.6516 13.6516 14.0852 14.0852 16.3905 16.3905 18.1986 18.1986 19.7354 19.7354 19.7945 19.7945 k = 0.2100 0.2134 0.9220 ( 1624 PWs) bands (ev): -44.6169 -44.6169 -20.5757 -20.5757 -18.1723 -18.1723 -18.0610 -18.0610 7.0619 7.0619 8.8330 8.8330 9.8051 9.8051 10.8142 10.8142 13.3625 13.3625 13.7162 13.7162 14.0710 14.0710 16.3785 16.3785 18.2248 18.2248 19.7849 19.7849 19.8091 19.8091 k = 0.2150 0.2047 0.9320 ( 1624 PWs) bands (ev): -44.6167 -44.6167 -20.5765 -20.5765 -18.1737 -18.1737 -18.0613 -18.0613 7.0701 7.0701 8.9435 8.9435 9.7893 9.7893 10.6806 10.6806 13.3401 13.3401 13.7758 13.7758 14.0583 14.0583 16.3645 16.3645 18.2527 18.2527 19.8200 19.8200 19.8433 19.8433 k = 0.2200 0.1960 0.9420 ( 1626 PWs) bands (ev): -44.6165 -44.6165 -20.5771 -20.5771 -18.1750 -18.1750 -18.0615 -18.0615 7.0773 7.0773 9.0560 9.0560 9.7757 9.7757 10.5478 10.5478 13.3205 13.3205 13.8292 13.8292 14.0475 14.0475 16.3494 16.3494 18.2809 18.2809 19.8458 19.8458 19.8907 19.8907 k = 0.2250 0.1873 0.9521 ( 1628 PWs) bands (ev): -44.6164 -44.6164 -20.5777 -20.5777 -18.1761 -18.1761 -18.0616 -18.0616 7.0834 7.0834 9.1705 9.1705 9.7642 9.7642 10.4160 10.4160 13.3038 13.3038 13.8750 13.8750 14.0393 14.0393 16.3342 16.3342 18.3080 18.3080 19.8760 19.8760 19.9366 19.9366 k = 0.2300 0.1787 0.9621 ( 1632 PWs) bands (ev): -44.6163 -44.6163 -20.5782 -20.5782 -18.1770 -18.1770 -18.0618 -18.0618 7.0884 7.0884 9.2869 9.2869 9.7548 9.7548 10.2853 10.2853 13.2900 13.2900 13.9119 13.9119 14.0343 14.0343 16.3199 16.3199 18.3326 18.3326 19.9114 19.9114 19.9782 19.9782 k = 0.2350 0.1700 0.9721 ( 1634 PWs) bands (ev): -44.6162 -44.6162 -20.5785 -20.5785 -18.1777 -18.1777 -18.0619 -18.0619 7.0924 7.0924 9.4049 9.4049 9.7476 9.7476 10.1560 10.1560 13.2792 13.2792 13.9383 13.9383 14.0335 14.0335 16.3076 16.3076 18.3533 18.3533 19.9509 19.9509 20.0139 20.0139 k = 0.2400 0.1613 0.9821 ( 1634 PWs) bands (ev): -44.6161 -44.6161 -20.5788 -20.5788 -18.1783 -18.1783 -18.0619 -18.0619 7.0952 7.0952 9.5243 9.5243 9.7425 9.7425 10.0285 10.0285 13.2715 13.2715 13.9542 13.9542 14.0363 14.0363 16.2981 16.2981 18.3689 18.3689 19.9910 19.9910 20.0427 20.0427 k = 0.2450 0.1526 0.9921 ( 1630 PWs) bands (ev): -44.6160 -44.6160 -20.5789 -20.5789 -18.1785 -18.1785 -18.0619 -18.0619 7.0969 7.0969 9.6434 9.6434 9.7398 9.7398 9.9041 9.9041 13.2669 13.2669 13.9617 13.9617 14.0403 14.0403 16.2921 16.2921 18.3787 18.3787 20.0229 20.0229 20.0643 20.0643 k = 0.2500 0.1439 1.0022 ( 1632 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1786 -18.1786 -18.0620 -18.0620 7.0974 7.0974 9.7268 9.7268 9.7485 9.7485 9.8093 9.8093 13.2654 13.2654 13.9638 13.9638 14.0420 14.0420 16.2901 16.2901 18.3820 18.3820 20.0349 20.0349 20.0742 20.0742 k = 0.2500 0.1439 1.0022 ( 1632 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1786 -18.1786 -18.0620 -18.0620 7.0974 7.0974 9.7268 9.7268 9.7485 9.7485 9.8093 9.8093 13.2654 13.2654 13.9638 13.9638 14.0420 14.0420 16.2901 16.2901 18.3820 18.3820 20.0349 20.0349 20.0742 20.0742 k = 0.2604 0.1499 0.9952 ( 1631 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1786 -18.1786 -18.0620 -18.0620 7.0969 7.0969 9.6773 9.6773 9.7706 9.7706 9.8406 9.8406 13.2584 13.2584 13.9312 13.9312 14.0733 14.0733 16.2995 16.2995 18.3812 18.3812 19.9975 19.9975 20.1075 20.1075 k = 0.2708 0.1559 0.9883 ( 1633 PWs) bands (ev): -44.6160 -44.6160 -20.5789 -20.5789 -18.1786 -18.1786 -18.0620 -18.0620 7.0953 7.0953 9.6045 9.6045 9.8034 9.8034 9.8921 9.8921 13.2378 13.2378 13.8766 13.8766 14.1236 14.1236 16.3272 16.3272 18.3785 18.3785 19.9406 19.9406 20.1571 20.1571 k = 0.2812 0.1619 0.9814 ( 1633 PWs) bands (ev): -44.6161 -44.6161 -20.5789 -20.5789 -18.1784 -18.1784 -18.0620 -18.0620 7.0930 7.0930 9.5305 9.5305 9.8378 9.8378 9.9505 9.9505 13.2046 13.2046 13.8188 13.8188 14.1740 14.1740 16.3721 16.3721 18.3738 18.3738 19.8820 19.8820 20.2088 20.2088 k = 0.2917 0.1679 0.9745 ( 1636 PWs) bands (ev): -44.6162 -44.6162 -20.5788 -20.5788 -18.1783 -18.1783 -18.0620 -18.0620 7.0901 7.0901 9.4574 9.4574 9.8731 9.8731 10.0141 10.0141 13.1600 13.1600 13.7604 13.7604 14.2221 14.2221 16.4322 16.4322 18.3670 18.3670 19.8251 19.8251 20.2570 20.2570 k = 0.3021 0.1739 0.9676 ( 1632 PWs) bands (ev): -44.6161 -44.6161 -20.5787 -20.5787 -18.1780 -18.1780 -18.0619 -18.0619 7.0868 7.0868 9.3856 9.3856 9.9091 9.9091 10.0823 10.0823 13.1055 13.1055 13.7025 13.7025 14.2672 14.2672 16.5055 16.5055 18.3579 18.3579 19.7717 19.7717 20.2824 20.2824 k = 0.3125 0.1799 0.9606 ( 1629 PWs) bands (ev): -44.6161 -44.6161 -20.5785 -20.5785 -18.1777 -18.1777 -18.0619 -18.0619 7.0835 7.0835 9.3151 9.3151 9.9457 9.9457 10.1547 10.1547 13.0425 13.0425 13.6454 13.6454 14.3091 14.3091 16.5895 16.5895 18.3466 18.3466 19.7228 19.7228 20.2777 20.2777 k = 0.3229 0.1859 0.9537 ( 1628 PWs) bands (ev): -44.6161 -44.6161 -20.5784 -20.5784 -18.1774 -18.1774 -18.0618 -18.0618 7.0802 7.0802 9.2461 9.2461 9.9826 9.9826 10.2310 10.2310 12.9728 12.9728 13.5896 13.5896 14.3477 14.3477 16.6819 16.6819 18.3330 18.3330 19.6788 19.6788 20.2604 20.2604 k = 0.3333 0.1919 0.9468 ( 1628 PWs) bands (ev): -44.6162 -44.6162 -20.5782 -20.5782 -18.1771 -18.1771 -18.0618 -18.0618 7.0772 7.0772 9.1784 9.1784 10.0198 10.0198 10.3110 10.3110 12.8978 12.8978 13.5354 13.5354 14.3828 14.3828 16.7803 16.7803 18.3171 18.3171 19.6398 19.6398 20.2368 20.2368 k = 0.3438 0.1979 0.9399 ( 1630 PWs) bands (ev): -44.6163 -44.6163 -20.5780 -20.5780 -18.1766 -18.1766 -18.0618 -18.0618 7.0746 7.0746 9.1120 9.1120 10.0570 10.0570 10.3944 10.3944 12.8190 12.8190 13.4831 13.4831 14.4142 14.4142 16.8828 16.8828 18.2991 18.2991 19.6052 19.6052 20.2098 20.2098 k = 0.3542 0.2039 0.9330 ( 1630 PWs) bands (ev): -44.6164 -44.6164 -20.5778 -20.5778 -18.1762 -18.1762 -18.0618 -18.0618 7.0726 7.0726 9.0468 9.0468 10.0940 10.0940 10.4809 10.4809 12.7377 12.7377 13.4332 13.4332 14.4416 14.4416 16.9874 16.9874 18.2789 18.2789 19.5736 19.5736 20.1818 20.1818 k = 0.3646 0.2099 0.9261 ( 1636 PWs) bands (ev): -44.6166 -44.6166 -20.5776 -20.5776 -18.1757 -18.1757 -18.0618 -18.0618 7.0714 7.0714 8.9827 8.9827 10.1305 10.1305 10.5704 10.5704 12.6552 12.6552 13.3858 13.3858 14.4649 14.4649 17.0924 17.0924 18.2568 18.2568 19.5428 19.5428 20.1562 20.1562 k = 0.3750 0.2159 0.9191 ( 1636 PWs) bands (ev): -44.6167 -44.6167 -20.5773 -20.5773 -18.1751 -18.1751 -18.0617 -18.0617 7.0710 7.0710 8.9196 8.9196 10.1664 10.1664 10.6624 10.6624 12.5725 12.5725 13.3413 13.3413 14.4839 14.4839 17.1965 17.1965 18.2327 18.2327 19.5093 19.5093 20.1369 20.1369 k = 0.3854 0.2219 0.9122 ( 1636 PWs) bands (ev): -44.6168 -44.6168 -20.5770 -20.5770 -18.1745 -18.1745 -18.0617 -18.0617 7.0716 7.0716 8.8573 8.8573 10.2013 10.2013 10.7566 10.7566 12.4909 12.4909 13.3000 13.3000 14.4982 14.4982 17.2986 17.2986 18.2070 18.2070 19.4696 19.4696 20.1282 20.1282 k = 0.3958 0.2279 0.9053 ( 1638 PWs) bands (ev): -44.6169 -44.6169 -20.5767 -20.5767 -18.1739 -18.1739 -18.0617 -18.0617 7.0732 7.0732 8.7956 8.7956 10.2351 10.2351 10.8527 10.8527 12.4112 12.4112 13.2622 13.2622 14.5077 14.5077 17.3978 17.3978 18.1796 18.1796 19.4202 19.4202 20.1335 20.1335 k = 0.4062 0.2339 0.8984 ( 1638 PWs) bands (ev): -44.6171 -44.6171 -20.5764 -20.5764 -18.1732 -18.1732 -18.0617 -18.0617 7.0760 7.0760 8.7346 8.7346 10.2675 10.2675 10.9501 10.9501 12.3346 12.3346 13.2282 13.2282 14.5122 14.5122 17.4934 17.4934 18.1509 18.1509 19.3594 19.3594 20.1547 20.1547 k = 0.4167 0.2399 0.8915 ( 1636 PWs) bands (ev): -44.6171 -44.6171 -20.5760 -20.5760 -18.1724 -18.1724 -18.0616 -18.0616 7.0800 7.0800 8.6739 8.6739 10.2982 10.2982 11.0482 11.0482 12.2623 12.2623 13.1982 13.1982 14.5118 14.5118 17.5851 17.5851 18.1209 18.1209 19.2870 19.2870 20.1916 20.1916 k = 0.4271 0.2459 0.8845 ( 1640 PWs) bands (ev): -44.6174 -44.6174 -20.5757 -20.5757 -18.1716 -18.1716 -18.0616 -18.0616 7.0852 7.0852 8.6134 8.6134 10.3270 10.3270 11.1459 11.1459 12.1957 12.1957 13.1725 13.1725 14.5065 14.5065 17.6723 17.6723 18.0899 18.0899 19.2043 19.2043 20.2424 20.2424 k = 0.4375 0.2519 0.8776 ( 1642 PWs) bands (ev): -44.6175 -44.6175 -20.5753 -20.5753 -18.1708 -18.1708 -18.0616 -18.0616 7.0916 7.0916 8.5531 8.5531 10.3537 10.3537 11.2416 11.2416 12.1368 12.1368 13.1513 13.1513 14.4962 14.4962 17.7544 17.7544 18.0584 18.0584 19.1134 19.1134 20.3047 20.3047 k = 0.4479 0.2579 0.8707 ( 1642 PWs) bands (ev): -44.6177 -44.6177 -20.5748 -20.5748 -18.1699 -18.1699 -18.0615 -18.0615 7.0993 7.0993 8.4928 8.4928 10.3780 10.3780 11.3329 11.3329 12.0882 12.0882 13.1347 13.1347 14.4812 14.4812 17.8299 17.8299 18.0273 18.0273 19.0172 19.0172 20.3754 20.3754 k = 0.4583 0.2639 0.8638 ( 1640 PWs) bands (ev): -44.6178 -44.6178 -20.5744 -20.5744 -18.1689 -18.1689 -18.0614 -18.0614 7.1081 7.1081 8.4324 8.4324 10.3998 10.3998 11.4156 11.4156 12.0545 12.0545 13.1230 13.1230 14.4616 14.4616 17.8937 17.8937 18.0001 18.0001 18.9191 18.9191 20.4518 20.4518 k = 0.4688 0.2699 0.8569 ( 1640 PWs) bands (ev): -44.6180 -44.6180 -20.5739 -20.5739 -18.1679 -18.1679 -18.0614 -18.0614 7.1180 7.1180 8.3719 8.3719 10.4189 10.4189 11.4837 11.4837 12.0417 12.0417 13.1162 13.1162 14.4378 14.4378 17.9235 17.9235 17.9962 17.9962 18.8239 18.8239 20.5309 20.5309 k = 0.4792 0.2759 0.8499 ( 1640 PWs) bands (ev): -44.6181 -44.6181 -20.5734 -20.5734 -18.1669 -18.1669 -18.0613 -18.0613 7.1289 7.1289 8.3114 8.3114 10.4352 10.4352 11.5306 11.5306 12.0568 12.0568 13.1143 13.1143 14.4101 14.4101 17.9052 17.9052 18.0239 18.0239 18.7392 18.7392 20.6102 20.6102 k = 0.4896 0.2818 0.8430 ( 1640 PWs) bands (ev): -44.6183 -44.6183 -20.5729 -20.5729 -18.1658 -18.1658 -18.0613 -18.0613 7.1405 7.1405 8.2508 8.2508 10.4487 10.4487 11.5538 11.5538 12.1020 12.1020 13.1175 13.1175 14.3788 14.3788 17.8739 17.8739 18.0386 18.0386 18.6758 18.6758 20.6874 20.6874 k = 0.5000 0.2878 0.8361 ( 1638 PWs) bands (ev): -44.6185 -44.6185 -20.5724 -20.5724 -18.1647 -18.1647 -18.0612 -18.0612 7.1526 7.1526 8.1906 8.1906 10.4593 10.4593 11.5581 11.5581 12.1726 12.1726 13.1255 13.1255 14.3443 14.3443 17.8398 17.8398 18.0197 18.0197 18.6456 18.6456 20.7606 20.7606 k = 0.5000 0.2878 0.8361 ( 1638 PWs) bands (ev): -44.6185 -44.6185 -20.5724 -20.5724 -18.1647 -18.1647 -18.0612 -18.0612 7.1526 7.1526 8.1906 8.1906 10.4593 10.4593 11.5581 11.5581 12.1726 12.1726 13.1255 13.1255 14.3443 14.3443 17.8398 17.8398 18.0197 18.0197 18.6456 18.6456 20.7606 20.7606 k = 0.5000 0.2878 0.8217 ( 1638 PWs) bands (ev): -44.6189 -44.6189 -20.5712 -20.5712 -18.1622 -18.1622 -18.0610 -18.0610 7.1787 7.1787 8.0659 8.0659 10.4794 10.4794 11.5521 11.5521 12.3416 12.3416 13.1481 13.1481 14.2698 14.2698 17.7668 17.7668 17.9424 17.9424 18.6207 18.6207 20.9084 20.9084 k = 0.5000 0.2878 0.8073 ( 1632 PWs) bands (ev): -44.6192 -44.6192 -20.5699 -20.5699 -18.1595 -18.1595 -18.0608 -18.0608 7.2061 7.2061 7.9422 7.9422 10.5010 10.5010 11.5440 11.5440 12.5122 12.5122 13.1725 13.1725 14.1971 14.1971 17.6931 17.6931 17.8693 17.8693 18.5939 18.5939 21.0577 21.0577 k = 0.5000 0.2878 0.7929 ( 1632 PWs) bands (ev): -44.6197 -44.6197 -20.5685 -20.5685 -18.1566 -18.1566 -18.0606 -18.0606 7.2346 7.2346 7.8197 7.8197 10.5242 10.5242 11.5337 11.5337 12.6839 12.6839 13.1987 13.1987 14.1273 14.1273 17.6193 17.6193 17.8010 17.8010 18.5652 18.5652 21.2082 21.2082 k = 0.5000 0.2878 0.7784 ( 1636 PWs) bands (ev): -44.6202 -44.6202 -20.5671 -20.5671 -18.1536 -18.1536 -18.0605 -18.0605 7.2638 7.2638 7.6988 7.6988 10.5489 10.5489 11.5210 11.5210 12.8561 12.8561 13.2268 13.2268 14.0615 14.0615 17.5455 17.5455 17.7379 17.7379 18.5348 18.5348 21.3596 21.3596 k = 0.5000 0.2878 0.7640 ( 1634 PWs) bands (ev): -44.6207 -44.6207 -20.5656 -20.5656 -18.1504 -18.1504 -18.0602 -18.0602 7.2935 7.2935 7.5797 7.5797 10.5752 10.5752 11.5055 11.5055 13.0279 13.0279 13.2567 13.2567 14.0009 14.0009 17.4720 17.4720 17.6805 17.6805 18.5027 18.5027 21.5117 21.5117 k = 0.5000 0.2878 0.7496 ( 1632 PWs) bands (ev): -44.6212 -44.6212 -20.5640 -20.5640 -18.1470 -18.1470 -18.0600 -18.0600 7.3228 7.3228 7.4629 7.4629 10.6029 10.6029 11.4874 11.4874 13.1980 13.1980 13.2891 13.2891 13.9463 13.9463 17.3990 17.3990 17.6293 17.6293 18.4691 18.4691 21.6639 21.6639 k = 0.5000 0.2878 0.7352 ( 1634 PWs) bands (ev): -44.6219 -44.6219 -20.5623 -20.5623 -18.1435 -18.1435 -18.0597 -18.0597 7.3345 7.3345 7.3655 7.3655 10.6321 10.6321 11.4667 11.4667 13.3170 13.3170 13.3725 13.3725 13.8988 13.8988 17.3266 17.3266 17.5851 17.5851 18.4341 18.4341 21.8158 21.8158 k = 0.5000 0.2878 0.7208 ( 1634 PWs) bands (ev): -44.6225 -44.6225 -20.5606 -20.5606 -18.1398 -18.1398 -18.0595 -18.0595 7.2303 7.2303 7.3854 7.3854 10.6627 10.6627 11.4435 11.4435 13.3539 13.3539 13.5360 13.5360 13.8598 13.8598 17.2551 17.2551 17.5485 17.5485 18.3979 18.3979 21.9665 21.9665 k = 0.5000 0.2878 0.7064 ( 1634 PWs) bands (ev): -44.6231 -44.6231 -20.5588 -20.5588 -18.1359 -18.1359 -18.0592 -18.0592 7.1192 7.1192 7.4134 7.4134 10.6947 10.6947 11.4182 11.4182 13.3904 13.3904 13.6912 13.6912 13.8355 13.8355 17.1845 17.1845 17.5204 17.5204 18.3604 18.3604 22.1141 22.1141 k = 0.5000 0.2878 0.6919 ( 1634 PWs) bands (ev): -44.6237 -44.6237 -20.5569 -20.5569 -18.1319 -18.1319 -18.0589 -18.0589 7.0098 7.0098 7.4404 7.4404 10.7281 10.7281 11.3914 11.3914 13.4283 13.4283 13.7710 13.7710 13.8905 13.8905 17.1150 17.1150 17.5015 17.5015 18.3220 18.3220 22.2489 22.2489 k = 0.5000 0.2878 0.6775 ( 1626 PWs) bands (ev): -44.6242 -44.6242 -20.5549 -20.5549 -18.1277 -18.1277 -18.0585 -18.0585 6.9024 6.9024 7.4658 7.4658 10.7629 10.7629 11.3637 11.3637 13.4676 13.4676 13.7656 13.7656 14.0336 14.0336 17.0467 17.0467 17.4929 17.4929 18.2827 18.2827 22.3001 22.3001 k = 0.5000 0.2878 0.6631 ( 1618 PWs) bands (ev): -44.6248 -44.6248 -20.5529 -20.5529 -18.1234 -18.1234 -18.0581 -18.0581 6.7971 6.7971 7.4888 7.4888 10.7989 10.7989 11.3359 11.3359 13.5083 13.5083 13.7574 13.7574 14.1808 14.1808 16.9797 16.9797 17.4957 17.4957 18.2426 18.2426 22.2865 22.2865 k = 0.5000 0.2878 0.6487 ( 1622 PWs) bands (ev): -44.6256 -44.6256 -20.5509 -20.5509 -18.1190 -18.1190 -18.0578 -18.0578 6.6940 6.6940 7.5091 7.5091 10.8362 10.8362 11.3090 11.3090 13.5504 13.5504 13.7548 13.7548 14.3224 14.3224 16.9142 16.9142 17.5110 17.5110 18.2019 18.2019 22.2630 22.2630 k = 0.5000 0.2878 0.6343 ( 1626 PWs) bands (ev): -44.6264 -44.6264 -20.5488 -20.5488 -18.1145 -18.1145 -18.0575 -18.0575 6.5931 6.5931 7.5260 7.5260 10.8747 10.8747 11.2839 11.2839 13.5939 13.5939 13.7586 13.7586 14.4560 14.4560 16.8501 16.8501 17.5399 17.5399 18.1607 18.1607 22.2360 22.2360 k = 0.5000 0.2878 0.6199 ( 1630 PWs) bands (ev): -44.6272 -44.6272 -20.5467 -20.5467 -18.1099 -18.1099 -18.0571 -18.0571 6.4944 6.4944 7.5391 7.5391 10.9144 10.9144 11.2616 11.2616 13.6385 13.6385 13.7688 13.7688 14.5802 14.5802 16.7876 16.7876 17.5835 17.5835 18.1191 18.1191 22.2073 22.2073 k = 0.5000 0.2878 0.6055 ( 1626 PWs) bands (ev): -44.6279 -44.6279 -20.5445 -20.5445 -18.1051 -18.1051 -18.0567 -18.0567 6.3980 6.3980 7.5479 7.5479 10.9552 10.9552 11.2431 11.2431 13.6843 13.6843 13.7849 13.7849 14.6938 14.6938 16.7268 16.7268 17.6427 17.6427 18.0773 18.0773 22.1778 22.1778 k = 0.5000 0.2878 0.5910 ( 1622 PWs) bands (ev): -44.6285 -44.6285 -20.5423 -20.5423 -18.1003 -18.1003 -18.0562 -18.0562 6.3039 6.3039 7.5519 7.5519 10.9970 10.9970 11.2293 11.2293 13.7311 13.7311 13.8068 13.8068 14.7961 14.7961 16.6676 16.6676 17.7181 17.7181 18.0354 18.0354 22.1481 22.1481 k = 0.5000 0.2878 0.5766 ( 1626 PWs) bands (ev): -44.6294 -44.6294 -20.5401 -20.5401 -18.0954 -18.0954 -18.0558 -18.0558 6.2121 6.2121 7.5509 7.5509 11.0399 11.0399 11.2211 11.2211 13.7786 13.7786 13.8342 13.8342 14.8866 14.8866 16.6101 16.6101 17.8098 17.8098 17.9935 17.9935 22.1188 22.1188 k = 0.5000 0.2878 0.5622 ( 1624 PWs) bands (ev): -44.6301 -44.6301 -20.5378 -20.5378 -18.0905 -18.0905 -18.0553 -18.0553 6.1226 6.1226 7.5446 7.5446 11.0837 11.0837 11.2192 11.2192 13.8263 13.8263 13.8669 13.8669 14.9656 14.9656 16.5543 16.5543 17.9173 17.9173 17.9524 17.9524 22.0904 22.0904 k = 0.5000 0.2878 0.5478 ( 1624 PWs) bands (ev): -44.6309 -44.6309 -20.5355 -20.5355 -18.0854 -18.0854 -18.0548 -18.0548 6.0354 6.0354 7.5327 7.5327 11.1284 11.1284 11.2241 11.2241 13.8734 13.8734 13.9052 13.9052 15.0334 15.0334 16.5003 16.5003 17.9098 17.9098 18.0420 18.0420 22.0632 22.0632 k = 0.5000 0.2878 0.5334 ( 1616 PWs) bands (ev): -44.6316 -44.6316 -20.5331 -20.5331 -18.0803 -18.0803 -18.0543 -18.0543 5.9505 5.9505 7.5154 7.5154 11.1739 11.1739 11.2364 11.2364 13.9195 13.9195 13.9491 13.9491 15.0908 15.0908 16.4480 16.4480 17.8688 17.8688 18.1805 18.1805 22.0377 22.0377 k = 0.5000 0.2878 0.5190 ( 1614 PWs) bands (ev): -44.6323 -44.6323 -20.5308 -20.5308 -18.0751 -18.0751 -18.0538 -18.0538 5.8679 5.8679 7.4925 7.4925 11.2200 11.2200 11.2563 11.2563 13.9651 13.9651 13.9976 13.9976 15.1388 15.1388 16.3975 16.3975 17.8280 17.8280 18.3328 18.3328 22.0143 22.0143 k = 0.5000 0.2878 0.5045 ( 1622 PWs) bands (ev): -44.6333 -44.6333 -20.5285 -20.5285 -18.0701 -18.0701 -18.0533 -18.0533 5.7877 5.7877 7.4643 7.4643 11.2664 11.2664 11.2844 11.2844 14.0113 14.0113 14.0488 14.0488 15.1786 15.1786 16.3487 16.3487 17.7878 17.7878 18.4975 18.4975 21.9931 21.9931 k = 0.5000 0.2878 0.4901 ( 1618 PWs) bands (ev): -44.6340 -44.6340 -20.5262 -20.5262 -18.0649 -18.0649 -18.0526 -18.0526 5.7098 5.7098 7.4310 7.4310 11.3120 11.3120 11.3215 11.3215 14.0590 14.0590 14.1018 14.1018 15.2113 15.2113 16.3016 16.3016 17.7482 17.7482 18.6733 18.6733 21.9747 21.9747 k = 0.5000 0.2878 0.4757 ( 1610 PWs) bands (ev): -44.6347 -44.6347 -20.5238 -20.5238 -18.0598 -18.0598 -18.0519 -18.0519 5.6342 5.6342 7.3931 7.3931 11.3577 11.3577 11.3666 11.3666 14.1080 14.1080 14.1559 14.1559 15.2381 15.2381 16.2563 16.2563 17.7093 17.7093 18.8590 18.8590 21.9592 21.9592 k = 0.5000 0.2878 0.4613 ( 1614 PWs) bands (ev): -44.6356 -44.6356 -20.5215 -20.5215 -18.0553 -18.0553 -18.0507 -18.0507 5.5609 5.5609 7.3509 7.3509 11.4080 11.4080 11.4147 11.4147 14.1584 14.1584 14.2108 14.2108 15.2600 15.2600 16.2126 16.2126 17.6711 17.6711 19.0533 19.0533 21.9469 21.9469 k = 0.5000 0.2878 0.4469 ( 1614 PWs) bands (ev): -44.6363 -44.6363 -20.5192 -20.5192 -18.0525 -18.0525 -18.0477 -18.0477 5.4900 5.4900 7.3049 7.3049 11.4625 11.4625 11.4659 11.4659 14.2098 14.2098 14.2663 14.2663 15.2780 15.2780 16.1707 16.1707 17.6337 17.6337 19.2552 19.2552 21.9382 21.9382 k = 0.5000 0.2878 0.4325 ( 1614 PWs) bands (ev): -44.6371 -44.6371 -20.5169 -20.5169 -18.0514 -18.0514 -18.0431 -18.0431 5.4213 5.4213 7.2555 7.2555 11.5126 11.5126 11.5284 11.5284 14.2620 14.2620 14.3222 14.3222 15.2929 15.2929 16.1303 16.1303 17.5972 17.5972 19.4637 19.4637 21.9333 21.9333 k = 0.5000 0.2878 0.4180 ( 1614 PWs) bands (ev): -44.6379 -44.6379 -20.5146 -20.5146 -18.0506 -18.0506 -18.0381 -18.0381 5.3550 5.3550 7.2034 7.2034 11.5624 11.5624 11.5974 11.5974 14.3148 14.3148 14.3784 14.3784 15.3054 15.3054 16.0916 16.0916 17.5615 17.5615 19.6777 19.6777 21.9323 21.9323 k = 0.5000 0.2878 0.4036 ( 1616 PWs) bands (ev): -44.6387 -44.6387 -20.5124 -20.5124 -18.0500 -18.0500 -18.0331 -18.0331 5.2910 5.2910 7.1491 7.1491 11.6124 11.6124 11.6719 11.6719 14.3678 14.3678 14.4347 14.4347 15.3160 15.3160 16.0545 16.0545 17.5266 17.5266 19.8966 19.8966 21.9356 21.9356 k = 0.5000 0.2878 0.3892 ( 1608 PWs) bands (ev): -44.6393 -44.6393 -20.5101 -20.5101 -18.0493 -18.0493 -18.0280 -18.0280 5.2293 5.2293 7.0929 7.0929 11.6624 11.6624 11.7514 11.7514 14.4209 14.4209 14.4910 14.4910 15.3252 15.3252 16.0189 16.0189 17.4926 17.4926 20.1195 20.1195 21.9433 21.9433 k = 0.5000 0.2878 0.3748 ( 1604 PWs) bands (ev): -44.6400 -44.6400 -20.5079 -20.5079 -18.0487 -18.0487 -18.0230 -18.0230 5.1699 5.1699 7.0355 7.0355 11.7124 11.7124 11.8355 11.8355 14.4737 14.4737 14.5472 14.5472 15.3335 15.3335 15.9848 15.9848 17.4593 17.4593 20.3456 20.3456 21.9557 21.9557 k = 0.5000 0.2878 0.3604 ( 1604 PWs) bands (ev): -44.6408 -44.6408 -20.5057 -20.5057 -18.0481 -18.0481 -18.0181 -18.0181 5.1129 5.1129 6.9772 6.9772 11.7622 11.7622 11.9236 11.9236 14.5261 14.5261 14.6031 14.6031 15.3411 15.3411 15.9521 15.9521 17.4268 17.4268 20.5740 20.5740 21.9727 21.9727 k = 0.5000 0.2878 0.3460 ( 1608 PWs) bands (ev): -44.6416 -44.6416 -20.5036 -20.5036 -18.0475 -18.0475 -18.0133 -18.0133 5.0581 5.0581 6.9186 6.9186 11.8117 11.8117 12.0151 12.0151 14.5779 14.5779 14.6586 14.6586 15.3483 15.3483 15.9209 15.9209 17.3948 17.3948 20.8034 20.8034 21.9944 21.9944 k = 0.5000 0.2878 0.3316 ( 1608 PWs) bands (ev): -44.6423 -44.6423 -20.5016 -20.5016 -18.0470 -18.0470 -18.0086 -18.0086 5.0056 5.0056 6.8599 6.8599 11.8609 11.8609 12.1097 12.1097 14.6289 14.6289 14.7136 14.7136 15.3554 15.3554 15.8910 15.8910 17.3634 17.3634 21.0319 21.0319 22.0207 22.0207 k = 0.5000 0.2878 0.3171 ( 1608 PWs) bands (ev): -44.6430 -44.6430 -20.4996 -20.4996 -18.0464 -18.0464 -18.0039 -18.0039 4.9553 4.9553 6.8016 6.8016 11.9095 11.9095 12.2066 12.2066 14.6790 14.6790 14.7678 14.7678 15.3624 15.3624 15.8625 15.8625 17.3323 17.3323 21.2551 21.2551 22.0510 22.0510 k = 0.5000 0.2878 0.3027 ( 1608 PWs) bands (ev): -44.6436 -44.6436 -20.4976 -20.4976 -18.0459 -18.0459 -17.9994 -17.9994 4.9074 4.9074 6.7440 6.7440 11.9575 11.9575 12.3055 12.3055 14.7281 14.7281 14.8212 14.8212 15.3696 15.3696 15.8353 15.8353 17.3014 17.3014 21.4607 21.4607 22.0417 22.0417 k = 0.5000 0.2878 0.2883 ( 1608 PWs) bands (ev): -44.6443 -44.6443 -20.4958 -20.4958 -18.0453 -18.0453 -17.9950 -17.9950 4.8617 4.8617 6.6874 6.6874 12.0048 12.0048 12.4057 12.4057 14.7761 14.7761 14.8735 14.8735 15.3769 15.3769 15.8093 15.8093 17.2705 17.2705 21.6074 21.6074 22.0344 22.0344 k = 0.5000 0.2878 0.2739 ( 1608 PWs) bands (ev): -44.6449 -44.6449 -20.4939 -20.4939 -18.0448 -18.0448 -17.9907 -17.9907 4.8183 4.8183 6.6322 6.6322 12.0511 12.0511 12.5069 12.5069 14.8231 14.8231 14.9247 14.9247 15.3844 15.3844 15.7846 15.7846 17.2394 17.2394 21.6349 21.6349 22.1473 22.1474 k = 0.5000 0.2878 0.2595 ( 1608 PWs) bands (ev): -44.6455 -44.6455 -20.4922 -20.4922 -18.0443 -18.0443 -17.9866 -17.9866 4.7772 4.7772 6.5785 6.5785 12.0964 12.0964 12.6082 12.6082 14.8691 14.8691 14.9745 14.9745 15.3921 15.3921 15.7611 15.7611 17.2080 17.2080 21.5844 21.5844 22.1916 22.1916 k = 0.5000 0.2878 0.2451 ( 1606 PWs) bands (ev): -44.6460 -44.6460 -20.4905 -20.4905 -18.0438 -18.0438 -17.9827 -17.9827 4.7383 4.7383 6.5266 6.5266 12.1405 12.1405 12.7093 12.7093 14.9141 14.9141 15.0229 15.0229 15.4001 15.4001 15.7388 15.7388 17.1759 17.1759 21.5106 21.5106 22.2116 22.2116 k = 0.5000 0.2878 0.2306 ( 1610 PWs) bands (ev): -44.6467 -44.6467 -20.4889 -20.4889 -18.0433 -18.0433 -17.9789 -17.9789 4.7017 4.7017 6.4766 6.4766 12.1832 12.1832 12.8095 12.8095 14.9582 14.9582 15.0695 15.0695 15.4084 15.4084 15.7177 15.7177 17.1431 17.1431 21.4311 21.4311 22.2074 22.2074 k = 0.5000 0.2878 0.2162 ( 1606 PWs) bands (ev): -44.6471 -44.6471 -20.4874 -20.4874 -18.0428 -18.0428 -17.9753 -17.9753 4.6673 4.6673 6.4289 6.4289 12.2245 12.2245 12.9082 12.9082 15.0015 15.0015 15.1143 15.1143 15.4168 15.4168 15.6977 15.6977 17.1093 17.1093 21.3515 21.3515 22.1696 22.1696 k = 0.5000 0.2878 0.2018 ( 1610 PWs) bands (ev): -44.6477 -44.6477 -20.4860 -20.4860 -18.0424 -18.0424 -17.9719 -17.9719 4.6352 4.6352 6.3836 6.3836 12.2641 12.2641 13.0047 13.0047 15.0442 15.0442 15.1571 15.1571 15.4254 15.4254 15.6790 15.6790 17.0744 17.0744 21.2740 21.2740 22.1003 22.1003 k = 0.5000 0.2878 0.1874 ( 1606 PWs) bands (ev): -44.6481 -44.6481 -20.4846 -20.4846 -18.0420 -18.0420 -17.9686 -17.9686 4.6053 4.6053 6.3408 6.3408 12.3019 12.3019 13.0984 13.0984 15.0864 15.0864 15.1977 15.1977 15.4342 15.4342 15.6614 15.6614 17.0382 17.0382 21.1999 21.1999 22.0114 22.0114 k = 0.5000 0.2878 0.1730 ( 1606 PWs) bands (ev): -44.6485 -44.6485 -20.4833 -20.4833 -18.0416 -18.0416 -17.9656 -17.9656 4.5776 4.5776 6.3006 6.3006 12.3377 12.3377 13.1886 13.1886 15.1283 15.1283 15.2360 15.2360 15.4430 15.4430 15.6450 15.6450 17.0008 17.0008 21.1297 21.1297 21.9140 21.9140 k = 0.5000 0.2878 0.1586 ( 1610 PWs) bands (ev): -44.6490 -44.6490 -20.4822 -20.4822 -18.0412 -18.0412 -17.9628 -17.9628 4.5522 4.5522 6.2633 6.2633 12.3714 12.3714 13.2746 13.2746 15.1698 15.1698 15.2717 15.2717 15.4519 15.4519 15.6299 15.6299 16.9621 16.9621 21.0639 21.0639 21.8154 21.8154 k = 0.5000 0.2878 0.1442 ( 1608 PWs) bands (ev): -44.6493 -44.6493 -20.4811 -20.4811 -18.0409 -18.0409 -17.9602 -17.9602 4.5290 4.5290 6.2288 6.2288 12.4028 12.4028 13.3556 13.3556 15.2109 15.2109 15.3047 15.3047 15.4608 15.4608 15.6161 15.6161 16.9223 16.9223 21.0029 21.0029 21.7197 21.7197 k = 0.5000 0.2878 0.1297 ( 1604 PWs) bands (ev): -44.6496 -44.6496 -20.4801 -20.4801 -18.0405 -18.0405 -17.9578 -17.9578 4.5080 4.5080 6.1973 6.1973 12.4318 12.4318 13.4311 13.4311 15.2514 15.2514 15.3348 15.3348 15.4697 15.4697 15.6038 15.6038 16.8817 16.8817 20.9470 20.9470 21.6295 21.6295 k = 0.5000 0.2878 0.1153 ( 1604 PWs) bands (ev): -44.6499 -44.6499 -20.4792 -20.4792 -18.0403 -18.0403 -17.9557 -17.9557 4.4893 4.4893 6.1690 6.1690 12.4581 12.4581 13.5003 13.5003 15.2909 15.2909 15.3621 15.3621 15.4785 15.4785 15.5929 15.5929 16.8407 16.8407 20.8964 20.8964 21.5463 21.5463 k = 0.5000 0.2878 0.1009 ( 1610 PWs) bands (ev): -44.6503 -44.6503 -20.4784 -20.4784 -18.0401 -18.0401 -17.9538 -17.9538 4.4727 4.4727 6.1438 6.1438 12.4818 12.4818 13.5626 13.5626 15.3285 15.3285 15.3865 15.3865 15.4871 15.4871 15.5839 15.5839 16.8000 16.8000 20.8513 20.8513 21.4712 21.4712 k = 0.5000 0.2878 0.0865 ( 1610 PWs) bands (ev): -44.6505 -44.6505 -20.4777 -20.4777 -18.0398 -18.0398 -17.9522 -17.9522 4.4584 4.4584 6.1218 6.1218 12.5026 12.5026 13.6177 13.6177 15.3628 15.3628 15.4086 15.4086 15.4954 15.4954 15.5770 15.5770 16.7604 16.7604 20.8118 20.8118 21.4050 21.4050 k = 0.5000 0.2878 0.0721 ( 1610 PWs) bands (ev): -44.6507 -44.6507 -20.4772 -20.4772 -18.0396 -18.0396 -17.9508 -17.9508 4.4462 4.4462 6.1031 6.1031 12.5204 12.5204 13.6649 13.6649 15.3916 15.3916 15.4292 15.4292 15.5030 15.5030 15.5728 15.5728 16.7230 16.7230 20.7782 20.7782 21.3482 21.3482 k = 0.5000 0.2878 0.0577 ( 1614 PWs) bands (ev): -44.6510 -44.6510 -20.4767 -20.4767 -18.0395 -18.0395 -17.9496 -17.9496 4.4363 4.4363 6.0877 6.0877 12.5351 12.5351 13.7040 13.7040 15.4130 15.4130 15.4489 15.4489 15.5093 15.5093 15.5720 15.5720 16.6892 16.6892 20.7505 20.7505 21.3013 21.3013 k = 0.5000 0.2878 0.0432 ( 1620 PWs) bands (ev): -44.6512 -44.6512 -20.4764 -20.4764 -18.0394 -18.0394 -17.9488 -17.9488 4.4286 4.4286 6.0758 6.0758 12.5467 12.5467 13.7346 13.7346 15.4272 15.4272 15.4663 15.4663 15.5137 15.5137 15.5746 15.5746 16.6605 16.6605 20.7289 20.7289 21.2645 21.2645 k = 0.5000 0.2878 0.0288 ( 1620 PWs) bands (ev): -44.6513 -44.6513 -20.4761 -20.4761 -18.0394 -18.0394 -17.9481 -17.9481 4.4231 4.4231 6.0672 6.0672 12.5550 12.5550 13.7566 13.7566 15.4362 15.4362 15.4792 15.4792 15.5162 15.5162 15.5795 15.5795 16.6384 16.6384 20.7134 20.7134 21.2380 21.2380 k = 0.5000 0.2878 0.0144 ( 1620 PWs) bands (ev): -44.6513 -44.6513 -20.4760 -20.4760 -18.0393 -18.0393 -17.9477 -17.9477 4.4198 4.4198 6.0620 6.0620 12.5600 12.5600 13.7698 13.7698 15.4411 15.4411 15.4868 15.4868 15.5173 15.5173 15.5840 15.5840 16.6245 16.6245 20.7041 20.7041 21.2221 21.2221 k = 0.5000 0.2878 0.0000 ( 1620 PWs) bands (ev): -44.6514 -44.6514 -20.4759 -20.4759 -18.0393 -18.0393 -17.9476 -17.9476 4.4187 4.4187 6.0603 6.0603 12.5617 12.5617 13.7743 13.7743 15.4427 15.4427 15.4892 15.4892 15.5177 15.5177 15.5858 15.5858 16.6197 16.6197 20.7010 20.7010 21.2168 21.2168 k = 0.0000 0.0000 1.0022 ( 1622 PWs) bands (ev): -44.6158 -44.6158 -20.5789 -20.5789 -18.1786 -18.1786 -18.0619 -18.0619 6.9956 6.9956 9.3189 9.3189 10.3460 10.3460 10.7876 10.7876 11.5658 11.5658 12.9999 12.9999 14.9126 14.9126 18.3784 18.3784 18.7726 18.7726 19.0774 19.0774 19.3203 19.3203 k = 0.0125 0.0072 1.0022 ( 1626 PWs) bands (ev): -44.6159 -44.6159 -20.5789 -20.5789 -18.1786 -18.1786 -18.0619 -18.0619 6.9961 6.9961 9.3200 9.3200 10.3435 10.3435 10.7724 10.7724 11.5840 11.5840 13.0034 13.0034 14.9098 14.9098 18.3782 18.3782 18.7086 18.7086 19.1336 19.1336 19.3247 19.3247 k = 0.0250 0.0144 1.0022 ( 1630 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1786 -18.1786 -18.0620 -18.0620 6.9979 6.9979 9.3234 9.3234 10.3360 10.3360 10.7308 10.7308 11.6349 11.6349 13.0142 13.0142 14.9011 14.9011 18.3772 18.3772 18.5786 18.5786 19.2356 19.2356 19.3426 19.3426 k = 0.0375 0.0216 1.0022 ( 1634 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1786 -18.1786 -18.0620 -18.0620 7.0007 7.0007 9.3291 9.3291 10.3238 10.3238 10.6710 10.6710 11.7102 11.7102 13.0318 13.0318 14.8867 14.8867 18.3697 18.3697 18.4347 18.4347 19.3069 19.3069 19.4043 19.4043 k = 0.0500 0.0288 1.0022 ( 1636 PWs) bands (ev): -44.6161 -44.6161 -20.5790 -20.5790 -18.1786 -18.1786 -18.0620 -18.0620 7.0046 7.0046 9.3370 9.3370 10.3070 10.3070 10.6006 10.6006 11.8021 11.8021 13.0562 13.0562 14.8668 14.8668 18.2595 18.2595 18.3850 18.3850 19.3372 19.3372 19.5085 19.5085 k = 0.0625 0.0360 1.0022 ( 1634 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1786 -18.1786 -18.0620 -18.0620 7.0094 7.0094 9.3471 9.3471 10.2859 10.2859 10.5251 10.5251 11.9049 11.9049 13.0870 13.0870 14.8415 14.8415 18.0979 18.0979 18.3825 18.3825 19.3619 19.3619 19.6159 19.6159 k = 0.0750 0.0432 1.0022 ( 1630 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1786 -18.1786 -18.0620 -18.0620 7.0152 7.0152 9.3594 9.3594 10.2609 10.2609 10.4481 10.4481 12.0151 12.0151 13.1237 13.1237 14.8109 14.8109 17.9321 17.9321 18.3819 18.3819 19.3888 19.3888 19.7171 19.7171 k = 0.0875 0.0504 1.0022 ( 1630 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1786 -18.1786 -18.0620 -18.0620 7.0216 7.0216 9.3740 9.3740 10.2323 10.2323 10.3719 10.3719 12.1300 12.1300 13.1659 13.1659 14.7755 14.7755 17.7655 17.7655 18.3816 18.3816 19.4189 19.4189 19.8099 19.8099 k = 0.1000 0.0576 1.0022 ( 1630 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1786 -18.1786 -18.0620 -18.0620 7.0288 7.0288 9.3906 9.3906 10.2004 10.2004 10.2981 10.2981 12.2477 12.2477 13.2131 13.2131 14.7353 14.7353 17.5996 17.5996 18.3816 18.3816 19.4525 19.4525 19.8936 19.8936 k = 0.1125 0.0648 1.0022 ( 1638 PWs) bands (ev): -44.6161 -44.6161 -20.5790 -20.5790 -18.1787 -18.1787 -18.0620 -18.0620 7.0364 7.0364 9.4094 9.4094 10.1652 10.1652 10.2284 10.2284 12.3668 12.3668 13.2649 13.2649 14.6908 14.6908 17.4358 17.4358 18.3816 18.3816 19.4895 19.4895 19.9681 19.9681 k = 0.1250 0.0720 1.0022 ( 1642 PWs) bands (ev): -44.6162 -44.6162 -20.5791 -20.5791 -18.1787 -18.1787 -18.0621 -18.0621 7.0442 7.0442 9.4302 9.4302 10.1260 10.1260 10.1647 10.1647 12.4857 12.4857 13.3207 13.3207 14.6422 14.6422 17.2756 17.2756 18.3816 18.3816 19.5298 19.5298 20.0336 20.0336 k = 0.1375 0.0792 1.0022 ( 1638 PWs) bands (ev): -44.6161 -44.6161 -20.5790 -20.5790 -18.1787 -18.1787 -18.0620 -18.0620 7.0522 7.0522 9.4531 9.4531 10.0802 10.0802 10.1104 10.1104 12.6031 12.6031 13.3800 13.3800 14.5899 14.5899 17.1204 17.1204 18.3817 18.3817 19.5730 19.5730 20.0905 20.0905 k = 0.1500 0.0864 1.0022 ( 1632 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1787 -18.1787 -18.0619 -18.0619 7.0602 7.0602 9.4779 9.4779 10.0294 10.0294 10.0651 10.0651 12.7173 12.7173 13.4425 13.4425 14.5341 14.5341 16.9719 16.9719 18.3817 18.3817 19.6190 19.6190 20.1392 20.1392 k = 0.1625 0.0935 1.0022 ( 1632 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1787 -18.1787 -18.0620 -18.0620 7.0678 7.0678 9.5046 9.5046 9.9802 9.9802 10.0229 10.0229 12.8267 12.8267 13.5075 13.5075 14.4754 14.4754 16.8319 16.8319 18.3818 18.3818 19.6675 19.6675 20.1802 20.1802 k = 0.1750 0.1007 1.0022 ( 1632 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1787 -18.1787 -18.0620 -18.0620 7.0749 7.0749 9.5331 9.5331 9.9356 9.9356 9.9816 9.9816 12.9293 12.9293 13.5747 13.5747 14.4139 14.4139 16.7024 16.7024 18.3818 18.3818 19.7182 19.7182 20.2135 20.2135 k = 0.1875 0.1079 1.0022 ( 1634 PWs) bands (ev): -44.6161 -44.6161 -20.5790 -20.5790 -18.1787 -18.1787 -18.0620 -18.0620 7.0813 7.0813 9.5634 9.5634 9.8969 9.8969 9.9405 9.9405 13.0228 13.0228 13.6435 13.6435 14.3501 14.3501 16.5859 16.5859 18.3819 18.3819 19.7708 19.7708 20.2384 20.2384 k = 0.2000 0.1151 1.0022 ( 1634 PWs) bands (ev): -44.6161 -44.6161 -20.5790 -20.5790 -18.1787 -18.1787 -18.0620 -18.0620 7.0869 7.0869 9.5953 9.5953 9.8644 9.8644 9.8999 9.8999 13.1048 13.1048 13.7134 13.7134 14.2844 14.2844 16.4850 16.4850 18.3819 18.3819 19.8251 19.8251 20.2483 20.2483 k = 0.2125 0.1223 1.0022 ( 1634 PWs) bands (ev): -44.6161 -44.6161 -20.5790 -20.5790 -18.1787 -18.1787 -18.0620 -18.0620 7.0914 7.0914 9.6286 9.6286 9.8378 9.8378 9.8606 9.8606 13.1724 13.1724 13.7839 13.7839 14.2174 14.2174 16.4024 16.4024 18.3820 18.3820 19.8806 19.8806 20.2217 20.2217 k = 0.2250 0.1295 1.0022 ( 1634 PWs) bands (ev): -44.6161 -44.6161 -20.5790 -20.5790 -18.1787 -18.1787 -18.0620 -18.0620 7.0947 7.0947 9.6633 9.6633 9.8119 9.8119 9.8283 9.8283 13.2232 13.2232 13.8541 13.8541 14.1497 14.1497 16.3409 16.3409 18.3820 18.3820 19.9370 19.9370 20.1709 20.1709 k = 0.2375 0.1367 1.0022 ( 1632 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1786 -18.1786 -18.0620 -18.0620 7.0968 7.0968 9.6987 9.6987 9.7771 9.7771 9.8135 9.8135 13.2547 13.2547 13.9213 13.9213 14.0840 14.0840 16.3029 16.3029 18.3820 18.3820 19.9931 19.9931 20.1159 20.1159 k = 0.2500 0.1439 1.0022 ( 1632 PWs) bands (ev): -44.6160 -44.6160 -20.5790 -20.5790 -18.1786 -18.1786 -18.0620 -18.0620 7.0974 7.0974 9.7268 9.7268 9.7485 9.7485 9.8093 9.8093 13.2654 13.2654 13.9638 13.9638 14.0420 14.0420 16.2901 16.2901 18.3820 18.3820 20.0349 20.0349 20.0742 20.0742 Writing output data file Si2Mo.save init_run : 0.17s CPU 0.29s WALL ( 1 calls) electrons : 79.91s CPU 81.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 79.91s CPU 81.42s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 447 calls) cegterg : 71.50s CPU 72.57s WALL ( 474 calls) Called by sum_band: Called by *egterg: h_psi : 46.72s CPU 47.83s WALL ( 7907 calls) s_psi : 1.81s CPU 1.87s WALL ( 7907 calls) g_psi : 0.05s CPU 0.07s WALL ( 6986 calls) cdiaghg : 24.99s CPU 24.86s WALL ( 7433 calls) cegterg:over : 1.66s CPU 1.69s WALL ( 6986 calls) cegterg:upda : 1.06s CPU 1.17s WALL ( 6986 calls) cegterg:last : 0.56s CPU 0.68s WALL ( 1368 calls) cdiaghg:chol : 1.33s CPU 1.26s WALL ( 7433 calls) cdiaghg:inve : 0.45s CPU 0.54s WALL ( 7433 calls) cdiaghg:para : 1.39s CPU 1.51s WALL ( 14866 calls) Called by h_psi: h_psi:vloc : 42.52s CPU 43.53s WALL ( 7907 calls) h_psi:vnl : 4.16s CPU 4.26s WALL ( 7907 calls) add_vuspsi : 2.38s CPU 2.41s WALL ( 7907 calls) General routines calbec : 1.76s CPU 1.83s WALL ( 7907 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 40.06s CPU 41.03s WALL ( 531296 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.11s WALL ( 894 calls) Parallel routines fft_scatter : 14.73s CPU 15.01s WALL ( 531319 calls) PWSCF : 1m30.29s CPU 1m58.45s WALL This run was terminated on: 20:58:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=