Program PWSCF v.5.1.1 starts on 13Jun2016 at 9:12:25 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaGeN2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 30 8 1438 615 95 Max 53 31 9 1441 634 99 Sum 2507 1443 415 69055 29917 4667 bravais-lattice index = 14 lattice parameter (alat) = 9.9126 a.u. unit-cell volume = 710.6815 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.912629 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.465005 celldm(5)= -0.465005 celldm(6)= -0.069990 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.069990 0.997548 0.000000 ) a(3) = ( -0.465005 -0.498774 0.731433 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.070162 0.683589 ) b(2) = ( 0.000000 1.002458 0.683589 ) b(3) = ( 0.000000 0.000000 1.367179 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Ca 10.00 40.07800 Ca( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0349948 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4987739 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3657167 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 322 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0000000 0.0000000 0.0166729), wk = 0.0031056 k( 3) = ( 0.0000000 0.0000000 0.0333458), wk = 0.0031056 k( 4) = ( 0.0000000 0.0000000 0.0500187), wk = 0.0031056 k( 5) = ( 0.0000000 0.0000000 0.0666916), wk = 0.0031056 k( 6) = ( 0.0000000 0.0000000 0.0833645), wk = 0.0031056 k( 7) = ( 0.0000000 0.0000000 0.1000375), wk = 0.0031056 k( 8) = ( 0.0000000 0.0000000 0.1167104), wk = 0.0031056 k( 9) = ( 0.0000000 0.0000000 0.1333833), wk = 0.0031056 k( 10) = ( 0.0000000 0.0000000 0.1500562), wk = 0.0031056 k( 11) = ( 0.0000000 0.0000000 0.1667291), wk = 0.0031056 k( 12) = ( 0.0000000 0.0000000 0.1834020), wk = 0.0031056 k( 13) = ( 0.0000000 0.0000000 0.2000749), wk = 0.0031056 k( 14) = ( 0.0000000 0.0000000 0.2167478), wk = 0.0031056 k( 15) = ( 0.0000000 0.0000000 0.2334207), wk = 0.0031056 k( 16) = ( 0.0000000 0.0000000 0.2500936), wk = 0.0031056 k( 17) = ( 0.0000000 0.0000000 0.2667665), wk = 0.0031056 k( 18) = ( 0.0000000 0.0000000 0.2834394), wk = 0.0031056 k( 19) = ( 0.0000000 0.0000000 0.3001124), wk = 0.0031056 k( 20) = ( 0.0000000 0.0000000 0.3167853), wk = 0.0031056 k( 21) = ( 0.0000000 0.0000000 0.3334582), wk = 0.0031056 k( 22) = ( 0.0000000 0.0000000 0.3501311), wk = 0.0031056 k( 23) = ( 0.0000000 0.0000000 0.3668040), wk = 0.0031056 k( 24) = ( 0.0000000 0.0000000 0.3834769), wk = 0.0031056 k( 25) = ( 0.0000000 0.0000000 0.4001498), wk = 0.0031056 k( 26) = ( 0.0000000 0.0000000 0.4168227), wk = 0.0031056 k( 27) = ( 0.0000000 0.0000000 0.4334956), wk = 0.0031056 k( 28) = ( 0.0000000 0.0000000 0.4501685), wk = 0.0031056 k( 29) = ( 0.0000000 0.0000000 0.4668414), wk = 0.0031056 k( 30) = ( 0.0000000 0.0000000 0.4835144), wk = 0.0031056 k( 31) = ( 0.0000000 0.0000000 0.5001873), wk = 0.0031056 k( 32) = ( 0.0000000 0.0000000 0.5168602), wk = 0.0031056 k( 33) = ( 0.0000000 0.0000000 0.5335331), wk = 0.0031056 k( 34) = ( 0.0000000 0.0000000 0.5502060), wk = 0.0031056 k( 35) = ( 0.0000000 0.0000000 0.5668789), wk = 0.0031056 k( 36) = ( 0.0000000 0.0000000 0.5835518), wk = 0.0031056 k( 37) = ( 0.0000000 0.0000000 0.6002247), wk = 0.0031056 k( 38) = ( 0.0000000 0.0000000 0.6168976), wk = 0.0031056 k( 39) = ( 0.0000000 0.0000000 0.6335705), wk = 0.0031056 k( 40) = ( 0.0000000 0.0000000 0.6502435), wk = 0.0031056 k( 41) = ( 0.0000000 0.0000000 0.6669164), wk = 0.0031056 k( 42) = ( 0.0000000 0.0000000 0.6835893), wk = 0.0031056 k( 43) = ( 0.0000000 0.0000000 0.6835893), wk = 0.0031056 k( 44) = ( -0.0119845 0.0111731 0.6835893), wk = 0.0031056 k( 45) = ( -0.0239690 0.0223462 0.6835893), wk = 0.0031056 k( 46) = ( -0.0359536 0.0335194 0.6835893), wk = 0.0031056 k( 47) = ( -0.0479381 0.0446925 0.6835893), wk = 0.0031056 k( 48) = ( -0.0599226 0.0558656 0.6835893), wk = 0.0031056 k( 49) = ( -0.0719071 0.0670387 0.6835893), wk = 0.0031056 k( 50) = ( -0.0838916 0.0782119 0.6835893), wk = 0.0031056 k( 51) = ( -0.0958761 0.0893850 0.6835893), wk = 0.0031056 k( 52) = ( -0.1078606 0.1005581 0.6835893), wk = 0.0031056 k( 53) = ( -0.1198451 0.1117312 0.6835893), wk = 0.0031056 k( 54) = ( -0.1318297 0.1229044 0.6835893), wk = 0.0031056 k( 55) = ( -0.1438142 0.1340775 0.6835893), wk = 0.0031056 k( 56) = ( -0.1557987 0.1452506 0.6835893), wk = 0.0031056 k( 57) = ( -0.1677832 0.1564237 0.6835893), wk = 0.0031056 k( 58) = ( -0.1797677 0.1675969 0.6835893), wk = 0.0031056 k( 59) = ( -0.1917522 0.1787700 0.6835893), wk = 0.0031056 k( 60) = ( -0.2037368 0.1899431 0.6835893), wk = 0.0031056 k( 61) = ( -0.2157213 0.2011162 0.6835893), wk = 0.0031056 k( 62) = ( -0.2277058 0.2122894 0.6835893), wk = 0.0031056 k( 63) = ( -0.2396903 0.2234625 0.6835893), wk = 0.0031056 k( 64) = ( -0.2516748 0.2346356 0.6835893), wk = 0.0031056 k( 65) = ( -0.2636593 0.2458087 0.6835893), wk = 0.0031056 k( 66) = ( -0.2756439 0.2569819 0.6835893), wk = 0.0031056 k( 67) = ( -0.2876284 0.2681550 0.6835893), wk = 0.0031056 k( 68) = ( -0.2876284 0.2681550 0.6835893), wk = 0.0031056 k( 69) = ( -0.2957965 0.2757701 0.6724220), wk = 0.0031056 k( 70) = ( -0.3039646 0.2833852 0.6612547), wk = 0.0031056 k( 71) = ( -0.3121328 0.2910004 0.6500873), wk = 0.0031056 k( 72) = ( -0.3203009 0.2986155 0.6389200), wk = 0.0031056 k( 73) = ( -0.3284691 0.3062306 0.6277527), wk = 0.0031056 k( 74) = ( -0.3366372 0.3138458 0.6165854), wk = 0.0031056 k( 75) = ( -0.3448053 0.3214609 0.6054181), wk = 0.0031056 k( 76) = ( -0.3529735 0.3290760 0.5942508), wk = 0.0031056 k( 77) = ( -0.3611416 0.3366911 0.5830835), wk = 0.0031056 k( 78) = ( -0.3693098 0.3443063 0.5719162), wk = 0.0031056 k( 79) = ( -0.3774779 0.3519214 0.5607489), wk = 0.0031056 k( 80) = ( -0.3856460 0.3595365 0.5495816), wk = 0.0031056 k( 81) = ( -0.3938142 0.3671517 0.5384143), wk = 0.0031056 k( 82) = ( -0.3938142 0.3671517 0.5384143), wk = 0.0031056 k( 83) = ( -0.3852530 0.3591701 0.5267096), wk = 0.0031056 k( 84) = ( -0.3766918 0.3511886 0.5150050), wk = 0.0031056 k( 85) = ( -0.3681307 0.3432070 0.5033003), wk = 0.0031056 k( 86) = ( -0.3595695 0.3352254 0.4915957), wk = 0.0031056 k( 87) = ( -0.3510083 0.3272439 0.4798910), wk = 0.0031056 k( 88) = ( -0.3424471 0.3192623 0.4681863), wk = 0.0031056 k( 89) = ( -0.3338859 0.3112808 0.4564817), wk = 0.0031056 k( 90) = ( -0.3253248 0.3032992 0.4447770), wk = 0.0031056 k( 91) = ( -0.3167636 0.2953176 0.4330724), wk = 0.0031056 k( 92) = ( -0.3082024 0.2873361 0.4213677), wk = 0.0031056 k( 93) = ( -0.2996412 0.2793545 0.4096631), wk = 0.0031056 k( 94) = ( -0.2910800 0.2713730 0.3979584), wk = 0.0031056 k( 95) = ( -0.2825189 0.2633914 0.3862537), wk = 0.0031056 k( 96) = ( -0.2739577 0.2554099 0.3745491), wk = 0.0031056 k( 97) = ( -0.2653965 0.2474283 0.3628444), wk = 0.0031056 k( 98) = ( -0.2568353 0.2394467 0.3511398), wk = 0.0031056 k( 99) = ( -0.2482742 0.2314652 0.3394351), wk = 0.0031056 k( 100) = ( -0.2397130 0.2234836 0.3277304), wk = 0.0031056 k( 101) = ( -0.2311518 0.2155021 0.3160258), wk = 0.0031056 k( 102) = ( -0.2225906 0.2075205 0.3043211), wk = 0.0031056 k( 103) = ( -0.2140295 0.1995390 0.2926165), wk = 0.0031056 k( 104) = ( -0.2054683 0.1915574 0.2809118), wk = 0.0031056 k( 105) = ( -0.1969071 0.1835758 0.2692071), wk = 0.0031056 k( 106) = ( -0.1883459 0.1755943 0.2575025), wk = 0.0031056 k( 107) = ( -0.1797847 0.1676127 0.2457978), wk = 0.0031056 k( 108) = ( -0.1712236 0.1596312 0.2340932), wk = 0.0031056 k( 109) = ( -0.1626624 0.1516496 0.2223885), wk = 0.0031056 k( 110) = ( -0.1541012 0.1436680 0.2106839), wk = 0.0031056 k( 111) = ( -0.1455400 0.1356865 0.1989792), wk = 0.0031056 k( 112) = ( -0.1369789 0.1277049 0.1872745), wk = 0.0031056 k( 113) = ( -0.1284177 0.1197234 0.1755699), wk = 0.0031056 k( 114) = ( -0.1198565 0.1117418 0.1638652), wk = 0.0031056 k( 115) = ( -0.1112953 0.1037603 0.1521606), wk = 0.0031056 k( 116) = ( -0.1027341 0.0957787 0.1404559), wk = 0.0031056 k( 117) = ( -0.0941730 0.0877971 0.1287512), wk = 0.0031056 k( 118) = ( -0.0856118 0.0798156 0.1170466), wk = 0.0031056 k( 119) = ( -0.0770506 0.0718340 0.1053419), wk = 0.0031056 k( 120) = ( -0.0684894 0.0638525 0.0936373), wk = 0.0031056 k( 121) = ( -0.0599283 0.0558709 0.0819326), wk = 0.0031056 k( 122) = ( -0.0513671 0.0478894 0.0702280), wk = 0.0031056 k( 123) = ( -0.0428059 0.0399078 0.0585233), wk = 0.0031056 k( 124) = ( -0.0342447 0.0319262 0.0468186), wk = 0.0031056 k( 125) = ( -0.0256835 0.0239447 0.0351140), wk = 0.0031056 k( 126) = ( -0.0171224 0.0159631 0.0234093), wk = 0.0031056 k( 127) = ( -0.0085612 0.0079816 0.0117047), wk = 0.0031056 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 130) = ( 0.0113636 0.0121889 -0.0000000), wk = 0.0031056 k( 131) = ( 0.0227273 0.0243777 -0.0000000), wk = 0.0031056 k( 132) = ( 0.0340909 0.0365666 -0.0000000), wk = 0.0031056 k( 133) = ( 0.0454546 0.0487555 -0.0000000), wk = 0.0031056 k( 134) = ( 0.0568182 0.0609443 -0.0000000), wk = 0.0031056 k( 135) = ( 0.0681818 0.0731332 -0.0000000), wk = 0.0031056 k( 136) = ( 0.0795455 0.0853220 -0.0000000), wk = 0.0031056 k( 137) = ( 0.0909091 0.0975109 -0.0000000), wk = 0.0031056 k( 138) = ( 0.1022727 0.1096998 -0.0000000), wk = 0.0031056 k( 139) = ( 0.1136364 0.1218886 -0.0000000), wk = 0.0031056 k( 140) = ( 0.1250000 0.1340775 -0.0000000), wk = 0.0031056 k( 141) = ( 0.1363636 0.1462664 -0.0000000), wk = 0.0031056 k( 142) = ( 0.1477273 0.1584552 -0.0000000), wk = 0.0031056 k( 143) = ( 0.1590909 0.1706441 -0.0000000), wk = 0.0031056 k( 144) = ( 0.1704546 0.1828329 -0.0000000), wk = 0.0031056 k( 145) = ( 0.1818182 0.1950218 -0.0000000), wk = 0.0031056 k( 146) = ( 0.1931818 0.2072107 -0.0000000), wk = 0.0031056 k( 147) = ( 0.2045454 0.2193995 -0.0000000), wk = 0.0031056 k( 148) = ( 0.2159091 0.2315884 -0.0000000), wk = 0.0031056 k( 149) = ( 0.2272727 0.2437773 -0.0000000), wk = 0.0031056 k( 150) = ( 0.2386364 0.2559661 -0.0000000), wk = 0.0031056 k( 151) = ( 0.2500000 0.2681550 -0.0000000), wk = 0.0031056 k( 152) = ( 0.2613636 0.2803438 -0.0000000), wk = 0.0031056 k( 153) = ( 0.2727273 0.2925327 -0.0000000), wk = 0.0031056 k( 154) = ( 0.2840909 0.3047216 -0.0000000), wk = 0.0031056 k( 155) = ( 0.2954545 0.3169104 -0.0000000), wk = 0.0031056 k( 156) = ( 0.3068182 0.3290993 -0.0000000), wk = 0.0031056 k( 157) = ( 0.3181818 0.3412882 -0.0000000), wk = 0.0031056 k( 158) = ( 0.3295455 0.3534770 -0.0000000), wk = 0.0031056 k( 159) = ( 0.3409091 0.3656659 -0.0000000), wk = 0.0031056 k( 160) = ( 0.3522727 0.3778547 -0.0000000), wk = 0.0031056 k( 161) = ( 0.3636364 0.3900436 -0.0000000), wk = 0.0031056 k( 162) = ( 0.3750000 0.4022325 -0.0000000), wk = 0.0031056 k( 163) = ( 0.3863636 0.4144213 -0.0000000), wk = 0.0031056 k( 164) = ( 0.3977273 0.4266102 -0.0000000), wk = 0.0031056 k( 165) = ( 0.4090909 0.4387991 -0.0000000), wk = 0.0031056 k( 166) = ( 0.4204545 0.4509879 -0.0000000), wk = 0.0031056 k( 167) = ( 0.4318182 0.4631768 -0.0000000), wk = 0.0031056 k( 168) = ( 0.4431818 0.4753656 -0.0000000), wk = 0.0031056 k( 169) = ( 0.4545455 0.4875545 -0.0000000), wk = 0.0031056 k( 170) = ( 0.4659091 0.4997434 -0.0000000), wk = 0.0031056 k( 171) = ( 0.4772727 0.5119322 -0.0000000), wk = 0.0031056 k( 172) = ( 0.4886364 0.5241211 -0.0000000), wk = 0.0031056 k( 173) = ( 0.5000000 0.5363100 -0.0000000), wk = 0.0031056 k( 174) = ( 0.5000000 0.5363100 -0.0000000), wk = 0.0031056 k( 175) = ( 0.4918319 0.5439251 0.0111673), wk = 0.0031056 k( 176) = ( 0.4836637 0.5515402 0.0223346), wk = 0.0031056 k( 177) = ( 0.4754956 0.5591553 0.0335019), wk = 0.0031056 k( 178) = ( 0.4673274 0.5667705 0.0446692), wk = 0.0031056 k( 179) = ( 0.4591593 0.5743856 0.0558365), wk = 0.0031056 k( 180) = ( 0.4509912 0.5820007 0.0670038), wk = 0.0031056 k( 181) = ( 0.4428230 0.5896159 0.0781711), wk = 0.0031056 k( 182) = ( 0.4346549 0.5972310 0.0893384), wk = 0.0031056 k( 183) = ( 0.4264867 0.6048461 0.1005058), wk = 0.0031056 k( 184) = ( 0.4183186 0.6124613 0.1116731), wk = 0.0031056 k( 185) = ( 0.4101505 0.6200764 0.1228404), wk = 0.0031056 k( 186) = ( 0.4019823 0.6276915 0.1340077), wk = 0.0031056 k( 187) = ( 0.3938142 0.6353066 0.1451750), wk = 0.0031056 k( 188) = ( 0.3938142 0.6353066 0.1451750), wk = 0.0031056 k( 189) = ( 0.3797494 0.6305182 0.1521971), wk = 0.0031056 k( 190) = ( 0.3656846 0.6257297 0.1592192), wk = 0.0031056 k( 191) = ( 0.3516198 0.6209412 0.1662414), wk = 0.0031056 k( 192) = ( 0.3375550 0.6161527 0.1732635), wk = 0.0031056 k( 193) = ( 0.3234902 0.6113642 0.1802856), wk = 0.0031056 k( 194) = ( 0.3094254 0.6065757 0.1873078), wk = 0.0031056 k( 195) = ( 0.2953606 0.6017873 0.1943299), wk = 0.0031056 k( 196) = ( 0.2812958 0.5969988 0.2013520), wk = 0.0031056 k( 197) = ( 0.2672311 0.5922103 0.2083741), wk = 0.0031056 k( 198) = ( 0.2531663 0.5874218 0.2153963), wk = 0.0031056 k( 199) = ( 0.2391015 0.5826333 0.2224184), wk = 0.0031056 k( 200) = ( 0.2250367 0.5778449 0.2294405), wk = 0.0031056 k( 201) = ( 0.2109719 0.5730564 0.2364627), wk = 0.0031056 k( 202) = ( 0.1969071 0.5682679 0.2434848), wk = 0.0031056 k( 203) = ( 0.1828423 0.5634794 0.2505069), wk = 0.0031056 k( 204) = ( 0.1687775 0.5586909 0.2575291), wk = 0.0031056 k( 205) = ( 0.1547127 0.5539025 0.2645512), wk = 0.0031056 k( 206) = ( 0.1406479 0.5491140 0.2715733), wk = 0.0031056 k( 207) = ( 0.1265831 0.5443255 0.2785955), wk = 0.0031056 k( 208) = ( 0.1125183 0.5395370 0.2856176), wk = 0.0031056 k( 209) = ( 0.0984536 0.5347485 0.2926397), wk = 0.0031056 k( 210) = ( 0.0843887 0.5299600 0.2996618), wk = 0.0031056 k( 211) = ( 0.0703240 0.5251716 0.3066840), wk = 0.0031056 k( 212) = ( 0.0562592 0.5203831 0.3137061), wk = 0.0031056 k( 213) = ( 0.0421944 0.5155946 0.3207282), wk = 0.0031056 k( 214) = ( 0.0281296 0.5108061 0.3277504), wk = 0.0031056 k( 215) = ( 0.0140648 0.5060176 0.3347725), wk = 0.0031056 k( 216) = ( 0.0000000 0.5012292 0.3417946), wk = 0.0031056 k( 217) = ( 0.0000000 0.5012292 0.3417946), wk = 0.0031056 k( 218) = ( 0.0086207 0.4931921 0.3535807), wk = 0.0031056 k( 219) = ( 0.0172414 0.4851551 0.3653667), wk = 0.0031056 k( 220) = ( 0.0258621 0.4771180 0.3771527), wk = 0.0031056 k( 221) = ( 0.0344828 0.4690810 0.3889387), wk = 0.0031056 k( 222) = ( 0.0431035 0.4610439 0.4007247), wk = 0.0031056 k( 223) = ( 0.0517241 0.4530069 0.4125108), wk = 0.0031056 k( 224) = ( 0.0603448 0.4449699 0.4242968), wk = 0.0031056 k( 225) = ( 0.0689655 0.4369328 0.4360828), wk = 0.0031056 k( 226) = ( 0.0775862 0.4288958 0.4478688), wk = 0.0031056 k( 227) = ( 0.0862069 0.4208587 0.4596549), wk = 0.0031056 k( 228) = ( 0.0948276 0.4128217 0.4714409), wk = 0.0031056 k( 229) = ( 0.1034483 0.4047847 0.4832269), wk = 0.0031056 k( 230) = ( 0.1120690 0.3967476 0.4950129), wk = 0.0031056 k( 231) = ( 0.1206897 0.3887106 0.5067989), wk = 0.0031056 k( 232) = ( 0.1293103 0.3806735 0.5185850), wk = 0.0031056 k( 233) = ( 0.1379310 0.3726365 0.5303710), wk = 0.0031056 k( 234) = ( 0.1465517 0.3645995 0.5421570), wk = 0.0031056 k( 235) = ( 0.1551724 0.3565624 0.5539430), wk = 0.0031056 k( 236) = ( 0.1637931 0.3485254 0.5657290), wk = 0.0031056 k( 237) = ( 0.1724138 0.3404883 0.5775151), wk = 0.0031056 k( 238) = ( 0.1810345 0.3324513 0.5893011), wk = 0.0031056 k( 239) = ( 0.1896552 0.3244143 0.6010871), wk = 0.0031056 k( 240) = ( 0.1982759 0.3163772 0.6128731), wk = 0.0031056 k( 241) = ( 0.2068966 0.3083402 0.6246592), wk = 0.0031056 k( 242) = ( 0.2155172 0.3003031 0.6364452), wk = 0.0031056 k( 243) = ( 0.2241379 0.2922661 0.6482312), wk = 0.0031056 k( 244) = ( 0.2327586 0.2842291 0.6600172), wk = 0.0031056 k( 245) = ( 0.2413793 0.2761920 0.6718032), wk = 0.0031056 k( 246) = ( 0.2500000 0.2681550 0.6835893), wk = 0.0031056 k( 247) = ( 0.2500000 0.2681550 0.6835893), wk = 0.0031056 k( 248) = ( 0.2575758 0.2762809 0.6716729), wk = 0.0031056 k( 249) = ( 0.2651515 0.2844068 0.6597566), wk = 0.0031056 k( 250) = ( 0.2727273 0.2925327 0.6478402), wk = 0.0031056 k( 251) = ( 0.2803030 0.3006586 0.6359239), wk = 0.0031056 k( 252) = ( 0.2878788 0.3087845 0.6240076), wk = 0.0031056 k( 253) = ( 0.2954545 0.3169104 0.6120912), wk = 0.0031056 k( 254) = ( 0.3030303 0.3250363 0.6001749), wk = 0.0031056 k( 255) = ( 0.3106061 0.3331622 0.5882585), wk = 0.0031056 k( 256) = ( 0.3181818 0.3412882 0.5763422), wk = 0.0031056 k( 257) = ( 0.3257576 0.3494141 0.5644258), wk = 0.0031056 k( 258) = ( 0.3333333 0.3575400 0.5525095), wk = 0.0031056 k( 259) = ( 0.3409091 0.3656659 0.5405932), wk = 0.0031056 k( 260) = ( 0.3484849 0.3737918 0.5286768), wk = 0.0031056 k( 261) = ( 0.3560606 0.3819177 0.5167605), wk = 0.0031056 k( 262) = ( 0.3636364 0.3900436 0.5048441), wk = 0.0031056 k( 263) = ( 0.3712121 0.3981695 0.4929278), wk = 0.0031056 k( 264) = ( 0.3787879 0.4062954 0.4810114), wk = 0.0031056 k( 265) = ( 0.3863636 0.4144213 0.4690951), wk = 0.0031056 k( 266) = ( 0.3939394 0.4225472 0.4571787), wk = 0.0031056 k( 267) = ( 0.4015151 0.4306731 0.4452624), wk = 0.0031056 k( 268) = ( 0.4090909 0.4387991 0.4333461), wk = 0.0031056 k( 269) = ( 0.4166667 0.4469250 0.4214297), wk = 0.0031056 k( 270) = ( 0.4242424 0.4550509 0.4095134), wk = 0.0031056 k( 271) = ( 0.4318182 0.4631768 0.3975970), wk = 0.0031056 k( 272) = ( 0.4393939 0.4713027 0.3856807), wk = 0.0031056 k( 273) = ( 0.4469697 0.4794286 0.3737644), wk = 0.0031056 k( 274) = ( 0.4545455 0.4875545 0.3618480), wk = 0.0031056 k( 275) = ( 0.4621212 0.4956804 0.3499317), wk = 0.0031056 k( 276) = ( 0.4696970 0.5038063 0.3380153), wk = 0.0031056 k( 277) = ( 0.4772727 0.5119322 0.3260990), wk = 0.0031056 k( 278) = ( 0.4848485 0.5200581 0.3141826), wk = 0.0031056 k( 279) = ( 0.4924242 0.5281840 0.3022663), wk = 0.0031056 k( 280) = ( 0.5000000 0.5363100 0.2903499), wk = 0.0031056 k( 281) = ( 0.5000000 0.5363100 0.2903499), wk = 0.0031056 k( 282) = ( 0.5000000 0.5363100 0.2742194), wk = 0.0031056 k( 283) = ( 0.5000000 0.5363100 0.2580888), wk = 0.0031056 k( 284) = ( 0.5000000 0.5363100 0.2419583), wk = 0.0031056 k( 285) = ( 0.5000000 0.5363100 0.2258277), wk = 0.0031056 k( 286) = ( 0.5000000 0.5363100 0.2096972), wk = 0.0031056 k( 287) = ( 0.5000000 0.5363100 0.1935666), wk = 0.0031056 k( 288) = ( 0.5000000 0.5363100 0.1774361), wk = 0.0031056 k( 289) = ( 0.5000000 0.5363100 0.1613055), wk = 0.0031056 k( 290) = ( 0.5000000 0.5363100 0.1451750), wk = 0.0031056 k( 291) = ( 0.5000000 0.5363100 0.1290444), wk = 0.0031056 k( 292) = ( 0.5000000 0.5363100 0.1129139), wk = 0.0031056 k( 293) = ( 0.5000000 0.5363100 0.0967833), wk = 0.0031056 k( 294) = ( 0.5000000 0.5363100 0.0806528), wk = 0.0031056 k( 295) = ( 0.5000000 0.5363100 0.0645222), wk = 0.0031056 k( 296) = ( 0.5000000 0.5363100 0.0483917), wk = 0.0031056 k( 297) = ( 0.5000000 0.5363100 0.0322611), wk = 0.0031056 k( 298) = ( 0.5000000 0.5363100 0.0161305), wk = 0.0031056 k( 299) = ( 0.5000000 0.5363100 -0.0000000), wk = 0.0031056 k( 300) = ( 0.0000000 0.0000000 0.6835893), wk = 0.0031056 k( 301) = ( 0.0113636 0.0121889 0.6835893), wk = 0.0031056 k( 302) = ( 0.0227273 0.0243777 0.6835893), wk = 0.0031056 k( 303) = ( 0.0340909 0.0365666 0.6835893), wk = 0.0031056 k( 304) = ( 0.0454546 0.0487555 0.6835893), wk = 0.0031056 k( 305) = ( 0.0568182 0.0609443 0.6835893), wk = 0.0031056 k( 306) = ( 0.0681818 0.0731332 0.6835893), wk = 0.0031056 k( 307) = ( 0.0795455 0.0853220 0.6835893), wk = 0.0031056 k( 308) = ( 0.0909091 0.0975109 0.6835893), wk = 0.0031056 k( 309) = ( 0.1022727 0.1096998 0.6835893), wk = 0.0031056 k( 310) = ( 0.1136364 0.1218886 0.6835893), wk = 0.0031056 k( 311) = ( 0.1250000 0.1340775 0.6835893), wk = 0.0031056 k( 312) = ( 0.1363636 0.1462664 0.6835893), wk = 0.0031056 k( 313) = ( 0.1477273 0.1584552 0.6835893), wk = 0.0031056 k( 314) = ( 0.1590909 0.1706441 0.6835893), wk = 0.0031056 k( 315) = ( 0.1704546 0.1828329 0.6835893), wk = 0.0031056 k( 316) = ( 0.1818182 0.1950218 0.6835893), wk = 0.0031056 k( 317) = ( 0.1931818 0.2072107 0.6835893), wk = 0.0031056 k( 318) = ( 0.2045454 0.2193995 0.6835893), wk = 0.0031056 k( 319) = ( 0.2159091 0.2315884 0.6835893), wk = 0.0031056 k( 320) = ( 0.2272727 0.2437773 0.6835893), wk = 0.0031056 k( 321) = ( 0.2386364 0.2559661 0.6835893), wk = 0.0031056 k( 322) = ( 0.2500000 0.2681550 0.6835893), wk = 0.0031056 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0031056 k( 3) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0031056 k( 4) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0031056 k( 5) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0031056 k( 6) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0031056 k( 7) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0031056 k( 8) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0031056 k( 9) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0031056 k( 10) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0031056 k( 11) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0031056 k( 12) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0031056 k( 13) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0031056 k( 14) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0031056 k( 15) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0031056 k( 16) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0031056 k( 17) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0031056 k( 18) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0031056 k( 19) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0031056 k( 20) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0031056 k( 21) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0031056 k( 22) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0031056 k( 23) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0031056 k( 24) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0031056 k( 25) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0031056 k( 26) = ( 0.0000000 0.0000000 0.3048780), wk = 0.0031056 k( 27) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0031056 k( 28) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0031056 k( 29) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0031056 k( 30) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0031056 k( 31) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0031056 k( 32) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0031056 k( 33) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0031056 k( 34) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0031056 k( 35) = ( 0.0000000 0.0000000 0.4146341), wk = 0.0031056 k( 36) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0031056 k( 37) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0031056 k( 38) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0031056 k( 39) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0031056 k( 40) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0031056 k( 41) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0031056 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031056 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031056 k( 44) = ( -0.0119845 0.0119845 0.5000000), wk = 0.0031056 k( 45) = ( -0.0239690 0.0239690 0.5000000), wk = 0.0031056 k( 46) = ( -0.0359536 0.0359535 0.5000000), wk = 0.0031056 k( 47) = ( -0.0479381 0.0479381 0.5000000), wk = 0.0031056 k( 48) = ( -0.0599226 0.0599226 0.5000000), wk = 0.0031056 k( 49) = ( -0.0719071 0.0719071 0.5000000), wk = 0.0031056 k( 50) = ( -0.0838916 0.0838916 0.5000000), wk = 0.0031056 k( 51) = ( -0.0958761 0.0958761 0.5000000), wk = 0.0031056 k( 52) = ( -0.1078606 0.1078606 0.5000000), wk = 0.0031056 k( 53) = ( -0.1198451 0.1198451 0.5000000), wk = 0.0031056 k( 54) = ( -0.1318297 0.1318297 0.5000000), wk = 0.0031056 k( 55) = ( -0.1438142 0.1438142 0.5000000), wk = 0.0031056 k( 56) = ( -0.1557987 0.1557987 0.5000000), wk = 0.0031056 k( 57) = ( -0.1677832 0.1677832 0.5000000), wk = 0.0031056 k( 58) = ( -0.1797677 0.1797677 0.5000000), wk = 0.0031056 k( 59) = ( -0.1917522 0.1917522 0.5000000), wk = 0.0031056 k( 60) = ( -0.2037368 0.2037368 0.5000000), wk = 0.0031056 k( 61) = ( -0.2157213 0.2157213 0.5000000), wk = 0.0031056 k( 62) = ( -0.2277058 0.2277058 0.5000000), wk = 0.0031056 k( 63) = ( -0.2396903 0.2396903 0.5000000), wk = 0.0031056 k( 64) = ( -0.2516748 0.2516748 0.5000000), wk = 0.0031056 k( 65) = ( -0.2636593 0.2636593 0.5000000), wk = 0.0031056 k( 66) = ( -0.2756439 0.2756438 0.5000000), wk = 0.0031056 k( 67) = ( -0.2876284 0.2876284 0.5000000), wk = 0.0031056 k( 68) = ( -0.2876284 0.2876284 0.5000000), wk = 0.0031056 k( 69) = ( -0.2957965 0.2957965 0.4918319), wk = 0.0031056 k( 70) = ( -0.3039646 0.3039646 0.4836637), wk = 0.0031056 k( 71) = ( -0.3121328 0.3121328 0.4754956), wk = 0.0031056 k( 72) = ( -0.3203009 0.3203009 0.4673274), wk = 0.0031056 k( 73) = ( -0.3284691 0.3284691 0.4591593), wk = 0.0031056 k( 74) = ( -0.3366372 0.3366372 0.4509912), wk = 0.0031056 k( 75) = ( -0.3448053 0.3448053 0.4428230), wk = 0.0031056 k( 76) = ( -0.3529735 0.3529735 0.4346549), wk = 0.0031056 k( 77) = ( -0.3611416 0.3611416 0.4264867), wk = 0.0031056 k( 78) = ( -0.3693098 0.3693098 0.4183186), wk = 0.0031056 k( 79) = ( -0.3774779 0.3774779 0.4101505), wk = 0.0031056 k( 80) = ( -0.3856460 0.3856460 0.4019823), wk = 0.0031056 k( 81) = ( -0.3938142 0.3938142 0.3938142), wk = 0.0031056 k( 82) = ( -0.3938142 0.3938142 0.3938142), wk = 0.0031056 k( 83) = ( -0.3852530 0.3852530 0.3852530), wk = 0.0031056 k( 84) = ( -0.3766918 0.3766918 0.3766918), wk = 0.0031056 k( 85) = ( -0.3681307 0.3681306 0.3681306), wk = 0.0031056 k( 86) = ( -0.3595695 0.3595695 0.3595695), wk = 0.0031056 k( 87) = ( -0.3510083 0.3510083 0.3510083), wk = 0.0031056 k( 88) = ( -0.3424471 0.3424471 0.3424471), wk = 0.0031056 k( 89) = ( -0.3338859 0.3338859 0.3338859), wk = 0.0031056 k( 90) = ( -0.3253248 0.3253248 0.3253248), wk = 0.0031056 k( 91) = ( -0.3167636 0.3167636 0.3167636), wk = 0.0031056 k( 92) = ( -0.3082024 0.3082024 0.3082024), wk = 0.0031056 k( 93) = ( -0.2996412 0.2996412 0.2996412), wk = 0.0031056 k( 94) = ( -0.2910800 0.2910800 0.2910800), wk = 0.0031056 k( 95) = ( -0.2825189 0.2825189 0.2825189), wk = 0.0031056 k( 96) = ( -0.2739577 0.2739577 0.2739577), wk = 0.0031056 k( 97) = ( -0.2653965 0.2653965 0.2653965), wk = 0.0031056 k( 98) = ( -0.2568353 0.2568353 0.2568353), wk = 0.0031056 k( 99) = ( -0.2482742 0.2482742 0.2482742), wk = 0.0031056 k( 100) = ( -0.2397130 0.2397130 0.2397130), wk = 0.0031056 k( 101) = ( -0.2311518 0.2311518 0.2311518), wk = 0.0031056 k( 102) = ( -0.2225906 0.2225906 0.2225906), wk = 0.0031056 k( 103) = ( -0.2140295 0.2140295 0.2140294), wk = 0.0031056 k( 104) = ( -0.2054683 0.2054683 0.2054683), wk = 0.0031056 k( 105) = ( -0.1969071 0.1969071 0.1969071), wk = 0.0031056 k( 106) = ( -0.1883459 0.1883459 0.1883459), wk = 0.0031056 k( 107) = ( -0.1797847 0.1797847 0.1797847), wk = 0.0031056 k( 108) = ( -0.1712236 0.1712236 0.1712236), wk = 0.0031056 k( 109) = ( -0.1626624 0.1626624 0.1626624), wk = 0.0031056 k( 110) = ( -0.1541012 0.1541012 0.1541012), wk = 0.0031056 k( 111) = ( -0.1455400 0.1455400 0.1455400), wk = 0.0031056 k( 112) = ( -0.1369789 0.1369789 0.1369788), wk = 0.0031056 k( 113) = ( -0.1284177 0.1284177 0.1284177), wk = 0.0031056 k( 114) = ( -0.1198565 0.1198565 0.1198565), wk = 0.0031056 k( 115) = ( -0.1112953 0.1112953 0.1112953), wk = 0.0031056 k( 116) = ( -0.1027341 0.1027341 0.1027341), wk = 0.0031056 k( 117) = ( -0.0941730 0.0941730 0.0941730), wk = 0.0031056 k( 118) = ( -0.0856118 0.0856118 0.0856118), wk = 0.0031056 k( 119) = ( -0.0770506 0.0770506 0.0770506), wk = 0.0031056 k( 120) = ( -0.0684894 0.0684894 0.0684894), wk = 0.0031056 k( 121) = ( -0.0599283 0.0599283 0.0599282), wk = 0.0031056 k( 122) = ( -0.0513671 0.0513671 0.0513671), wk = 0.0031056 k( 123) = ( -0.0428059 0.0428059 0.0428059), wk = 0.0031056 k( 124) = ( -0.0342447 0.0342447 0.0342447), wk = 0.0031056 k( 125) = ( -0.0256835 0.0256835 0.0256835), wk = 0.0031056 k( 126) = ( -0.0171224 0.0171224 0.0171224), wk = 0.0031056 k( 127) = ( -0.0085612 0.0085612 0.0085612), wk = 0.0031056 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 130) = ( 0.0113636 0.0113636 -0.0113636), wk = 0.0031056 k( 131) = ( 0.0227273 0.0227273 -0.0227273), wk = 0.0031056 k( 132) = ( 0.0340909 0.0340909 -0.0340909), wk = 0.0031056 k( 133) = ( 0.0454546 0.0454545 -0.0454546), wk = 0.0031056 k( 134) = ( 0.0568182 0.0568182 -0.0568182), wk = 0.0031056 k( 135) = ( 0.0681818 0.0681818 -0.0681818), wk = 0.0031056 k( 136) = ( 0.0795455 0.0795454 -0.0795455), wk = 0.0031056 k( 137) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0031056 k( 138) = ( 0.1022727 0.1022727 -0.1022727), wk = 0.0031056 k( 139) = ( 0.1136364 0.1136364 -0.1136364), wk = 0.0031056 k( 140) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0031056 k( 141) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0031056 k( 142) = ( 0.1477273 0.1477273 -0.1477273), wk = 0.0031056 k( 143) = ( 0.1590909 0.1590909 -0.1590909), wk = 0.0031056 k( 144) = ( 0.1704546 0.1704546 -0.1704546), wk = 0.0031056 k( 145) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0031056 k( 146) = ( 0.1931818 0.1931818 -0.1931818), wk = 0.0031056 k( 147) = ( 0.2045454 0.2045454 -0.2045454), wk = 0.0031056 k( 148) = ( 0.2159091 0.2159091 -0.2159091), wk = 0.0031056 k( 149) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0031056 k( 150) = ( 0.2386364 0.2386364 -0.2386364), wk = 0.0031056 k( 151) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0031056 k( 152) = ( 0.2613636 0.2613636 -0.2613636), wk = 0.0031056 k( 153) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0031056 k( 154) = ( 0.2840909 0.2840909 -0.2840909), wk = 0.0031056 k( 155) = ( 0.2954545 0.2954545 -0.2954545), wk = 0.0031056 k( 156) = ( 0.3068182 0.3068182 -0.3068182), wk = 0.0031056 k( 157) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0031056 k( 158) = ( 0.3295455 0.3295454 -0.3295455), wk = 0.0031056 k( 159) = ( 0.3409091 0.3409091 -0.3409091), wk = 0.0031056 k( 160) = ( 0.3522727 0.3522727 -0.3522727), wk = 0.0031056 k( 161) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0031056 k( 162) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0031056 k( 163) = ( 0.3863636 0.3863636 -0.3863636), wk = 0.0031056 k( 164) = ( 0.3977273 0.3977273 -0.3977273), wk = 0.0031056 k( 165) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0031056 k( 166) = ( 0.4204545 0.4204545 -0.4204545), wk = 0.0031056 k( 167) = ( 0.4318182 0.4318182 -0.4318182), wk = 0.0031056 k( 168) = ( 0.4431818 0.4431818 -0.4431818), wk = 0.0031056 k( 169) = ( 0.4545455 0.4545454 -0.4545455), wk = 0.0031056 k( 170) = ( 0.4659091 0.4659091 -0.4659091), wk = 0.0031056 k( 171) = ( 0.4772727 0.4772727 -0.4772727), wk = 0.0031056 k( 172) = ( 0.4886364 0.4886364 -0.4886364), wk = 0.0031056 k( 173) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031056 k( 174) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031056 k( 175) = ( 0.4918319 0.5081681 -0.4918319), wk = 0.0031056 k( 176) = ( 0.4836637 0.5163363 -0.4836637), wk = 0.0031056 k( 177) = ( 0.4754956 0.5245044 -0.4754956), wk = 0.0031056 k( 178) = ( 0.4673274 0.5326726 -0.4673274), wk = 0.0031056 k( 179) = ( 0.4591593 0.5408407 -0.4591593), wk = 0.0031056 k( 180) = ( 0.4509912 0.5490088 -0.4509912), wk = 0.0031056 k( 181) = ( 0.4428230 0.5571770 -0.4428230), wk = 0.0031056 k( 182) = ( 0.4346549 0.5653451 -0.4346549), wk = 0.0031056 k( 183) = ( 0.4264867 0.5735133 -0.4264867), wk = 0.0031056 k( 184) = ( 0.4183186 0.5816814 -0.4183186), wk = 0.0031056 k( 185) = ( 0.4101505 0.5898495 -0.4101505), wk = 0.0031056 k( 186) = ( 0.4019823 0.5980177 -0.4019823), wk = 0.0031056 k( 187) = ( 0.3938142 0.6061858 -0.3938142), wk = 0.0031056 k( 188) = ( 0.3938142 0.6061858 -0.3938142), wk = 0.0031056 k( 189) = ( 0.3797494 0.6023935 -0.3797494), wk = 0.0031056 k( 190) = ( 0.3656846 0.5986011 -0.3656846), wk = 0.0031056 k( 191) = ( 0.3516198 0.5948088 -0.3516198), wk = 0.0031056 k( 192) = ( 0.3375550 0.5910164 -0.3375550), wk = 0.0031056 k( 193) = ( 0.3234902 0.5872241 -0.3234902), wk = 0.0031056 k( 194) = ( 0.3094254 0.5834317 -0.3094254), wk = 0.0031056 k( 195) = ( 0.2953606 0.5796394 -0.2953606), wk = 0.0031056 k( 196) = ( 0.2812958 0.5758470 -0.2812958), wk = 0.0031056 k( 197) = ( 0.2672311 0.5720547 -0.2672310), wk = 0.0031056 k( 198) = ( 0.2531663 0.5682623 -0.2531663), wk = 0.0031056 k( 199) = ( 0.2391015 0.5644700 -0.2391015), wk = 0.0031056 k( 200) = ( 0.2250367 0.5606776 -0.2250367), wk = 0.0031056 k( 201) = ( 0.2109719 0.5568853 -0.2109719), wk = 0.0031056 k( 202) = ( 0.1969071 0.5530929 -0.1969071), wk = 0.0031056 k( 203) = ( 0.1828423 0.5493006 -0.1828423), wk = 0.0031056 k( 204) = ( 0.1687775 0.5455082 -0.1687775), wk = 0.0031056 k( 205) = ( 0.1547127 0.5417159 -0.1547127), wk = 0.0031056 k( 206) = ( 0.1406479 0.5379235 -0.1406479), wk = 0.0031056 k( 207) = ( 0.1265831 0.5341312 -0.1265831), wk = 0.0031056 k( 208) = ( 0.1125183 0.5303388 -0.1125183), wk = 0.0031056 k( 209) = ( 0.0984536 0.5265464 -0.0984535), wk = 0.0031056 k( 210) = ( 0.0843887 0.5227541 -0.0843888), wk = 0.0031056 k( 211) = ( 0.0703240 0.5189617 -0.0703240), wk = 0.0031056 k( 212) = ( 0.0562592 0.5151694 -0.0562592), wk = 0.0031056 k( 213) = ( 0.0421944 0.5113770 -0.0421944), wk = 0.0031056 k( 214) = ( 0.0281296 0.5075847 -0.0281296), wk = 0.0031056 k( 215) = ( 0.0140648 0.5037923 -0.0140648), wk = 0.0031056 k( 216) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 217) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 218) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0031056 k( 219) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0031056 k( 220) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0031056 k( 221) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0031056 k( 222) = ( 0.0431035 0.4568965 0.0431034), wk = 0.0031056 k( 223) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0031056 k( 224) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0031056 k( 225) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0031056 k( 226) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0031056 k( 227) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0031056 k( 228) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0031056 k( 229) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0031056 k( 230) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0031056 k( 231) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0031056 k( 232) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0031056 k( 233) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0031056 k( 234) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0031056 k( 235) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0031056 k( 236) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0031056 k( 237) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0031056 k( 238) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0031056 k( 239) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0031056 k( 240) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0031056 k( 241) = ( 0.2068966 0.2931034 0.2068965), wk = 0.0031056 k( 242) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0031056 k( 243) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0031056 k( 244) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0031056 k( 245) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0031056 k( 246) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 247) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 248) = ( 0.2575758 0.2575758 0.2337082), wk = 0.0031056 k( 249) = ( 0.2651515 0.2651515 0.2174165), wk = 0.0031056 k( 250) = ( 0.2727273 0.2727273 0.2011247), wk = 0.0031056 k( 251) = ( 0.2803030 0.2803030 0.1848329), wk = 0.0031056 k( 252) = ( 0.2878788 0.2878788 0.1685412), wk = 0.0031056 k( 253) = ( 0.2954545 0.2954545 0.1522494), wk = 0.0031056 k( 254) = ( 0.3030303 0.3030303 0.1359576), wk = 0.0031056 k( 255) = ( 0.3106061 0.3106061 0.1196659), wk = 0.0031056 k( 256) = ( 0.3181818 0.3181818 0.1033741), wk = 0.0031056 k( 257) = ( 0.3257576 0.3257576 0.0870823), wk = 0.0031056 k( 258) = ( 0.3333333 0.3333333 0.0707906), wk = 0.0031056 k( 259) = ( 0.3409091 0.3409091 0.0544988), wk = 0.0031056 k( 260) = ( 0.3484849 0.3484848 0.0382070), wk = 0.0031056 k( 261) = ( 0.3560606 0.3560606 0.0219152), wk = 0.0031056 k( 262) = ( 0.3636364 0.3636364 0.0056235), wk = 0.0031056 k( 263) = ( 0.3712121 0.3712121 -0.0106683), wk = 0.0031056 k( 264) = ( 0.3787879 0.3787879 -0.0269601), wk = 0.0031056 k( 265) = ( 0.3863636 0.3863636 -0.0432518), wk = 0.0031056 k( 266) = ( 0.3939394 0.3939394 -0.0595436), wk = 0.0031056 k( 267) = ( 0.4015151 0.4015151 -0.0758354), wk = 0.0031056 k( 268) = ( 0.4090909 0.4090909 -0.0921271), wk = 0.0031056 k( 269) = ( 0.4166667 0.4166667 -0.1084189), wk = 0.0031056 k( 270) = ( 0.4242424 0.4242424 -0.1247107), wk = 0.0031056 k( 271) = ( 0.4318182 0.4318182 -0.1410024), wk = 0.0031056 k( 272) = ( 0.4393939 0.4393939 -0.1572942), wk = 0.0031056 k( 273) = ( 0.4469697 0.4469697 -0.1735860), wk = 0.0031056 k( 274) = ( 0.4545455 0.4545454 -0.1898778), wk = 0.0031056 k( 275) = ( 0.4621212 0.4621212 -0.2061695), wk = 0.0031056 k( 276) = ( 0.4696970 0.4696970 -0.2224613), wk = 0.0031056 k( 277) = ( 0.4772727 0.4772727 -0.2387531), wk = 0.0031056 k( 278) = ( 0.4848485 0.4848485 -0.2550448), wk = 0.0031056 k( 279) = ( 0.4924242 0.4924242 -0.2713366), wk = 0.0031056 k( 280) = ( 0.5000000 0.5000000 -0.2876284), wk = 0.0031056 k( 281) = ( 0.5000000 0.5000000 -0.2876284), wk = 0.0031056 k( 282) = ( 0.5000000 0.5000000 -0.2994268), wk = 0.0031056 k( 283) = ( 0.5000000 0.5000000 -0.3112252), wk = 0.0031056 k( 284) = ( 0.5000000 0.5000000 -0.3230236), wk = 0.0031056 k( 285) = ( 0.5000000 0.5000000 -0.3348221), wk = 0.0031056 k( 286) = ( 0.5000000 0.5000000 -0.3466205), wk = 0.0031056 k( 287) = ( 0.5000000 0.5000000 -0.3584189), wk = 0.0031056 k( 288) = ( 0.5000000 0.5000000 -0.3702173), wk = 0.0031056 k( 289) = ( 0.5000000 0.5000000 -0.3820158), wk = 0.0031056 k( 290) = ( 0.5000000 0.5000000 -0.3938142), wk = 0.0031056 k( 291) = ( 0.5000000 0.5000000 -0.4056126), wk = 0.0031056 k( 292) = ( 0.5000000 0.5000000 -0.4174110), wk = 0.0031056 k( 293) = ( 0.5000000 0.5000000 -0.4292094), wk = 0.0031056 k( 294) = ( 0.5000000 0.5000000 -0.4410079), wk = 0.0031056 k( 295) = ( 0.5000000 0.5000000 -0.4528063), wk = 0.0031056 k( 296) = ( 0.5000000 0.5000000 -0.4646047), wk = 0.0031056 k( 297) = ( 0.5000000 0.5000000 -0.4764031), wk = 0.0031056 k( 298) = ( 0.5000000 0.5000000 -0.4882016), wk = 0.0031056 k( 299) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0031056 k( 300) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031056 k( 301) = ( 0.0113636 0.0113636 0.4886364), wk = 0.0031056 k( 302) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0031056 k( 303) = ( 0.0340909 0.0340909 0.4659091), wk = 0.0031056 k( 304) = ( 0.0454546 0.0454545 0.4545455), wk = 0.0031056 k( 305) = ( 0.0568182 0.0568182 0.4431818), wk = 0.0031056 k( 306) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0031056 k( 307) = ( 0.0795455 0.0795454 0.4204546), wk = 0.0031056 k( 308) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0031056 k( 309) = ( 0.1022727 0.1022727 0.3977273), wk = 0.0031056 k( 310) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0031056 k( 311) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0031056 k( 312) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0031056 k( 313) = ( 0.1477273 0.1477273 0.3522727), wk = 0.0031056 k( 314) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0031056 k( 315) = ( 0.1704546 0.1704546 0.3295454), wk = 0.0031056 k( 316) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0031056 k( 317) = ( 0.1931818 0.1931818 0.3068182), wk = 0.0031056 k( 318) = ( 0.2045454 0.2045454 0.2954546), wk = 0.0031056 k( 319) = ( 0.2159091 0.2159091 0.2840909), wk = 0.0031056 k( 320) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0031056 k( 321) = ( 0.2386364 0.2386364 0.2613636), wk = 0.0031056 k( 322) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 Dense grid: 69055 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 29917 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 158, 58) NL pseudopotentials 0.18 Mb ( 79, 152) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1439) G-vector shells 0.01 Mb ( 678) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 158, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.27 Mb ( 152, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaGeN2.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.6 secs Computing kpt #: 2 total cpu time spent up to now is 48.1 secs Computing kpt #: 3 total cpu time spent up to now is 51.7 secs Computing kpt #: 4 total cpu time spent up to now is 55.3 secs Computing kpt #: 5 total cpu time spent up to now is 58.8 secs Computing kpt #: 6 total cpu time spent up to now is 62.4 secs Computing kpt #: 7 total cpu time spent up to now is 66.1 secs Computing kpt #: 8 total cpu time spent up to now is 69.9 secs Computing kpt #: 9 total cpu time spent up to now is 73.7 secs Computing kpt #: 10 total cpu time spent up to now is 77.6 secs Computing kpt #: 11 total cpu time spent up to now is 81.4 secs Computing kpt #: 12 total cpu time spent up to now is 85.6 secs Computing kpt #: 13 total cpu time spent up to now is 90.2 secs Computing kpt #: 14 total cpu time spent up to now is 94.7 secs Computing kpt #: 15 total cpu time spent up to now is 99.3 secs Computing kpt #: 16 total cpu time spent up to now is 105.8 secs Computing kpt #: 17 total cpu time spent up to now is 110.8 secs Computing kpt #: 18 total cpu time spent up to now is 116.0 secs Computing kpt #: 19 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.2 secs Computing kpt #: 20 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 126.5 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 131.8 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 137.0 secs Computing kpt #: 23 total cpu time spent up to now is 141.9 secs Computing kpt #: 24 total cpu time spent up to now is 146.1 secs Computing kpt #: 25 total cpu time spent up to now is 149.8 secs Computing kpt #: 26 total cpu time spent up to now is 153.4 secs Computing kpt #: 27 total cpu time spent up to now is 157.2 secs Computing kpt #: 28 total cpu time spent up to now is 160.7 secs Computing kpt #: 29 total cpu time spent up to now is 164.3 secs Computing kpt #: 30 total cpu time spent up to now is 167.8 secs Computing kpt #: 31 total cpu time spent up to now is 171.3 secs Computing kpt #: 32 total cpu time spent up to now is 174.8 secs Computing kpt #: 33 total cpu time spent up to now is 178.7 secs Computing kpt #: 34 total cpu time spent up to now is 182.7 secs Computing kpt #: 35 total cpu time spent up to now is 187.3 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.9 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 198.5 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 204.2 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.9 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.5 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.2 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.6 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.0 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 237.5 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.0 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.6 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 254.1 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.6 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.1 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.8 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.3 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.7 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.9 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 292.2 secs Computing kpt #: 55 total cpu time spent up to now is 296.7 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 302.0 secs Computing kpt #: 57 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 307.4 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 312.6 secs Computing kpt #: 59 total cpu time spent up to now is 317.2 secs Computing kpt #: 60 total cpu time spent up to now is 321.6 secs Computing kpt #: 61 total cpu time spent up to now is 326.2 secs Computing kpt #: 62 total cpu time spent up to now is 330.7 secs Computing kpt #: 63 total cpu time spent up to now is 335.1 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 340.4 secs Computing kpt #: 65 total cpu time spent up to now is 344.9 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 350.2 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.3 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 360.6 secs Computing kpt #: 69 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.9 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.1 secs Computing kpt #: 71 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 376.3 secs Computing kpt #: 72 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 381.6 secs Computing kpt #: 73 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 386.8 secs Computing kpt #: 74 total cpu time spent up to now is 391.6 secs Computing kpt #: 75 total cpu time spent up to now is 396.4 secs Computing kpt #: 76 total cpu time spent up to now is 401.5 secs Computing kpt #: 77 total cpu time spent up to now is 406.9 secs Computing kpt #: 78 total cpu time spent up to now is 411.6 secs Computing kpt #: 79 total cpu time spent up to now is 416.6 secs Computing kpt #: 80 total cpu time spent up to now is 421.9 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 427.3 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 432.6 secs Computing kpt #: 83 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 437.9 secs Computing kpt #: 84 total cpu time spent up to now is 442.9 secs Computing kpt #: 85 total cpu time spent up to now is 448.0 secs Computing kpt #: 86 total cpu time spent up to now is 452.8 secs Computing kpt #: 87 total cpu time spent up to now is 457.8 secs Computing kpt #: 88 total cpu time spent up to now is 462.6 secs Computing kpt #: 89 total cpu time spent up to now is 467.3 secs Computing kpt #: 90 total cpu time spent up to now is 471.5 secs Computing kpt #: 91 total cpu time spent up to now is 476.0 secs Computing kpt #: 92 total cpu time spent up to now is 480.5 secs Computing kpt #: 93 total cpu time spent up to now is 484.8 secs Computing kpt #: 94 total cpu time spent up to now is 489.0 secs Computing kpt #: 95 total cpu time spent up to now is 493.3 secs Computing kpt #: 96 total cpu time spent up to now is 497.6 secs Computing kpt #: 97 total cpu time spent up to now is 502.1 secs Computing kpt #: 98 total cpu time spent up to now is 506.0 secs Computing kpt #: 99 total cpu time spent up to now is 509.9 secs Computing kpt #: 100 total cpu time spent up to now is 513.7 secs Computing kpt #: 101 total cpu time spent up to now is 517.2 secs Computing kpt #: 102 total cpu time spent up to now is 520.6 secs Computing kpt #: 103 total cpu time spent up to now is 523.9 secs Computing kpt #: 104 total cpu time spent up to now is 526.9 secs Computing kpt #: 105 total cpu time spent up to now is 529.8 secs Computing kpt #: 106 total cpu time spent up to now is 532.7 secs Computing kpt #: 107 total cpu time spent up to now is 536.0 secs Computing kpt #: 108 total cpu time spent up to now is 539.4 secs Computing kpt #: 109 total cpu time spent up to now is 542.8 secs Computing kpt #: 110 total cpu time spent up to now is 546.2 secs Computing kpt #: 111 total cpu time spent up to now is 549.6 secs Computing kpt #: 112 total cpu time spent up to now is 553.1 secs Computing kpt #: 113 total cpu time spent up to now is 556.7 secs Computing kpt #: 114 total cpu time spent up to now is 560.2 secs Computing kpt #: 115 total cpu time spent up to now is 563.8 secs Computing kpt #: 116 total cpu time spent up to now is 567.6 secs Computing kpt #: 117 total cpu time spent up to now is 571.3 secs Computing kpt #: 118 total cpu time spent up to now is 574.9 secs Computing kpt #: 119 total cpu time spent up to now is 578.6 secs Computing kpt #: 120 total cpu time spent up to now is 582.2 secs Computing kpt #: 121 total cpu time spent up to now is 585.7 secs Computing kpt #: 122 total cpu time spent up to now is 589.3 secs Computing kpt #: 123 total cpu time spent up to now is 592.8 secs Computing kpt #: 124 total cpu time spent up to now is 596.3 secs Computing kpt #: 125 total cpu time spent up to now is 599.9 secs Computing kpt #: 126 total cpu time spent up to now is 603.4 secs Computing kpt #: 127 total cpu time spent up to now is 606.8 secs Computing kpt #: 128 total cpu time spent up to now is 610.3 secs Computing kpt #: 129 total cpu time spent up to now is 613.9 secs Computing kpt #: 130 total cpu time spent up to now is 617.3 secs Computing kpt #: 131 total cpu time spent up to now is 620.7 secs Computing kpt #: 132 total cpu time spent up to now is 624.1 secs Computing kpt #: 133 total cpu time spent up to now is 627.4 secs Computing kpt #: 134 total cpu time spent up to now is 630.7 secs Computing kpt #: 135 total cpu time spent up to now is 633.9 secs Computing kpt #: 136 total cpu time spent up to now is 637.1 secs Computing kpt #: 137 total cpu time spent up to now is 640.2 secs Computing kpt #: 138 total cpu time spent up to now is 643.3 secs Computing kpt #: 139 total cpu time spent up to now is 646.2 secs Computing kpt #: 140 total cpu time spent up to now is 649.2 secs Computing kpt #: 141 total cpu time spent up to now is 652.1 secs Computing kpt #: 142 total cpu time spent up to now is 655.1 secs Computing kpt #: 143 total cpu time spent up to now is 658.0 secs Computing kpt #: 144 total cpu time spent up to now is 660.9 secs Computing kpt #: 145 total cpu time spent up to now is 663.8 secs Computing kpt #: 146 total cpu time spent up to now is 666.7 secs Computing kpt #: 147 total cpu time spent up to now is 669.8 secs Computing kpt #: 148 total cpu time spent up to now is 673.4 secs Computing kpt #: 149 total cpu time spent up to now is 678.3 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 683.5 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 688.5 secs Computing kpt #: 152 total cpu time spent up to now is 693.3 secs Computing kpt #: 153 total cpu time spent up to now is 697.1 secs Computing kpt #: 154 total cpu time spent up to now is 701.2 secs Computing kpt #: 155 total cpu time spent up to now is 706.3 secs Computing kpt #: 156 total cpu time spent up to now is 710.0 secs Computing kpt #: 157 total cpu time spent up to now is 713.3 secs Computing kpt #: 158 total cpu time spent up to now is 716.6 secs Computing kpt #: 159 total cpu time spent up to now is 720.0 secs Computing kpt #: 160 total cpu time spent up to now is 723.2 secs Computing kpt #: 161 total cpu time spent up to now is 726.4 secs Computing kpt #: 162 total cpu time spent up to now is 729.6 secs Computing kpt #: 163 total cpu time spent up to now is 732.6 secs Computing kpt #: 164 total cpu time spent up to now is 735.8 secs Computing kpt #: 165 total cpu time spent up to now is 739.1 secs Computing kpt #: 166 total cpu time spent up to now is 742.2 secs Computing kpt #: 167 total cpu time spent up to now is 745.5 secs Computing kpt #: 168 total cpu time spent up to now is 749.5 secs Computing kpt #: 169 total cpu time spent up to now is 753.4 secs Computing kpt #: 170 total cpu time spent up to now is 757.2 secs Computing kpt #: 171 total cpu time spent up to now is 761.9 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 767.3 secs Computing kpt #: 173 total cpu time spent up to now is 772.3 secs Computing kpt #: 174 total cpu time spent up to now is 776.7 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 782.1 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 787.5 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 793.0 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 798.5 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 804.0 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 809.5 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 815.0 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 820.5 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 826.0 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 831.5 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 836.9 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 842.2 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 847.5 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 852.8 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 858.1 secs Computing kpt #: 190 total cpu time spent up to now is 863.0 secs Computing kpt #: 191 total cpu time spent up to now is 868.1 secs Computing kpt #: 192 total cpu time spent up to now is 872.2 secs Computing kpt #: 193 total cpu time spent up to now is 876.0 secs Computing kpt #: 194 total cpu time spent up to now is 879.6 secs Computing kpt #: 195 total cpu time spent up to now is 883.1 secs Computing kpt #: 196 total cpu time spent up to now is 886.7 secs Computing kpt #: 197 total cpu time spent up to now is 890.1 secs Computing kpt #: 198 total cpu time spent up to now is 893.5 secs Computing kpt #: 199 total cpu time spent up to now is 896.9 secs Computing kpt #: 200 total cpu time spent up to now is 900.2 secs Computing kpt #: 201 total cpu time spent up to now is 903.6 secs Computing kpt #: 202 total cpu time spent up to now is 906.9 secs Computing kpt #: 203 total cpu time spent up to now is 910.3 secs Computing kpt #: 204 total cpu time spent up to now is 913.6 secs Computing kpt #: 205 total cpu time spent up to now is 916.9 secs Computing kpt #: 206 total cpu time spent up to now is 920.2 secs Computing kpt #: 207 total cpu time spent up to now is 923.5 secs Computing kpt #: 208 total cpu time spent up to now is 926.9 secs Computing kpt #: 209 total cpu time spent up to now is 930.2 secs Computing kpt #: 210 total cpu time spent up to now is 933.4 secs Computing kpt #: 211 total cpu time spent up to now is 936.6 secs Computing kpt #: 212 total cpu time spent up to now is 939.9 secs Computing kpt #: 213 total cpu time spent up to now is 943.1 secs Computing kpt #: 214 total cpu time spent up to now is 946.2 secs Computing kpt #: 215 total cpu time spent up to now is 949.3 secs Computing kpt #: 216 total cpu time spent up to now is 952.5 secs Computing kpt #: 217 total cpu time spent up to now is 955.6 secs Computing kpt #: 218 total cpu time spent up to now is 958.6 secs Computing kpt #: 219 total cpu time spent up to now is 961.9 secs Computing kpt #: 220 total cpu time spent up to now is 965.2 secs Computing kpt #: 221 total cpu time spent up to now is 968.6 secs Computing kpt #: 222 total cpu time spent up to now is 971.9 secs Computing kpt #: 223 total cpu time spent up to now is 975.5 secs Computing kpt #: 224 total cpu time spent up to now is 979.0 secs Computing kpt #: 225 total cpu time spent up to now is 982.6 secs Computing kpt #: 226 total cpu time spent up to now is 986.3 secs Computing kpt #: 227 total cpu time spent up to now is 990.2 secs Computing kpt #: 228 total cpu time spent up to now is 993.9 secs Computing kpt #: 229 total cpu time spent up to now is 997.7 secs Computing kpt #: 230 total cpu time spent up to now is 1002.7 secs Computing kpt #: 231 total cpu time spent up to now is 1007.6 secs Computing kpt #: 232 total cpu time spent up to now is 1011.5 secs Computing kpt #: 233 total cpu time spent up to now is 1015.3 secs Computing kpt #: 234 total cpu time spent up to now is 1019.0 secs Computing kpt #: 235 total cpu time spent up to now is 1022.6 secs Computing kpt #: 236 total cpu time spent up to now is 1026.3 secs Computing kpt #: 237 total cpu time spent up to now is 1030.0 secs Computing kpt #: 238 total cpu time spent up to now is 1033.6 secs Computing kpt #: 239 total cpu time spent up to now is 1037.4 secs Computing kpt #: 240 total cpu time spent up to now is 1041.4 secs Computing kpt #: 241 total cpu time spent up to now is 1046.2 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1051.5 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1056.8 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1062.1 secs Computing kpt #: 245 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1067.5 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1072.7 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1077.9 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1083.2 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1088.5 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1093.8 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1099.0 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1104.3 secs Computing kpt #: 253 total cpu time spent up to now is 1109.3 secs Computing kpt #: 254 total cpu time spent up to now is 1113.5 secs Computing kpt #: 255 total cpu time spent up to now is 1117.3 secs Computing kpt #: 256 total cpu time spent up to now is 1120.9 secs Computing kpt #: 257 total cpu time spent up to now is 1124.4 secs Computing kpt #: 258 total cpu time spent up to now is 1127.9 secs Computing kpt #: 259 total cpu time spent up to now is 1131.4 secs Computing kpt #: 260 total cpu time spent up to now is 1135.1 secs Computing kpt #: 261 total cpu time spent up to now is 1138.8 secs Computing kpt #: 262 total cpu time spent up to now is 1142.5 secs Computing kpt #: 263 total cpu time spent up to now is 1146.4 secs Computing kpt #: 264 total cpu time spent up to now is 1150.1 secs Computing kpt #: 265 total cpu time spent up to now is 1153.9 secs Computing kpt #: 266 total cpu time spent up to now is 1157.4 secs Computing kpt #: 267 total cpu time spent up to now is 1161.2 secs Computing kpt #: 268 total cpu time spent up to now is 1165.0 secs Computing kpt #: 269 total cpu time spent up to now is 1168.8 secs Computing kpt #: 270 total cpu time spent up to now is 1172.7 secs Computing kpt #: 271 total cpu time spent up to now is 1176.7 secs Computing kpt #: 272 total cpu time spent up to now is 1180.8 secs Computing kpt #: 273 total cpu time spent up to now is 1184.9 secs Computing kpt #: 274 total cpu time spent up to now is 1189.2 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1194.6 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1200.2 secs Computing kpt #: 277 total cpu time spent up to now is 1204.8 secs Computing kpt #: 278 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1210.1 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1215.5 secs Computing kpt #: 280 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1220.6 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1225.7 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1230.6 secs Computing kpt #: 283 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1235.7 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1240.7 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1245.7 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1250.7 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1255.7 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1260.7 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1265.8 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1271.1 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1276.3 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1281.5 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1286.7 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1291.9 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1297.2 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1303.6 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1309.5 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1314.7 secs Computing kpt #: 299 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1319.9 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1325.4 secs Computing kpt #: 301 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1330.9 secs Computing kpt #: 302 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1336.6 secs Computing kpt #: 303 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1342.2 secs Computing kpt #: 304 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1347.9 secs Computing kpt #: 305 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1353.4 secs Computing kpt #: 306 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1359.1 secs Computing kpt #: 307 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1364.7 secs Computing kpt #: 308 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1370.3 secs Computing kpt #: 309 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1375.9 secs Computing kpt #: 310 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1381.5 secs Computing kpt #: 311 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1387.1 secs Computing kpt #: 312 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1392.6 secs Computing kpt #: 313 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1398.1 secs Computing kpt #: 314 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1403.5 secs Computing kpt #: 315 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1409.0 secs Computing kpt #: 316 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1414.5 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1419.9 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1425.2 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1430.4 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1435.7 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1441.0 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1446.2 secs ethr = 2.08E-11, avg # of iterations = 86.6 total cpu time spent up to now is 1446.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3735 PWs) bands (ev): -30.9198 -30.9198 -30.8225 -30.8225 -12.3277 -12.3277 -12.1262 -12.1262 -11.9746 -11.9746 -11.9402 -11.9402 -11.7695 -11.7695 -11.7138 -11.7138 -7.6225 -7.6225 -4.6697 -4.6697 -4.6380 -4.6380 -4.1625 -4.1625 -0.6055 -0.6055 3.2135 3.2135 3.2914 3.2914 3.9904 3.9904 4.8472 4.8472 5.3503 5.3503 6.4194 6.4194 7.3238 7.3238 7.3424 7.3424 7.6767 7.6767 7.7083 7.7083 8.3133 8.3133 11.3998 11.3998 12.3751 12.3751 13.4970 13.4970 13.5355 13.5355 13.5388 13.5388 k = 0.0000 0.0000 0.0167 ( 3739 PWs) bands (ev): -30.9197 -30.9197 -30.8225 -30.8225 -12.3278 -12.3277 -12.1279 -12.1252 -11.9756 -11.9735 -11.9401 -11.9401 -11.7699 -11.7692 -11.7139 -11.7139 -7.6214 -7.6214 -4.6712 -4.6705 -4.6392 -4.6392 -4.1628 -4.1625 -0.6035 -0.6035 3.2106 3.2149 3.2907 3.2907 3.9913 3.9928 4.8479 4.8481 5.3531 5.3533 6.4206 6.4206 7.3224 7.3225 7.3411 7.3411 7.6742 7.6751 7.7063 7.7064 8.3121 8.3128 11.4045 11.4045 12.3759 12.3759 13.4789 13.4825 13.5342 13.5358 13.5501 13.5530 k = 0.0000 0.0000 0.0333 ( 3737 PWs) bands (ev): -30.9196 -30.9196 -30.8226 -30.8226 -12.3278 -12.3277 -12.1301 -12.1248 -11.9762 -11.9721 -11.9399 -11.9398 -11.7702 -11.7688 -11.7141 -11.7141 -7.6182 -7.6182 -4.6752 -4.6740 -4.6422 -4.6421 -4.1633 -4.1626 -0.5976 -0.5976 3.2052 3.2139 3.2894 3.2897 3.9957 3.9986 4.8502 4.8506 5.3615 5.3619 6.4240 6.4242 7.3183 7.3186 7.3373 7.3373 7.6673 7.6692 7.7010 7.7010 8.3094 8.3107 11.4186 11.4186 12.3783 12.3784 13.4494 13.4534 13.5285 13.5308 13.5728 13.5763 k = 0.0000 0.0000 0.0500 ( 3739 PWs) bands (ev): -30.9195 -30.9195 -30.8228 -30.8228 -12.3277 -12.3276 -12.1329 -12.1250 -11.9765 -11.9705 -11.9396 -11.9393 -11.7704 -11.7685 -11.7144 -11.7144 -7.6128 -7.6128 -4.6827 -4.6811 -4.6462 -4.6457 -4.1641 -4.1630 -0.5878 -0.5878 3.1951 3.2080 3.2905 3.2911 4.0034 4.0074 4.8541 4.8546 5.3754 5.3761 6.4297 6.4300 7.3111 7.3116 7.3311 7.3312 7.6555 7.6584 7.6933 7.6934 8.3052 8.3070 11.4419 11.4419 12.3822 12.3824 13.4162 13.4201 13.5191 13.5223 13.5958 13.5993 k = 0.0000 0.0000 0.0667 ( 3739 PWs) bands (ev): -30.9192 -30.9192 -30.8230 -30.8230 -12.3277 -12.3275 -12.1361 -12.1259 -11.9764 -11.9690 -11.9393 -11.9386 -11.7707 -11.7682 -11.7149 -11.7148 -7.6052 -7.6052 -4.6945 -4.6929 -4.6502 -4.6490 -4.1651 -4.1637 -0.5742 -0.5742 3.1785 3.1946 3.2967 3.2971 4.0142 4.0191 4.8595 4.8602 5.3944 5.3953 6.4377 6.4381 7.3004 7.3011 7.3227 7.3230 7.6387 7.6423 7.6844 7.6846 8.2993 8.3016 11.4739 11.4739 12.3876 12.3878 13.3808 13.3844 13.5063 13.5103 13.6176 13.6208 k = 0.0000 0.0000 0.0834 ( 3731 PWs) bands (ev): -30.9189 -30.9189 -30.8234 -30.8234 -12.3276 -12.3274 -12.1398 -12.1273 -11.9760 -11.9675 -11.9389 -11.9375 -11.7709 -11.7678 -11.7154 -11.7153 -7.5956 -7.5955 -4.7109 -4.7094 -4.6538 -4.6518 -4.1664 -4.1646 -0.5569 -0.5569 3.1552 3.1734 3.3083 3.3091 4.0279 4.0332 4.8663 4.8671 5.4179 5.4190 6.4479 6.4483 7.2863 7.2873 7.3118 7.3124 7.6177 7.6219 7.6746 7.6748 8.2919 8.2947 11.5140 11.5141 12.3942 12.3945 13.3435 13.3467 13.4903 13.4952 13.6380 13.6409 k = 0.0000 0.0000 0.1000 ( 3735 PWs) bands (ev): -30.9185 -30.9185 -30.8237 -30.8237 -12.3275 -12.3274 -12.1438 -12.1294 -11.9753 -11.9662 -11.9385 -11.9362 -11.7710 -11.7675 -11.7161 -11.7159 -7.5838 -7.5838 -4.7316 -4.7304 -4.6568 -4.6541 -4.1680 -4.1658 -0.5360 -0.5359 3.1261 3.1457 3.3245 3.3267 4.0442 4.0494 4.8744 4.8753 5.4453 5.4467 6.4601 6.4606 7.2692 7.2703 7.2976 7.2984 7.5942 7.5987 7.6638 7.6638 8.2830 8.2861 11.5618 11.5619 12.4018 12.4022 13.3048 13.3076 13.4715 13.4772 13.6571 13.6596 k = 0.0000 0.0000 0.1167 ( 3739 PWs) bands (ev): -30.9180 -30.9180 -30.8242 -30.8242 -12.3274 -12.3273 -12.1482 -12.1319 -11.9744 -11.9650 -11.9381 -11.9345 -11.7711 -11.7672 -11.7168 -11.7165 -7.5700 -7.5700 -4.7563 -4.7552 -4.6596 -4.6561 -4.1700 -4.1673 -0.5116 -0.5115 3.0924 3.1130 3.3451 3.3488 4.0627 4.0677 4.8835 4.8845 5.4759 5.4776 6.4743 6.4749 7.2495 7.2507 7.2793 7.2804 7.5697 7.5745 7.6517 7.6519 8.2726 8.2759 11.6165 11.6167 12.4102 12.4106 13.2651 13.2673 13.4501 13.4565 13.6749 13.6769 k = 0.0000 0.0000 0.1334 ( 3747 PWs) bands (ev): -30.9175 -30.9175 -30.8247 -30.8247 -12.3273 -12.3272 -12.1528 -12.1350 -11.9732 -11.9641 -11.9376 -11.9325 -11.7712 -11.7670 -11.7177 -11.7172 -7.5543 -7.5542 -4.7846 -4.7836 -4.6623 -4.6581 -4.1723 -4.1693 -0.4839 -0.4838 3.0550 3.0762 3.3697 3.3749 4.0833 4.0876 4.8936 4.8947 5.5090 5.5111 6.4904 6.4910 7.2276 7.2290 7.2562 7.2576 7.5460 7.5507 7.6384 7.6388 8.2609 8.2643 11.6773 11.6777 12.4189 12.4194 13.2251 13.2266 13.4266 13.4336 13.6917 13.6932 k = 0.0000 0.0000 0.1501 ( 3755 PWs) bands (ev): -30.9169 -30.9169 -30.8253 -30.8253 -12.3271 -12.3271 -12.1577 -12.1385 -11.9719 -11.9633 -11.9372 -11.9303 -11.7711 -11.7668 -11.7186 -11.7179 -7.5366 -7.5364 -4.8162 -4.8153 -4.6648 -4.6600 -4.1751 -4.1716 -0.4532 -0.4530 3.0146 3.0362 3.3979 3.4047 4.1057 4.1091 4.9045 4.9056 5.5438 5.5462 6.5080 6.5087 7.2043 7.2056 7.2281 7.2297 7.5240 7.5286 7.6239 7.6245 8.2480 8.2514 11.7435 11.7441 12.4276 12.4283 13.1852 13.1860 13.4014 13.4087 13.7075 13.7085 k = 0.0000 0.0000 0.1667 ( 3759 PWs) bands (ev): -30.9163 -30.9163 -30.8260 -30.8260 -12.3270 -12.3270 -12.1628 -12.1423 -11.9704 -11.9627 -11.9368 -11.9279 -11.7710 -11.7667 -11.7194 -11.7185 -7.5170 -7.5168 -4.8507 -4.8498 -4.6673 -4.6620 -4.1783 -4.1744 -0.4194 -0.4192 2.9718 2.9937 3.4295 3.4378 4.1296 4.1319 4.9158 4.9170 5.5793 5.5821 6.5271 6.5279 7.1798 7.1808 7.1957 7.1973 7.5043 7.5086 7.6082 7.6091 8.2339 8.2373 11.8144 11.8153 12.4359 12.4367 13.1463 13.1464 13.3749 13.3825 13.7224 13.7229 k = 0.0000 0.0000 0.1834 ( 3751 PWs) bands (ev): -30.9155 -30.9155 -30.8267 -30.8267 -12.3269 -12.3267 -12.1680 -12.1465 -11.9689 -11.9622 -11.9364 -11.9253 -11.7708 -11.7665 -11.7203 -11.7191 -7.4956 -7.4953 -4.8878 -4.8871 -4.6697 -4.6638 -4.1820 -4.1776 -0.3829 -0.3825 2.9272 2.9491 3.4643 3.4740 4.1549 4.1560 4.9273 4.9286 5.6147 5.6179 6.5474 6.5482 7.1528 7.1538 7.1624 7.1625 7.4866 7.4907 7.5916 7.5928 8.2190 8.2223 11.8893 11.8904 12.4430 12.4441 13.1085 13.1095 13.3476 13.3554 13.7367 13.7367 k = 0.0000 0.0000 0.2001 ( 3749 PWs) bands (ev): -30.9147 -30.9147 -30.8275 -30.8275 -12.3268 -12.3265 -12.1733 -12.1509 -11.9674 -11.9618 -11.9359 -11.9228 -11.7706 -11.7664 -11.7212 -11.7197 -7.4724 -7.4720 -4.9273 -4.9267 -4.6721 -4.6657 -4.1861 -4.1813 -0.3437 -0.3433 2.8811 2.9030 3.5020 3.5132 4.1810 4.1813 4.9388 4.9402 5.6490 5.6526 6.5685 6.5693 7.1166 7.1195 7.1338 7.1355 7.4705 7.4744 7.5742 7.5756 8.2034 8.2064 11.9673 11.9688 12.4484 12.4497 13.0735 13.0755 13.3200 13.3278 13.7500 13.7505 k = 0.0000 0.0000 0.2167 ( 3753 PWs) bands (ev): -30.9139 -30.9139 -30.8284 -30.8284 -12.3267 -12.3262 -12.1788 -12.1556 -11.9659 -11.9614 -11.9355 -11.9203 -11.7703 -11.7663 -11.7221 -11.7202 -7.4475 -7.4471 -4.9690 -4.9684 -4.6743 -4.6674 -4.1908 -4.1855 -0.3021 -0.3016 2.8339 2.8557 3.5425 3.5552 4.2069 4.2087 4.9499 4.9513 5.6813 5.6853 6.5902 6.5909 7.0773 7.0802 7.1103 7.1119 7.4552 7.4589 7.5561 7.5579 8.1874 8.1901 12.0478 12.0497 12.4511 12.4526 13.0425 13.0455 13.2926 13.3002 13.7628 13.7638 k = 0.0000 0.0000 0.2334 ( 3757 PWs) bands (ev): -30.9129 -30.9129 -30.8293 -30.8293 -12.3266 -12.3258 -12.1843 -12.1605 -11.9644 -11.9612 -11.9352 -11.9178 -11.7700 -11.7663 -11.7229 -11.7206 -7.4210 -7.4205 -5.0126 -5.0120 -4.6763 -4.6690 -4.1960 -4.1903 -0.2582 -0.2576 2.7859 2.8075 3.5855 3.5997 4.2335 4.2368 4.9604 4.9619 5.7106 5.7150 6.6119 6.6125 7.0385 7.0412 7.0891 7.0905 7.4400 7.4436 7.5376 7.5397 8.1712 8.1736 12.1300 12.1325 12.4504 12.4521 13.0167 13.0205 13.2659 13.2731 13.7753 13.7767 k = 0.0000 0.0000 0.2501 ( 3762 PWs) bands (ev): -30.9119 -30.9119 -30.8303 -30.8303 -12.3265 -12.3254 -12.1899 -12.1655 -11.9630 -11.9609 -11.9349 -11.9155 -11.7695 -11.7662 -11.7237 -11.7209 -7.3930 -7.3923 -5.0579 -5.0572 -4.6781 -4.6705 -4.2017 -4.1957 -0.2121 -0.2114 2.7373 2.7586 3.6309 3.6467 4.2604 4.2653 4.9699 4.9714 5.7359 5.7408 6.6332 6.6338 7.0018 7.0044 7.0703 7.0717 7.4244 7.4278 7.5191 7.5216 8.1550 8.1571 12.2133 12.2164 12.4457 12.4475 12.9971 13.0018 13.2406 13.2472 13.7876 13.7894 k = 0.0000 0.0000 0.2668 ( 3762 PWs) bands (ev): -30.9109 -30.9109 -30.8313 -30.8313 -12.3263 -12.3250 -12.1954 -12.1706 -11.9617 -11.9606 -11.9346 -11.9134 -11.7690 -11.7661 -11.7245 -11.7212 -7.3635 -7.3627 -5.1045 -5.1039 -4.6796 -4.6717 -4.2080 -4.2016 -0.1641 -0.1633 2.6883 2.7092 3.6783 3.6957 4.2876 4.2941 4.9781 4.9798 5.7565 5.7618 6.6539 6.6543 6.9687 6.9710 7.0546 7.0557 7.4078 7.4112 7.5009 7.5038 8.1392 8.1408 12.2969 12.3007 12.4364 12.4383 12.9845 12.9899 13.2172 13.2230 13.7998 13.8018 k = 0.0000 0.0000 0.2834 ( 3758 PWs) bands (ev): -30.9098 -30.9098 -30.8324 -30.8324 -12.3261 -12.3245 -12.2010 -12.1758 -11.9605 -11.9602 -11.9344 -11.9115 -11.7683 -11.7659 -11.7251 -11.7213 -7.3326 -7.3317 -5.1525 -5.1518 -4.6808 -4.6726 -4.2148 -4.2081 -0.1142 -0.1133 2.6390 2.6595 3.7276 3.7467 4.3146 4.3228 4.9847 4.9866 5.7715 5.7772 6.6734 6.6736 6.9401 6.9423 7.0421 7.0430 7.3900 7.3933 7.4836 7.4867 8.1238 8.1249 12.3800 12.3846 12.4227 12.4244 12.9794 12.9853 13.1964 13.2012 13.8119 13.8142 k = 0.0000 0.0000 0.3001 ( 3756 PWs) bands (ev): -30.9086 -30.9086 -30.8335 -30.8335 -12.3259 -12.3239 -12.2065 -12.1811 -11.9599 -11.9594 -11.9342 -11.9098 -11.7676 -11.7657 -11.7257 -11.7215 -7.3004 -7.2993 -5.2014 -5.2007 -4.6816 -4.6732 -4.2222 -4.2152 -0.0625 -0.0615 2.5895 2.6096 3.7785 3.7994 4.3412 4.3512 4.9897 4.9918 5.7807 5.7867 6.6917 6.6917 6.9168 6.9188 7.0327 7.0336 7.3710 7.3742 7.4677 7.4711 8.1090 8.1097 12.4049 12.4063 12.4617 12.4672 12.9816 12.9879 13.1789 13.1825 13.8241 13.8264 k = 0.0000 0.0000 0.3168 ( 3750 PWs) bands (ev): -30.9074 -30.9074 -30.8347 -30.8347 -12.3257 -12.3233 -12.2121 -12.1864 -11.9594 -11.9583 -11.9341 -11.9085 -11.7668 -11.7653 -11.7262 -11.7215 -7.2670 -7.2658 -5.2513 -5.2504 -4.6820 -4.6733 -4.2302 -4.2230 -0.0092 -0.0082 2.5400 2.5596 3.8307 3.8534 4.3670 4.3787 4.9928 4.9953 5.7840 5.7901 6.7083 6.7087 6.8987 6.9006 7.0262 7.0269 7.3508 7.3541 7.4539 7.4576 8.0949 8.0950 12.3837 12.3847 12.5407 12.5472 12.9908 12.9972 13.1659 13.1679 13.8362 13.8386 k = 0.0000 0.0000 0.3335 ( 3752 PWs) bands (ev): -30.9061 -30.9061 -30.8360 -30.8360 -12.3254 -12.3226 -12.2175 -12.1917 -11.9590 -11.9575 -11.9342 -11.9074 -11.7659 -11.7647 -11.7267 -11.7216 -7.2324 -7.2310 -5.3018 -5.3008 -4.6819 -4.6731 -4.2388 -4.2313 0.0455 0.0467 2.4905 2.5095 3.8838 3.9086 4.3918 4.4052 4.9940 4.9970 5.7817 5.7878 6.7238 6.7245 6.8855 6.8875 7.0218 7.0222 7.3301 7.3333 7.4431 7.4470 8.0810 8.0813 12.3602 12.3608 12.6154 12.6231 13.0062 13.0127 13.1586 13.1589 13.8495 13.8580 k = 0.0000 0.0000 0.3501 ( 3750 PWs) bands (ev): -30.9048 -30.9048 -30.8373 -30.8373 -12.3251 -12.3218 -12.2229 -12.1970 -11.9584 -11.9566 -11.9343 -11.9066 -11.7649 -11.7641 -11.7271 -11.7216 -7.1968 -7.1952 -5.3528 -5.3517 -4.6813 -4.6723 -4.2480 -4.2403 0.1017 0.1029 2.4409 2.4594 3.9375 3.9644 4.4150 4.4301 4.9933 4.9971 5.7746 5.7806 6.7384 6.7395 6.8759 6.8783 7.0185 7.0186 7.3095 7.3126 7.4361 7.4399 8.0675 8.0683 12.3354 12.3354 12.6837 12.6925 13.0272 13.0335 13.1574 13.1590 13.8043 13.8111 k = 0.0000 0.0000 0.3668 ( 3754 PWs) bands (ev): -30.9034 -30.9034 -30.8387 -30.8387 -12.3248 -12.3210 -12.2282 -12.2023 -11.9578 -11.9560 -11.9345 -11.9062 -11.7638 -11.7633 -11.7275 -11.7216 -7.1602 -7.1584 -5.4043 -5.4030 -4.6800 -4.6710 -4.2578 -4.2499 0.1591 0.1605 2.3913 2.4092 3.9913 4.0206 4.4362 4.4530 4.9911 4.9958 5.7637 5.7694 6.7524 6.7540 6.8685 6.8714 7.0151 7.0154 7.2902 7.2931 7.4334 7.4372 8.0543 8.0556 12.3097 12.3102 12.7428 12.7525 13.0531 13.0592 13.1662 13.1695 13.7552 13.7622 k = 0.0000 0.0000 0.3835 ( 3756 PWs) bands (ev): -30.9020 -30.9020 -30.8401 -30.8401 -12.3245 -12.3201 -12.2334 -12.2076 -11.9572 -11.9553 -11.9348 -11.9061 -11.7626 -11.7623 -11.7278 -11.7215 -7.1227 -7.1207 -5.4560 -5.4546 -4.6782 -4.6690 -4.2681 -4.2601 0.2178 0.2192 2.3417 2.3589 4.0448 4.0766 4.4552 4.4736 4.9877 4.9935 5.7504 5.7555 6.7658 6.7677 6.8609 6.8648 7.0111 7.0120 7.2739 7.2764 7.4355 7.4390 8.0412 8.0429 12.2844 12.2854 12.7898 12.7997 13.0833 13.0891 13.1879 13.1924 13.7057 13.7132 k = 0.0000 0.0000 0.4001 ( 3756 PWs) bands (ev): -30.9005 -30.9005 -30.8416 -30.8416 -12.3241 -12.3191 -12.2385 -12.2128 -11.9564 -11.9548 -11.9352 -11.9062 -11.7614 -11.7611 -11.7281 -11.7216 -7.0843 -7.0822 -5.5078 -5.5063 -4.6756 -4.6665 -4.2790 -4.2709 0.2775 0.2790 2.2920 2.3085 4.0974 4.1319 4.4714 4.4913 4.9838 4.9909 5.7358 5.7402 6.7780 6.7803 6.8512 6.8562 7.0071 7.0087 7.2621 7.2640 7.4422 7.4454 8.0278 8.0300 12.2603 12.2619 12.8232 12.8323 13.1173 13.1227 13.2240 13.2288 13.6567 13.6647 k = 0.0000 0.0000 0.4168 ( 3766 PWs) bands (ev): -30.8990 -30.8990 -30.8431 -30.8431 -12.3236 -12.3180 -12.2435 -12.2179 -11.9556 -11.9543 -11.9357 -11.9067 -11.7601 -11.7599 -11.7284 -11.7216 -7.0452 -7.0429 -5.5597 -5.5580 -4.6724 -4.6632 -4.2905 -4.2823 0.3383 0.3398 2.2421 2.2580 4.1483 4.1857 4.4847 4.5060 4.9800 4.9888 5.7211 5.7247 6.7873 6.7902 6.8375 6.8438 7.0044 7.0068 7.2564 7.2575 7.4530 7.4559 8.0140 8.0165 12.2381 12.2402 12.8434 12.8508 13.1547 13.1597 13.2730 13.2773 13.6091 13.6176 k = 0.0000 0.0000 0.4335 ( 3766 PWs) bands (ev): -30.8975 -30.8975 -30.8446 -30.8446 -12.3231 -12.3168 -12.2484 -12.2230 -11.9547 -11.9538 -11.9363 -11.9073 -11.7587 -11.7585 -11.7286 -11.7217 -7.0054 -7.0028 -5.6116 -5.6096 -4.6684 -4.6592 -4.3025 -4.2943 0.3999 0.4016 2.1920 2.2072 4.1968 4.2373 4.4946 4.5173 4.9774 4.9880 5.7075 5.7099 6.7903 6.7948 6.8202 6.8271 7.0053 7.0085 7.2575 7.2578 7.4672 7.4697 7.9994 8.0022 12.2183 12.2208 12.8528 12.8580 13.1952 13.1997 13.3314 13.3346 13.5638 13.5729 k = 0.0000 0.0000 0.4502 ( 3770 PWs) bands (ev): -30.8959 -30.8959 -30.8462 -30.8462 -12.3225 -12.3156 -12.2532 -12.2280 -11.9537 -11.9534 -11.9369 -11.9083 -11.7572 -11.7569 -11.7289 -11.7218 -6.9649 -6.9621 -5.6633 -5.6612 -4.6637 -4.6545 -4.3151 -4.3068 0.4624 0.4641 2.1417 2.1561 4.2420 4.2855 4.5011 4.5251 4.9772 4.9897 5.6956 5.6966 6.7792 6.7883 6.8046 6.8093 7.0124 7.0163 7.2650 7.2655 7.4837 7.4858 7.9836 7.9868 12.2014 12.2042 12.8535 12.8565 13.2384 13.2423 13.3952 13.3971 13.5224 13.5319 k = 0.0000 0.0000 0.4668 ( 3758 PWs) bands (ev): -30.8943 -30.8943 -30.8478 -30.8478 -12.3217 -12.3141 -12.2577 -12.2329 -11.9530 -11.9526 -11.9376 -11.9093 -11.7557 -11.7552 -11.7291 -11.7220 -6.9238 -6.9209 -5.7148 -5.7125 -4.6582 -4.6491 -4.3281 -4.3197 0.5255 0.5274 2.0909 2.1046 4.2829 4.3294 4.5043 4.5295 4.9808 4.9951 5.6853 5.6858 6.7522 6.7651 6.7921 6.7957 7.0275 7.0317 7.2783 7.2795 7.5017 7.5033 7.9664 7.9698 12.1877 12.1909 12.8470 12.8477 13.2840 13.2873 13.4592 13.4613 13.4892 13.4962 k = 0.0000 0.0000 0.4835 ( 3754 PWs) bands (ev): -30.8926 -30.8926 -30.8494 -30.8494 -12.3209 -12.3126 -12.2622 -12.2376 -11.9526 -11.9514 -11.9383 -11.9106 -11.7541 -11.7534 -11.7294 -11.7222 -6.8822 -6.8791 -5.7660 -5.7635 -4.6518 -4.6428 -4.3415 -4.3332 0.5893 0.5912 2.0397 2.0526 4.3186 4.3677 4.5043 4.5305 4.9896 5.0053 5.6760 5.6783 6.7182 6.7333 6.7756 6.7799 7.0502 7.0546 7.2966 7.2982 7.5200 7.5212 7.9475 7.9512 12.1775 12.1810 12.8326 12.8338 13.3314 13.3341 13.4524 13.4651 13.5291 13.5315 k = 0.0000 0.0000 0.5002 ( 3762 PWs) bands (ev): -30.8909 -30.8909 -30.8511 -30.8511 -12.3201 -12.3111 -12.2665 -12.2423 -11.9523 -11.9502 -11.9391 -11.9121 -11.7526 -11.7516 -11.7297 -11.7225 -6.8401 -6.8368 -5.8170 -5.8143 -4.6447 -4.6358 -4.3554 -4.3471 0.6536 0.6556 1.9879 2.0000 4.3485 4.3995 4.5013 4.5285 5.0048 5.0213 5.6686 5.6727 6.6808 6.6978 6.7544 6.7597 7.0793 7.0839 7.3185 7.3206 7.5379 7.5388 7.9267 7.9306 12.1712 12.1748 12.8115 12.8141 13.3798 13.3821 13.4304 13.4423 13.5943 13.5956 k = 0.0000 0.0000 0.5169 ( 3758 PWs) bands (ev): -30.8892 -30.8892 -30.8528 -30.8528 -12.3191 -12.3093 -12.2706 -12.2469 -11.9519 -11.9489 -11.9399 -11.9137 -11.7510 -11.7498 -11.7301 -11.7229 -6.7975 -6.7941 -5.8676 -5.8647 -4.6368 -4.6279 -4.3696 -4.3613 0.7183 0.7204 1.9354 1.9468 4.3721 4.4242 4.4959 4.5241 5.0271 5.0436 5.6624 5.6685 6.6421 6.6610 6.7295 6.7359 7.1135 7.1181 7.3430 7.3453 7.5548 7.5552 7.9039 7.9080 12.1688 12.1726 12.7846 12.7882 13.4118 13.4247 13.4330 13.4333 13.6568 13.6577 k = 0.0000 0.0000 0.5335 ( 3770 PWs) bands (ev): -30.8875 -30.8875 -30.8546 -30.8546 -12.3181 -12.3075 -12.2746 -12.2514 -11.9516 -11.9476 -11.9408 -11.9154 -11.7494 -11.7479 -11.7305 -11.7234 -6.7546 -6.7510 -5.9178 -5.9147 -4.6281 -4.6193 -4.3842 -4.3759 0.7832 0.7855 1.8822 1.8928 4.3897 4.4419 4.4886 4.5176 5.0567 5.0722 5.6567 5.6648 6.6037 6.6244 6.7022 6.7098 7.1515 7.1560 7.3690 7.3715 7.5698 7.5698 7.8788 7.8831 12.1707 12.1746 12.7525 12.7565 13.4069 13.4192 13.4798 13.4805 13.7150 13.7158 k = 0.0000 0.0000 0.5502 ( 3770 PWs) bands (ev): -30.8857 -30.8857 -30.8563 -30.8563 -12.3169 -12.3056 -12.2784 -12.2557 -11.9512 -11.9461 -11.9416 -11.9172 -11.7479 -11.7460 -11.7309 -11.7240 -6.7112 -6.7075 -5.9677 -5.9644 -4.6186 -4.6099 -4.3990 -4.3907 0.8483 0.8508 1.8281 1.8380 4.4018 4.4533 4.4799 4.5098 5.0930 5.1068 5.6505 5.6604 6.5671 6.5895 6.6732 6.6821 7.1924 7.1969 7.3958 7.3984 7.5823 7.5827 7.8515 7.8559 12.1768 12.1807 12.7158 12.7199 13.4082 13.4196 13.5265 13.5281 13.7678 13.7687 k = 0.0000 0.0000 0.5669 ( 3762 PWs) bands (ev): -30.8839 -30.8839 -30.8581 -30.8581 -12.3156 -12.3035 -12.2820 -12.2598 -11.9508 -11.9446 -11.9424 -11.9190 -11.7463 -11.7441 -11.7314 -11.7247 -6.6675 -6.6636 -6.0171 -6.0137 -4.6084 -4.5998 -4.4140 -4.4058 0.9135 0.9161 1.7732 1.7823 4.4094 4.4597 4.4705 4.5013 5.1349 5.1463 5.6426 5.6541 6.5338 6.5577 6.6436 6.6538 7.2355 7.2399 7.4227 7.4254 7.5922 7.5929 7.8218 7.8264 12.1873 12.1911 12.6757 12.6795 13.4167 13.4270 13.5700 13.5723 13.8141 13.8153 k = 0.0000 0.0000 0.5836 ( 3758 PWs) bands (ev): -30.8821 -30.8821 -30.8599 -30.8599 -12.3142 -12.3013 -12.2855 -12.2639 -11.9504 -11.9432 -11.9430 -11.9209 -11.7448 -11.7422 -11.7320 -11.7254 -6.6234 -6.6194 -6.0661 -6.0625 -4.5974 -4.5889 -4.4291 -4.4209 0.9786 0.9815 1.7173 1.7257 4.4137 4.4609 4.4624 4.4926 5.1811 5.1898 5.6319 5.6446 6.5052 6.5302 6.6139 6.6255 7.2801 7.2843 7.4491 7.4518 7.5991 7.6002 7.7898 7.7946 12.2021 12.2058 12.6331 12.6363 13.4315 13.4405 13.6076 13.6106 13.8533 13.8548 k = 0.0000 0.0000 0.6002 ( 3764 PWs) bands (ev): -30.8803 -30.8803 -30.8617 -30.8617 -12.3126 -12.2989 -12.2888 -12.2678 -11.9500 -11.9440 -11.9414 -11.9228 -11.7434 -11.7404 -11.7327 -11.7263 -6.5789 -6.5748 -6.1147 -6.1110 -4.5858 -4.5774 -4.4444 -4.4362 1.0436 1.0467 1.6604 1.6682 4.4156 4.4515 4.4626 4.4842 5.2301 5.2360 5.6172 5.6307 6.4823 6.5080 6.5847 6.5979 7.3258 7.3298 7.4745 7.4772 7.6030 7.6043 7.7555 7.7606 12.2212 12.2246 12.5890 12.5915 13.4517 13.4594 13.6363 13.6396 13.8849 13.8867 k = 0.0000 0.0000 0.6169 ( 3768 PWs) bands (ev): -30.8784 -30.8784 -30.8636 -30.8636 -12.3109 -12.2965 -12.2919 -12.2716 -11.9495 -11.9448 -11.9397 -11.9248 -11.7420 -11.7386 -11.7334 -11.7273 -6.5341 -6.5300 -6.1629 -6.1590 -4.5736 -4.5652 -4.4596 -4.4515 1.1082 1.1116 1.6026 1.6097 4.4163 4.4429 4.4615 4.4766 5.2808 5.2837 5.5978 5.6114 6.4662 6.4920 6.5567 6.5715 7.3720 7.3758 7.4986 7.5012 7.6035 7.6052 7.7191 7.7244 12.2444 12.2475 12.5443 12.5461 13.4763 13.4826 13.6527 13.6559 13.9092 13.9112 k = 0.0000 0.0000 0.6336 ( 3768 PWs) bands (ev): -30.8766 -30.8766 -30.8654 -30.8654 -12.3091 -12.2949 -12.2939 -12.2752 -11.9491 -11.9455 -11.9380 -11.9267 -11.7407 -11.7369 -11.7342 -11.7284 -6.4890 -6.4848 -6.2106 -6.2066 -4.5607 -4.5524 -4.4748 -4.4666 1.1725 1.1761 1.5438 1.5503 4.4166 4.4353 4.4600 4.4701 5.3319 5.3319 5.5731 5.5861 6.4571 6.4826 6.5306 6.5471 7.4183 7.4218 7.5209 7.5234 7.6007 7.6028 7.6806 7.6864 12.2716 12.2743 12.5000 12.5010 13.5044 13.5092 13.6549 13.6576 13.9242 13.9266 k = 0.0000 0.0000 0.6502 ( 3758 PWs) bands (ev): -30.8747 -30.8747 -30.8673 -30.8673 -12.3071 -12.2976 -12.2911 -12.2786 -11.9485 -11.9461 -11.9361 -11.9286 -11.7394 -11.7353 -11.7351 -11.7295 -6.4435 -6.4393 -6.2580 -6.2539 -4.5474 -4.5391 -4.4898 -4.4817 1.2362 1.2402 1.4840 1.4899 4.4170 4.4289 4.4587 4.4650 5.3794 5.3823 5.5431 5.5549 6.4552 6.4798 6.5070 6.5253 7.4644 7.4674 7.5410 7.5435 7.5944 7.5971 7.6403 7.6470 12.3025 12.3047 12.4567 12.4570 13.5347 13.5381 13.6441 13.6459 13.9298 13.9348 k = 0.0000 0.0000 0.6669 ( 3754 PWs) bands (ev): -30.8729 -30.8729 -30.8691 -30.8691 -12.3050 -12.3002 -12.2882 -12.2820 -11.9480 -11.9468 -11.9343 -11.9305 -11.7382 -11.7360 -11.7337 -11.7308 -6.3977 -6.3935 -6.3049 -6.3008 -4.5335 -4.5253 -4.5047 -4.4965 1.2993 1.3037 1.4233 1.4286 4.4182 4.4240 4.4583 4.4613 5.4253 5.4308 5.5080 5.5181 6.4600 6.4833 6.4868 6.5069 7.5099 7.5118 7.5579 7.5611 7.5843 7.5880 7.5985 7.6080 12.3369 12.3386 12.4146 12.4150 13.5659 13.5679 13.6236 13.6242 13.9367 13.9416 k = 0.0000 0.0000 0.6836 ( 3752 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3027 -12.3027 -12.2851 -12.2851 -11.9474 -11.9474 -11.9324 -11.9324 -11.7371 -11.7371 -11.7322 -11.7322 -6.3515 -6.3515 -6.3473 -6.3473 -4.5193 -4.5193 -4.5111 -4.5111 1.3617 1.3617 1.3666 1.3666 4.4204 4.4204 4.4591 4.4591 5.4684 5.4684 5.4764 5.4764 6.4709 6.4709 6.4926 6.4926 7.5517 7.5517 7.5543 7.5543 7.5765 7.5765 7.5812 7.5812 12.3744 12.3744 12.3755 12.3755 13.5966 13.5966 13.5972 13.5972 13.9412 13.9443 k = 0.0000 0.0000 0.6836 ( 3752 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3027 -12.3027 -12.2851 -12.2851 -11.9474 -11.9474 -11.9324 -11.9324 -11.7371 -11.7371 -11.7322 -11.7322 -6.3515 -6.3515 -6.3473 -6.3473 -4.5193 -4.5193 -4.5111 -4.5111 1.3617 1.3617 1.3666 1.3666 4.4204 4.4204 4.4591 4.4591 5.4684 5.4684 5.4764 5.4764 6.4709 6.4709 6.4926 6.4926 7.5517 7.5517 7.5543 7.5543 7.5765 7.5765 7.5812 7.5812 12.3744 12.3744 12.3755 12.3755 13.5966 13.5966 13.5972 13.5972 13.9411 13.9415 k =-0.0120 0.0112 0.6836 ( 3750 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3029 -12.3029 -12.2849 -12.2849 -11.9491 -11.9491 -11.9306 -11.9306 -11.7388 -11.7388 -11.7304 -11.7304 -6.3511 -6.3511 -6.3470 -6.3470 -4.5199 -4.5199 -4.5117 -4.5117 1.3626 1.3626 1.3676 1.3676 4.4191 4.4191 4.4578 4.4578 5.4692 5.4692 5.4774 5.4774 6.4716 6.4716 6.4933 6.4933 7.5442 7.5442 7.5519 7.5520 7.5782 7.5782 7.5868 7.5868 12.3754 12.3754 12.3766 12.3766 13.5899 13.5899 13.5910 13.5910 13.9372 13.9374 k =-0.0240 0.0223 0.6836 ( 3750 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3036 -12.3036 -12.2844 -12.2844 -11.9531 -11.9531 -11.9266 -11.9266 -11.7419 -11.7419 -11.7274 -11.7274 -6.3500 -6.3500 -6.3459 -6.3459 -4.5217 -4.5217 -4.5135 -4.5135 1.3654 1.3654 1.3707 1.3707 4.4149 4.4150 4.4540 4.4540 5.4716 5.4716 5.4804 5.4804 6.4737 6.4737 6.4954 6.4954 7.5317 7.5317 7.5414 7.5414 7.5851 7.5851 7.5954 7.5954 12.3782 12.3782 12.3798 12.3798 13.5708 13.5708 13.5725 13.5725 13.9264 13.9268 k =-0.0360 0.0335 0.6836 ( 3746 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3046 -12.3046 -12.2836 -12.2836 -11.9577 -11.9577 -11.9219 -11.9219 -11.7452 -11.7452 -11.7241 -11.7241 -6.3482 -6.3482 -6.3442 -6.3441 -4.5248 -4.5248 -4.5165 -4.5165 1.3700 1.3700 1.3758 1.3759 4.4083 4.4083 4.4478 4.4478 5.4754 5.4754 5.4851 5.4852 6.4772 6.4772 6.4988 6.4988 7.5171 7.5171 7.5272 7.5272 7.5930 7.5930 7.6037 7.6037 12.3831 12.3831 12.3851 12.3851 13.5412 13.5412 13.5432 13.5432 13.9100 13.9106 k =-0.0479 0.0447 0.6836 ( 3750 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3060 -12.3060 -12.2826 -12.2826 -11.9625 -11.9625 -11.9169 -11.9169 -11.7485 -11.7485 -11.7209 -11.7209 -6.3457 -6.3457 -6.3417 -6.3417 -4.5290 -4.5290 -4.5206 -4.5206 1.3765 1.3765 1.3829 1.3829 4.3992 4.3992 4.4393 4.4393 5.4808 5.4808 5.4915 5.4915 6.4819 6.4819 6.5034 6.5034 7.5008 7.5008 7.5110 7.5110 7.6006 7.6006 7.6114 7.6114 12.3898 12.3898 12.3923 12.3923 13.5032 13.5032 13.5054 13.5054 13.8895 13.8897 k =-0.0599 0.0559 0.6836 ( 3748 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3074 -12.3074 -12.2814 -12.2814 -11.9674 -11.9674 -11.9119 -11.9119 -11.7517 -11.7517 -11.7176 -11.7176 -6.3426 -6.3426 -6.3387 -6.3387 -4.5343 -4.5343 -4.5258 -4.5258 1.3846 1.3846 1.3918 1.3918 4.3880 4.3880 4.4289 4.4289 5.4875 5.4875 5.4992 5.4992 6.4875 6.4875 6.5089 6.5089 7.4831 7.4831 7.4933 7.4933 7.6076 7.6076 7.6184 7.6184 12.3983 12.3983 12.4014 12.4014 13.4592 13.4592 13.4614 13.4614 13.8659 13.8660 k =-0.0719 0.0670 0.6836 ( 3744 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3090 -12.3090 -12.2803 -12.2803 -11.9722 -11.9722 -11.9070 -11.9070 -11.7549 -11.7549 -11.7145 -11.7145 -6.3388 -6.3388 -6.3350 -6.3350 -4.5407 -4.5407 -4.5321 -4.5321 1.3943 1.3944 1.4023 1.4023 4.3751 4.3751 4.4168 4.4168 5.4953 5.4953 5.5081 5.5081 6.4938 6.4938 6.5151 6.5151 7.4642 7.4643 7.4744 7.4745 7.6141 7.6141 7.6248 7.6248 12.4084 12.4084 12.4121 12.4121 13.4112 13.4112 13.4136 13.4136 13.8400 13.8401 k =-0.0839 0.0782 0.6836 ( 3744 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3107 -12.3107 -12.2792 -12.2792 -11.9769 -11.9769 -11.9023 -11.9023 -11.7579 -11.7579 -11.7114 -11.7114 -6.3344 -6.3344 -6.3307 -6.3307 -4.5480 -4.5480 -4.5393 -4.5393 1.4056 1.4056 1.4144 1.4144 4.3608 4.3608 4.4033 4.4033 5.5041 5.5041 5.5179 5.5179 6.5004 6.5004 6.5216 6.5216 7.4445 7.4445 7.4547 7.4547 7.6200 7.6200 7.6306 7.6307 12.4200 12.4200 12.4242 12.4242 13.3610 13.3610 13.3638 13.3638 13.8123 13.8123 k =-0.0959 0.0894 0.6836 ( 3744 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3124 -12.3124 -12.2781 -12.2781 -11.9815 -11.9815 -11.8978 -11.8978 -11.7607 -11.7607 -11.7084 -11.7084 -6.3295 -6.3295 -6.3259 -6.3259 -4.5562 -4.5562 -4.5473 -4.5473 1.4181 1.4182 1.4278 1.4279 4.3454 4.3454 4.3889 4.3889 5.5138 5.5138 5.5284 5.5284 6.5069 6.5069 6.5280 6.5280 7.4243 7.4243 7.4344 7.4345 7.6255 7.6255 7.6359 7.6359 12.4327 12.4327 12.4375 12.4375 13.3101 13.3101 13.3135 13.3135 13.7832 13.7832 k =-0.1079 0.1006 0.6836 ( 3744 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3141 -12.3141 -12.2771 -12.2771 -11.9859 -11.9859 -11.8936 -11.8936 -11.7632 -11.7632 -11.7055 -11.7055 -6.3241 -6.3241 -6.3206 -6.3206 -4.5651 -4.5651 -4.5561 -4.5561 1.4319 1.4319 1.4425 1.4425 4.3293 4.3294 4.3738 4.3738 5.5240 5.5240 5.5394 5.5394 6.5129 6.5129 6.5338 6.5338 7.4040 7.4040 7.4142 7.4142 7.6305 7.6305 7.6408 7.6408 12.4462 12.4462 12.4516 12.4516 13.2599 13.2599 13.2639 13.2639 13.7531 13.7531 k =-0.1198 0.1117 0.6836 ( 3748 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3158 -12.3158 -12.2761 -12.2761 -11.9901 -11.9901 -11.8898 -11.8898 -11.7655 -11.7655 -11.7027 -11.7026 -6.3183 -6.3182 -6.3149 -6.3149 -4.5747 -4.5747 -4.5655 -4.5655 1.4466 1.4466 1.4581 1.4581 4.3130 4.3131 4.3585 4.3585 5.5347 5.5347 5.5507 5.5507 6.5177 6.5177 6.5385 6.5385 7.3840 7.3841 7.3943 7.3943 7.6352 7.6352 7.6452 7.6452 12.4601 12.4601 12.4661 12.4661 13.2115 13.2115 13.2161 13.2161 13.7224 13.7224 k =-0.1318 0.1229 0.6836 ( 3744 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3174 -12.3174 -12.2753 -12.2753 -11.9941 -11.9941 -11.8865 -11.8865 -11.7673 -11.7673 -11.6999 -11.6999 -6.3120 -6.3120 -6.3088 -6.3088 -4.5848 -4.5848 -4.5754 -4.5754 1.4620 1.4620 1.4744 1.4745 4.2969 4.2969 4.3433 4.3433 5.5456 5.5456 5.5621 5.5621 6.5209 6.5209 6.5416 6.5416 7.3650 7.3650 7.3754 7.3754 7.6396 7.6396 7.6493 7.6493 12.4738 12.4738 12.4804 12.4805 13.1658 13.1658 13.1710 13.1710 13.6918 13.6918 k =-0.1438 0.1341 0.6836 ( 3740 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3189 -12.3189 -12.2745 -12.2745 -11.9978 -11.9978 -11.8838 -11.8838 -11.7687 -11.7687 -11.6973 -11.6973 -6.3055 -6.3055 -6.3024 -6.3024 -4.5953 -4.5953 -4.5858 -4.5858 1.4780 1.4780 1.4914 1.4914 4.2811 4.2811 4.3285 4.3285 5.5567 5.5567 5.5736 5.5736 6.5217 6.5218 6.5424 6.5424 7.3474 7.3474 7.3579 7.3579 7.6438 7.6438 7.6532 7.6532 12.4867 12.4867 12.4939 12.4939 13.1238 13.1238 13.1295 13.1295 13.6618 13.6618 k =-0.1558 0.1453 0.6836 ( 3738 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3204 -12.3204 -12.2739 -12.2739 -12.0014 -12.0014 -11.8816 -11.8816 -11.7696 -11.7696 -11.6949 -11.6949 -6.2988 -6.2987 -6.2958 -6.2957 -4.6061 -4.6061 -4.5964 -4.5964 1.4943 1.4944 1.5086 1.5086 4.2662 4.2662 4.3145 4.3145 5.5678 5.5678 5.5850 5.5850 6.5198 6.5198 6.5405 6.5405 7.3315 7.3315 7.3423 7.3423 7.6479 7.6479 7.6570 7.6570 12.4979 12.4979 12.5058 12.5058 13.0860 13.0860 13.0923 13.0923 13.6332 13.6332 k =-0.1678 0.1564 0.6836 ( 3740 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3217 -12.3217 -12.2734 -12.2734 -12.0047 -12.0047 -11.8802 -11.8802 -11.7699 -11.7699 -11.6925 -11.6925 -6.2918 -6.2918 -6.2889 -6.2889 -4.6170 -4.6170 -4.6072 -4.6072 1.5107 1.5108 1.5258 1.5259 4.2524 4.2524 4.3016 4.3016 5.5787 5.5787 5.5962 5.5962 6.5147 6.5147 6.5354 6.5354 7.3177 7.3177 7.3287 7.3287 7.6521 7.6521 7.6607 7.6608 12.5067 12.5067 12.5151 12.5151 13.0531 13.0531 13.0598 13.0598 13.6068 13.6068 k =-0.1798 0.1676 0.6836 ( 3740 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3230 -12.3230 -12.2730 -12.2730 -12.0078 -12.0078 -11.8796 -11.8796 -11.7696 -11.7696 -11.6903 -11.6903 -6.2848 -6.2848 -6.2820 -6.2820 -4.6279 -4.6279 -4.6180 -4.6180 1.5270 1.5271 1.5429 1.5430 4.2400 4.2400 4.2900 4.2901 5.5895 5.5895 5.6070 5.6070 6.5060 6.5060 6.5268 6.5268 7.3060 7.3060 7.3172 7.3173 7.6565 7.6565 7.6648 7.6648 12.5123 12.5123 12.5212 12.5212 13.0254 13.0254 13.0324 13.0324 13.5836 13.5836 k =-0.1918 0.1788 0.6836 ( 3738 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3241 -12.3241 -12.2727 -12.2727 -12.0106 -12.0106 -11.8796 -11.8796 -11.7688 -11.7688 -11.6882 -11.6882 -6.2778 -6.2778 -6.2751 -6.2750 -4.6388 -4.6388 -4.6288 -4.6287 1.5430 1.5430 1.5596 1.5597 4.2292 4.2293 4.2801 4.2801 5.5999 5.5999 5.6175 5.6175 6.4939 6.4939 6.5147 6.5148 7.2964 7.2964 7.3078 7.3078 7.6616 7.6616 7.6693 7.6693 12.5142 12.5142 12.5234 12.5234 13.0026 13.0026 13.0100 13.0100 13.5647 13.5647 k =-0.2037 0.1899 0.6836 ( 3734 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3251 -12.3251 -12.2726 -12.2726 -12.0132 -12.0132 -11.8804 -11.8804 -11.7673 -11.7673 -11.6862 -11.6862 -6.2709 -6.2708 -6.2681 -6.2681 -4.6494 -4.6494 -4.6393 -4.6393 1.5584 1.5584 1.5757 1.5758 4.2205 4.2205 4.2720 4.2720 5.6098 5.6098 5.6274 5.6274 6.4783 6.4783 6.4993 6.4994 7.2883 7.2883 7.3000 7.3000 7.6675 7.6675 7.6747 7.6747 12.5121 12.5121 12.5215 12.5215 12.9841 12.9841 12.9918 12.9918 13.5513 13.5513 k =-0.2157 0.2011 0.6836 ( 3730 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3259 -12.3259 -12.2726 -12.2726 -12.0154 -12.0154 -11.8818 -11.8818 -11.7653 -11.7653 -11.6844 -11.6844 -6.2641 -6.2640 -6.2613 -6.2613 -4.6597 -4.6597 -4.6495 -4.6495 1.5730 1.5731 1.5910 1.5910 4.2138 4.2138 4.2659 4.2660 5.6191 5.6191 5.6367 5.6367 6.4598 6.4598 6.4810 6.4810 7.2813 7.2813 7.2931 7.2931 7.6746 7.6746 7.6813 7.6813 12.5063 12.5063 12.5157 12.5157 12.9688 12.9688 12.9767 12.9767 13.5447 13.5447 k =-0.2277 0.2123 0.6836 ( 3722 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3266 -12.3266 -12.2727 -12.2727 -12.0175 -12.0174 -11.8839 -11.8839 -11.7628 -11.7628 -11.6826 -11.6826 -6.2574 -6.2574 -6.2547 -6.2546 -4.6696 -4.6696 -4.6594 -4.6593 1.5868 1.5868 1.6053 1.6053 4.2095 4.2095 4.2621 4.2621 5.6275 5.6275 5.6451 5.6451 6.4388 6.4388 6.4602 6.4602 7.2746 7.2746 7.2865 7.2865 7.6834 7.6834 7.6894 7.6894 12.4971 12.4972 12.5065 12.5065 12.9552 12.9552 12.9634 12.9634 13.5459 13.5459 k =-0.2397 0.2235 0.6836 ( 3720 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3272 -12.3272 -12.2729 -12.2729 -12.0192 -12.0192 -11.8865 -11.8865 -11.7600 -11.7600 -11.6811 -11.6811 -6.2511 -6.2510 -6.2483 -6.2482 -4.6789 -4.6789 -4.6687 -4.6687 1.5995 1.5995 1.6184 1.6184 4.2076 4.2076 4.2605 4.2606 5.6349 5.6349 5.6524 5.6524 6.4160 6.4160 6.4377 6.4377 7.2674 7.2674 7.2793 7.2793 7.6940 7.6940 7.6994 7.6994 12.4855 12.4855 12.4947 12.4947 12.9419 12.9419 12.9503 12.9503 13.5558 13.5558 k =-0.2517 0.2346 0.6836 ( 3732 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3276 -12.3276 -12.2733 -12.2733 -12.0207 -12.0207 -11.8897 -11.8897 -11.7568 -11.7568 -11.6797 -11.6797 -6.2450 -6.2449 -6.2421 -6.2421 -4.6877 -4.6877 -4.6775 -4.6775 1.6110 1.6110 1.6302 1.6302 4.2083 4.2083 4.2614 4.2614 5.6410 5.6410 5.6584 5.6584 6.3923 6.3923 6.4143 6.4143 7.2588 7.2588 7.2709 7.2709 7.7066 7.7066 7.7115 7.7115 12.4721 12.4721 12.4810 12.4810 12.9278 12.9278 12.9363 12.9363 13.5746 13.5746 k =-0.2637 0.2458 0.6836 ( 3732 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3279 -12.3279 -12.2738 -12.2738 -12.0219 -12.0219 -11.8933 -11.8933 -11.7534 -11.7534 -11.6785 -11.6785 -6.2393 -6.2392 -6.2364 -6.2363 -4.6958 -4.6958 -4.6856 -4.6856 1.6212 1.6212 1.6406 1.6407 4.2116 4.2116 4.2647 4.2648 5.6453 5.6453 5.6628 5.6628 6.3686 6.3686 6.3909 6.3909 7.2484 7.2485 7.2605 7.2605 7.7216 7.7216 7.7259 7.7259 12.4577 12.4577 12.4663 12.4663 12.9123 12.9123 12.9208 12.9208 13.6025 13.6025 k =-0.2756 0.2570 0.6836 ( 3736 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3279 -12.3279 -12.2745 -12.2745 -12.0228 -12.0228 -11.8972 -11.8972 -11.7498 -11.7498 -11.6774 -11.6774 -6.2340 -6.2339 -6.2310 -6.2309 -4.7032 -4.7032 -4.6931 -4.6931 1.6301 1.6301 1.6496 1.6496 4.2175 4.2175 4.2705 4.2706 5.6476 5.6476 5.6652 5.6652 6.3456 6.3456 6.3684 6.3684 7.2357 7.2357 7.2477 7.2477 7.7386 7.7386 7.7425 7.7425 12.4428 12.4428 12.4512 12.4512 12.8954 12.8954 12.9037 12.9037 13.6388 13.6389 k =-0.2876 0.2682 0.6836 ( 3736 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3279 -12.3279 -12.2752 -12.2752 -12.0234 -12.0234 -11.9014 -11.9014 -11.7460 -11.7460 -11.6764 -11.6764 -6.2291 -6.2290 -6.2260 -6.2259 -4.7098 -4.7098 -4.6999 -4.6999 1.6377 1.6377 1.6571 1.6571 4.2260 4.2260 4.2788 4.2788 5.6475 5.6475 5.6652 5.6652 6.3244 6.3244 6.3477 6.3477 7.2203 7.2203 7.2324 7.2324 7.7577 7.7577 7.7611 7.7611 12.4280 12.4280 12.4360 12.4360 12.8770 12.8770 12.8851 12.8851 13.6829 13.6851 k =-0.2876 0.2682 0.6836 ( 3736 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3279 -12.3279 -12.2752 -12.2752 -12.0234 -12.0234 -11.9014 -11.9014 -11.7460 -11.7460 -11.6764 -11.6764 -6.2291 -6.2290 -6.2260 -6.2259 -4.7098 -4.7098 -4.6999 -4.6999 1.6377 1.6377 1.6571 1.6571 4.2260 4.2260 4.2788 4.2788 5.6475 5.6475 5.6652 5.6652 6.3244 6.3244 6.3477 6.3477 7.2203 7.2203 7.2324 7.2324 7.7577 7.7577 7.7611 7.7611 12.4280 12.4280 12.4360 12.4360 12.8770 12.8770 12.8851 12.8851 13.6829 13.6829 k =-0.2958 0.2758 0.6724 ( 3736 PWs) bands (ev): -30.8716 -30.8716 -30.8701 -30.8701 -12.3278 -12.3277 -12.2764 -12.2751 -12.0238 -12.0235 -11.9046 -11.9040 -11.7438 -11.7431 -11.6761 -11.6758 -6.2445 -6.2415 -6.2074 -6.2041 -4.7223 -4.7149 -4.7034 -4.6954 1.6089 1.6227 1.6810 1.6948 4.2226 4.2413 4.2782 4.2957 5.6139 5.6301 5.6791 5.6943 6.2941 6.3160 6.3321 6.3537 7.1955 7.2027 7.2263 7.2331 7.7597 7.7618 7.7837 7.7857 12.4118 12.4187 12.4254 12.4317 12.8578 12.8600 12.8754 12.8774 13.7018 13.7072 k =-0.3040 0.2834 0.6613 ( 3736 PWs) bands (ev): -30.8723 -30.8723 -30.8694 -30.8694 -12.3276 -12.3274 -12.2775 -12.2750 -12.0241 -12.0235 -11.9078 -11.9066 -11.7417 -11.7403 -11.6758 -11.6751 -6.2587 -6.2558 -6.1872 -6.1838 -4.7344 -4.7271 -4.6990 -4.6903 1.5796 1.5935 1.7180 1.7319 4.2196 4.2514 4.2848 4.3138 5.5765 5.5939 5.7081 5.7238 6.2640 6.2866 6.3426 6.3646 7.1678 7.1759 7.2276 7.2346 7.7609 7.7629 7.8083 7.8100 12.3958 12.4032 12.4214 12.4274 12.8365 12.8385 12.8691 12.8708 13.7232 13.7284 k =-0.3121 0.2910 0.6501 ( 3737 PWs) bands (ev): -30.8729 -30.8729 -30.8688 -30.8688 -12.3275 -12.3272 -12.2786 -12.2749 -12.0243 -12.0234 -11.9108 -11.9091 -11.7397 -11.7376 -11.6756 -11.6746 -6.2718 -6.2690 -6.1687 -6.1650 -4.7457 -4.7388 -4.6943 -4.6853 1.5519 1.5658 1.7529 1.7666 4.2177 4.2555 4.2990 4.3323 5.5372 5.5558 5.7366 5.7527 6.2343 6.2572 6.3576 6.3793 7.1389 7.1478 7.2287 7.2357 7.7619 7.7637 7.8318 7.8333 12.3804 12.3879 12.4175 12.4231 12.8151 12.8169 12.8633 12.8646 13.7469 13.7518 k =-0.3203 0.2986 0.6389 ( 3743 PWs) bands (ev): -30.8735 -30.8735 -30.8682 -30.8682 -12.3272 -12.3270 -12.2796 -12.2748 -12.0244 -12.0233 -11.9138 -11.9115 -11.7379 -11.7351 -11.6755 -11.6742 -6.2836 -6.2809 -6.1517 -6.1479 -4.7560 -4.7496 -4.6897 -4.6805 1.5260 1.5399 1.7851 1.7985 4.2169 4.2573 4.3166 4.3507 5.4974 5.5168 5.7642 5.7808 6.2052 6.2283 6.3760 6.3971 7.1093 7.1189 7.2293 7.2364 7.7627 7.7643 7.8539 7.8553 12.3657 12.3733 12.4137 12.4187 12.7942 12.7959 12.8580 12.8590 13.7727 13.7774 k =-0.3285 0.3062 0.6278 ( 3742 PWs) bands (ev): -30.8741 -30.8741 -30.8677 -30.8677 -12.3270 -12.3267 -12.2805 -12.2746 -12.0244 -12.0231 -11.9165 -11.9138 -11.7361 -11.7327 -11.6755 -11.6738 -6.2943 -6.2916 -6.1365 -6.1325 -4.7655 -4.7595 -4.6854 -4.6759 1.5023 1.5161 1.8145 1.8275 4.2170 4.2590 4.3352 4.3686 5.4582 5.4781 5.7910 5.8082 6.1768 6.2001 6.3969 6.4170 7.0792 7.0896 7.2296 7.2367 7.7633 7.7647 7.8744 7.8757 12.3520 12.3596 12.4100 12.4144 12.7744 12.7761 12.8533 12.8540 13.8006 13.8050 k =-0.3366 0.3138 0.6166 ( 3744 PWs) bands (ev): -30.8745 -30.8745 -30.8672 -30.8672 -12.3267 -12.3264 -12.2814 -12.2745 -12.0243 -12.0229 -11.9190 -11.9159 -11.7346 -11.7306 -11.6755 -11.6735 -6.3036 -6.3011 -6.1229 -6.1188 -4.7739 -4.7684 -4.6813 -4.6715 1.4808 1.4946 1.8408 1.8535 4.2181 4.2611 4.3537 4.3855 5.4206 5.4407 5.8168 5.8346 6.1494 6.1728 6.4195 6.4385 7.0493 7.0605 7.2296 7.2366 7.7637 7.7650 7.8930 7.8943 12.3394 12.3469 12.4064 12.4103 12.7563 12.7579 12.8494 12.8499 13.8301 13.8341 k =-0.3448 0.3215 0.6054 ( 3744 PWs) bands (ev): -30.8749 -30.8749 -30.8668 -30.8668 -12.3265 -12.3261 -12.2822 -12.2744 -12.0242 -12.0227 -11.9213 -11.9178 -11.7332 -11.7286 -11.6756 -11.6732 -6.3118 -6.3093 -6.1111 -6.1068 -4.7812 -4.7763 -4.6776 -4.6676 1.4618 1.4756 1.8640 1.8762 4.2197 4.2637 4.3716 4.4011 5.3856 5.4054 5.8417 5.8602 6.1228 6.1462 6.4430 6.4606 7.0199 7.0319 7.2293 7.2364 7.7640 7.7651 7.9096 7.9108 12.3280 12.3355 12.4030 12.4063 12.7400 12.7416 12.8462 12.8465 13.8611 13.8646 k =-0.3530 0.3291 0.5943 ( 3746 PWs) bands (ev): -30.8753 -30.8753 -30.8664 -30.8664 -12.3263 -12.3259 -12.2828 -12.2743 -12.0241 -12.0225 -11.9233 -11.9194 -11.7320 -11.7269 -11.6757 -11.6730 -6.3187 -6.3163 -6.1011 -6.0966 -4.7875 -4.7830 -4.6744 -4.6642 1.4455 1.4592 1.8839 1.8956 4.2218 4.2664 4.3882 4.4150 5.3541 5.3733 5.8658 5.8849 6.0971 6.1206 6.4667 6.4825 6.9918 7.0046 7.2289 7.2360 7.7642 7.7652 7.9239 7.9251 12.3180 12.3255 12.3999 12.4027 12.7260 12.7276 12.8437 12.8439 13.8930 13.8961 k =-0.3611 0.3367 0.5831 ( 3744 PWs) bands (ev): -30.8756 -30.8756 -30.8661 -30.8661 -12.3262 -12.3256 -12.2834 -12.2742 -12.0240 -12.0223 -11.9250 -11.9208 -11.7310 -11.7254 -11.6758 -11.6729 -6.3244 -6.3220 -6.0928 -6.0883 -4.7926 -4.7887 -4.6716 -4.6613 1.4320 1.4457 1.9003 1.9116 4.2239 4.2691 4.4032 4.4267 5.3270 5.3453 5.8891 5.9088 6.0724 6.0959 6.4894 6.5030 6.9659 6.9795 7.2285 7.2356 7.7643 7.7651 7.9359 7.9371 12.3097 12.3171 12.3973 12.3996 12.7143 12.7159 12.8419 12.8420 13.9252 13.9277 k =-0.3693 0.3443 0.5719 ( 3738 PWs) bands (ev): -30.8758 -30.8758 -30.8659 -30.8659 -12.3260 -12.3254 -12.2838 -12.2741 -12.0238 -12.0221 -11.9263 -11.9219 -11.7302 -11.7242 -11.6759 -11.6727 -6.3288 -6.3265 -6.0864 -6.0818 -4.7966 -4.7931 -4.6694 -4.6589 1.4213 1.4350 1.9133 1.9241 4.2260 4.2716 4.4159 4.4359 5.3051 5.3223 5.9117 5.9320 6.0486 6.0720 6.5100 6.5211 6.9434 6.9575 7.2281 7.2352 7.7644 7.7651 7.9453 7.9465 12.3030 12.3105 12.3952 12.3969 12.7051 12.7067 12.8405 12.8407 13.9567 13.9587 k =-0.3775 0.3519 0.5607 ( 3734 PWs) bands (ev): -30.8759 -30.8759 -30.8658 -30.8658 -12.3259 -12.3252 -12.2841 -12.2741 -12.0237 -12.0220 -11.9273 -11.9227 -11.7296 -11.7234 -11.6760 -11.6726 -6.3320 -6.3296 -6.0818 -6.0771 -4.7995 -4.7963 -4.6678 -4.6572 1.4137 1.4273 1.9226 1.9331 4.2276 4.2736 4.4259 4.4423 5.2890 5.3051 5.9338 5.9543 6.0258 6.0490 6.5270 6.5351 6.9257 6.9402 7.2278 7.2349 7.7645 7.7650 7.9521 7.9532 12.2982 12.3056 12.3937 12.3948 12.6985 12.7002 12.8396 12.8398 13.9856 13.9870 k =-0.3856 0.3595 0.5496 ( 3727 PWs) bands (ev): -30.8760 -30.8760 -30.8657 -30.8657 -12.3258 -12.3251 -12.2843 -12.2740 -12.0237 -12.0219 -11.9279 -11.9232 -11.7292 -11.7228 -11.6760 -11.6725 -6.3338 -6.3316 -6.0790 -6.0743 -4.8012 -4.7982 -4.6669 -4.6562 1.4091 1.4227 1.9282 1.9385 4.2286 4.2749 4.4325 4.4459 5.2792 5.2944 5.9551 5.9746 6.0051 6.0273 6.5387 6.5437 6.9142 6.9290 7.2276 7.2347 7.7646 7.7650 7.9562 7.9573 12.2953 12.3027 12.3929 12.3935 12.6945 12.6962 12.8392 12.8393 14.0077 14.0089 k =-0.3938 0.3672 0.5384 ( 3733 PWs) bands (ev): -30.8761 -30.8761 -30.8656 -30.8656 -12.3258 -12.3251 -12.2844 -12.2740 -12.0237 -12.0219 -11.9281 -11.9234 -11.7291 -11.7227 -11.6760 -11.6725 -6.3345 -6.3322 -6.0781 -6.0733 -4.8017 -4.7989 -4.6665 -4.6559 1.4075 1.4211 1.9300 1.9403 4.2290 4.2753 4.4348 4.4470 5.2758 5.2908 5.9708 5.9802 5.9978 6.0129 6.5433 6.5463 6.9102 6.9251 7.2275 7.2346 7.7646 7.7650 7.9576 7.9587 12.2943 12.3016 12.3928 12.3929 12.6932 12.6949 12.8390 12.8391 14.0163 14.0179 k =-0.3938 0.3672 0.5384 ( 3733 PWs) bands (ev): -30.8761 -30.8761 -30.8656 -30.8656 -12.3258 -12.3251 -12.2844 -12.2740 -12.0237 -12.0219 -11.9281 -11.9234 -11.7291 -11.7227 -11.6760 -11.6725 -6.3345 -6.3322 -6.0781 -6.0733 -4.8017 -4.7989 -4.6665 -4.6559 1.4075 1.4211 1.9300 1.9403 4.2290 4.2753 4.4348 4.4470 5.2758 5.2908 5.9708 5.9802 5.9978 6.0129 6.5433 6.5463 6.9102 6.9251 7.2275 7.2346 7.7646 7.7650 7.9576 7.9587 12.2943 12.3016 12.3928 12.3929 12.6932 12.6949 12.8390 12.8391 14.0163 14.0179 k =-0.3853 0.3592 0.5267 ( 3733 PWs) bands (ev): -30.8769 -30.8769 -30.8648 -30.8648 -12.3267 -12.3263 -12.2830 -12.2715 -12.0250 -12.0229 -11.9232 -11.9179 -11.7333 -11.7263 -11.6762 -11.6726 -6.3571 -6.3548 -6.0579 -6.0528 -4.8096 -4.8065 -4.6548 -4.6436 1.3693 1.3833 1.9719 1.9830 4.1951 4.2411 4.4303 4.4442 5.2634 5.2792 5.9482 5.9742 6.0451 6.0648 6.5544 6.5578 6.9289 6.9444 7.2654 7.2720 7.7226 7.7232 7.9403 7.9415 12.2955 12.3032 12.4034 12.4036 12.6984 12.7000 12.8624 12.8628 13.9514 13.9533 k =-0.3767 0.3512 0.5150 ( 3733 PWs) bands (ev): -30.8778 -30.8778 -30.8639 -30.8639 -12.3274 -12.3274 -12.2817 -12.2691 -12.0262 -12.0236 -11.9184 -11.9124 -11.7375 -11.7300 -11.6764 -11.6728 -6.3814 -6.3792 -6.0363 -6.0308 -4.8172 -4.8140 -4.6422 -4.6305 1.3288 1.3431 2.0154 2.0273 4.1605 4.2061 4.4282 4.4435 5.2514 5.2680 5.9118 5.9377 6.1196 6.1386 6.5654 6.5693 6.9474 6.9635 7.3013 7.3074 7.6796 7.6804 7.9216 7.9230 12.2975 12.3055 12.4141 12.4145 12.7023 12.7036 12.8832 12.8838 13.8910 13.8933 k =-0.3681 0.3432 0.5033 ( 3729 PWs) bands (ev): -30.8787 -30.8787 -30.8630 -30.8630 -12.3284 -12.3280 -12.2804 -12.2666 -12.0270 -12.0241 -11.9137 -11.9070 -11.7419 -11.7338 -11.6768 -11.6732 -6.4074 -6.4052 -6.0132 -6.0074 -4.8245 -4.8211 -4.6290 -4.6168 1.2861 1.3005 2.0601 2.0727 4.1252 4.1703 4.4284 4.4450 5.2402 5.2574 5.8769 5.9027 6.1948 6.2131 6.5763 6.5807 6.9652 6.9818 7.3350 7.3406 7.6362 7.6373 7.9016 7.9030 12.3005 12.3087 12.4250 12.4255 12.7044 12.7054 12.9003 12.9012 13.8357 13.8386 k =-0.3596 0.3352 0.4916 ( 3733 PWs) bands (ev): -30.8797 -30.8797 -30.8620 -30.8620 -12.3292 -12.3284 -12.2791 -12.2642 -12.0277 -12.0243 -11.9091 -11.9017 -11.7463 -11.7376 -11.6774 -11.6737 -6.4350 -6.4328 -5.9886 -5.9826 -4.8313 -4.8278 -4.6149 -4.6024 1.2413 1.2558 2.1057 2.1191 4.0893 4.1339 4.4310 4.4487 5.2300 5.2479 5.8437 5.8693 6.2702 6.2879 6.5868 6.5917 6.9820 6.9988 7.3663 7.3714 7.5931 7.5945 7.8803 7.8817 12.3044 12.3128 12.4358 12.4364 12.7047 12.7054 12.9133 12.9145 13.7861 13.7895 k =-0.3510 0.3272 0.4799 ( 3727 PWs) bands (ev): -30.8808 -30.8808 -30.8610 -30.8610 -12.3299 -12.3286 -12.2777 -12.2617 -12.0280 -12.0243 -11.9046 -11.8965 -11.7507 -11.7415 -11.6780 -11.6744 -6.4640 -6.4619 -5.9627 -5.9564 -4.8376 -4.8340 -4.6003 -4.5874 1.1946 1.2091 2.1519 2.1660 4.0529 4.0971 4.4358 4.4542 5.2212 5.2396 5.8122 5.8376 6.3454 6.3627 6.5968 6.6023 6.9970 7.0139 7.3950 7.3998 7.5510 7.5528 7.8578 7.8593 12.3094 12.3178 12.4466 12.4473 12.7031 12.7035 12.9218 12.9234 13.7425 13.7463 k =-0.3424 0.3193 0.4682 ( 3725 PWs) bands (ev): -30.8818 -30.8818 -30.8599 -30.8599 -12.3305 -12.3287 -12.2764 -12.2591 -12.0282 -12.0240 -11.9003 -11.8915 -11.7551 -11.7453 -11.6788 -11.6753 -6.4945 -6.4926 -5.9354 -5.9288 -4.8433 -4.8396 -4.5850 -4.5719 1.1462 1.1606 2.1982 2.2130 4.0163 4.0600 4.4424 4.4615 5.2139 5.2327 5.7826 5.8076 6.4201 6.4371 6.6062 6.6124 7.0097 7.0264 7.4211 7.4254 7.5108 7.5131 7.8344 7.8359 12.3154 12.3237 12.4571 12.4579 12.6998 12.6999 12.9261 12.9279 13.7049 13.7092 k =-0.3339 0.3113 0.4565 ( 3721 PWs) bands (ev): -30.8830 -30.8830 -30.8588 -30.8588 -12.3309 -12.3287 -12.2749 -12.2566 -12.0281 -12.0235 -11.8961 -11.8866 -11.7595 -11.7492 -11.6797 -11.6763 -6.5264 -6.5245 -5.9068 -5.8999 -4.8484 -4.8445 -4.5692 -4.5559 1.0962 1.1103 2.2444 2.2599 3.9794 4.0228 4.4508 4.4703 5.2083 5.2275 5.7551 5.7796 6.4938 6.5109 6.6149 6.6218 7.0192 7.0353 7.4443 7.4482 7.4735 7.4766 7.8102 7.8118 12.3224 12.3306 12.4674 12.4681 12.6949 12.6951 12.9266 12.9287 13.6732 13.6780 k =-0.3253 0.3033 0.4448 ( 3725 PWs) bands (ev): -30.8841 -30.8841 -30.8577 -30.8577 -12.3313 -12.3286 -12.2734 -12.2540 -12.0278 -12.0227 -11.8922 -11.8819 -11.7639 -11.7531 -11.6808 -11.6775 -6.5595 -6.5578 -5.8769 -5.8697 -4.8526 -4.8488 -4.5529 -4.5395 1.0447 1.0586 2.2901 2.3062 3.9426 3.9855 4.4605 4.4802 5.2044 5.2239 5.7296 5.7537 6.5657 6.5836 6.6227 6.6310 7.0246 7.0397 7.4401 7.4436 7.4647 7.4686 7.7857 7.7872 12.3305 12.3385 12.4769 12.4775 12.6891 12.6895 12.9242 12.9266 13.6470 13.6521 k =-0.3168 0.2953 0.4331 ( 3731 PWs) bands (ev): -30.8853 -30.8853 -30.8565 -30.8565 -12.3315 -12.3283 -12.2719 -12.2514 -12.0272 -12.0217 -11.8885 -11.8775 -11.7683 -11.7570 -11.6819 -11.6789 -6.5938 -6.5922 -5.8458 -5.8383 -4.8562 -4.8523 -4.5362 -4.5227 0.9920 1.0055 2.3350 2.3518 3.9058 3.9484 4.4712 4.4909 5.2024 5.2221 5.7066 5.7301 6.6266 6.6294 6.6485 6.6551 7.0251 7.0386 7.4116 7.4162 7.4821 7.4856 7.7613 7.7629 12.3396 12.3473 12.4855 12.4858 12.6835 12.6840 12.9201 12.9226 13.6256 13.6310 k =-0.3082 0.2873 0.4214 ( 3739 PWs) bands (ev): -30.8865 -30.8865 -30.8553 -30.8553 -12.3316 -12.3280 -12.2702 -12.2488 -12.0264 -12.0205 -11.8851 -11.8733 -11.7725 -11.7607 -11.6832 -11.6804 -6.6291 -6.6276 -5.8134 -5.8058 -4.8588 -4.8550 -4.5191 -4.5056 0.9381 0.9513 2.3788 2.3962 3.8693 3.9116 4.4825 4.5020 5.2022 5.2220 5.6862 5.7090 6.6351 6.6407 6.7093 6.7246 7.0205 7.0317 7.3884 7.3942 7.4965 7.4997 7.7378 7.7394 12.3499 12.3573 12.4924 12.4924 12.6791 12.6797 12.9152 12.9179 13.6083 13.6138 k =-0.2996 0.2794 0.4097 ( 3741 PWs) bands (ev): -30.8878 -30.8878 -30.8541 -30.8541 -12.3316 -12.3276 -12.2683 -12.2460 -12.0255 -12.0191 -11.8820 -11.8694 -11.7766 -11.7644 -11.6845 -11.6820 -6.6654 -6.6640 -5.7799 -5.7720 -4.8607 -4.8568 -4.5018 -4.4882 0.8833 0.8960 2.4214 2.4393 3.8331 3.8751 4.4940 4.5131 5.2033 5.2231 5.6689 5.6910 6.6397 6.6464 6.7737 6.7916 7.0118 7.0195 7.3700 7.3769 7.5081 7.5110 7.7160 7.7177 12.3614 12.3682 12.4967 12.4972 12.6772 12.6777 12.9108 12.9135 13.5938 13.5994 k =-0.2911 0.2714 0.3980 ( 3745 PWs) bands (ev): -30.8890 -30.8890 -30.8528 -30.8528 -12.3315 -12.3272 -12.2663 -12.2431 -12.0243 -12.0175 -11.8793 -11.8658 -11.7804 -11.7678 -11.6860 -11.6837 -6.7025 -6.7012 -5.7453 -5.7372 -4.8617 -4.8579 -4.4842 -4.4708 0.8276 0.8398 2.4624 2.4808 3.7975 3.8392 4.5053 4.5238 5.2056 5.2252 5.6551 5.6764 6.6429 6.6503 6.8325 6.8544 7.0021 7.0045 7.3552 7.3631 7.5168 7.5194 7.6972 7.6990 12.3739 12.3803 12.4983 12.4994 12.6789 12.6793 12.9077 12.9103 13.5809 13.5865 k =-0.2825 0.2634 0.3863 ( 3745 PWs) bands (ev): -30.8903 -30.8903 -30.8516 -30.8516 -12.3314 -12.3267 -12.2641 -12.2402 -12.0229 -12.0157 -11.8769 -11.8627 -11.7840 -11.7711 -11.6875 -11.6855 -6.7402 -6.7390 -5.7096 -5.7014 -4.8618 -4.8581 -4.4665 -4.4532 0.7712 0.7830 2.5018 2.5205 3.7624 3.8038 4.5159 4.5337 5.2083 5.2275 5.6456 5.6658 6.6449 6.6526 6.8776 6.9064 6.9944 7.0002 7.3419 7.3505 7.5228 7.5252 7.6826 7.6845 12.3876 12.3934 12.4970 12.4987 12.6847 12.6851 12.9067 12.9091 13.5684 13.5738 k =-0.2740 0.2554 0.3745 ( 3739 PWs) bands (ev): -30.8916 -30.8916 -30.8503 -30.8503 -12.3311 -12.3263 -12.2617 -12.2371 -12.0213 -12.0138 -11.8751 -11.8600 -11.7873 -11.7740 -11.6891 -11.6874 -6.7785 -6.7775 -5.6730 -5.6646 -4.8611 -4.8575 -4.4488 -4.4356 0.7143 0.7255 2.5393 2.5585 3.7280 3.7692 4.5253 4.5423 5.2108 5.2293 5.6409 5.6600 6.6454 6.6534 6.8949 6.9242 7.0138 7.0212 7.3281 7.3369 7.5263 7.5284 7.6736 7.6756 12.4023 12.4075 12.4933 12.4954 12.6949 12.6953 12.9083 12.9105 13.5547 13.5599 k =-0.2654 0.2474 0.3628 ( 3751 PWs) bands (ev): -30.8929 -30.8929 -30.8490 -30.8490 -12.3309 -12.3259 -12.2590 -12.2339 -12.0196 -12.0117 -11.8738 -11.8579 -11.7902 -11.7766 -11.6907 -11.6894 -6.8173 -6.8163 -5.6354 -5.6268 -4.8596 -4.8561 -4.4311 -4.4182 0.6569 0.6676 2.5751 2.5945 3.6944 3.7353 4.5332 4.5491 5.2121 5.2297 5.6417 5.6594 6.6447 6.6527 6.8877 6.9107 7.0607 7.0628 7.3119 7.3208 7.5274 7.5292 7.6713 7.6734 12.4179 12.4225 12.4878 12.4901 12.7092 12.7098 12.9131 12.9150 13.5385 13.5433 k =-0.2568 0.2394 0.3511 ( 3747 PWs) bands (ev): -30.8942 -30.8942 -30.8477 -30.8477 -12.3306 -12.3255 -12.2561 -12.2305 -12.0177 -12.0095 -11.8731 -11.8563 -11.7926 -11.7788 -11.6924 -11.6915 -6.8563 -6.8554 -5.5970 -5.5883 -4.8572 -4.8539 -4.4135 -4.4008 0.5993 0.6093 2.6089 2.6286 3.6618 3.7024 4.5391 4.5538 5.2117 5.2281 5.6485 5.6646 6.6426 6.6507 6.8715 6.8902 7.1104 7.1117 7.2927 7.3015 7.5264 7.5281 7.6760 7.6780 12.4341 12.4383 12.4813 12.4836 12.7272 12.7281 12.9213 12.9228 13.5183 13.5226 k =-0.2483 0.2315 0.3394 ( 3747 PWs) bands (ev): -30.8956 -30.8956 -30.8464 -30.8464 -12.3303 -12.3251 -12.2530 -12.2270 -12.0156 -12.0072 -11.8730 -11.8555 -11.7944 -11.7805 -11.6942 -11.6936 -6.8955 -6.8947 -5.5578 -5.5490 -4.8540 -4.8509 -4.3961 -4.3837 0.5414 0.5509 2.6410 2.6609 3.6300 3.6704 4.5427 4.5561 5.2088 5.2239 5.6611 5.6757 6.6395 6.6475 6.8533 6.8693 7.1565 7.1595 7.2713 7.2802 7.5237 7.5251 7.6875 7.6893 12.4493 12.4534 12.4759 12.4778 12.7485 12.7498 12.9331 12.9342 13.4931 13.4968 k =-0.2397 0.2235 0.3277 ( 3755 PWs) bands (ev): -30.8969 -30.8969 -30.8451 -30.8451 -12.3300 -12.3249 -12.2497 -12.2234 -12.0134 -12.0048 -11.8736 -11.8553 -11.7957 -11.7816 -11.6960 -11.6958 -6.9348 -6.9341 -5.5179 -5.5090 -4.8501 -4.8471 -4.3790 -4.3669 0.4835 0.4924 2.6714 2.6913 3.5994 3.6394 4.5436 4.5555 5.2032 5.2169 5.6794 5.6924 6.6355 6.6433 6.8358 6.8498 7.1938 7.1971 7.2534 7.2633 7.5196 7.5206 7.7051 7.7065 12.4551 12.4591 12.4802 12.4816 12.7728 12.7744 12.9485 12.9492 13.4620 13.4652 k =-0.2312 0.2155 0.3160 ( 3755 PWs) bands (ev): -30.8982 -30.8982 -30.8438 -30.8438 -12.3296 -12.3246 -12.2460 -12.2195 -12.0111 -12.0023 -11.8749 -11.8559 -11.7964 -11.7822 -11.6979 -11.6978 -6.9739 -6.9733 -5.4774 -5.4685 -4.8454 -4.8426 -4.3622 -4.3505 0.4257 0.4340 2.7002 2.7202 3.5698 3.6095 4.5416 4.5519 5.1949 5.2072 5.7023 5.7139 6.6312 6.6386 6.8201 6.8326 7.1967 7.2006 7.2647 7.2749 7.5143 7.5151 7.7280 7.7287 12.4490 12.4524 12.4966 12.4982 12.7996 12.8016 12.9677 12.9678 13.4250 13.4275 k =-0.2226 0.2075 0.3043 ( 3759 PWs) bands (ev): -30.8995 -30.8995 -30.8425 -30.8425 -12.3293 -12.3245 -12.2421 -12.2156 -12.0087 -11.9997 -11.8768 -11.8572 -11.7966 -11.7823 -11.7002 -11.6996 -7.0129 -7.0124 -5.4364 -5.4274 -4.8399 -4.8373 -4.3458 -4.3345 0.3681 0.3758 2.7276 2.7476 3.5415 3.5807 4.5364 4.5451 5.1841 5.1952 5.7286 5.7390 6.6270 6.6339 6.8068 6.8179 7.1728 7.1774 7.2982 7.3086 7.5083 7.5087 7.7550 7.7551 12.4394 12.4424 12.5164 12.5179 12.8286 12.8308 12.9899 12.9904 13.3825 13.3843 k =-0.2140 0.1995 0.2926 ( 3755 PWs) bands (ev): -30.9008 -30.9008 -30.8412 -30.8412 -12.3290 -12.3244 -12.2380 -12.2114 -12.0062 -11.9972 -11.8793 -11.8591 -11.7963 -11.7818 -11.7023 -11.7014 -7.0515 -7.0511 -5.3950 -5.3860 -4.8338 -4.8315 -4.3299 -4.3190 0.3107 0.3179 2.7538 2.7737 3.5143 3.5532 4.5280 4.5350 5.1712 5.1811 5.7566 5.7663 6.6240 6.6303 6.7958 6.8057 7.1443 7.1491 7.3330 7.3439 7.5019 7.5019 7.7845 7.7855 12.4283 12.4310 12.5375 12.5390 12.8591 12.8614 13.0154 13.0165 13.3358 13.3368 k =-0.2055 0.1916 0.2809 ( 3753 PWs) bands (ev): -30.9021 -30.9021 -30.8400 -30.8400 -12.3287 -12.3243 -12.2337 -12.2072 -12.0036 -11.9946 -11.8822 -11.8617 -11.7956 -11.7810 -11.7045 -11.7031 -7.0897 -7.0893 -5.3533 -5.3443 -4.8271 -4.8250 -4.3146 -4.3041 0.2538 0.2604 2.7790 2.7987 3.4885 3.5269 4.5164 4.5216 5.1565 5.1655 5.7846 5.7937 6.6232 6.6287 6.7867 6.7954 7.1158 7.1205 7.3656 7.3773 7.4950 7.4955 7.8164 7.8183 12.4155 12.4178 12.5591 12.5607 12.8899 12.8919 13.0440 13.0457 13.2871 13.2872 k =-0.1969 0.1836 0.2692 ( 3765 PWs) bands (ev): -30.9033 -30.9033 -30.8388 -30.8388 -12.3285 -12.3244 -12.2292 -12.2028 -12.0010 -11.9921 -11.8856 -11.8648 -11.7945 -11.7799 -11.7066 -11.7049 -7.1273 -7.1270 -5.3114 -5.3024 -4.8198 -4.8179 -4.2999 -4.2898 0.1975 0.2035 2.8033 2.8228 3.4640 3.5018 4.5015 4.5049 5.1405 5.1487 5.8105 5.8193 6.6259 6.6305 6.7788 6.7864 7.0891 7.0938 7.3955 7.4080 7.4883 7.4893 7.8499 7.8526 12.4007 12.4026 12.5807 12.5826 12.9188 12.9200 13.0754 13.0778 13.2392 13.2402 k =-0.1883 0.1756 0.2575 ( 3757 PWs) bands (ev): -30.9046 -30.9046 -30.8375 -30.8375 -12.3283 -12.3244 -12.2244 -12.1982 -11.9983 -11.9895 -11.8893 -11.8682 -11.7931 -11.7785 -11.7086 -11.7066 -7.1643 -7.1640 -5.2694 -5.2604 -4.8120 -4.8103 -4.2858 -4.2763 0.1418 0.1473 2.8270 2.8463 3.4409 3.4781 4.4836 4.4853 5.1234 5.1310 5.8322 5.8408 6.6337 6.6374 6.7710 6.7776 7.0660 7.0706 7.4225 7.4359 7.4822 7.4841 7.8844 7.8879 12.3833 12.3849 12.6015 12.6040 12.9411 12.9415 13.1093 13.1123 13.1991 13.2019 k =-0.1798 0.1676 0.2458 ( 3757 PWs) bands (ev): -30.9058 -30.9058 -30.8363 -30.8363 -12.3281 -12.3245 -12.2195 -12.1935 -11.9956 -11.9871 -11.8932 -11.8720 -11.7916 -11.7769 -11.7105 -11.7082 -7.2004 -7.2002 -5.2275 -5.2186 -4.8037 -4.8022 -4.2725 -4.2634 0.0869 0.0918 2.8503 2.8693 3.4192 3.4557 4.4628 4.4629 5.1057 5.1126 5.8478 5.8563 6.6480 6.6507 6.7620 6.7675 7.0479 7.0525 7.4458 7.4600 7.4783 7.4811 7.9192 7.9234 12.3628 12.3640 12.6201 12.6233 12.9483 12.9510 13.1451 13.1488 13.1763 13.1815 k =-0.1712 0.1596 0.2341 ( 3745 PWs) bands (ev): -30.9069 -30.9069 -30.8352 -30.8352 -12.3279 -12.3247 -12.2145 -12.1888 -11.9929 -11.9847 -11.8973 -11.8761 -11.7898 -11.7753 -11.7123 -11.7097 -7.2357 -7.2355 -5.1858 -5.1770 -4.7950 -4.7937 -4.2600 -4.2514 0.0330 0.0374 2.8733 2.8920 3.3989 3.4346 4.4379 4.4396 5.0875 5.0939 5.8557 5.8642 6.6699 6.6716 6.7505 6.7550 7.0364 7.0408 7.4603 7.4679 7.4856 7.4892 7.9538 7.9586 12.3382 12.3391 12.6343 12.6383 12.9393 12.9440 13.1781 13.1825 13.1851 13.1868 k =-0.1627 0.1516 0.2224 ( 3745 PWs) bands (ev): -30.9081 -30.9081 -30.8340 -30.8340 -12.3278 -12.3248 -12.2093 -12.1839 -11.9902 -11.9825 -11.9015 -11.8804 -11.7880 -11.7737 -11.7139 -11.7111 -7.2700 -7.2698 -5.1444 -5.1357 -4.7860 -4.7848 -4.2482 -4.2401 -0.0199 -0.0160 2.8962 2.9145 3.3801 3.4149 4.4108 4.4141 5.0690 5.0751 5.8551 5.8636 6.6998 6.7006 6.7357 6.7393 7.0320 7.0363 7.4626 7.4651 7.5015 7.5099 7.9878 7.9930 12.3087 12.3092 12.6405 12.6452 12.9231 12.9288 13.2006 13.2083 13.2207 13.2256 k =-0.1541 0.1437 0.2107 ( 3739 PWs) bands (ev): -30.9092 -30.9092 -30.8329 -30.8329 -12.3276 -12.3250 -12.2041 -12.1790 -11.9876 -11.9804 -11.9057 -11.8849 -11.7862 -11.7721 -11.7154 -11.7124 -7.3031 -7.3030 -5.1035 -5.0950 -4.7766 -4.7757 -4.2373 -4.2297 -0.0715 -0.0681 2.9190 2.9371 3.3627 3.3966 4.3821 4.3867 5.0506 5.0562 5.8460 5.8543 6.7162 6.7198 6.7379 6.7387 7.0347 7.0388 7.4615 7.4623 7.5202 7.5299 8.0209 8.0265 12.2732 12.2735 12.6356 12.6406 12.9131 12.9188 13.2349 13.2427 13.2592 13.2645 k =-0.1455 0.1357 0.1990 ( 3745 PWs) bands (ev): -30.9102 -30.9102 -30.8319 -30.8319 -12.3276 -12.3252 -12.1988 -12.1742 -11.9850 -11.9785 -11.9099 -11.8895 -11.7844 -11.7707 -11.7166 -11.7136 -7.3351 -7.3350 -5.0633 -5.0550 -4.7671 -4.7663 -4.2272 -4.2201 -0.1218 -0.1188 2.9419 2.9596 3.3469 3.3797 4.3520 4.3579 5.0323 5.0375 5.8291 5.8370 6.6952 6.6981 6.7822 6.7823 7.0437 7.0475 7.4606 7.4606 7.5385 7.5485 8.0527 8.0585 12.2311 12.2313 12.6194 12.6240 12.9162 12.9210 13.2751 13.2827 13.2970 13.3026 k =-0.1370 0.1277 0.1873 ( 3743 PWs) bands (ev): -30.9113 -30.9113 -30.8309 -30.8309 -12.3275 -12.3254 -12.1935 -12.1693 -11.9824 -11.9768 -11.9139 -11.8942 -11.7826 -11.7694 -11.7176 -11.7146 -7.3658 -7.3657 -5.0240 -5.0158 -4.7573 -4.7567 -4.2180 -4.2114 -0.1706 -0.1680 2.9649 2.9823 3.3326 3.3641 4.3209 4.3280 5.0143 5.0191 5.8053 5.8128 6.6718 6.6742 6.8321 6.8323 7.0580 7.0614 7.4601 7.4605 7.5558 7.5658 8.0830 8.0890 12.1821 12.1821 12.5954 12.5993 12.9319 12.9355 13.3179 13.3252 13.3335 13.3391 k =-0.1284 0.1197 0.1756 ( 3757 PWs) bands (ev): -30.9123 -30.9123 -30.8299 -30.8299 -12.3275 -12.3257 -12.1882 -12.1645 -11.9801 -11.9753 -11.9179 -11.8990 -11.7809 -11.7684 -11.7184 -11.7155 -7.3951 -7.3951 -4.9856 -4.9777 -4.7475 -4.7470 -4.2096 -4.2035 -0.2176 -0.2155 2.9880 3.0050 3.3198 3.3499 4.2894 4.2975 4.9967 5.0012 5.7759 5.7829 6.6472 6.6493 6.8860 6.8863 7.0761 7.0792 7.4610 7.4617 7.5721 7.5818 8.1116 8.1177 12.1265 12.1266 12.5684 12.5716 12.9566 12.9591 13.3613 13.3677 13.3680 13.3732 k =-0.1199 0.1117 0.1639 ( 3753 PWs) bands (ev): -30.9132 -30.9132 -30.8290 -30.8290 -12.3275 -12.3259 -12.1828 -12.1597 -11.9777 -11.9741 -11.9216 -11.9037 -11.7793 -11.7675 -11.7189 -11.7162 -7.4230 -7.4229 -4.9485 -4.9409 -4.7377 -4.7373 -4.2021 -4.1965 -0.2629 -0.2611 3.0111 3.0278 3.3085 3.3370 4.2578 4.2667 4.9796 4.9838 5.7423 5.7487 6.6222 6.6240 6.9423 6.9427 7.0972 7.0999 7.4636 7.4645 7.5873 7.5966 8.1384 8.1445 12.0654 12.0655 12.5418 12.5443 12.9874 12.9888 13.3984 13.4031 13.4044 13.4109 k =-0.1113 0.1038 0.1522 ( 3751 PWs) bands (ev): -30.9141 -30.9141 -30.8281 -30.8281 -12.3275 -12.3261 -12.1775 -12.1550 -11.9756 -11.9733 -11.9250 -11.9083 -11.7778 -11.7669 -11.7191 -11.7167 -7.4493 -7.4492 -4.9128 -4.9054 -4.7280 -4.7277 -4.1953 -4.1902 -0.3061 -0.3046 3.0341 3.0506 3.2988 3.3255 4.2265 4.2360 4.9632 4.9670 5.7056 5.7113 6.5974 6.5990 6.9994 6.9998 7.1201 7.1226 7.4682 7.4691 7.6015 7.6103 8.1633 8.1694 12.0003 12.0004 12.5169 12.5190 13.0221 13.0226 13.4260 13.4297 13.4452 13.4510 k =-0.1027 0.0958 0.1405 ( 3755 PWs) bands (ev): -30.9149 -30.9149 -30.8273 -30.8273 -12.3275 -12.3263 -12.1722 -12.1505 -11.9737 -11.9728 -11.9281 -11.9129 -11.7765 -11.7665 -11.7191 -11.7170 -7.4740 -7.4739 -4.8787 -4.8716 -4.7184 -4.7182 -4.1894 -4.1848 -0.3471 -0.3459 3.0569 3.0731 3.2906 3.3152 4.1958 4.2057 4.9476 4.9510 5.6670 5.6720 6.5734 6.5748 7.0556 7.0558 7.1442 7.1463 7.4752 7.4760 7.6146 7.6229 8.1863 8.1921 11.9328 11.9329 12.4944 12.4961 13.0591 13.0594 13.4494 13.4520 13.4832 13.4883 k =-0.0942 0.0878 0.1288 ( 3755 PWs) bands (ev): -30.9156 -30.9156 -30.8266 -30.8266 -12.3275 -12.3265 -12.1670 -12.1462 -11.9726 -11.9719 -11.9308 -11.9174 -11.7753 -11.7663 -11.7189 -11.7171 -7.4969 -7.4969 -4.8464 -4.8397 -4.7091 -4.7089 -4.1843 -4.1801 -0.3857 -0.3848 3.0792 3.0953 3.2840 3.3063 4.1662 4.1763 4.9328 4.9358 5.6274 5.6318 6.5505 6.5517 7.1090 7.1091 7.1687 7.1706 7.4851 7.4857 7.6269 7.6345 8.2072 8.2129 11.8644 11.8646 12.4743 12.4756 13.0975 13.0986 13.4689 13.4702 13.5174 13.5217 k =-0.0856 0.0798 0.1170 ( 3759 PWs) bands (ev): -30.9163 -30.9163 -30.8259 -30.8259 -12.3275 -12.3267 -12.1620 -12.1421 -11.9727 -11.9704 -11.9331 -11.9216 -11.7743 -11.7662 -11.7185 -11.7170 -7.5182 -7.5182 -4.8161 -4.8098 -4.7001 -4.6998 -4.1798 -4.1761 -0.4218 -0.4211 3.1007 3.1168 3.2789 3.2986 4.1380 4.1481 4.9189 4.9216 5.5878 5.5916 6.5289 6.5299 7.1577 7.1578 7.1933 7.1949 7.4985 7.4988 7.6381 7.6450 8.2262 8.2315 11.7968 11.7969 12.4564 12.4574 13.1371 13.1389 13.4847 13.4849 13.5470 13.5504 k =-0.0771 0.0718 0.1053 ( 3753 PWs) bands (ev): -30.9170 -30.9170 -30.8253 -30.8253 -12.3276 -12.3269 -12.1570 -12.1383 -11.9732 -11.9692 -11.9349 -11.9255 -11.7735 -11.7664 -11.7180 -11.7168 -7.5376 -7.5376 -4.7881 -4.7822 -4.6914 -4.6911 -4.1761 -4.1727 -0.4551 -0.4546 3.1211 3.1373 3.2754 3.2923 4.1115 4.1214 4.9060 4.9084 5.5491 5.5523 6.5089 6.5098 7.1995 7.1998 7.2179 7.2193 7.5158 7.5159 7.6485 7.6546 8.2431 8.2481 11.7312 11.7313 12.4406 12.4414 13.1776 13.1799 13.4966 13.4974 13.5712 13.5737 k =-0.0685 0.0639 0.0936 ( 3745 PWs) bands (ev): -30.9176 -30.9176 -30.8247 -30.8247 -12.3276 -12.3270 -12.1523 -12.1349 -11.9738 -11.9684 -11.9363 -11.9291 -11.7727 -11.7666 -11.7173 -11.7165 -7.5551 -7.5551 -4.7627 -4.7572 -4.6831 -4.6827 -4.1729 -4.1700 -0.4856 -0.4852 3.1400 3.1563 3.2736 3.2873 4.0870 4.0964 4.8943 4.8962 5.5120 5.5147 6.4906 6.4914 7.2317 7.2317 7.2444 7.2451 7.5369 7.5372 7.6579 7.6633 8.2581 8.2627 11.6688 11.6689 12.4266 12.4273 13.2184 13.2212 13.5059 13.5076 13.5896 13.5911 k =-0.0599 0.0559 0.0819 ( 3737 PWs) bands (ev): -30.9181 -30.9181 -30.8242 -30.8242 -12.3276 -12.3272 -12.1477 -12.1318 -11.9746 -11.9680 -11.9374 -11.9322 -11.7721 -11.7669 -11.7166 -11.7161 -7.5707 -7.5707 -4.7400 -4.7350 -4.6752 -4.6748 -4.1703 -4.1678 -0.5129 -0.5126 3.1570 3.1734 3.2734 3.2838 4.0647 4.0736 4.8836 4.8853 5.4773 5.4795 6.4743 6.4749 7.2547 7.2550 7.2708 7.2709 7.5612 7.5618 7.6665 7.6711 8.2711 8.2752 11.6107 11.6108 12.4144 12.4149 13.2592 13.2625 13.5135 13.5157 13.6017 13.6022 k =-0.0514 0.0479 0.0702 ( 3737 PWs) bands (ev): -30.9185 -30.9185 -30.8237 -30.8237 -12.3276 -12.3273 -12.1435 -12.1293 -11.9753 -11.9681 -11.9382 -11.9347 -11.7716 -11.7672 -11.7160 -11.7156 -7.5843 -7.5843 -4.7203 -4.7158 -4.6676 -4.6672 -4.1681 -4.1660 -0.5369 -0.5368 3.1717 3.1879 3.2748 3.2820 4.0450 4.0530 4.8742 4.8755 5.4457 5.4474 6.4599 6.4605 7.2735 7.2739 7.2923 7.2925 7.5873 7.5882 7.6744 7.6780 8.2823 8.2859 11.5581 11.5582 12.4039 12.4043 13.2995 13.3032 13.5196 13.5221 13.6069 13.6073 k =-0.0428 0.0399 0.0585 ( 3739 PWs) bands (ev): -30.9189 -30.9189 -30.8233 -30.8233 -12.3277 -12.3274 -12.1396 -12.1273 -11.9759 -11.9686 -11.9388 -11.9368 -11.7712 -11.7677 -11.7154 -11.7152 -7.5959 -7.5959 -4.7039 -4.7001 -4.6604 -4.6600 -4.1664 -4.1647 -0.5576 -0.5575 3.1839 3.1994 3.2776 3.2818 4.0281 4.0351 4.8661 4.8671 5.4178 5.4191 6.4476 6.4481 7.2894 7.2896 7.3089 7.3091 7.6130 7.6142 7.6816 7.6843 8.2916 8.2947 11.5117 11.5118 12.3951 12.3953 13.3391 13.3431 13.5246 13.5271 13.6055 13.6067 k =-0.0342 0.0319 0.0468 ( 3731 PWs) bands (ev): -30.9192 -30.9192 -30.8230 -30.8230 -12.3277 -12.3275 -12.1359 -12.1258 -11.9763 -11.9695 -11.9393 -11.9382 -11.7708 -11.7680 -11.7148 -11.7147 -7.6054 -7.6054 -4.6910 -4.6879 -4.6536 -4.6533 -4.1651 -4.1637 -0.5746 -0.5746 3.1936 3.2076 3.2812 3.2833 4.0141 4.0199 4.8593 4.8601 5.3941 5.3951 6.4375 6.4379 7.3022 7.3023 7.3214 7.3216 7.6362 7.6376 7.6884 7.6901 8.2993 8.3018 11.4725 11.4726 12.3879 12.3881 13.3776 13.3818 13.5287 13.5311 13.5982 13.6002 k =-0.0257 0.0239 0.0351 ( 3733 PWs) bands (ev): -30.9195 -30.9195 -30.8228 -30.8228 -12.3277 -12.3276 -12.1328 -12.1250 -11.9764 -11.9708 -11.9397 -11.9392 -11.7705 -11.7684 -11.7144 -11.7144 -7.6129 -7.6129 -4.6814 -4.6791 -4.6474 -4.6472 -4.1641 -4.1630 -0.5881 -0.5881 3.2011 3.2125 3.2850 3.2858 4.0032 4.0077 4.8540 4.8546 5.3752 5.3758 6.4296 6.4299 7.3119 7.3120 7.3307 7.3308 7.6547 7.6562 7.6950 7.6958 8.3052 8.3071 11.4412 11.4412 12.3823 12.3824 13.4143 13.4186 13.5319 13.5340 13.5855 13.5881 k =-0.0171 0.0160 0.0234 ( 3735 PWs) bands (ev): -30.9196 -30.9196 -30.8226 -30.8226 -12.3278 -12.3277 -12.1301 -12.1248 -11.9761 -11.9721 -11.9399 -11.9398 -11.7702 -11.7688 -11.7141 -11.7141 -7.6182 -7.6182 -4.6750 -4.6735 -4.6424 -4.6424 -4.1633 -4.1626 -0.5977 -0.5977 3.2067 3.2147 3.2884 3.2885 3.9956 3.9986 4.8502 4.8505 5.3614 5.3618 6.4239 6.4241 7.3186 7.3187 7.3372 7.3372 7.6673 7.6687 7.7014 7.7016 8.3094 8.3107 11.4183 11.4184 12.3783 12.3784 13.4486 13.4528 13.5343 13.5359 13.5684 13.5713 k =-0.0086 0.0080 0.0117 ( 3739 PWs) bands (ev): -30.9197 -30.9197 -30.8225 -30.8225 -12.3278 -12.3277 -12.1279 -12.1252 -11.9756 -11.9735 -11.9401 -11.9401 -11.7699 -11.7692 -11.7139 -11.7139 -7.6214 -7.6214 -4.6712 -4.6704 -4.6392 -4.6392 -4.1628 -4.1625 -0.6036 -0.6036 3.2108 3.2149 3.2906 3.2906 3.9913 3.9928 4.8479 4.8481 5.3530 5.3532 6.4205 6.4206 7.3225 7.3225 7.3411 7.3412 7.6742 7.6751 7.7064 7.7064 8.3121 8.3128 11.4044 11.4045 12.3759 12.3759 13.4789 13.4825 13.5357 13.5370 13.5491 13.5516 k = 0.0000 0.0000 0.0000 ( 3735 PWs) bands (ev): -30.9198 -30.9198 -30.8225 -30.8225 -12.3277 -12.3277 -12.1262 -12.1262 -11.9746 -11.9746 -11.9402 -11.9402 -11.7695 -11.7695 -11.7138 -11.7138 -7.6225 -7.6225 -4.6697 -4.6697 -4.6380 -4.6380 -4.1625 -4.1625 -0.6055 -0.6055 3.2135 3.2135 3.2914 3.2914 3.9904 3.9904 4.8472 4.8472 5.3503 5.3503 6.4194 6.4194 7.3238 7.3238 7.3424 7.3424 7.6767 7.6767 7.7083 7.7083 8.3133 8.3133 11.3998 11.3998 12.3751 12.3751 13.4970 13.4970 13.5355 13.5355 13.5388 13.5388 k = 0.0000 0.0000 0.0000 ( 3735 PWs) bands (ev): -30.9198 -30.9198 -30.8225 -30.8225 -12.3277 -12.3277 -12.1262 -12.1262 -11.9746 -11.9746 -11.9402 -11.9402 -11.7695 -11.7695 -11.7138 -11.7138 -7.6225 -7.6225 -4.6697 -4.6697 -4.6380 -4.6380 -4.1625 -4.1625 -0.6055 -0.6055 3.2135 3.2135 3.2914 3.2914 3.9904 3.9904 4.8472 4.8472 5.3503 5.3503 6.4194 6.4194 7.3238 7.3238 7.3424 7.3424 7.6767 7.6767 7.7083 7.7083 8.3133 8.3133 11.3998 11.3998 12.3751 12.3751 13.4970 13.4970 13.5355 13.5355 13.5388 13.5388 k = 0.0114 0.0122-0.0000 ( 3739 PWs) bands (ev): -30.9197 -30.9197 -30.8225 -30.8225 -12.3277 -12.3277 -12.1265 -12.1265 -11.9747 -11.9747 -11.9401 -11.9401 -11.7695 -11.7695 -11.7138 -11.7138 -7.6216 -7.6216 -4.6698 -4.6698 -4.6382 -4.6382 -4.1646 -4.1646 -0.6034 -0.6034 3.2148 3.2148 3.2927 3.2927 3.9864 3.9864 4.8482 4.8482 5.3535 5.3535 6.4191 6.4191 7.3233 7.3233 7.3418 7.3418 7.6768 7.6768 7.7083 7.7083 8.3090 8.3090 11.4053 11.4053 12.3750 12.3750 13.4954 13.4954 13.5340 13.5340 13.5374 13.5374 k = 0.0227 0.0244-0.0000 ( 3747 PWs) bands (ev): -30.9197 -30.9197 -30.8226 -30.8226 -12.3277 -12.3277 -12.1274 -12.1274 -11.9749 -11.9749 -11.9398 -11.9398 -11.7695 -11.7695 -11.7136 -11.7136 -7.6187 -7.6187 -4.6701 -4.6701 -4.6385 -4.6385 -4.1708 -4.1708 -0.5973 -0.5973 3.2188 3.2188 3.2965 3.2965 3.9746 3.9746 4.8510 4.8510 5.3632 5.3632 6.4178 6.4178 7.3218 7.3218 7.3399 7.3399 7.6771 7.6771 7.7082 7.7082 8.2963 8.2963 11.4216 11.4216 12.3747 12.3747 13.4909 13.4909 13.5295 13.5295 13.5330 13.5330 k = 0.0341 0.0366-0.0000 ( 3747 PWs) bands (ev): -30.9195 -30.9195 -30.8228 -30.8228 -12.3277 -12.3277 -12.1287 -12.1287 -11.9752 -11.9752 -11.9395 -11.9395 -11.7693 -11.7693 -11.7133 -11.7133 -7.6141 -7.6141 -4.6706 -4.6706 -4.6392 -4.6392 -4.1811 -4.1811 -0.5871 -0.5871 3.2253 3.2253 3.3030 3.3030 3.9555 3.9555 4.8559 4.8559 5.3787 5.3787 6.4158 6.4158 7.3193 7.3193 7.3368 7.3368 7.6778 7.6778 7.7081 7.7081 8.2755 8.2755 11.4486 11.4486 12.3741 12.3741 13.4842 13.4842 13.5222 13.5222 13.5258 13.5258 k = 0.0455 0.0488-0.0000 ( 3743 PWs) bands (ev): -30.9193 -30.9193 -30.8230 -30.8230 -12.3277 -12.3277 -12.1305 -12.1305 -11.9756 -11.9756 -11.9389 -11.9389 -11.7690 -11.7690 -11.7129 -11.7129 -7.6075 -7.6075 -4.6713 -4.6713 -4.6400 -4.6400 -4.1953 -4.1953 -0.5729 -0.5729 3.2344 3.2344 3.3119 3.3119 3.9296 3.9296 4.8626 4.8626 5.3995 5.3995 6.4130 6.4130 7.3158 7.3158 7.3324 7.3324 7.6787 7.6787 7.7080 7.7080 8.2472 8.2472 11.4855 11.4855 12.3731 12.3731 13.4764 13.4764 13.5119 13.5119 13.5159 13.5159 k = 0.0568 0.0609-0.0000 ( 3731 PWs) bands (ev): -30.9190 -30.9190 -30.8232 -30.8232 -12.3277 -12.3277 -12.1328 -12.1328 -11.9761 -11.9761 -11.9383 -11.9383 -11.7686 -11.7686 -11.7124 -11.7124 -7.5991 -7.5991 -4.6722 -4.6722 -4.6411 -4.6411 -4.2135 -4.2135 -0.5548 -0.5548 3.2461 3.2461 3.3234 3.3234 3.8976 3.8976 4.8713 4.8713 5.4248 5.4248 6.4093 6.4093 7.3111 7.3111 7.3266 7.3266 7.6801 7.6801 7.7080 7.7080 8.2121 8.2121 11.5319 11.5319 12.3715 12.3715 13.4687 13.4687 13.4989 13.4989 13.5032 13.5032 k = 0.0682 0.0731-0.0000 ( 3731 PWs) bands (ev): -30.9187 -30.9187 -30.8236 -30.8236 -12.3277 -12.3277 -12.1356 -12.1356 -11.9767 -11.9767 -11.9377 -11.9377 -11.7681 -11.7681 -11.7117 -11.7117 -7.5889 -7.5889 -4.6733 -4.6733 -4.6425 -4.6425 -4.2354 -4.2354 -0.5329 -0.5329 3.2603 3.2603 3.3373 3.3373 3.8604 3.8604 4.8819 4.8819 5.4536 5.4536 6.4047 6.4047 7.3051 7.3051 7.3194 7.3194 7.6818 7.6818 7.7083 7.7083 8.1709 8.1709 11.5868 11.5868 12.3690 12.3690 13.4621 13.4621 13.4831 13.4831 13.4879 13.4879 k = 0.0795 0.0853-0.0000 ( 3739 PWs) bands (ev): -30.9183 -30.9183 -30.8240 -30.8240 -12.3278 -12.3278 -12.1387 -12.1387 -11.9774 -11.9774 -11.9371 -11.9371 -11.7675 -11.7675 -11.7110 -11.7110 -7.5768 -7.5768 -4.6746 -4.6746 -4.6440 -4.6440 -4.2608 -4.2608 -0.5075 -0.5075 3.2769 3.2769 3.3537 3.3537 3.8188 3.8188 4.8943 4.8943 5.4851 5.4851 6.3992 6.3992 7.2979 7.2979 7.3109 7.3109 7.6840 7.6840 7.7088 7.7088 8.1246 8.1246 11.6496 11.6496 12.3656 12.3656 13.4571 13.4571 13.4646 13.4646 13.4708 13.4708 k = 0.0909 0.0975-0.0000 ( 3739 PWs) bands (ev): -30.9178 -30.9178 -30.8244 -30.8244 -12.3278 -12.3278 -12.1423 -12.1423 -11.9782 -11.9782 -11.9365 -11.9365 -11.7668 -11.7668 -11.7102 -11.7102 -7.5630 -7.5630 -4.6760 -4.6760 -4.6458 -4.6458 -4.2897 -4.2897 -0.4785 -0.4785 3.2959 3.2959 3.3725 3.3725 3.7734 3.7734 4.9086 4.9086 5.5183 5.5183 6.3927 6.3927 7.2891 7.2891 7.3009 7.3009 7.6869 7.6869 7.7098 7.7098 8.0740 8.0740 11.7193 11.7193 12.3610 12.3610 13.4435 13.4435 13.4460 13.4460 13.4606 13.4606 k = 0.1023 0.1097-0.0000 ( 3739 PWs) bands (ev): -30.9173 -30.9173 -30.8249 -30.8249 -12.3278 -12.3278 -12.1462 -12.1462 -11.9790 -11.9790 -11.9360 -11.9360 -11.7659 -11.7659 -11.7093 -11.7093 -7.5474 -7.5474 -4.6776 -4.6776 -4.6478 -4.6478 -4.3217 -4.3217 -0.4463 -0.4463 3.3173 3.3173 3.3936 3.3936 3.7250 3.7250 4.9248 4.9248 5.5525 5.5525 6.3853 6.3853 7.2789 7.2789 7.2895 7.2895 7.6903 7.6903 7.7113 7.7113 8.0201 8.0201 11.7952 11.7952 12.3551 12.3551 13.4199 13.4199 13.4240 13.4240 13.4629 13.4629 k = 0.1136 0.1219-0.0000 ( 3739 PWs) bands (ev): -30.9167 -30.9167 -30.8255 -30.8255 -12.3279 -12.3279 -12.1503 -12.1503 -11.9799 -11.9798 -11.9357 -11.9357 -11.7648 -11.7648 -11.7083 -11.7083 -7.5301 -7.5301 -4.6794 -4.6794 -4.6500 -4.6500 -4.3568 -4.3568 -0.4109 -0.4109 3.3408 3.3408 3.4169 3.4169 3.6743 3.6743 4.9428 4.9428 5.5869 5.5869 6.3769 6.3769 7.2669 7.2669 7.2767 7.2767 7.6944 7.6944 7.7135 7.7135 7.9637 7.9637 11.8764 11.8764 12.3480 12.3480 13.3940 13.3940 13.3987 13.3987 13.4709 13.4709 k = 0.1250 0.1341-0.0000 ( 3739 PWs) bands (ev): -30.9160 -30.9160 -30.8261 -30.8261 -12.3279 -12.3279 -12.1548 -12.1548 -11.9807 -11.9807 -11.9355 -11.9355 -11.7636 -11.7636 -11.7072 -11.7072 -7.5111 -7.5111 -4.6813 -4.6813 -4.6523 -4.6523 -4.3947 -4.3947 -0.3726 -0.3726 3.3663 3.3663 3.4424 3.4424 3.6218 3.6218 4.9625 4.9625 5.6207 5.6207 6.3675 6.3675 7.2532 7.2532 7.2624 7.2624 7.6992 7.6992 7.7164 7.7164 7.9058 7.9058 11.9622 11.9622 12.3397 12.3397 13.3658 13.3658 13.3709 13.3709 13.4841 13.4841 k = 0.1364 0.1463-0.0000 ( 3739 PWs) bands (ev): -30.9153 -30.9153 -30.8268 -30.8268 -12.3279 -12.3279 -12.1595 -12.1595 -11.9817 -11.9817 -11.9354 -11.9354 -11.7622 -11.7622 -11.7061 -11.7061 -7.4905 -7.4905 -4.6833 -4.6833 -4.6549 -4.6549 -4.4351 -4.4351 -0.3316 -0.3316 3.3933 3.3933 3.4700 3.4700 3.5685 3.5685 4.9840 4.9840 5.6532 5.6532 6.3570 6.3570 7.2375 7.2375 7.2468 7.2468 7.7047 7.7047 7.7201 7.7201 7.8473 7.8473 12.0520 12.0520 12.3302 12.3302 13.3354 13.3354 13.3410 13.3410 13.5026 13.5026 k = 0.1477 0.1585-0.0000 ( 3731 PWs) bands (ev): -30.9146 -30.9146 -30.8276 -30.8276 -12.3279 -12.3279 -12.1643 -12.1643 -11.9826 -11.9826 -11.9355 -11.9355 -11.7606 -11.7606 -11.7049 -11.7049 -7.4682 -7.4682 -4.6855 -4.6855 -4.6575 -4.6575 -4.4780 -4.4780 -0.2879 -0.2879 3.4197 3.4197 3.4983 3.4984 3.5178 3.5178 5.0071 5.0071 5.6838 5.6838 6.3457 6.3457 7.2201 7.2201 7.2298 7.2298 7.7107 7.7107 7.7247 7.7247 7.7890 7.7890 12.1449 12.1449 12.3199 12.3199 13.3032 13.3032 13.3091 13.3091 13.5262 13.5262 k = 0.1591 0.1706-0.0000 ( 3727 PWs) bands (ev): -30.9137 -30.9137 -30.8284 -30.8284 -12.3279 -12.3279 -12.1694 -12.1694 -11.9835 -11.9835 -11.9359 -11.9359 -11.7589 -11.7589 -11.7036 -11.7036 -7.4443 -7.4443 -4.6879 -4.6879 -4.6604 -4.6604 -4.5229 -4.5229 -0.2419 -0.2419 3.4279 3.4279 3.4829 3.4829 3.5321 3.5321 5.0317 5.0317 5.7119 5.7119 6.3334 6.3334 7.2009 7.2009 7.2113 7.2113 7.7136 7.7136 7.7302 7.7302 7.7354 7.7355 12.2405 12.2405 12.3090 12.3090 13.2691 13.2691 13.2754 13.2754 13.5547 13.5547 k = 0.1705 0.1828-0.0000 ( 3735 PWs) bands (ev): -30.9129 -30.9129 -30.8292 -30.8292 -12.3280 -12.3280 -12.1746 -12.1746 -11.9844 -11.9844 -11.9365 -11.9365 -11.7570 -11.7570 -11.7023 -11.7023 -7.4190 -7.4190 -4.6904 -4.6904 -4.6633 -4.6633 -4.5698 -4.5698 -0.1935 -0.1935 3.3861 3.3861 3.5016 3.5016 3.5653 3.5653 5.0578 5.0578 5.7370 5.7370 6.3203 6.3203 7.1800 7.1800 7.1913 7.1913 7.6716 7.6716 7.7289 7.7289 7.7368 7.7368 12.2978 12.2978 12.3380 12.3380 13.2333 13.2333 13.2399 13.2399 13.5879 13.5879 k = 0.1818 0.1950-0.0000 ( 3739 PWs) bands (ev): -30.9120 -30.9120 -30.8301 -30.8301 -12.3280 -12.3280 -12.1799 -12.1799 -11.9853 -11.9853 -11.9373 -11.9373 -11.7549 -11.7549 -11.7011 -11.7011 -7.3921 -7.3921 -4.6933 -4.6933 -4.6664 -4.6664 -4.6181 -4.6181 -0.1432 -0.1432 3.3311 3.3311 3.5346 3.5346 3.6004 3.6004 5.0851 5.0851 5.7585 5.7585 6.3065 6.3065 7.1574 7.1574 7.1698 7.1698 7.6179 7.6179 7.7370 7.7370 7.7443 7.7443 12.2866 12.2866 12.4370 12.4370 13.1960 13.1960 13.2030 13.2030 13.6254 13.6254 k = 0.1932 0.2072-0.0000 ( 3739 PWs) bands (ev): -30.9110 -30.9110 -30.8311 -30.8311 -12.3279 -12.3279 -12.1852 -12.1852 -11.9862 -11.9862 -11.9383 -11.9383 -11.7527 -11.7527 -11.6998 -11.6998 -7.3638 -7.3638 -4.6979 -4.6979 -4.6704 -4.6704 -4.6656 -4.6655 -0.0908 -0.0908 3.2738 3.2738 3.5712 3.5712 3.6372 3.6372 5.1136 5.1136 5.7761 5.7761 6.2921 6.2921 7.1334 7.1334 7.1469 7.1469 7.5661 7.5661 7.7465 7.7465 7.7528 7.7528 12.2757 12.2757 12.5369 12.5370 13.1573 13.1573 13.1647 13.1647 13.6665 13.6665 k = 0.2045 0.2194-0.0000 ( 3727 PWs) bands (ev): -30.9100 -30.9100 -30.8321 -30.8321 -12.3279 -12.3279 -12.1907 -12.1907 -11.9870 -11.9870 -11.9394 -11.9394 -11.7503 -11.7503 -11.6984 -11.6984 -7.3341 -7.3341 -4.7254 -4.7254 -4.6935 -4.6935 -4.6726 -4.6725 -0.0367 -0.0367 3.2158 3.2158 3.6100 3.6100 3.6755 3.6755 5.1431 5.1431 5.7893 5.7893 6.2774 6.2774 7.1080 7.1080 7.1225 7.1225 7.5173 7.5173 7.7569 7.7569 7.7623 7.7623 12.2655 12.2655 12.6372 12.6372 13.1176 13.1176 13.1252 13.1252 13.7109 13.7109 k = 0.2159 0.2316-0.0000 ( 3727 PWs) bands (ev): -30.9089 -30.9089 -30.8331 -30.8331 -12.3278 -12.3278 -12.1961 -12.1961 -11.9878 -11.9878 -11.9408 -11.9408 -11.7478 -11.7478 -11.6971 -11.6971 -7.3030 -7.3030 -4.7764 -4.7764 -4.6982 -4.6982 -4.6759 -4.6759 0.0191 0.0191 3.1574 3.1574 3.6503 3.6503 3.7151 3.7151 5.1733 5.1733 5.7978 5.7978 6.2626 6.2626 7.0812 7.0812 7.0967 7.0967 7.4719 7.4719 7.7680 7.7680 7.7727 7.7727 12.2562 12.2562 12.7374 12.7374 13.0768 13.0768 13.0848 13.0848 13.7578 13.7578 k = 0.2273 0.2438-0.0000 ( 3727 PWs) bands (ev): -30.9077 -30.9077 -30.8342 -30.8342 -12.3277 -12.3277 -12.2016 -12.2016 -11.9887 -11.9886 -11.9424 -11.9423 -11.7451 -11.7451 -11.6958 -11.6958 -7.2706 -7.2706 -4.8302 -4.8302 -4.7012 -4.7012 -4.6792 -4.6792 0.0763 0.0763 3.0989 3.0989 3.6921 3.6921 3.7559 3.7559 5.2039 5.2039 5.8016 5.8016 6.2480 6.2480 7.0533 7.0533 7.0696 7.0696 7.4301 7.4301 7.7799 7.7799 7.7840 7.7840 12.2481 12.2481 12.8367 12.8367 13.0353 13.0353 13.0435 13.0435 13.8066 13.8066 k = 0.2386 0.2560-0.0000 ( 3727 PWs) bands (ev): -30.9066 -30.9066 -30.8354 -30.8354 -12.3276 -12.3276 -12.2071 -12.2071 -11.9894 -11.9894 -11.9440 -11.9440 -11.7424 -11.7424 -11.6945 -11.6945 -7.2370 -7.2370 -4.8852 -4.8852 -4.7040 -4.7040 -4.6825 -4.6825 0.1350 0.1350 3.0403 3.0403 3.7351 3.7351 3.7978 3.7978 5.2345 5.2345 5.8005 5.8005 6.2340 6.2340 7.0242 7.0242 7.0413 7.0413 7.3922 7.3922 7.7924 7.7924 7.7960 7.7960 12.2414 12.2414 12.9346 12.9346 12.9932 12.9932 13.0017 13.0017 13.8245 13.8247 k = 0.2500 0.2682-0.0000 ( 3735 PWs) bands (ev): -30.9054 -30.9054 -30.8366 -30.8366 -12.3275 -12.3275 -12.2125 -12.2125 -11.9902 -11.9902 -11.9459 -11.9459 -11.7396 -11.7396 -11.6932 -11.6932 -7.2021 -7.2021 -4.9412 -4.9412 -4.7066 -4.7066 -4.6859 -4.6859 0.1949 0.1949 2.9818 2.9818 3.7790 3.7790 3.8406 3.8406 5.2649 5.2649 5.7946 5.7946 6.2210 6.2210 6.9942 6.9942 7.0119 7.0119 7.3579 7.3579 7.8055 7.8055 7.8089 7.8089 12.2361 12.2361 12.9503 12.9503 12.9590 12.9590 13.0311 13.0311 13.7815 13.7815 k = 0.2614 0.2803-0.0000 ( 3743 PWs) bands (ev): -30.9041 -30.9041 -30.8378 -30.8378 -12.3274 -12.3274 -12.2180 -12.2180 -11.9909 -11.9909 -11.9478 -11.9478 -11.7368 -11.7368 -11.6920 -11.6920 -7.1660 -7.1660 -4.9978 -4.9978 -4.7092 -4.7092 -4.6892 -4.6892 0.2560 0.2560 2.9233 2.9233 3.8239 3.8239 3.8841 3.8841 5.2945 5.2945 5.7842 5.7842 6.2096 6.2096 6.9633 6.9633 6.9815 6.9815 7.3273 7.3273 7.8192 7.8192 7.8224 7.8224 12.2326 12.2326 12.9075 12.9075 12.9164 12.9164 13.1234 13.1234 13.7391 13.7391 k = 0.2727 0.2925-0.0000 ( 3727 PWs) bands (ev): -30.9028 -30.9028 -30.8391 -30.8391 -12.3271 -12.3271 -12.2233 -12.2233 -11.9914 -11.9914 -11.9498 -11.9498 -11.7338 -11.7338 -11.6908 -11.6908 -7.1288 -7.1288 -5.0551 -5.0551 -4.7117 -4.7117 -4.6925 -4.6925 0.3182 0.3182 2.8650 2.8650 3.8693 3.8693 3.9281 3.9281 5.3227 5.3227 5.7697 5.7697 6.2004 6.2004 6.9317 6.9317 6.9503 6.9503 7.2999 7.2999 7.8334 7.8334 7.8364 7.8364 12.2309 12.2309 12.8646 12.8646 12.8736 12.8736 13.2106 13.2106 13.6991 13.6991 k = 0.2841 0.3047-0.0000 ( 3727 PWs) bands (ev): -30.9014 -30.9014 -30.8404 -30.8404 -12.3269 -12.3269 -12.2286 -12.2286 -11.9920 -11.9920 -11.9519 -11.9519 -11.7309 -11.7309 -11.6897 -11.6897 -7.0906 -7.0906 -5.1129 -5.1129 -4.7141 -4.7141 -4.6958 -4.6958 0.3813 0.3813 2.8066 2.8066 3.9152 3.9152 3.9725 3.9725 5.3491 5.3491 5.7514 5.7514 6.1940 6.1940 6.8995 6.8995 6.9185 6.9185 7.2754 7.2754 7.8480 7.8480 7.8510 7.8510 12.2311 12.2311 12.8218 12.8218 12.8310 12.8310 13.2886 13.2886 13.6652 13.6652 k = 0.2955 0.3169-0.0000 ( 3719 PWs) bands (ev): -30.9000 -30.9000 -30.8418 -30.8418 -12.3265 -12.3265 -12.2337 -12.2337 -11.9925 -11.9925 -11.9540 -11.9540 -11.7279 -11.7279 -11.6886 -11.6886 -7.0512 -7.0512 -5.1710 -5.1710 -4.7165 -4.7165 -4.6990 -4.6990 0.4452 0.4452 2.7483 2.7483 3.9614 3.9614 4.0171 4.0171 5.3729 5.3729 5.7300 5.7300 6.1910 6.1910 6.8669 6.8669 6.8860 6.8860 7.2534 7.2534 7.8630 7.8630 7.8659 7.8659 12.2332 12.2332 12.7794 12.7794 12.7886 12.7886 13.3488 13.3488 13.6457 13.6457 k = 0.3068 0.3291-0.0000 ( 3702 PWs) bands (ev): -30.8986 -30.8986 -30.8432 -30.8432 -12.3261 -12.3261 -12.2388 -12.2388 -11.9928 -11.9928 -11.9562 -11.9562 -11.7249 -11.7249 -11.6876 -11.6876 -7.0109 -7.0109 -5.2294 -5.2294 -4.7187 -4.7187 -4.7022 -4.7022 0.5099 0.5099 2.6900 2.6900 4.0077 4.0077 4.0616 4.0616 5.3937 5.3937 5.7062 5.7062 6.1922 6.1922 6.8340 6.8340 6.8532 6.8532 7.2331 7.2331 7.8782 7.8782 7.8810 7.8810 12.2373 12.2373 12.7375 12.7375 12.7468 12.7468 13.3774 13.3774 13.6544 13.6544 k = 0.3182 0.3413-0.0000 ( 3694 PWs) bands (ev): -30.8971 -30.8971 -30.8446 -30.8446 -12.3257 -12.3257 -12.2438 -12.2438 -11.9932 -11.9932 -11.9584 -11.9584 -11.7220 -11.7220 -11.6866 -11.6866 -6.9695 -6.9695 -5.2880 -5.2880 -4.7209 -4.7209 -4.7052 -4.7052 0.5753 0.5753 2.6317 2.6317 4.0537 4.0537 4.1058 4.1058 5.4109 5.4109 5.6804 5.6804 6.1980 6.1980 6.8010 6.8010 6.8202 6.8202 7.2141 7.2141 7.8936 7.8936 7.8963 7.8963 12.2435 12.2435 12.6964 12.6964 12.7056 12.7056 13.3699 13.3699 13.6957 13.6957 k = 0.3295 0.3535-0.0000 ( 3718 PWs) bands (ev): -30.8957 -30.8957 -30.8461 -30.8461 -12.3252 -12.3252 -12.2487 -12.2487 -11.9936 -11.9936 -11.9606 -11.9606 -11.7192 -11.7192 -11.6859 -11.6859 -6.9272 -6.9272 -5.3466 -5.3466 -4.7230 -4.7230 -4.7082 -4.7082 0.6413 0.6413 2.5732 2.5732 4.0994 4.0994 4.1495 4.1495 5.4241 5.4241 5.6533 5.6533 6.2089 6.2089 6.7681 6.7681 6.7872 6.7872 7.1958 7.1958 7.9090 7.9090 7.9116 7.9116 12.2516 12.2516 12.6561 12.6561 12.6652 12.6652 13.3389 13.3389 13.7569 13.7569 k = 0.3409 0.3657-0.0000 ( 3726 PWs) bands (ev): -30.8942 -30.8942 -30.8476 -30.8476 -12.3246 -12.3246 -12.2535 -12.2535 -11.9938 -11.9938 -11.9628 -11.9628 -11.7164 -11.7164 -11.6852 -11.6852 -6.8841 -6.8841 -5.4053 -5.4053 -4.7249 -4.7249 -4.7111 -4.7111 0.7078 0.7078 2.5145 2.5145 4.1444 4.1444 4.1923 4.1923 5.4332 5.4332 5.6255 5.6255 6.2251 6.2251 6.7355 6.7355 6.7543 6.7543 7.1776 7.1776 7.9243 7.9243 7.9268 7.9268 12.2618 12.2618 12.6171 12.6171 12.6260 12.6260 13.2966 13.2966 13.8261 13.8261 k = 0.3523 0.3779-0.0000 ( 3726 PWs) bands (ev): -30.8926 -30.8926 -30.8491 -30.8491 -12.3239 -12.3239 -12.2581 -12.2581 -11.9939 -11.9939 -11.9650 -11.9650 -11.7136 -11.7136 -11.6845 -11.6845 -6.8400 -6.8400 -5.4639 -5.4639 -4.7268 -4.7268 -4.7139 -4.7139 0.7747 0.7747 2.4557 2.4557 4.1885 4.1885 4.2342 4.2342 5.4384 5.4384 5.5976 5.5976 6.2466 6.2466 6.7034 6.7034 6.7218 6.7218 7.1592 7.1592 7.9394 7.9394 7.9417 7.9417 12.2741 12.2741 12.5794 12.5794 12.5881 12.5881 13.2489 13.2489 13.8975 13.8976 k = 0.3636 0.3900-0.0000 ( 3734 PWs) bands (ev): -30.8910 -30.8910 -30.8507 -30.8507 -12.3232 -12.3232 -12.2626 -12.2626 -11.9940 -11.9940 -11.9672 -11.9672 -11.7110 -11.7110 -11.6840 -11.6840 -6.7951 -6.7951 -5.5224 -5.5224 -4.7284 -4.7284 -4.7165 -4.7165 0.8420 0.8420 2.3966 2.3966 4.2314 4.2314 4.2746 4.2746 5.4401 5.4401 5.5702 5.5702 6.2729 6.2729 6.6721 6.6721 6.6900 6.6900 7.1399 7.1399 7.9542 7.9542 7.9563 7.9563 12.2884 12.2884 12.5434 12.5434 12.5518 12.5518 13.1983 13.1983 13.9687 13.9687 k = 0.3750 0.4022-0.0000 ( 3734 PWs) bands (ev): -30.8894 -30.8894 -30.8523 -30.8523 -12.3223 -12.3223 -12.2670 -12.2670 -11.9939 -11.9939 -11.9693 -11.9693 -11.7084 -11.7084 -11.6836 -11.6836 -6.7493 -6.7493 -5.5808 -5.5808 -4.7300 -4.7300 -4.7190 -4.7190 0.9095 0.9095 2.3371 2.3371 4.2728 4.2728 4.3135 4.3135 5.4385 5.4385 5.5435 5.5435 6.3037 6.3037 6.6418 6.6418 6.6590 6.6590 7.1195 7.1195 7.9685 7.9685 7.9705 7.9705 12.3048 12.3048 12.5093 12.5093 12.5172 12.5172 13.1464 13.1464 14.0383 14.0383 k = 0.3864 0.4144-0.0000 ( 3734 PWs) bands (ev): -30.8878 -30.8878 -30.8539 -30.8539 -12.3213 -12.3213 -12.2712 -12.2712 -11.9938 -11.9938 -11.9713 -11.9713 -11.7059 -11.7059 -11.6833 -11.6833 -6.7028 -6.7028 -5.6389 -5.6389 -4.7314 -4.7314 -4.7214 -4.7214 0.9772 0.9772 2.2772 2.2772 4.3125 4.3125 4.3503 4.3503 5.4345 5.4345 5.5182 5.5182 6.3383 6.3383 6.6128 6.6128 6.6292 6.6292 7.0977 7.0977 7.9822 7.9822 7.9840 7.9840 12.3232 12.3232 12.4772 12.4772 12.4847 12.4847 13.0940 13.0940 14.1060 14.1060 k = 0.3977 0.4266-0.0000 ( 3746 PWs) bands (ev): -30.8862 -30.8862 -30.8555 -30.8555 -12.3203 -12.3203 -12.2752 -12.2752 -11.9936 -11.9936 -11.9733 -11.9733 -11.7035 -11.7035 -11.6832 -11.6832 -6.6555 -6.6555 -5.6967 -5.6967 -4.7326 -4.7326 -4.7236 -4.7236 1.0451 1.0451 2.2169 2.2169 4.3500 4.3500 4.3849 4.3849 5.4287 5.4287 5.4944 5.4944 6.3762 6.3762 6.5854 6.5854 6.6008 6.6008 7.0741 7.0741 7.9951 7.9951 7.9967 7.9967 12.3437 12.3437 12.4474 12.4474 12.4544 12.4544 13.0416 13.0416 14.1714 14.1714 k = 0.4091 0.4388-0.0000 ( 3754 PWs) bands (ev): -30.8845 -30.8845 -30.8572 -30.8572 -12.3190 -12.3190 -12.2791 -12.2791 -11.9933 -11.9933 -11.9752 -11.9752 -11.7013 -11.7013 -11.6831 -11.6831 -6.6075 -6.6075 -5.7542 -5.7542 -4.7337 -4.7337 -4.7257 -4.7257 1.1129 1.1129 2.1560 2.1560 4.3851 4.3851 4.4168 4.4168 5.4216 5.4216 5.4725 5.4725 6.4166 6.4166 6.5600 6.5600 6.5741 6.5741 7.0486 7.0486 8.0071 8.0071 8.0085 8.0085 12.3662 12.3662 12.4200 12.4200 12.4264 12.4264 12.9897 12.9897 14.2344 14.2344 k = 0.4205 0.4510-0.0000 ( 3754 PWs) bands (ev): -30.8828 -30.8828 -30.8588 -30.8588 -12.3177 -12.3177 -12.2828 -12.2828 -11.9929 -11.9929 -11.9770 -11.9770 -11.6991 -11.6991 -11.6832 -11.6832 -6.5587 -6.5587 -5.8113 -5.8113 -4.7346 -4.7346 -4.7276 -4.7276 1.1808 1.1808 2.0947 2.0947 4.4174 4.4174 4.4458 4.4458 5.4140 5.4140 5.4527 5.4527 6.4586 6.4586 6.5369 6.5369 6.5495 6.5495 7.0210 7.0210 8.0181 8.0181 8.0193 8.0193 12.3907 12.3907 12.3955 12.3955 12.4012 12.4012 12.9385 12.9385 14.2952 14.2952 k = 0.4318 0.4632-0.0000 ( 3754 PWs) bands (ev): -30.8811 -30.8811 -30.8605 -30.8605 -12.3162 -12.3162 -12.2864 -12.2864 -11.9924 -11.9924 -11.9788 -11.9787 -11.6971 -11.6971 -11.6835 -11.6835 -6.5092 -6.5092 -5.8681 -5.8681 -4.7353 -4.7353 -4.7293 -4.7293 1.2485 1.2485 2.0328 2.0328 4.4466 4.4466 4.4714 4.4714 5.4063 5.4063 5.4353 5.4353 6.4991 6.4991 6.5189 6.5189 6.5276 6.5276 6.9913 6.9913 8.0279 8.0279 8.0290 8.0290 12.3738 12.3738 12.3789 12.3789 12.4173 12.4173 12.8883 12.8883 14.3537 14.3537 k = 0.4432 0.4754-0.0000 ( 3762 PWs) bands (ev): -30.8794 -30.8794 -30.8622 -30.8622 -12.3146 -12.3146 -12.2898 -12.2898 -11.9918 -11.9918 -11.9804 -11.9804 -11.6952 -11.6952 -11.6838 -11.6838 -6.4591 -6.4591 -5.9244 -5.9244 -4.7359 -4.7359 -4.7308 -4.7308 1.3161 1.3161 1.9703 1.9703 4.4724 4.4724 4.4934 4.4934 5.3990 5.3990 5.4202 5.4202 6.4959 6.4959 6.5069 6.5069 6.5497 6.5497 6.9594 6.9594 8.0364 8.0364 8.0373 8.0373 12.3552 12.3552 12.3595 12.3595 12.4459 12.4459 12.8394 12.8394 14.4100 14.4100 k = 0.4545 0.4876-0.0000 ( 3754 PWs) bands (ev): -30.8777 -30.8777 -30.8639 -30.8639 -12.3128 -12.3128 -12.2930 -12.2930 -11.9911 -11.9911 -11.9820 -11.9820 -11.6934 -11.6934 -11.6843 -11.6843 -6.4083 -6.4083 -5.9803 -5.9803 -4.7362 -4.7362 -4.7322 -4.7322 1.3834 1.3834 1.9072 1.9072 4.4944 4.4944 4.5115 4.5115 5.3926 5.3926 5.4077 5.4077 6.4815 6.4815 6.4902 6.4902 6.5941 6.5941 6.9254 6.9254 8.0436 8.0436 8.0443 8.0443 12.3399 12.3399 12.3434 12.3434 12.4765 12.4765 12.7920 12.7920 14.4644 14.4644 k = 0.4659 0.4997-0.0000 ( 3778 PWs) bands (ev): -30.8760 -30.8760 -30.8657 -30.8657 -12.3110 -12.3110 -12.2961 -12.2961 -11.9904 -11.9904 -11.9835 -11.9835 -11.6918 -11.6918 -11.6850 -11.6850 -6.3568 -6.3568 -6.0357 -6.0357 -4.7364 -4.7364 -4.7334 -4.7334 1.4505 1.4505 1.8436 1.8436 4.5123 4.5123 4.5253 4.5253 5.3875 5.3875 5.3976 5.3976 6.4699 6.4699 6.4765 6.4765 6.6389 6.6389 6.8894 6.8894 8.0493 8.0493 8.0498 8.0498 12.3279 12.3279 12.3306 12.3306 12.5091 12.5091 12.7461 12.7461 14.5168 14.5168 k = 0.4773 0.5119-0.0000 ( 3774 PWs) bands (ev): -30.8743 -30.8743 -30.8674 -30.8674 -12.3089 -12.3089 -12.2990 -12.2990 -11.9894 -11.9894 -11.9849 -11.9849 -11.6903 -11.6903 -11.6858 -11.6858 -6.3048 -6.3048 -6.0906 -6.0906 -4.7364 -4.7364 -4.7343 -4.7343 1.5171 1.5171 1.7794 1.7794 4.5260 4.5260 4.5347 4.5347 5.3839 5.3839 5.3902 5.3902 6.4618 6.4618 6.4662 6.4662 6.6835 6.6835 6.8513 6.8513 8.0534 8.0534 8.0538 8.0538 12.3194 12.3194 12.3212 12.3212 12.5438 12.5438 12.7019 12.7019 14.5673 14.5673 k = 0.4886 0.5241-0.0000 ( 3774 PWs) bands (ev): -30.8726 -30.8726 -30.8691 -30.8691 -12.3066 -12.3066 -12.3017 -12.3017 -11.9884 -11.9884 -11.9862 -11.9862 -11.6890 -11.6890 -11.6867 -11.6867 -6.2521 -6.2521 -6.1450 -6.1450 -4.7361 -4.7361 -4.7351 -4.7351 1.5834 1.5834 1.7146 1.7146 4.5352 4.5352 4.5396 4.5396 5.3822 5.3822 5.3852 5.3852 6.4573 6.4573 6.4595 6.4595 6.7273 6.7273 6.8115 6.8115 8.0560 8.0560 8.0562 8.0562 12.3145 12.3145 12.3154 12.3154 12.5804 12.5804 12.6595 12.6595 14.6156 14.6156 k = 0.5000 0.5363-0.0000 ( 3758 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3042 -12.3042 -12.3042 -12.3042 -11.9873 -11.9873 -11.9873 -11.9873 -11.6877 -11.6877 -11.6877 -11.6877 -6.1988 -6.1988 -6.1988 -6.1988 -4.7357 -4.7357 -4.7357 -4.7357 1.6492 1.6492 1.6492 1.6492 4.5397 4.5397 4.5397 4.5397 5.3826 5.3826 5.3826 5.3826 6.4566 6.4566 6.4566 6.4566 6.7701 6.7701 6.7701 6.7701 8.0569 8.0569 8.0569 8.0569 12.3132 12.3132 12.3132 12.3132 12.6190 12.6190 12.6190 12.6190 14.6603 14.6603 k = 0.5000 0.5363-0.0000 ( 3758 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3042 -12.3042 -12.3042 -12.3042 -11.9873 -11.9873 -11.9873 -11.9873 -11.6877 -11.6877 -11.6877 -11.6877 -6.1988 -6.1988 -6.1988 -6.1988 -4.7357 -4.7357 -4.7357 -4.7357 1.6492 1.6492 1.6492 1.6492 4.5397 4.5397 4.5397 4.5397 5.3826 5.3826 5.3826 5.3826 6.4566 6.4566 6.4566 6.4566 6.7701 6.7701 6.7701 6.7701 8.0569 8.0569 8.0569 8.0569 12.3132 12.3132 12.3132 12.3132 12.6190 12.6190 12.6190 12.6190 14.6603 14.6603 k = 0.4918 0.5439 0.0112 ( 3778 PWs) bands (ev): -30.8709 -30.8709 -30.8708 -30.8708 -12.3064 -12.3060 -12.3025 -12.3021 -11.9914 -11.9913 -11.9833 -11.9832 -11.6901 -11.6897 -11.6860 -11.6856 -6.1998 -6.1995 -6.1983 -6.1979 -4.7364 -4.7362 -4.7357 -4.7348 1.6471 1.6484 1.6508 1.6516 4.5328 4.5385 4.5386 4.5408 5.3812 5.3825 5.3855 5.3900 6.4457 6.4517 6.4573 6.4575 6.7703 6.7718 6.7757 6.7801 8.0549 8.0550 8.0563 8.0564 12.3125 12.3131 12.3137 12.3138 12.6196 12.6198 12.6207 12.6207 14.6570 14.6594 k = 0.4837 0.5515 0.0223 ( 3770 PWs) bands (ev): -30.8710 -30.8710 -30.8707 -30.8707 -12.3085 -12.3078 -12.3008 -12.2998 -11.9952 -11.9950 -11.9791 -11.9788 -11.6926 -11.6917 -11.6843 -11.6835 -6.2023 -6.2017 -6.1963 -6.1955 -4.7379 -4.7375 -4.7348 -4.7329 1.6421 1.6449 1.6560 1.6576 4.5206 4.5349 4.5351 4.5368 5.3784 5.3809 5.3987 5.4074 6.4223 6.4333 6.4592 6.4595 6.7728 6.7756 6.7952 6.8028 8.0491 8.0492 8.0546 8.0547 12.3113 12.3127 12.3154 12.3155 12.6216 12.6222 12.6256 12.6257 14.6475 14.6540 k = 0.4755 0.5592 0.0335 ( 3768 PWs) bands (ev): -30.8711 -30.8711 -30.8706 -30.8706 -12.3106 -12.3095 -12.2991 -12.2975 -11.9987 -11.9986 -11.9748 -11.9743 -11.6952 -11.6939 -11.6829 -11.6817 -6.2063 -6.2055 -6.1928 -6.1916 -4.7405 -4.7398 -4.7330 -4.7302 1.6343 1.6385 1.6649 1.6673 4.5038 4.5256 4.5296 4.5309 5.3741 5.3780 5.4217 5.4340 6.3903 6.4048 6.4623 6.4627 6.7774 6.7816 6.8248 6.8341 8.0394 8.0395 8.0517 8.0520 12.3096 12.3117 12.3182 12.3184 12.6250 12.6259 12.6338 12.6339 14.6304 14.6392 k = 0.4673 0.5668 0.0447 ( 3760 PWs) bands (ev): -30.8713 -30.8713 -30.8703 -30.8703 -12.3125 -12.3112 -12.2975 -12.2952 -12.0021 -12.0020 -11.9703 -11.9696 -11.6980 -11.6963 -11.6815 -11.6800 -6.2120 -6.2109 -6.1878 -6.1863 -4.7439 -4.7430 -4.7303 -4.7266 1.6237 1.6292 1.6774 1.6806 4.4833 4.5112 4.5223 4.5239 5.3685 5.3736 5.4534 5.4686 6.3532 6.3702 6.4666 6.4671 6.7840 6.7895 6.8606 6.8708 8.0260 8.0261 8.0478 8.0481 12.3076 12.3104 12.3220 12.3223 12.6297 12.6308 12.6451 12.6452 14.5996 14.6047 k = 0.4592 0.5744 0.0558 ( 3755 PWs) bands (ev): -30.8716 -30.8716 -30.8700 -30.8700 -12.3144 -12.3130 -12.2958 -12.2928 -12.0053 -12.0052 -11.9658 -11.9647 -11.7010 -11.6987 -11.6803 -11.6785 -6.2192 -6.2179 -6.1814 -6.1795 -4.7481 -4.7471 -4.7267 -4.7220 1.6104 1.6171 1.6934 1.6974 4.4599 4.4929 4.5134 4.5155 5.3617 5.3680 5.4928 5.5102 6.3131 6.3320 6.4720 6.4727 6.7925 6.7993 6.9000 6.9104 8.0089 8.0091 8.0426 8.0431 12.3053 12.3087 12.3269 12.3273 12.6354 12.6367 12.6593 12.6595 14.5536 14.5567 k = 0.4510 0.5820 0.0670 ( 3755 PWs) bands (ev): -30.8720 -30.8720 -30.8697 -30.8697 -12.3162 -12.3147 -12.2943 -12.2905 -12.0083 -12.0082 -11.9612 -11.9598 -11.7040 -11.7013 -11.6793 -11.6772 -6.2280 -6.2265 -6.1735 -6.1712 -4.7532 -4.7519 -4.7222 -4.7166 1.5942 1.6022 1.7128 1.7176 4.4345 4.4716 4.5032 4.5060 5.3536 5.3612 5.5387 5.5577 6.2716 6.2920 6.4784 6.4793 6.8028 6.8108 6.9414 6.9517 7.9884 7.9886 8.0363 8.0369 12.3029 12.3069 12.3328 12.3331 12.6420 12.6435 12.6763 12.6764 14.4959 14.4977 k = 0.4428 0.5896 0.0782 ( 3753 PWs) bands (ev): -30.8724 -30.8724 -30.8693 -30.8693 -12.3180 -12.3164 -12.2927 -12.2882 -12.0111 -12.0109 -11.9565 -11.9548 -11.7073 -11.7040 -11.6784 -11.6760 -6.2384 -6.2367 -6.1641 -6.1615 -4.7589 -4.7574 -4.7168 -4.7104 1.5753 1.5844 1.7356 1.7411 4.4077 4.4480 4.4922 4.4958 5.3444 5.3532 5.5902 5.6101 6.2295 6.2510 6.4858 6.4869 6.8147 6.8240 6.9836 6.9936 7.9646 7.9647 8.0289 8.0295 12.3006 12.3052 12.3395 12.3398 12.6492 12.6508 12.6957 12.6959 14.4311 14.4321 k = 0.4347 0.5972 0.0893 ( 3749 PWs) bands (ev): -30.8728 -30.8728 -30.8688 -30.8688 -12.3196 -12.3180 -12.2913 -12.2858 -12.0137 -12.0133 -11.9518 -11.9496 -11.7106 -11.7069 -11.6776 -11.6750 -6.2504 -6.2485 -6.1533 -6.1503 -4.7652 -4.7635 -4.7106 -4.7033 1.5538 1.5639 1.7614 1.7678 4.3798 4.4225 4.4808 4.4855 5.3344 5.3443 5.6463 5.6667 6.1873 6.2098 6.4940 6.4953 6.8281 6.8385 7.0261 7.0357 7.9376 7.9377 8.0202 8.0209 12.2984 12.3036 12.3470 12.3473 12.6569 12.6586 12.7172 12.7174 14.3622 14.3629 k = 0.4265 0.6048 0.1005 ( 3749 PWs) bands (ev): -30.8734 -30.8734 -30.8683 -30.8683 -12.3211 -12.3196 -12.2898 -12.2834 -12.0162 -12.0155 -11.9471 -11.9444 -11.7141 -11.7098 -11.6770 -11.6742 -6.2640 -6.2620 -6.1411 -6.1377 -4.7720 -4.7700 -4.7034 -4.6954 1.5295 1.5406 1.7901 1.7973 4.3510 4.3955 4.4695 4.4755 5.3235 5.3345 5.7061 5.7268 6.1456 6.1688 6.5029 6.5045 6.8428 6.8542 7.0683 7.0774 7.9077 7.9078 8.0102 8.0110 12.2966 12.3022 12.3551 12.3554 12.6647 12.6666 12.7405 12.7406 14.2914 14.2921 k = 0.4183 0.6125 0.1117 ( 3745 PWs) bands (ev): -30.8740 -30.8740 -30.8677 -30.8677 -12.3225 -12.3211 -12.2884 -12.2811 -12.0184 -12.0175 -11.9423 -11.9392 -11.7177 -11.7129 -11.6766 -11.6735 -6.2792 -6.2771 -6.1275 -6.1237 -4.7792 -4.7770 -4.6954 -4.6867 1.5027 1.5146 1.8216 1.8296 4.3216 4.3672 4.4589 4.4663 5.3120 5.3241 5.7690 5.7896 6.1045 6.1284 6.5125 6.5144 6.8586 6.8710 7.1098 7.1184 7.8752 7.8752 7.9990 7.9999 12.2951 12.3013 12.3639 12.3642 12.6725 12.6744 12.7649 12.7650 14.2203 14.2211 k = 0.4102 0.6201 0.1228 ( 3741 PWs) bands (ev): -30.8746 -30.8746 -30.8671 -30.8671 -12.3237 -12.3225 -12.2870 -12.2787 -12.0204 -12.0192 -11.9376 -11.9339 -11.7214 -11.7161 -11.6763 -11.6730 -6.2960 -6.2938 -6.1124 -6.1083 -4.7866 -4.7842 -4.6866 -4.6772 1.4734 1.4859 1.8556 1.8643 4.2914 4.3376 4.4492 4.4582 5.3001 5.3132 5.8345 5.8548 6.0644 6.0888 6.5224 6.5247 6.8752 6.8885 7.1503 7.1584 7.8403 7.8404 7.9865 7.9874 12.2942 12.3008 12.3732 12.3734 12.6801 12.6819 12.7899 12.7900 14.1502 14.1511 k = 0.4020 0.6277 0.1340 ( 3737 PWs) bands (ev): -30.8753 -30.8753 -30.8664 -30.8664 -12.3248 -12.3239 -12.2857 -12.2764 -12.0221 -12.0207 -11.9328 -11.9286 -11.7252 -11.7193 -11.6761 -11.6727 -6.3145 -6.3122 -6.0959 -6.0915 -4.7941 -4.7915 -4.6770 -4.6669 1.4416 1.4548 1.8918 1.9013 4.2606 4.3070 4.4411 4.4517 5.2880 5.3021 5.9019 5.9216 6.0257 6.0502 6.5327 6.5353 6.8925 6.9067 7.1896 7.1972 7.8033 7.8035 7.9727 7.9737 12.2939 12.3009 12.3829 12.3829 12.6870 12.6888 12.8149 12.8149 14.0819 14.0831 k = 0.3938 0.6353 0.1452 ( 3733 PWs) bands (ev): -30.8761 -30.8761 -30.8656 -30.8656 -12.3258 -12.3251 -12.2844 -12.2740 -12.0237 -12.0219 -11.9281 -11.9234 -11.7291 -11.7227 -11.6760 -11.6725 -6.3345 -6.3322 -6.0781 -6.0733 -4.8017 -4.7989 -4.6665 -4.6559 1.4075 1.4211 1.9300 1.9403 4.2290 4.2753 4.4348 4.4470 5.2758 5.2908 5.9708 5.9802 5.9978 6.0129 6.5433 6.5463 6.9102 6.9251 7.2275 7.2346 7.7646 7.7650 7.9576 7.9587 12.2943 12.3016 12.3928 12.3929 12.6932 12.6949 12.8390 12.8391 14.0163 14.0179 k = 0.3938 0.6353 0.1452 ( 3733 PWs) bands (ev): -30.8761 -30.8761 -30.8656 -30.8656 -12.3258 -12.3251 -12.2844 -12.2740 -12.0237 -12.0219 -11.9281 -11.9234 -11.7291 -11.7227 -11.6760 -11.6725 -6.3345 -6.3322 -6.0781 -6.0733 -4.8017 -4.7989 -4.6665 -4.6559 1.4075 1.4211 1.9300 1.9403 4.2290 4.2753 4.4348 4.4470 5.2758 5.2908 5.9708 5.9802 5.9978 6.0129 6.5433 6.5463 6.9102 6.9251 7.2275 7.2346 7.7646 7.7650 7.9576 7.9587 12.2943 12.3016 12.3928 12.3929 12.6932 12.6949 12.8390 12.8391 14.0163 14.0179 k = 0.3797 0.6305 0.1522 ( 3735 PWs) bands (ev): -30.8767 -30.8767 -30.8650 -30.8650 -12.3265 -12.3257 -12.2835 -12.2725 -12.0245 -12.0225 -11.9251 -11.9200 -11.7317 -11.7249 -11.6761 -11.6726 -6.3519 -6.3495 -6.0621 -6.0571 -4.8064 -4.8034 -4.6594 -4.6483 1.3804 1.3942 1.9592 1.9701 4.2079 4.2539 4.4308 4.4443 5.2690 5.2844 5.9609 5.9875 6.0173 6.0383 6.5514 6.5548 6.9184 6.9335 7.2530 7.2595 7.7391 7.7396 7.9468 7.9481 12.2952 12.3028 12.3996 12.4005 12.6914 12.6940 12.8588 12.8609 13.9713 13.9745 k = 0.3657 0.6257 0.1592 ( 3735 PWs) bands (ev): -30.8775 -30.8775 -30.8642 -30.8642 -12.3273 -12.3260 -12.2825 -12.2709 -12.0252 -12.0229 -11.9222 -11.9166 -11.7344 -11.7272 -11.6763 -11.6727 -6.3754 -6.3730 -6.0399 -6.0348 -4.8108 -4.8077 -4.6514 -4.6400 1.3453 1.3591 1.9959 2.0074 4.1847 4.2303 4.4259 4.4409 5.2634 5.2795 5.9398 5.9664 6.0610 6.0814 6.5628 6.5667 6.9212 6.9361 7.2819 7.2877 7.7125 7.7131 7.9345 7.9358 12.2970 12.3047 12.4081 12.4099 12.6835 12.6873 12.8874 12.8909 13.9210 13.9256 k = 0.3516 0.6209 0.1662 ( 3735 PWs) bands (ev): -30.8785 -30.8785 -30.8633 -30.8633 -12.3281 -12.3262 -12.2815 -12.2692 -12.0257 -12.0232 -11.9192 -11.9131 -11.7372 -11.7296 -11.6766 -11.6729 -6.4024 -6.3999 -6.0144 -6.0091 -4.8150 -4.8116 -4.6426 -4.6309 1.3046 1.3184 2.0376 2.0498 4.1597 4.2045 4.4204 4.4371 5.2593 5.2758 5.9212 5.9479 6.1025 6.1227 6.5777 6.5822 6.9197 6.9341 7.3130 7.3178 7.6850 7.6858 7.9206 7.9220 12.2994 12.3072 12.4182 12.4208 12.6741 12.6786 12.9203 12.9248 13.8693 13.8747 k = 0.3376 0.6162 0.1733 ( 3737 PWs) bands (ev): -30.8795 -30.8795 -30.8623 -30.8623 -12.3288 -12.3263 -12.2804 -12.2675 -12.0261 -12.0234 -11.9162 -11.9095 -11.7401 -11.7321 -11.6771 -11.6733 -6.4308 -6.4283 -5.9876 -5.9822 -4.8189 -4.8153 -4.6328 -4.6208 1.2601 1.2737 2.0826 2.0955 4.1328 4.1767 4.4145 4.4328 5.2564 5.2734 5.9054 5.9321 6.1414 6.1613 6.5961 6.6014 6.9146 6.9286 7.3450 7.3488 7.6569 7.6578 7.9052 7.9066 12.3021 12.3100 12.4297 12.4331 12.6656 12.6707 12.9549 12.9600 13.8183 13.8243 k = 0.3235 0.6114 0.1803 ( 3738 PWs) bands (ev): -30.8805 -30.8805 -30.8612 -30.8612 -12.3293 -12.3263 -12.2793 -12.2658 -12.0263 -12.0234 -11.9132 -11.9059 -11.7432 -11.7346 -11.6776 -11.6738 -6.4598 -6.4573 -5.9606 -5.9551 -4.8225 -4.8187 -4.6221 -4.6098 1.2130 1.2264 2.1296 2.1433 4.1044 4.1472 4.4085 4.4283 5.2547 5.2722 5.8924 5.9192 6.1772 6.1971 6.6179 6.6242 6.9070 6.9203 7.3766 7.3796 7.6288 7.6298 7.8882 7.8897 12.3049 12.3127 12.4424 12.4468 12.6594 12.6648 12.9897 12.9952 13.7694 13.7755 k = 0.3094 0.6066 0.1873 ( 3742 PWs) bands (ev): -30.8816 -30.8816 -30.8602 -30.8602 -12.3297 -12.3261 -12.2782 -12.2642 -12.0264 -12.0233 -11.9103 -11.9023 -11.7463 -11.7372 -11.6782 -11.6743 -6.4887 -6.4862 -5.9341 -5.9285 -4.8257 -4.8217 -4.6103 -4.5979 1.1643 1.1775 2.1779 2.1923 4.0747 4.1163 4.4024 4.4236 5.2541 5.2720 5.8823 5.9090 6.2100 6.2298 6.6429 6.6501 6.8973 6.9100 7.4066 7.4087 7.6015 7.6027 7.8697 7.8713 12.3075 12.3152 12.4564 12.4616 12.6563 12.6618 13.0237 13.0296 13.7230 13.7293 k = 0.2954 0.6018 0.1943 ( 3742 PWs) bands (ev): -30.8827 -30.8827 -30.8591 -30.8591 -12.3300 -12.3259 -12.2771 -12.2626 -12.0263 -12.0231 -11.9073 -11.8986 -11.7495 -11.7398 -11.6790 -11.6750 -6.5170 -6.5145 -5.9086 -5.9029 -4.8286 -4.8244 -4.5976 -4.5850 1.1146 1.1275 2.2267 2.2418 4.0439 4.0842 4.3963 4.4188 5.2546 5.2728 5.8750 5.9015 6.2400 6.2597 6.6703 6.6785 6.8862 6.8982 7.4326 7.4339 7.5771 7.5786 7.8499 7.8514 12.3097 12.3172 12.4715 12.4775 12.6567 12.6622 13.0565 13.0626 13.6796 13.6860 k = 0.2813 0.5970 0.2014 ( 3744 PWs) bands (ev): -30.8837 -30.8837 -30.8581 -30.8581 -12.3302 -12.3256 -12.2760 -12.2611 -12.0260 -12.0227 -11.9044 -11.8950 -11.7528 -11.7425 -11.6798 -11.6758 -6.5446 -6.5421 -5.8844 -5.8787 -4.8312 -4.8268 -4.5838 -4.5711 1.0645 1.0771 2.2755 2.2913 4.0124 4.0514 4.3902 4.4139 5.2559 5.2744 5.8703 5.8966 6.2675 6.2872 6.6994 6.7087 6.8741 6.8853 7.4494 7.4504 7.5602 7.5627 7.8287 7.8302 12.3113 12.3186 12.4880 12.4947 12.6607 12.6662 13.0874 13.0937 13.6394 13.6458 k = 0.2672 0.5922 0.2084 ( 3737 PWs) bands (ev): -30.8847 -30.8847 -30.8571 -30.8571 -12.3301 -12.3251 -12.2749 -12.2598 -12.0256 -12.0222 -11.9016 -11.8913 -11.7560 -11.7451 -11.6806 -11.6766 -6.5712 -6.5688 -5.8618 -5.8561 -4.8334 -4.8289 -4.5689 -4.5562 1.0144 1.0267 2.3239 2.3404 3.9806 4.0181 4.3843 4.4089 5.2580 5.2766 5.8681 5.8942 6.2930 6.3126 6.7289 6.7395 6.8617 6.8718 7.4490 7.4510 7.5587 7.5625 7.8065 7.8078 12.3125 12.3195 12.5060 12.5132 12.6681 12.6737 13.1162 13.1227 13.6024 13.6090 k = 0.2532 0.5874 0.2154 ( 3735 PWs) bands (ev): -30.8857 -30.8857 -30.8561 -30.8561 -12.3300 -12.3245 -12.2739 -12.2585 -12.0250 -12.0216 -11.8988 -11.8877 -11.7593 -11.7477 -11.6816 -11.6776 -6.5968 -6.5944 -5.8407 -5.8351 -4.8352 -4.8307 -4.5531 -4.5405 0.9647 0.9766 2.3717 2.3888 3.9489 3.9849 4.3784 4.4037 5.2607 5.2794 5.8683 5.8941 6.3170 6.3366 6.7574 6.7699 6.8497 6.8582 7.4328 7.4353 7.5723 7.5770 7.7835 7.7845 12.3134 12.3200 12.5254 12.5330 12.6787 12.6843 13.1426 13.1492 13.5688 13.5755 k = 0.2391 0.5826 0.2224 ( 3734 PWs) bands (ev): -30.8867 -30.8867 -30.8551 -30.8551 -12.3297 -12.3239 -12.2730 -12.2575 -12.0242 -12.0208 -11.8960 -11.8842 -11.7625 -11.7503 -11.6826 -11.6786 -6.6212 -6.6189 -5.8214 -5.8159 -4.8368 -4.8323 -4.5365 -4.5240 0.9157 0.9272 2.4183 2.4360 3.9175 3.9522 4.3726 4.3984 5.2639 5.2826 5.8708 5.8962 6.3399 6.3594 6.7818 6.7979 6.8404 6.8461 7.4087 7.4115 7.5927 7.5982 7.7600 7.7606 12.3141 12.3204 12.5463 12.5542 12.6919 12.6977 13.1662 13.1730 13.5386 13.5455 k = 0.2250 0.5778 0.2294 ( 3730 PWs) bands (ev): -30.8876 -30.8876 -30.8542 -30.8542 -12.3293 -12.3232 -12.2722 -12.2565 -12.0233 -12.0200 -11.8934 -11.8808 -11.7657 -11.7529 -11.6837 -11.6797 -6.6444 -6.6421 -5.8039 -5.7985 -4.8381 -4.8336 -4.5190 -4.5068 0.8677 0.8787 2.4637 2.4818 3.8869 3.9202 4.3668 4.3929 5.2676 5.2860 5.8754 5.9003 6.3621 6.3814 6.7944 6.8149 6.8395 6.8451 7.3820 7.3850 7.6137 7.6207 7.7365 7.7379 12.3151 12.3211 12.5687 12.5767 12.7072 12.7133 13.1869 13.1938 13.5118 13.5189 k = 0.2110 0.5731 0.2365 ( 3731 PWs) bands (ev): -30.8885 -30.8885 -30.8533 -30.8533 -12.3288 -12.3224 -12.2714 -12.2558 -12.0223 -12.0191 -11.8908 -11.8775 -11.7687 -11.7553 -11.6848 -11.6808 -6.6663 -6.6642 -5.7881 -5.7828 -4.8391 -4.8346 -4.5009 -4.4891 0.8209 0.8315 2.5075 2.5260 3.8576 3.8893 4.3610 4.3871 5.2716 5.2896 5.8820 5.9062 6.3836 6.4028 6.7913 6.8086 6.8556 6.8619 7.3547 7.3579 7.6305 7.6401 7.7155 7.7195 12.3167 12.3224 12.5926 12.6005 12.7243 12.7305 13.2044 13.2116 13.4884 13.4957 k = 0.1969 0.5683 0.2435 ( 3727 PWs) bands (ev): -30.8893 -30.8893 -30.8525 -30.8525 -12.3281 -12.3215 -12.2707 -12.2552 -12.0211 -12.0180 -11.8883 -11.8744 -11.7716 -11.7577 -11.6860 -11.6821 -6.6869 -6.6849 -5.7739 -5.7689 -4.8399 -4.8355 -4.4824 -4.4709 0.7757 0.7858 2.5494 2.5682 3.8297 3.8600 4.3551 4.3812 5.2757 5.2933 5.8902 5.9138 6.4045 6.4237 6.7821 6.7968 6.8747 6.8824 7.3281 7.3315 7.6350 7.6471 7.7060 7.7124 12.3192 12.3246 12.6176 12.6254 12.7425 12.7490 13.2187 13.2260 13.4682 13.4758 k = 0.1828 0.5635 0.2505 ( 3727 PWs) bands (ev): -30.8901 -30.8901 -30.8517 -30.8517 -12.3274 -12.3207 -12.2701 -12.2549 -12.0198 -12.0169 -11.8860 -11.8715 -11.7744 -11.7601 -11.6872 -11.6833 -6.7062 -6.7043 -5.7615 -5.7567 -4.8404 -4.8363 -4.4636 -4.4527 0.7323 0.7418 2.5893 2.6081 3.8037 3.8324 4.3492 4.3749 5.2800 5.2969 5.9000 5.9227 6.4249 6.4440 6.7721 6.7851 6.8917 6.9006 7.3028 7.3066 7.6228 7.6334 7.7159 7.7211 12.3228 12.3280 12.6436 12.6512 12.7614 12.7680 13.2297 13.2372 13.4513 13.4592 k = 0.1688 0.5587 0.2575 ( 3731 PWs) bands (ev): -30.8909 -30.8909 -30.8510 -30.8510 -12.3266 -12.3198 -12.2696 -12.2547 -12.0185 -12.0158 -11.8837 -11.8689 -11.7769 -11.7623 -11.6883 -11.6846 -6.7241 -6.7223 -5.7505 -5.7460 -4.8408 -4.8368 -4.4448 -4.4344 0.6910 0.6999 2.6267 2.6454 3.7798 3.8070 4.3432 4.3684 5.2843 5.3005 5.9111 5.9329 6.4445 6.4636 6.7627 6.7746 6.9053 6.9149 7.2795 7.2835 7.6013 7.6101 7.7345 7.7380 12.3277 12.3328 12.6701 12.6774 12.7806 12.7873 13.2374 13.2452 13.4375 13.4457 k = 0.1547 0.5539 0.2646 ( 3730 PWs) bands (ev): -30.8915 -30.8915 -30.8503 -30.8503 -12.3256 -12.3189 -12.2690 -12.2547 -12.0172 -12.0147 -11.8816 -11.8666 -11.7792 -11.7644 -11.6895 -11.6859 -6.7406 -6.7389 -5.7410 -5.7367 -4.8411 -4.8373 -4.4263 -4.4165 0.6519 0.6602 2.6616 2.6801 3.7582 3.7838 4.3373 4.3616 5.2885 5.3038 5.9232 5.9439 6.4632 6.4821 6.7548 6.7657 6.9149 6.9250 7.2585 7.2626 7.5767 7.5843 7.7547 7.7572 12.3341 12.3390 12.6966 12.7033 12.8000 12.8065 13.2422 13.2501 13.4264 13.4349 k = 0.1406 0.5491 0.2716 ( 3730 PWs) bands (ev): -30.8922 -30.8922 -30.8497 -30.8497 -12.3247 -12.3180 -12.2686 -12.2548 -12.0158 -12.0135 -11.8796 -11.8646 -11.7811 -11.7664 -11.6906 -11.6872 -6.7557 -6.7542 -5.7328 -5.7289 -4.8412 -4.8377 -4.4082 -4.3991 0.6154 0.6230 2.6938 2.7117 3.7392 3.7630 4.3313 4.3547 5.2926 5.3070 5.9360 5.9555 6.4806 6.4992 6.7487 6.7587 6.9208 6.9310 7.2399 7.2439 7.5515 7.5582 7.7745 7.7765 12.3420 12.3467 12.7223 12.7283 12.8197 12.8257 13.2441 13.2523 13.4179 13.4265 k = 0.1266 0.5443 0.2786 ( 3734 PWs) bands (ev): -30.8928 -30.8928 -30.8491 -30.8491 -12.3237 -12.3172 -12.2681 -12.2552 -12.0144 -12.0123 -11.8777 -11.8630 -11.7827 -11.7683 -11.6917 -11.6885 -6.7694 -6.7680 -5.7257 -5.7222 -4.8412 -4.8380 -4.3908 -4.3824 0.5815 0.5885 2.7230 2.7401 3.7228 3.7448 4.3255 4.3476 5.2966 5.3098 5.9492 5.9674 6.4964 6.5147 6.7444 6.7537 6.9237 6.9335 7.2234 7.2270 7.5268 7.5327 7.7933 7.7949 12.3512 12.3558 12.7458 12.7508 12.8401 12.8456 13.2436 13.2519 13.4115 13.4203 k = 0.1125 0.5395 0.2856 ( 3734 PWs) bands (ev): -30.8933 -30.8933 -30.8486 -30.8486 -12.3226 -12.3165 -12.2677 -12.2556 -12.0130 -12.0112 -11.8759 -11.8617 -11.7839 -11.7701 -11.6927 -11.6897 -6.7817 -6.7804 -5.7198 -5.7166 -4.8412 -4.8383 -4.3743 -4.3668 0.5507 0.5570 2.7492 2.7653 3.7091 3.7291 4.3200 4.3404 5.3004 5.3124 5.9625 5.9792 6.5105 6.5283 6.7416 6.7504 6.9249 6.9337 7.2083 7.2114 7.5034 7.5087 7.8108 7.8122 12.3617 12.3660 12.7657 12.7696 12.8621 12.8670 13.2406 13.2490 13.4072 13.4159 k = 0.0985 0.5347 0.2926 ( 3736 PWs) bands (ev): -30.8937 -30.8937 -30.8482 -30.8482 -12.3216 -12.3159 -12.2672 -12.2562 -12.0117 -12.0102 -11.8742 -11.8609 -11.7848 -11.7718 -11.6936 -11.6909 -6.7925 -6.7914 -5.7149 -5.7120 -4.8411 -4.8385 -4.3591 -4.3524 0.5230 0.5285 2.7723 2.7871 3.6980 3.7159 4.3147 4.3334 5.3040 5.3147 5.9755 5.9905 6.5229 6.5399 6.7394 6.7480 6.9260 6.9334 7.1939 7.1961 7.4822 7.4868 7.8266 7.8278 12.3731 12.3772 12.7804 12.7835 12.8863 12.8910 13.2351 13.2436 13.4047 13.4133 k = 0.0844 0.5300 0.2997 ( 3733 PWs) bands (ev): -30.8941 -30.8941 -30.8478 -30.8478 -12.3205 -12.3153 -12.2667 -12.2569 -12.0105 -12.0092 -11.8726 -11.8605 -11.7852 -11.7735 -11.6944 -11.6920 -6.8019 -6.8009 -5.7107 -5.7083 -4.8409 -4.8387 -4.3453 -4.3395 0.4986 0.5034 2.7923 2.8055 3.6893 3.7049 4.3100 4.3265 5.3073 5.3166 5.9879 6.0011 6.5337 6.5497 6.7369 6.7455 6.9289 6.9343 7.1791 7.1806 7.4636 7.4675 7.8407 7.8417 12.3851 12.3889 12.7897 12.7926 12.9128 12.9176 13.2269 13.2353 13.4039 13.4121 k = 0.0703 0.5252 0.3067 ( 3737 PWs) bands (ev): -30.8945 -30.8945 -30.8474 -30.8474 -12.3195 -12.3149 -12.2661 -12.2578 -12.0094 -12.0083 -11.8711 -11.8605 -11.7853 -11.7750 -11.6951 -11.6930 -6.8099 -6.8090 -5.7074 -5.7054 -4.8407 -4.8388 -4.3332 -4.3283 0.4777 0.4818 2.8092 2.8206 3.6829 3.6961 4.3058 4.3201 5.3103 5.3181 5.9993 6.0106 6.5433 6.5579 6.7332 6.7419 6.9348 6.9382 7.1632 7.1643 7.4480 7.4512 7.8529 7.8537 12.3971 12.4005 12.7944 12.7972 12.9410 12.9458 13.2161 13.2242 13.4045 13.4120 k = 0.0563 0.5204 0.3137 ( 3740 PWs) bands (ev): -30.8948 -30.8948 -30.8472 -30.8472 -12.3185 -12.3147 -12.2655 -12.2586 -12.0084 -12.0076 -11.8696 -11.8608 -11.7850 -11.7765 -11.6956 -11.6939 -6.8164 -6.8157 -5.7048 -5.7031 -4.8405 -4.8390 -4.3229 -4.3190 0.4605 0.4638 2.8231 2.8325 3.6784 3.6892 4.3025 4.3142 5.3129 5.3193 6.0093 6.0186 6.5519 6.5648 6.7283 6.7368 6.9440 6.9456 7.1460 7.1473 7.4356 7.4382 7.8630 7.8637 12.4086 12.4115 12.7959 12.7985 12.9699 12.9747 13.2028 13.2103 13.4061 13.4127 k = 0.0422 0.5156 0.3207 ( 3738 PWs) bands (ev): -30.8950 -30.8950 -30.8469 -30.8469 -12.3176 -12.3146 -12.2648 -12.2596 -12.0076 -12.0070 -11.8682 -11.8614 -11.7845 -11.7779 -11.6960 -11.6947 -6.8214 -6.8209 -5.7027 -5.7015 -4.8403 -4.8392 -4.3146 -4.3116 0.4471 0.4495 2.8341 2.8412 3.6757 3.6838 4.3001 4.3091 5.3152 5.3200 6.0178 6.0248 6.5596 6.5703 6.7228 6.7305 6.9560 6.9563 7.1283 7.1300 7.4264 7.4283 7.8710 7.8715 12.4187 12.4210 12.7955 12.7976 12.9982 13.0028 13.1875 13.1943 13.4082 13.4135 k = 0.0281 0.5108 0.3278 ( 3734 PWs) bands (ev): -30.8951 -30.8951 -30.8468 -30.8468 -12.3167 -12.3147 -12.2641 -12.2605 -12.0070 -12.0066 -11.8668 -11.8622 -11.7837 -11.7792 -11.6962 -11.6953 -6.8250 -6.8246 -5.7013 -5.7004 -4.8401 -4.8393 -4.3084 -4.3065 0.4375 0.4392 2.8421 2.8470 3.6743 3.6798 4.2987 4.3048 5.3171 5.3203 6.0244 6.0291 6.5664 6.5742 6.7179 6.7238 6.9683 6.9689 7.1118 7.1135 7.4201 7.4214 7.8768 7.8771 12.4268 12.4285 12.7943 12.7958 13.0241 13.0282 13.1717 13.1772 13.4104 13.4141 k = 0.0141 0.5060 0.3348 ( 3730 PWs) bands (ev): -30.8952 -30.8952 -30.8467 -30.8467 -12.3160 -12.3150 -12.2632 -12.2614 -12.0066 -12.0064 -11.8655 -11.8632 -11.7827 -11.7805 -11.6962 -11.6958 -6.8271 -6.8269 -5.7003 -5.6999 -4.8399 -4.8395 -4.3045 -4.3035 0.4319 0.4328 2.8475 2.8499 3.6742 3.6769 4.2985 4.3016 5.3185 5.3201 6.0289 6.0313 6.5717 6.5759 6.7151 6.7183 6.9788 6.9795 7.0993 7.1004 7.4166 7.4172 7.8803 7.8805 12.4322 12.4331 12.7933 12.7941 13.0447 13.0474 13.1585 13.1620 13.4122 13.4142 k = 0.0000 0.5012 0.3418 ( 3730 PWs) bands (ev): -30.8953 -30.8953 -30.8467 -30.8467 -12.3154 -12.3154 -12.2624 -12.2624 -12.0064 -12.0064 -11.8643 -11.8643 -11.7817 -11.7817 -11.6961 -11.6961 -6.8277 -6.8277 -5.6999 -5.6999 -4.8397 -4.8397 -4.3029 -4.3029 0.4304 0.4304 2.8501 2.8501 3.6751 3.6751 4.2995 4.2995 5.3196 5.3196 6.0312 6.0312 6.5751 6.5751 6.7151 6.7151 6.9835 6.9835 7.0948 7.0948 7.4157 7.4157 7.8816 7.8816 12.4344 12.4344 12.7932 12.7932 13.0541 13.0541 13.1541 13.1541 13.4136 13.4136 k = 0.0000 0.5012 0.3418 ( 3730 PWs) bands (ev): -30.8953 -30.8953 -30.8467 -30.8467 -12.3154 -12.3154 -12.2624 -12.2624 -12.0064 -12.0064 -11.8643 -11.8643 -11.7817 -11.7817 -11.6961 -11.6961 -6.8277 -6.8277 -5.6999 -5.6999 -4.8397 -4.8397 -4.3029 -4.3029 0.4304 0.4304 2.8501 2.8501 3.6751 3.6751 4.2995 4.2995 5.3196 5.3196 6.0312 6.0312 6.5751 6.5751 6.7151 6.7151 6.9835 6.9835 7.0948 7.0948 7.4157 7.4157 7.8816 7.8816 12.4344 12.4344 12.7932 12.7932 13.0541 13.0541 13.1541 13.1541 13.4136 13.4136 k = 0.0086 0.4932 0.3536 ( 3738 PWs) bands (ev): -30.8952 -30.8952 -30.8467 -30.8467 -12.3162 -12.3148 -12.2624 -12.2623 -12.0067 -12.0060 -11.8643 -11.8641 -11.7818 -11.7817 -11.6964 -11.6959 -6.8271 -6.8270 -5.7010 -5.7009 -4.8395 -4.8391 -4.3034 -4.3030 0.4319 0.4321 2.8452 2.8476 3.6744 3.6795 4.2986 4.3002 5.3185 5.3194 6.0302 6.0303 6.5748 6.5760 6.7165 6.7173 6.9844 6.9849 7.0954 7.0959 7.4145 7.4148 7.8818 7.8825 12.4305 12.4315 12.7935 12.7935 13.0538 13.0539 13.1583 13.1589 13.4145 13.4153 k = 0.0172 0.4852 0.3654 ( 3736 PWs) bands (ev): -30.8951 -30.8951 -30.8468 -30.8468 -12.3170 -12.3143 -12.2625 -12.2622 -12.0070 -12.0056 -11.8640 -11.8636 -11.7822 -11.7821 -11.6968 -11.6956 -6.8252 -6.8250 -5.7042 -5.7039 -4.8384 -4.8375 -4.3045 -4.3037 0.4366 0.4371 2.8333 2.8380 3.6774 3.6874 4.2977 4.3008 5.3164 5.3181 6.0274 6.0277 6.5753 6.5777 6.7213 6.7230 6.9878 6.9886 7.0976 7.0986 7.4114 7.4121 7.8831 7.8847 12.4203 12.4222 12.7947 12.7947 13.0529 13.0531 13.1712 13.1723 13.4182 13.4198 k = 0.0259 0.4771 0.3772 ( 3736 PWs) bands (ev): -30.8950 -30.8950 -30.8470 -30.8470 -12.3179 -12.3140 -12.2624 -12.2620 -12.0072 -12.0052 -11.8634 -11.8629 -11.7829 -11.7827 -11.6971 -11.6954 -6.8220 -6.8217 -5.7095 -5.7091 -4.8364 -4.8351 -4.3061 -4.3050 0.4446 0.4452 2.8148 2.8215 3.6837 3.6984 4.2965 4.3013 5.3133 5.3160 6.0231 6.0236 6.5763 6.5799 6.7293 6.7318 6.9935 6.9948 7.1016 7.1031 7.4065 7.4076 7.8856 7.8879 12.4046 12.4072 12.7966 12.7966 13.0514 13.0518 13.1919 13.1935 13.4245 13.4269 k = 0.0345 0.4691 0.3889 ( 3740 PWs) bands (ev): -30.8947 -30.8947 -30.8472 -30.8472 -12.3190 -12.3138 -12.2624 -12.2619 -12.0073 -12.0047 -11.8626 -11.8619 -11.7837 -11.7836 -11.6975 -11.6953 -6.8176 -6.8172 -5.7168 -5.7164 -4.8335 -4.8319 -4.3084 -4.3069 0.4557 0.4566 2.7902 2.7986 3.6930 3.7119 4.2951 4.3014 5.3096 5.3132 6.0176 6.0181 6.5774 6.5820 6.7400 6.7431 7.0015 7.0032 7.1077 7.1096 7.4000 7.4015 7.8890 7.8920 12.3845 12.3878 12.7993 12.7994 13.0493 13.0498 13.2191 13.2211 13.4331 13.4362 k = 0.0431 0.4610 0.4007 ( 3748 PWs) bands (ev): -30.8944 -30.8944 -30.8476 -30.8476 -12.3200 -12.3137 -12.2624 -12.2618 -12.0074 -12.0042 -11.8616 -11.8607 -11.7848 -11.7847 -11.6979 -11.6953 -6.8119 -6.8114 -5.7262 -5.7256 -4.8298 -4.8277 -4.3113 -4.3094 0.4700 0.4710 2.7604 2.7700 3.7046 3.7273 4.2932 4.3011 5.3057 5.3102 6.0111 6.0117 6.5781 6.5837 6.7527 6.7565 7.0118 7.0137 7.1160 7.1184 7.3922 7.3942 7.8932 7.8969 12.3613 12.3652 12.8028 12.8030 13.0465 13.0470 13.2516 13.2540 13.4436 13.4473 k = 0.0517 0.4530 0.4125 ( 3746 PWs) bands (ev): -30.8940 -30.8940 -30.8479 -30.8479 -12.3211 -12.3137 -12.2623 -12.2617 -12.0074 -12.0037 -11.8604 -11.8592 -11.7860 -11.7860 -11.6983 -11.6953 -6.8048 -6.8042 -5.7375 -5.7369 -4.8252 -4.8227 -4.3148 -4.3125 0.4873 0.4886 2.7259 2.7364 3.7179 3.7438 4.2907 4.3003 5.3021 5.3076 6.0041 6.0047 6.5780 6.5845 6.7668 6.7709 7.0241 7.0264 7.1269 7.1296 7.3837 7.3860 7.8981 7.9024 12.3361 12.3405 12.8072 12.8075 13.0429 13.0435 13.2880 13.2906 13.4554 13.4595 k = 0.0603 0.4450 0.4243 ( 3744 PWs) bands (ev): -30.8936 -30.8936 -30.8484 -30.8484 -12.3222 -12.3137 -12.2622 -12.2617 -12.0072 -12.0031 -11.8590 -11.8575 -11.7876 -11.7873 -11.6988 -11.6954 -6.7965 -6.7959 -5.7508 -5.7500 -4.8197 -4.8169 -4.3189 -4.3162 0.5076 0.5091 2.6874 2.6984 3.7323 3.7611 4.2875 4.2987 5.2993 5.3058 5.9969 5.9975 6.5767 6.5840 6.7812 6.7857 7.0384 7.0410 7.1404 7.1435 7.3749 7.3777 7.9034 7.9083 12.3100 12.3147 12.8123 12.8129 13.0385 13.0392 13.3270 13.3299 13.4676 13.4720 k = 0.0690 0.4369 0.4361 ( 3742 PWs) bands (ev): -30.8930 -30.8930 -30.8489 -30.8489 -12.3233 -12.3138 -12.2622 -12.2618 -12.0069 -12.0025 -11.8574 -11.8557 -11.7894 -11.7888 -11.6992 -11.6955 -6.7870 -6.7862 -5.7660 -5.7651 -4.8134 -4.8102 -4.3236 -4.3205 0.5308 0.5325 2.6455 2.6568 3.7472 3.7784 4.2832 4.2961 5.2979 5.3053 5.9898 5.9905 6.5738 6.5817 6.7950 6.7998 7.0546 7.0573 7.1566 7.1600 7.3666 7.3700 7.9089 7.9144 12.2837 12.2888 12.8182 12.8189 13.0333 13.0339 13.3674 13.3706 13.4793 13.4836 k = 0.0776 0.4289 0.4479 ( 3742 PWs) bands (ev): -30.8924 -30.8924 -30.8495 -30.8495 -12.3243 -12.3140 -12.2623 -12.2619 -12.0065 -12.0018 -11.8557 -11.8537 -11.7914 -11.7905 -11.6996 -11.6957 -6.7762 -6.7753 -5.7829 -5.7819 -4.8062 -4.8027 -4.3288 -4.3254 0.5569 0.5586 2.6007 2.6120 3.7623 3.7955 4.2779 4.2923 5.2983 5.3066 5.9831 5.9838 6.5691 6.5776 6.8071 6.8120 7.0724 7.0752 7.1755 7.1790 7.3596 7.3636 7.9144 7.9203 12.2581 12.2635 12.8245 12.8256 13.0273 13.0277 13.4081 13.4116 13.4892 13.4931 k = 0.0862 0.4209 0.4597 ( 3744 PWs) bands (ev): -30.8918 -30.8918 -30.8501 -30.8501 -12.3253 -12.3141 -12.2624 -12.2621 -12.0060 -12.0011 -11.8539 -11.8516 -11.7936 -11.7922 -11.7001 -11.6960 -6.7642 -6.7632 -5.8015 -5.8004 -4.7983 -4.7943 -4.3347 -4.3309 0.5856 0.5875 2.5534 2.5645 3.7771 3.8121 4.2712 4.2872 5.3012 5.3103 5.9770 5.9777 6.5626 6.5715 6.8162 6.8212 7.0918 7.0945 7.1969 7.2004 7.3549 7.3596 7.9196 7.9259 12.2337 12.2392 12.8309 12.8324 13.0204 13.0206 13.4476 13.4517 13.4963 13.4994 k = 0.0948 0.4128 0.4714 ( 3748 PWs) bands (ev): -30.8911 -30.8911 -30.8509 -30.8509 -12.3263 -12.3143 -12.2626 -12.2625 -12.0054 -12.0004 -11.8520 -11.8495 -11.7959 -11.7939 -11.7005 -11.6964 -6.7510 -6.7499 -5.8217 -5.8206 -4.7895 -4.7852 -4.3412 -4.3370 0.6169 0.6189 2.5041 2.5149 3.7914 3.8279 4.2632 4.2807 5.3067 5.3167 5.9716 5.9723 6.5544 6.5635 6.8213 6.8262 7.1127 7.1153 7.2203 7.2239 7.3534 7.3587 7.9243 7.9309 12.2110 12.2166 12.8371 12.8391 13.0125 13.0127 13.4843 13.4892 13.5004 13.5023 k = 0.1034 0.4048 0.4832 ( 3754 PWs) bands (ev): -30.8903 -30.8903 -30.8516 -30.8516 -12.3272 -12.3145 -12.2629 -12.2629 -12.0047 -11.9996 -11.8500 -11.8473 -11.7984 -11.7956 -11.7010 -11.6969 -6.7365 -6.7354 -5.8435 -5.8423 -4.7800 -4.7754 -4.3482 -4.3438 0.6507 0.6528 2.4530 2.4633 3.8052 3.8428 4.2537 4.2727 5.3153 5.3261 5.9671 5.9677 6.5445 6.5538 6.8211 6.8260 7.1352 7.1376 7.2455 7.2490 7.3556 7.3617 7.9282 7.9351 12.1904 12.1961 12.8422 12.8448 13.0036 13.0045 13.4999 13.5016 13.5178 13.5230 k = 0.1121 0.3967 0.4950 ( 3754 PWs) bands (ev): -30.8895 -30.8895 -30.8525 -30.8525 -12.3280 -12.3146 -12.2634 -12.2632 -12.0038 -11.9988 -11.8480 -11.8451 -11.8010 -11.7974 -11.7015 -11.6974 -6.7209 -6.7197 -5.8666 -5.8653 -4.7697 -4.7648 -4.3558 -4.3511 0.6868 0.6890 2.4004 2.4102 3.8182 3.8568 4.2428 4.2631 5.3273 5.3387 5.9633 5.9640 6.5332 6.5426 6.8152 6.8199 7.1594 7.1616 7.2719 7.2753 7.3618 7.3687 7.9311 7.9382 12.1722 12.1779 12.8449 12.8483 12.9947 12.9965 13.4993 13.5002 13.5419 13.5484 k = 0.1207 0.3887 0.5068 ( 3746 PWs) bands (ev): -30.8886 -30.8886 -30.8533 -30.8533 -12.3286 -12.3147 -12.2640 -12.2637 -12.0028 -11.9979 -11.8459 -11.8429 -11.8036 -11.7989 -11.7019 -11.6979 -6.7041 -6.7028 -5.8911 -5.8897 -4.7587 -4.7536 -4.3640 -4.3590 0.7251 0.7274 2.3466 2.3558 3.8304 3.8698 4.2305 4.2521 5.3426 5.3545 5.9604 5.9611 6.5207 6.5301 6.8033 6.8078 7.1855 7.1874 7.2991 7.3024 7.3721 7.3796 7.9329 7.9401 12.1568 12.1624 12.8437 12.8480 12.9869 12.9898 13.4988 13.4993 13.5540 13.5615 k = 0.1293 0.3807 0.5186 ( 3748 PWs) bands (ev): -30.8877 -30.8877 -30.8543 -30.8543 -12.3292 -12.3147 -12.2647 -12.2643 -12.0017 -11.9970 -11.8439 -11.8409 -11.8063 -11.8004 -11.7024 -11.6986 -6.6861 -6.6848 -5.9167 -5.9153 -4.7471 -4.7417 -4.3728 -4.3675 0.7655 0.7679 2.2917 2.3002 3.8418 3.8819 4.2169 4.2396 5.3614 5.3737 5.9582 5.9588 6.5073 6.5167 6.7855 6.7898 7.2134 7.2151 7.3266 7.3297 7.3857 7.3939 7.9331 7.9404 12.1443 12.1499 12.8366 12.8416 12.9818 12.9859 13.5004 13.5010 13.5508 13.5588 k = 0.1379 0.3726 0.5304 ( 3748 PWs) bands (ev): -30.8867 -30.8867 -30.8552 -30.8552 -12.3297 -12.3146 -12.2655 -12.2650 -12.0005 -11.9961 -11.8420 -11.8391 -11.8089 -11.8017 -11.7028 -11.6993 -6.6671 -6.6656 -5.9434 -5.9419 -4.7349 -4.7292 -4.3821 -4.3766 0.8079 0.8102 2.2360 2.2438 3.8526 3.8931 4.2023 4.2260 5.3835 5.3962 5.9565 5.9572 6.4933 6.5025 6.7626 6.7666 7.2431 7.2446 7.3539 7.3569 7.4021 7.4108 7.9318 7.9391 12.1351 12.1405 12.8223 12.8276 12.9810 12.9858 13.5053 13.5066 13.5346 13.5420 k = 0.1466 0.3646 0.5422 ( 3744 PWs) bands (ev): -30.8857 -30.8857 -30.8563 -30.8563 -12.3301 -12.3145 -12.2664 -12.2658 -11.9992 -11.9952 -11.8401 -11.8376 -11.8115 -11.8026 -11.7033 -11.7000 -6.6469 -6.6454 -5.9710 -5.9695 -4.7222 -4.7162 -4.3920 -4.3862 0.8521 0.8545 2.1795 2.1867 3.8628 3.9036 4.1867 4.2113 5.4088 5.4217 5.9553 5.9559 6.4790 6.4880 6.7353 6.7391 7.2743 7.2756 7.3807 7.3835 7.4205 7.4296 7.9286 7.9359 12.1292 12.1344 12.8007 12.8059 12.9846 12.9897 13.5050 13.5116 13.5199 13.5220 k = 0.1552 0.3566 0.5539 ( 3746 PWs) bands (ev): -30.8846 -30.8846 -30.8573 -30.8573 -12.3304 -12.3143 -12.2673 -12.2667 -11.9979 -11.9943 -11.8384 -11.8364 -11.8140 -11.8033 -11.7037 -11.7007 -6.6257 -6.6242 -5.9995 -5.9979 -4.7089 -4.7027 -4.4024 -4.3964 0.8981 0.9003 2.1225 2.1289 3.8724 3.9135 4.1704 4.1958 5.4371 5.4501 5.9543 5.9548 6.4645 6.4734 6.7046 6.7081 7.3069 7.3080 7.4065 7.4091 7.4402 7.4496 7.9235 7.9307 12.1268 12.1317 12.7728 12.7775 12.9920 12.9971 13.4777 13.4848 13.5332 13.5350 k = 0.1638 0.3485 0.5657 ( 3744 PWs) bands (ev): -30.8835 -30.8835 -30.8584 -30.8584 -12.3306 -12.3141 -12.2682 -12.2676 -11.9965 -11.9933 -11.8369 -11.8355 -11.8163 -11.8036 -11.7042 -11.7015 -6.6035 -6.6019 -6.0287 -6.0270 -4.6953 -4.6888 -4.4133 -4.4072 0.9456 0.9478 2.0649 2.0707 3.8817 3.9230 4.1536 4.1797 5.4681 5.4812 5.9532 5.9536 6.4503 6.4589 6.6714 6.6746 7.3403 7.3411 7.4310 7.4335 7.4606 7.4703 7.9163 7.9233 12.1280 12.1327 12.7398 12.7439 13.0022 13.0072 13.4469 13.4535 13.5539 13.5564 k = 0.1724 0.3405 0.5775 ( 3744 PWs) bands (ev): -30.8824 -30.8824 -30.8596 -30.8596 -12.3307 -12.3137 -12.2692 -12.2686 -11.9952 -11.9924 -11.8356 -11.8350 -11.8184 -11.8036 -11.7046 -11.7023 -6.5802 -6.5786 -6.0584 -6.0568 -4.6812 -4.6745 -4.4247 -4.4184 0.9946 0.9967 2.0071 2.0121 3.8906 3.9321 4.1366 4.1632 5.5015 5.5145 5.9517 5.9518 6.4365 6.4448 6.6366 6.6394 7.3740 7.3747 7.4538 7.4562 7.4814 7.4913 7.9069 7.9137 12.1329 12.1373 12.7031 12.7065 13.0145 13.0192 13.4156 13.4218 13.5799 13.5830 k = 0.1810 0.3325 0.5893 ( 3748 PWs) bands (ev): -30.8812 -30.8812 -30.8608 -30.8608 -12.3307 -12.3134 -12.2702 -12.2696 -11.9939 -11.9916 -11.8348 -11.8347 -11.8201 -11.8033 -11.7050 -11.7031 -6.5561 -6.5544 -6.0887 -6.0870 -4.6668 -4.6600 -4.4366 -4.4302 1.0449 1.0469 1.9489 1.9533 3.8995 3.9411 4.1195 4.1465 5.5368 5.5497 5.9492 5.9494 6.4235 6.4314 6.6011 6.6034 7.4073 7.4079 7.4747 7.4771 7.5025 7.5124 7.8952 7.9018 12.1415 12.1455 12.6636 12.6664 13.0285 13.0328 13.3850 13.3908 13.6105 13.6142 k = 0.1897 0.3244 0.6011 ( 3744 PWs) bands (ev): -30.8800 -30.8800 -30.8620 -30.8620 -12.3307 -12.3130 -12.2711 -12.2706 -11.9926 -11.9908 -11.8349 -11.8342 -11.8213 -11.8027 -11.7053 -11.7038 -6.5310 -6.5293 -6.1193 -6.1175 -4.6522 -4.6451 -4.4490 -4.4425 1.0964 1.0982 1.8906 1.8944 3.9083 3.9501 4.1025 4.1298 5.5738 5.5864 5.9451 5.9458 6.4115 6.4190 6.5659 6.5676 7.4394 7.4400 7.4935 7.4959 7.5241 7.5340 7.8811 7.8875 12.1538 12.1575 12.6223 12.6245 13.0439 13.0477 13.3553 13.3606 13.6451 13.6492 k = 0.1983 0.3164 0.6129 ( 3742 PWs) bands (ev): -30.8787 -30.8787 -30.8632 -30.8632 -12.3306 -12.3125 -12.2720 -12.2716 -11.9914 -11.9900 -11.8352 -11.8342 -11.8220 -11.8020 -11.7057 -11.7045 -6.5051 -6.5034 -6.1501 -6.1484 -4.6374 -4.6301 -4.4618 -4.4552 1.1491 1.1507 1.8322 1.8354 3.9172 3.9592 4.0859 4.1133 5.6118 5.6242 5.9391 5.9404 6.4008 6.4079 6.5320 6.5328 7.4688 7.4696 7.5100 7.5124 7.5470 7.5565 7.8647 7.8708 12.1697 12.1731 12.5800 12.5816 13.0605 13.0638 13.3267 13.3316 13.6830 13.6872 k = 0.2069 0.3083 0.6247 ( 3746 PWs) bands (ev): -30.8775 -30.8775 -30.8645 -30.8645 -12.3306 -12.3121 -12.2728 -12.2725 -11.9904 -11.9894 -11.8356 -11.8347 -11.8222 -11.8013 -11.7060 -11.7051 -6.4784 -6.4766 -6.1811 -6.1793 -4.6225 -4.6150 -4.4749 -4.4683 1.2027 1.2042 1.7737 1.7764 3.9262 3.9686 4.0700 4.0972 5.6503 5.6624 5.9306 5.9325 6.3919 6.3984 6.5001 6.5002 7.4940 7.4954 7.5240 7.5264 7.5720 7.5808 7.8460 7.8518 12.1893 12.1922 12.5373 12.5384 13.0782 13.0809 13.2994 13.3038 13.7230 13.7270 k = 0.2155 0.3003 0.6364 ( 3744 PWs) bands (ev): -30.8762 -30.8762 -30.8658 -30.8658 -12.3304 -12.3117 -12.2735 -12.2733 -11.9895 -11.9888 -11.8360 -11.8353 -11.8221 -11.8006 -11.7062 -11.7056 -6.4509 -6.4491 -6.2121 -6.2103 -4.6075 -4.5998 -4.4884 -4.4818 1.2573 1.2584 1.7154 1.7175 3.9353 3.9784 4.0548 4.0816 5.6888 5.7005 5.9188 5.9215 6.3852 6.3909 6.4704 6.4716 7.5141 7.5164 7.5354 7.5378 7.5996 7.6074 7.8249 7.8306 12.2123 12.2148 12.4949 12.4955 13.0968 13.0990 13.2734 13.2771 13.7636 13.7671 k = 0.2241 0.2923 0.6482 ( 3746 PWs) bands (ev): -30.8749 -30.8749 -30.8670 -30.8670 -12.3303 -12.3114 -12.2741 -12.2739 -11.9887 -11.9883 -11.8364 -11.8359 -11.8219 -11.7999 -11.7064 -11.7061 -6.4227 -6.4209 -6.2431 -6.2413 -4.5925 -4.5845 -4.5022 -4.4957 1.3126 1.3135 1.6573 1.6588 3.9443 3.9886 4.0410 4.0666 5.7264 5.7377 5.9035 5.9070 6.3809 6.3856 6.4445 6.4472 7.5291 7.5323 7.5441 7.5464 7.6292 7.6361 7.8017 7.8072 12.2386 12.2408 12.4532 12.4534 13.1164 13.1179 13.2484 13.2515 13.8024 13.8049 k = 0.2328 0.2842 0.6600 ( 3752 PWs) bands (ev): -30.8736 -30.8736 -30.8684 -30.8684 -12.3303 -12.3111 -12.2745 -12.2745 -11.9882 -11.9880 -11.8367 -11.8365 -11.8217 -11.7995 -11.7066 -11.7064 -6.3939 -6.3921 -6.2739 -6.2721 -4.5778 -4.5694 -4.5161 -4.5100 1.3685 1.3690 1.5995 1.6006 3.9526 3.9993 4.0290 4.0525 5.7624 5.7734 5.8843 5.8884 6.3796 6.3829 6.4234 6.4278 7.5395 7.5436 7.5501 7.5522 7.6598 7.6660 7.7764 7.7818 12.2681 12.2698 12.4124 12.4127 13.1369 13.1376 13.2245 13.2268 13.8351 13.8364 k = 0.2414 0.2762 0.6718 ( 3748 PWs) bands (ev): -30.8723 -30.8723 -30.8697 -30.8697 -12.3302 -12.3110 -12.2748 -12.2748 -11.9879 -11.9878 -11.8368 -11.8368 -11.8215 -11.7991 -11.7066 -11.7066 -6.3646 -6.3628 -6.3045 -6.3027 -4.5638 -4.5543 -4.5295 -4.5244 1.4244 1.4246 1.5426 1.5432 3.9592 4.0099 4.0202 4.0397 5.7952 5.8066 5.8620 5.8660 6.3810 6.3824 6.4081 6.4147 7.5458 7.5509 7.5535 7.5550 7.6903 7.6961 7.7493 7.7547 12.3003 12.3015 12.3733 12.3740 13.1581 13.1581 13.2016 13.2031 13.8570 13.8575 k = 0.2500 0.2682 0.6836 ( 3752 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3302 -12.3109 -12.2749 -12.2749 -11.9878 -11.9878 -11.8369 -11.8369 -11.8215 -11.7991 -11.7067 -11.7067 -6.3353 -6.3342 -6.3342 -6.3317 -4.5552 -4.5406 -4.5380 -4.5380 1.4691 1.4691 1.4977 1.4980 3.9619 4.0168 4.0168 4.0321 5.8152 5.8307 5.8454 5.8454 6.3828 6.3828 6.4016 6.4098 7.5480 7.5546 7.5546 7.5546 7.7175 7.7233 7.7233 7.7285 12.3309 12.3309 12.3403 12.3422 13.1777 13.1794 13.1811 13.1811 13.8650 13.8710 k = 0.2500 0.2682 0.6836 ( 3752 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3302 -12.3109 -12.2749 -12.2749 -11.9878 -11.9878 -11.8369 -11.8369 -11.8215 -11.7991 -11.7067 -11.7067 -6.3353 -6.3342 -6.3342 -6.3317 -4.5552 -4.5406 -4.5380 -4.5380 1.4691 1.4691 1.4977 1.4980 3.9619 4.0168 4.0168 4.0321 5.8152 5.8307 5.8454 5.8454 6.3828 6.3828 6.4016 6.4098 7.5480 7.5546 7.5546 7.5546 7.7175 7.7233 7.7233 7.7285 12.3309 12.3309 12.3403 12.3422 13.1777 13.1794 13.1811 13.1811 13.8650 13.8655 k = 0.2576 0.2763 0.6717 ( 3750 PWs) bands (ev): -30.8719 -30.8719 -30.8701 -30.8701 -12.3302 -12.3109 -12.2752 -12.2745 -11.9881 -11.9874 -11.8377 -11.8372 -11.8208 -11.7988 -11.7067 -11.7066 -6.3555 -6.3538 -6.3137 -6.3120 -4.5601 -4.5499 -4.5329 -4.5287 1.4403 1.4406 1.5260 1.5264 3.9613 4.0133 4.0196 4.0374 5.8012 5.8136 5.8552 5.8607 6.3814 6.3824 6.4057 6.4127 7.5469 7.5528 7.5535 7.5548 7.6995 7.7054 7.7401 7.7456 12.3102 12.3113 12.3626 12.3635 13.1640 13.1644 13.1964 13.1978 13.8599 13.8622 k = 0.2652 0.2844 0.6598 ( 3748 PWs) bands (ev): -30.8728 -30.8728 -30.8692 -30.8692 -12.3301 -12.3109 -12.2755 -12.2740 -11.9885 -11.9870 -11.8396 -11.8379 -11.8189 -11.7982 -11.7067 -11.7065 -6.3748 -6.3732 -6.2938 -6.2922 -4.5690 -4.5603 -4.5240 -4.5185 1.4019 1.4025 1.5633 1.5640 3.9598 4.0080 4.0273 4.0485 5.7731 5.7857 5.8733 5.8811 6.3794 6.3801 6.4166 6.4213 7.5441 7.5501 7.5503 7.5519 7.6799 7.6864 7.7566 7.7622 12.2873 12.2888 12.3901 12.3906 13.1492 13.1494 13.2159 13.2178 13.8478 13.8491 k = 0.2727 0.2925 0.6478 ( 3744 PWs) bands (ev): -30.8736 -30.8736 -30.8684 -30.8684 -12.3300 -12.3109 -12.2757 -12.2735 -11.9890 -11.9867 -11.8421 -11.8389 -11.8165 -11.7972 -11.7067 -11.7064 -6.3928 -6.3913 -6.2750 -6.2735 -4.5785 -4.5704 -4.5146 -4.5088 1.3641 1.3652 1.5997 1.6006 3.9582 4.0036 4.0391 4.0624 5.7395 5.7530 5.8926 5.9018 6.3772 6.3778 6.4314 6.4339 7.5387 7.5449 7.5450 7.5470 7.6623 7.6693 7.7701 7.7758 12.2661 12.2680 12.4186 12.4187 13.1350 13.1358 13.2375 13.2398 13.8185 13.8210 k = 0.2803 0.3007 0.6359 ( 3747 PWs) bands (ev): -30.8744 -30.8744 -30.8676 -30.8676 -12.3299 -12.3109 -12.2758 -12.2730 -11.9895 -11.9865 -11.8448 -11.8402 -11.8139 -11.7961 -11.7067 -11.7063 -6.4093 -6.4079 -6.2573 -6.2558 -4.5880 -4.5803 -4.5055 -4.4996 1.3280 1.3294 1.6344 1.6356 3.9570 4.0004 4.0541 4.0787 5.7021 5.7167 5.9119 5.9221 6.3754 6.3760 6.4486 6.4493 7.5284 7.5341 7.5396 7.5428 7.6474 7.6550 7.7805 7.7864 12.2468 12.2491 12.4472 12.4474 13.1219 13.1233 13.2607 13.2635 13.7801 13.7846 k = 0.2879 0.3088 0.6240 ( 3746 PWs) bands (ev): -30.8751 -30.8751 -30.8669 -30.8669 -12.3298 -12.3110 -12.2759 -12.2724 -11.9902 -11.9864 -11.8476 -11.8418 -11.8112 -11.7947 -11.7066 -11.7061 -6.4243 -6.4231 -6.2405 -6.2391 -4.5973 -4.5899 -4.4971 -4.4911 1.2940 1.2957 1.6673 1.6688 3.9565 3.9985 4.0719 4.0969 5.6623 5.6778 5.9309 5.9421 6.3740 6.3749 6.4664 6.4672 7.5129 7.5186 7.5345 7.5382 7.6357 7.6438 7.7880 7.7939 12.2295 12.2322 12.4757 12.4763 13.1103 13.1123 13.2851 13.2883 13.7392 13.7448 k = 0.2955 0.3169 0.6121 ( 3752 PWs) bands (ev): -30.8757 -30.8757 -30.8662 -30.8662 -12.3296 -12.3111 -12.2759 -12.2719 -11.9909 -11.9864 -11.8504 -11.8434 -11.8086 -11.7932 -11.7065 -11.7058 -6.4379 -6.4368 -6.2248 -6.2235 -4.6063 -4.5992 -4.4895 -4.4835 1.2623 1.2644 1.6982 1.7001 3.9569 3.9980 4.0920 4.1169 5.6208 5.6371 5.9492 5.9614 6.3731 6.3744 6.4848 6.4868 7.4931 7.4988 7.5293 7.5331 7.6269 7.6352 7.7925 7.7985 12.2142 12.2173 12.5037 12.5047 13.1000 13.1026 13.3104 13.3138 13.6979 13.7042 k = 0.3030 0.3250 0.6002 ( 3750 PWs) bands (ev): -30.8764 -30.8764 -30.8656 -30.8656 -12.3295 -12.3112 -12.2758 -12.2713 -11.9917 -11.9865 -11.8530 -11.8451 -11.8061 -11.7917 -11.7063 -11.7055 -6.4500 -6.4490 -6.2101 -6.2089 -4.6151 -4.6082 -4.4828 -4.4770 1.2332 1.2357 1.7271 1.7294 3.9582 3.9986 4.1139 4.1384 5.5784 5.5953 5.9666 5.9800 6.3727 6.3746 6.5037 6.5068 7.4702 7.4759 7.5239 7.5277 7.6204 7.6288 7.7941 7.8002 12.2010 12.2044 12.5308 12.5322 13.0911 13.0942 13.3362 13.3398 13.6572 13.6639 k = 0.3106 0.3332 0.5883 ( 3748 PWs) bands (ev): -30.8769 -30.8769 -30.8651 -30.8651 -12.3294 -12.3114 -12.2757 -12.2707 -11.9926 -11.9868 -11.8554 -11.8468 -11.8036 -11.7902 -11.7059 -11.7050 -6.4605 -6.4597 -6.1964 -6.1952 -4.6235 -4.6168 -4.4774 -4.4717 1.2071 1.2099 1.7539 1.7567 3.9605 4.0003 4.1375 4.1611 5.5359 5.5532 5.9830 5.9975 6.3728 6.3753 6.5228 6.5269 7.4449 7.4506 7.5182 7.5220 7.6157 7.6240 7.7931 7.7993 12.1900 12.1937 12.5566 12.5583 13.0832 13.0869 13.3622 13.3659 13.6180 13.6249 k = 0.3182 0.3413 0.5763 ( 3748 PWs) bands (ev): -30.8774 -30.8774 -30.8646 -30.8646 -12.3292 -12.3117 -12.2756 -12.2701 -11.9936 -11.9873 -11.8577 -11.8485 -11.8013 -11.7887 -11.7054 -11.7044 -6.4696 -6.4689 -6.1836 -6.1824 -4.6315 -4.6251 -4.4732 -4.4677 1.1841 1.1873 1.7785 1.7818 3.9637 4.0030 4.1622 4.1846 5.4940 5.5114 5.9980 6.0136 6.3734 6.3766 6.5418 6.5468 7.4181 7.4237 7.5123 7.5160 7.6122 7.6205 7.7897 7.7958 12.1811 12.1852 12.5807 12.5828 13.0760 13.0800 13.3880 13.3916 13.5811 13.5879 k = 0.3258 0.3494 0.5644 ( 3749 PWs) bands (ev): -30.8778 -30.8778 -30.8641 -30.8641 -12.3291 -12.3120 -12.2754 -12.2695 -11.9948 -11.9880 -11.8598 -11.8502 -11.7992 -11.7873 -11.7049 -11.7037 -6.4771 -6.4766 -6.1718 -6.1706 -4.6392 -4.6330 -4.4704 -4.4652 1.1646 1.1681 1.8009 1.8048 3.9677 4.0067 4.1876 4.2085 5.4532 5.4706 6.0113 6.0280 6.3746 6.3784 6.5602 6.5661 7.3904 7.3958 7.5063 7.5098 7.6096 7.6179 7.7841 7.7901 12.1745 12.1790 12.6029 12.6053 13.0689 13.0732 13.4130 13.4164 13.5473 13.5536 k = 0.3333 0.3575 0.5525 ( 3753 PWs) bands (ev): -30.8782 -30.8782 -30.8638 -30.8638 -12.3291 -12.3124 -12.2752 -12.2690 -11.9960 -11.9889 -11.8617 -11.8519 -11.7971 -11.7860 -11.7042 -11.7029 -6.4832 -6.4828 -6.1609 -6.1597 -4.6465 -4.6404 -4.4692 -4.4642 1.1485 1.1525 1.8211 1.8256 3.9726 4.0114 4.2132 4.2322 5.4145 5.4314 6.0225 6.0403 6.3763 6.3807 6.5779 6.5845 7.3622 7.3676 7.5002 7.5034 7.6079 7.6161 7.7765 7.7824 12.1702 12.1751 12.6230 12.6257 13.0614 13.0658 13.4361 13.4392 13.5172 13.5229 k = 0.3409 0.3657 0.5406 ( 3753 PWs) bands (ev): -30.8785 -30.8785 -30.8635 -30.8635 -12.3290 -12.3129 -12.2749 -12.2686 -11.9974 -11.9900 -11.8634 -11.8534 -11.7952 -11.7847 -11.7034 -11.7020 -6.4876 -6.4874 -6.1509 -6.1498 -4.6534 -4.6475 -4.4695 -4.4647 1.1362 1.1405 1.8390 1.8441 3.9783 4.0168 4.2385 4.2553 5.3785 5.3947 6.0314 6.0501 6.3788 6.3835 6.5944 6.6018 7.3340 7.3394 7.4941 7.4969 7.6070 7.6151 7.7674 7.7731 12.1683 12.1735 12.6409 12.6440 13.0527 13.0569 13.4554 13.4584 13.4923 13.4967 k = 0.3485 0.3738 0.5287 ( 3753 PWs) bands (ev): -30.8787 -30.8787 -30.8632 -30.8632 -12.3290 -12.3134 -12.2746 -12.2681 -11.9988 -11.9913 -11.8649 -11.8550 -11.7933 -11.7834 -11.7024 -11.7010 -6.4906 -6.4906 -6.1419 -6.1407 -4.6598 -4.6541 -4.4714 -4.4669 1.1276 1.1324 1.8546 1.8603 3.9848 4.0231 4.2629 4.2769 5.3460 5.3612 6.0375 6.0571 6.3819 6.3869 6.6095 6.6176 7.3063 7.3116 7.4880 7.4904 7.6069 7.6149 7.7571 7.7625 12.1689 12.1744 12.6567 12.6600 13.0422 13.0460 13.4634 13.4685 13.4787 13.4794 k = 0.3561 0.3819 0.5168 ( 3759 PWs) bands (ev): -30.8789 -30.8789 -30.8630 -30.8630 -12.3290 -12.3141 -12.2744 -12.2678 -12.0003 -11.9928 -11.8663 -11.8565 -11.7915 -11.7822 -11.7014 -11.6998 -6.4921 -6.4919 -6.1338 -6.1326 -4.6658 -4.6603 -4.4749 -4.4708 1.1230 1.1281 1.8678 1.8742 3.9919 4.0302 4.2856 4.2966 5.3179 5.3316 6.0406 6.0608 6.3857 6.3906 6.6227 6.6316 7.2795 7.2848 7.4820 7.4837 7.6076 7.6154 7.7459 7.7509 12.1719 12.1777 12.6703 12.6740 13.0294 13.0327 13.4522 13.4560 13.4826 13.4830 k = 0.3636 0.3900 0.5048 ( 3758 PWs) bands (ev): -30.8790 -30.8790 -30.8629 -30.8629 -12.3290 -12.3147 -12.2741 -12.2675 -12.0019 -11.9944 -11.8676 -11.8581 -11.7898 -11.7810 -11.7002 -11.6986 -6.4921 -6.4918 -6.1267 -6.1254 -4.6714 -4.6661 -4.4801 -4.4763 1.1222 1.1278 1.8787 1.8857 3.9998 4.0379 4.3060 4.3135 5.2949 5.3068 6.0406 6.0611 6.3900 6.3945 6.6338 6.6434 7.2540 7.2594 7.4760 7.4771 7.6090 7.6166 7.7343 7.7388 12.1775 12.1835 12.6819 12.6859 13.0143 13.0169 13.4424 13.4446 13.4817 13.4819 k = 0.3712 0.3982 0.4929 ( 3756 PWs) bands (ev): -30.8791 -30.8791 -30.8629 -30.8629 -12.3290 -12.3155 -12.2738 -12.2673 -12.0035 -11.9962 -11.8687 -11.8596 -11.7881 -11.7798 -11.6989 -11.6972 -6.4905 -6.4900 -6.1206 -6.1193 -4.6765 -4.6714 -4.4868 -4.4834 1.1254 1.1314 1.8871 1.8948 4.0083 4.0464 4.3235 4.3270 5.2777 5.2874 6.0372 6.0579 6.3946 6.3984 6.6424 6.6527 7.2304 7.2359 7.4702 7.4705 7.6112 7.6186 7.7226 7.7265 12.1855 12.1917 12.6915 12.6958 12.9969 12.9988 13.4370 13.4377 13.4715 13.4716 k = 0.3788 0.4063 0.4810 ( 3746 PWs) bands (ev): -30.8791 -30.8791 -30.8629 -30.8629 -12.3290 -12.3162 -12.2735 -12.2671 -12.0051 -11.9980 -11.8699 -11.8611 -11.7863 -11.7785 -11.6975 -11.6958 -6.4874 -6.4868 -6.1155 -6.1141 -4.6812 -4.6762 -4.4951 -4.4921 1.1324 1.1389 1.8930 1.9015 4.0174 4.0555 4.3368 4.3374 5.2669 5.2742 6.0307 6.0512 6.3991 6.4019 6.6480 6.6590 7.2090 7.2146 7.4639 7.4644 7.6142 7.6214 7.7113 7.7145 12.1958 12.2023 12.6991 12.7037 12.9777 12.9789 13.4348 13.4350 13.4523 13.4526 k = 0.3864 0.4144 0.4691 ( 3748 PWs) bands (ev): -30.8790 -30.8790 -30.8629 -30.8629 -12.3291 -12.3170 -12.2733 -12.2671 -12.0067 -12.0000 -11.8710 -11.8628 -11.7845 -11.7773 -11.6961 -11.6944 -6.4828 -6.4819 -6.1115 -6.1101 -4.6854 -4.6806 -4.5047 -4.5022 1.1432 1.1502 1.8965 1.9056 4.0271 4.0653 4.3424 4.3475 5.2629 5.2675 6.0209 6.0412 6.4030 6.4046 6.6504 6.6621 7.1903 7.1961 7.4573 7.4588 7.6180 7.6249 7.7007 7.7030 12.2084 12.2151 12.7044 12.7094 12.9574 12.9580 13.4220 13.4236 13.4371 13.4401 k = 0.3939 0.4225 0.4572 ( 3744 PWs) bands (ev): -30.8788 -30.8788 -30.8631 -30.8631 -12.3291 -12.3179 -12.2731 -12.2671 -12.0084 -12.0020 -11.8722 -11.8645 -11.7827 -11.7759 -11.6946 -11.6929 -6.4765 -6.4755 -6.1087 -6.1071 -4.6892 -4.6846 -4.5157 -4.5135 1.1578 1.1653 1.8974 1.9072 4.0375 4.0757 4.3440 4.3534 5.2656 5.2675 6.0082 6.0280 6.4060 6.4060 6.6493 6.6617 7.1747 7.1806 7.4508 7.4532 7.6225 7.6292 7.6911 7.6926 12.2231 12.2300 12.7072 12.7126 12.9367 12.9367 13.3896 13.3912 13.4404 13.4441 k = 0.4015 0.4307 0.4453 ( 3745 PWs) bands (ev): -30.8786 -30.8786 -30.8632 -30.8632 -12.3292 -12.3188 -12.2730 -12.2673 -12.0100 -12.0041 -11.8734 -11.8663 -11.7807 -11.7744 -11.6931 -11.6914 -6.4688 -6.4676 -6.1071 -6.1054 -4.6926 -4.6881 -4.5278 -4.5261 1.1759 1.1839 1.8958 1.9062 4.0484 4.0867 4.3417 4.3554 5.2741 5.2749 5.9928 6.0119 6.4060 6.4077 6.6445 6.6575 7.1624 7.1685 7.4442 7.4476 7.6278 7.6341 7.6829 7.6836 12.2396 12.2467 12.7071 12.7130 12.9159 12.9162 13.3533 13.3552 13.4464 13.4509 k = 0.4091 0.4388 0.4333 ( 3744 PWs) bands (ev): -30.8784 -30.8784 -30.8635 -30.8635 -12.3293 -12.3197 -12.2729 -12.2675 -12.0116 -12.0061 -11.8747 -11.8682 -11.7787 -11.7729 -11.6915 -11.6899 -6.4594 -6.4581 -6.1067 -6.1049 -4.6956 -4.6913 -4.5409 -4.5396 1.1974 1.2059 1.8915 1.9025 4.0598 4.0982 4.3361 4.3538 5.2870 5.2901 5.9747 5.9932 6.4043 6.4078 6.6358 6.6493 7.1535 7.1598 7.4374 7.4416 7.6339 7.6398 7.6763 7.6764 12.2577 12.2650 12.7037 12.7101 12.8961 12.8967 13.3160 13.3184 13.4542 13.4595 k = 0.4167 0.4469 0.4214 ( 3743 PWs) bands (ev): -30.8781 -30.8781 -30.8638 -30.8638 -12.3294 -12.3206 -12.2729 -12.2678 -12.0131 -12.0081 -11.8762 -11.8703 -11.7765 -11.7712 -11.6900 -11.6884 -6.4485 -6.4470 -6.1077 -6.1058 -4.6982 -4.6940 -4.5547 -4.5539 1.2222 1.2312 1.8847 1.8962 4.0718 4.1103 4.3279 4.3493 5.3055 5.3106 5.9544 5.9721 6.4009 6.4062 6.6232 6.6373 7.1482 7.1546 7.4301 7.4350 7.6406 7.6461 7.6711 7.6719 12.2769 12.2843 12.6964 12.7034 12.8780 12.8786 13.2794 13.2823 13.4635 13.4693 k = 0.4242 0.4551 0.4095 ( 3745 PWs) bands (ev): -30.8777 -30.8777 -30.8642 -30.8642 -12.3295 -12.3215 -12.2729 -12.2682 -12.0146 -12.0101 -11.8778 -11.8725 -11.7742 -11.7694 -11.6885 -11.6869 -6.4361 -6.4344 -6.1102 -6.1081 -4.7004 -4.6963 -4.5692 -4.5689 1.2500 1.2595 1.8751 1.8872 4.0843 4.1229 4.3179 4.3424 5.3287 5.3356 5.9320 5.9489 6.3958 6.4029 6.6069 6.6214 7.1461 7.1527 7.4220 7.4274 7.6481 7.6530 7.6684 7.6696 12.2968 12.3044 12.6849 12.6923 12.8621 12.8627 13.2448 13.2481 13.4740 13.4803 k = 0.4318 0.4632 0.3976 ( 3742 PWs) bands (ev): -30.8772 -30.8772 -30.8646 -30.8646 -12.3295 -12.3223 -12.2730 -12.2686 -12.0160 -12.0120 -11.8795 -11.8748 -11.7718 -11.7675 -11.6870 -11.6855 -6.4221 -6.4203 -6.1141 -6.1119 -4.7022 -4.6983 -4.5842 -4.5841 1.2806 1.2905 1.8630 1.8755 4.0972 4.1359 4.3068 4.3341 5.3560 5.3642 5.9079 5.9239 6.3893 6.3981 6.5870 6.6020 7.1472 7.1538 7.4126 7.4183 7.6563 7.6601 7.6686 7.6696 12.3168 12.3246 12.6690 12.6768 12.8488 12.8493 13.2124 13.2159 13.4857 13.4922 k = 0.4394 0.4713 0.3857 ( 3742 PWs) bands (ev): -30.8767 -30.8767 -30.8651 -30.8651 -12.3295 -12.3232 -12.2731 -12.2692 -12.0173 -12.0139 -11.8814 -11.8773 -11.7692 -11.7654 -11.6855 -11.6841 -6.4066 -6.4046 -6.1197 -6.1174 -4.7038 -4.6999 -4.5996 -4.5991 1.3138 1.3242 1.8482 1.8611 4.1106 4.1492 4.2953 4.3249 5.3864 5.3955 5.8821 5.8974 6.3816 6.3922 6.5639 6.5793 7.1510 7.1575 7.4017 7.4074 7.6651 7.6665 7.6722 7.6729 12.3364 12.3443 12.6490 12.6570 12.8387 12.8390 13.1815 13.1850 13.4987 13.5054 k = 0.4470 0.4794 0.3738 ( 3748 PWs) bands (ev): -30.8762 -30.8762 -30.8657 -30.8657 -12.3295 -12.3240 -12.2732 -12.2698 -12.0186 -12.0156 -11.8834 -11.8799 -11.7666 -11.7633 -11.6841 -11.6828 -6.3896 -6.3874 -6.1269 -6.1245 -4.7050 -4.7012 -4.6150 -4.6141 1.3493 1.3601 1.8307 1.8440 4.1244 4.1629 4.2841 4.3155 5.4192 5.4289 5.8551 5.8695 6.3731 6.3853 6.5380 6.5538 7.1570 7.1634 7.3887 7.3943 7.6727 7.6743 7.6774 7.6807 12.3551 12.3631 12.6252 12.6333 12.8320 12.8321 13.1509 13.1543 13.5132 13.5199 k = 0.4545 0.4876 0.3618 ( 3748 PWs) bands (ev): -30.8756 -30.8756 -30.8663 -30.8663 -12.3295 -12.3248 -12.2734 -12.2705 -12.0197 -12.0172 -11.8856 -11.8827 -11.7638 -11.7610 -11.6828 -11.6816 -6.3711 -6.3687 -6.1359 -6.1334 -4.7059 -4.7023 -4.6302 -4.6288 1.3868 1.3981 1.8107 1.8242 4.1386 4.1767 4.2739 4.3065 5.4535 5.4636 5.8271 5.8407 6.3644 6.3780 6.5098 6.5260 7.1648 7.1711 7.3734 7.3788 7.6803 7.6833 7.6859 7.6900 12.3721 12.3802 12.5987 12.6067 12.8288 12.8290 13.1194 13.1224 13.5295 13.5361 k = 0.4621 0.4957 0.3499 ( 3738 PWs) bands (ev): -30.8749 -30.8749 -30.8669 -30.8669 -12.3294 -12.3255 -12.2736 -12.2712 -12.0206 -12.0186 -11.8879 -11.8855 -11.7609 -11.7586 -11.6814 -11.6805 -6.3510 -6.3486 -6.1468 -6.1441 -4.7066 -4.7031 -4.6448 -4.6431 1.4261 1.4379 1.7882 1.8019 4.1531 4.1905 4.2651 4.2983 5.4886 5.4989 5.7982 5.8111 6.3557 6.3706 6.4798 6.4965 7.1739 7.1799 7.3556 7.3607 7.6899 7.6929 7.6964 7.7003 12.3872 12.3952 12.5702 12.5781 12.8294 12.8298 13.0855 13.0881 13.5479 13.5543 k = 0.4697 0.5038 0.3380 ( 3730 PWs) bands (ev): -30.8742 -30.8742 -30.8676 -30.8676 -12.3292 -12.3261 -12.2739 -12.2719 -12.0215 -12.0199 -11.8904 -11.8885 -11.7580 -11.7561 -11.6802 -11.6794 -6.3295 -6.3269 -6.1594 -6.1566 -4.7071 -4.7037 -4.6588 -4.6567 1.4670 1.4791 1.7633 1.7770 4.1678 4.2036 4.2585 4.2912 5.5238 5.5341 5.7689 5.7810 6.3475 6.3634 6.4488 6.4659 7.1839 7.1895 7.3351 7.3398 7.7013 7.7040 7.7079 7.7112 12.4000 12.4079 12.5407 12.5485 12.8337 12.8343 13.0487 13.0508 13.5688 13.5749 k = 0.4773 0.5119 0.3261 ( 3728 PWs) bands (ev): -30.8734 -30.8734 -30.8683 -30.8683 -12.3289 -12.3267 -12.2742 -12.2727 -12.0222 -12.0210 -11.8929 -11.8916 -11.7550 -11.7537 -11.6791 -11.6785 -6.3065 -6.3038 -6.1740 -6.1711 -4.7075 -4.7041 -4.6719 -4.6695 1.5091 1.5215 1.7360 1.7498 4.1827 4.2148 4.2554 4.2855 5.5584 5.5686 5.7394 5.7507 6.3400 6.3569 6.4173 6.4348 7.1942 7.1994 7.3118 7.3162 7.7141 7.7164 7.7200 7.7228 12.4103 12.4180 12.5111 12.5187 12.8415 12.8422 13.0092 13.0108 13.5926 13.5982 k = 0.4848 0.5201 0.3142 ( 3732 PWs) bands (ev): -30.8726 -30.8726 -30.8691 -30.8691 -12.3287 -12.3272 -12.2745 -12.2735 -12.0227 -12.0220 -11.8957 -11.8948 -11.7520 -11.7511 -11.6781 -11.6777 -6.2821 -6.2793 -6.1905 -6.1875 -4.7078 -4.7046 -4.6838 -4.6813 1.5521 1.5649 1.7065 1.7202 4.1975 4.2221 4.2580 4.2814 5.5916 5.6015 5.7100 5.7206 6.3337 6.3510 6.3865 6.4040 7.2045 7.2092 7.2857 7.2898 7.7280 7.7298 7.7329 7.7350 12.4183 12.4258 12.4822 12.4895 12.8522 12.8531 12.9674 12.9688 13.6193 13.6239 k = 0.4924 0.5282 0.3023 ( 3736 PWs) bands (ev): -30.8718 -30.8718 -30.8700 -30.8700 -12.3283 -12.3276 -12.2749 -12.2744 -12.0231 -12.0228 -11.8985 -11.8980 -11.7490 -11.7486 -11.6772 -11.6770 -6.2563 -6.2533 -6.2088 -6.2058 -4.7083 -4.7058 -4.6939 -4.6917 1.5958 1.6087 1.6752 1.6886 4.2120 4.2251 4.2667 4.2791 5.6225 5.6319 5.6814 5.6911 6.3286 6.3441 6.3589 6.3745 7.2142 7.2184 7.2571 7.2609 7.7427 7.7437 7.7466 7.7478 12.4242 12.4313 12.4547 12.4616 12.8652 12.8662 12.9244 12.9255 13.6495 13.6513 k = 0.5000 0.5363 0.2903 ( 3736 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3279 -12.3279 -12.2752 -12.2752 -12.0234 -12.0234 -11.9014 -11.9014 -11.7460 -11.7460 -11.6764 -11.6764 -6.2290 -6.2290 -6.2260 -6.2260 -4.7098 -4.7098 -4.6999 -4.6999 1.6377 1.6377 1.6571 1.6571 4.2260 4.2260 4.2788 4.2788 5.6475 5.6475 5.6652 5.6652 6.3244 6.3244 6.3477 6.3477 7.2203 7.2203 7.2324 7.2324 7.7577 7.7577 7.7611 7.7611 12.4280 12.4280 12.4360 12.4360 12.8770 12.8770 12.8851 12.8851 13.6829 13.6830 k = 0.5000 0.5363 0.2903 ( 3736 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3279 -12.3279 -12.2752 -12.2752 -12.0234 -12.0234 -11.9014 -11.9014 -11.7460 -11.7460 -11.6764 -11.6764 -6.2290 -6.2290 -6.2260 -6.2260 -4.7098 -4.7098 -4.6999 -4.6999 1.6377 1.6377 1.6571 1.6571 4.2260 4.2260 4.2788 4.2788 5.6475 5.6475 5.6652 5.6652 6.3244 6.3244 6.3477 6.3477 7.2203 7.2203 7.2324 7.2324 7.7577 7.7577 7.7611 7.7611 12.4280 12.4280 12.4360 12.4360 12.8770 12.8770 12.8851 12.8851 13.6829 13.6829 k = 0.5000 0.5363 0.2742 ( 3740 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3276 -12.3276 -12.2761 -12.2761 -12.0237 -12.0237 -11.9057 -11.9057 -11.7423 -11.7423 -11.6757 -11.6757 -6.2246 -6.2246 -6.2215 -6.2215 -4.7156 -4.7156 -4.7059 -4.7059 1.6439 1.6439 1.6631 1.6631 4.2369 4.2369 4.2891 4.2891 5.6445 5.6445 5.6626 5.6626 6.3061 6.3061 6.3299 6.3299 7.2025 7.2025 7.2146 7.2146 7.7782 7.7782 7.7812 7.7812 12.4138 12.4138 12.4215 12.4215 12.8579 12.8579 12.8657 12.8657 13.7332 13.7333 k = 0.5000 0.5363 0.2581 ( 3734 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3272 -12.3272 -12.2771 -12.2771 -12.0237 -12.0237 -11.9103 -11.9103 -11.7384 -11.7384 -11.6751 -11.6751 -6.2206 -6.2206 -6.2175 -6.2175 -4.7207 -4.7207 -4.7111 -4.7111 1.6488 1.6488 1.6676 1.6676 4.2501 4.2501 4.3016 4.3016 5.6385 5.6385 5.6570 5.6570 6.2911 6.2911 6.3154 6.3154 7.1822 7.1822 7.1942 7.1942 7.8000 7.8000 7.8028 7.8028 12.4002 12.4002 12.4076 12.4076 12.8382 12.8382 12.8455 12.8455 13.7899 13.7935 k = 0.5000 0.5363 0.2420 ( 3752 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3267 -12.3267 -12.2782 -12.2782 -12.0235 -12.0235 -11.9151 -11.9151 -11.7346 -11.7346 -11.6747 -11.6747 -6.2171 -6.2171 -6.2139 -6.2139 -4.7250 -4.7250 -4.7157 -4.7157 1.6525 1.6525 1.6708 1.6708 4.2655 4.2655 4.3161 4.3161 5.6292 5.6292 5.6482 5.6482 6.2799 6.2799 6.3046 6.3046 7.1593 7.1593 7.1713 7.1713 7.8228 7.8228 7.8253 7.8253 12.3873 12.3873 12.3944 12.3944 12.8181 12.8181 12.8250 12.8250 13.8504 13.8535 k = 0.5000 0.5363 0.2258 ( 3752 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3260 -12.3260 -12.2794 -12.2794 -12.0229 -12.0229 -11.9199 -11.9199 -11.7308 -11.7308 -11.6744 -11.6744 -6.2140 -6.2140 -6.2108 -6.2108 -4.7286 -4.7286 -4.7197 -4.7197 1.6551 1.6551 1.6728 1.6728 4.2829 4.2829 4.3324 4.3324 5.6166 5.6166 5.6361 5.6361 6.2730 6.2730 6.2980 6.2980 7.1341 7.1341 7.1462 7.1462 7.8461 7.8461 7.8484 7.8484 12.3754 12.3754 12.3821 12.3821 12.7979 12.7979 12.8043 12.8043 13.9152 13.9184 k = 0.5000 0.5363 0.2097 ( 3754 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3252 -12.3252 -12.2807 -12.2807 -12.0221 -12.0221 -11.9248 -11.9248 -11.7271 -11.7271 -11.6743 -11.6743 -6.2112 -6.2112 -6.2081 -6.2081 -4.7316 -4.7316 -4.7230 -4.7230 1.6567 1.6567 1.6737 1.6737 4.3021 4.3021 4.3502 4.3502 5.6009 5.6009 5.6209 5.6209 6.2706 6.2706 6.2957 6.2957 7.1069 7.1069 7.1191 7.1191 7.8696 7.8696 7.8717 7.8717 12.3645 12.3645 12.3709 12.3709 12.7781 12.7781 12.7839 12.7839 13.9866 13.9896 k = 0.5000 0.5363 0.1936 ( 3756 PWs) bands (ev): -30.8709 -30.8709 -30.8709 -30.8709 -12.3242 -12.3242 -12.2821 -12.2821 -12.0210 -12.0210 -11.9298 -11.9298 -11.7234 -11.7234 -11.6743 -11.6743 -6.2089 -6.2089 -6.2058 -6.2058 -4.7339 -4.7339 -4.7257 -4.7257 1.6574 1.6574 1.6736 1.6736 4.3228 4.3228 4.3692 4.3692 5.5825 5.5825 5.6027 5.6027 6.2726 6.2726 6.2977 6.2977 7.0779 7.0779 7.0902 7.0902 7.8929 7.8929 7.8949 7.8949 12.3547 12.3547 12.3607 12.3607 12.7586 12.7586 12.7640 12.7640 14.0564 14.0580 k = 0.5000 0.5363 0.1774 ( 3756 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3231 -12.3231 -12.2836 -12.2836 -12.0196 -12.0196 -11.9349 -11.9349 -11.7197 -11.7197 -11.6745 -11.6745 -6.2069 -6.2069 -6.2040 -6.2040 -4.7356 -4.7356 -4.7280 -4.7280 1.6575 1.6575 1.6727 1.6727 4.3446 4.3446 4.3892 4.3892 5.5618 5.5618 5.5821 5.5821 6.2789 6.2789 6.3037 6.3037 7.0474 7.0474 7.0598 7.0598 7.9157 7.9157 7.9175 7.9175 12.3460 12.3460 12.3516 12.3516 12.7397 12.7397 12.7446 12.7446 14.1311 14.1335 k = 0.5000 0.5363 0.1613 ( 3752 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3218 -12.3218 -12.2851 -12.2851 -12.0179 -12.0179 -11.9399 -11.9399 -11.7162 -11.7162 -11.6749 -11.6749 -6.2052 -6.2052 -6.2024 -6.2024 -4.7369 -4.7369 -4.7297 -4.7297 1.6570 1.6570 1.6711 1.6711 4.3674 4.3674 4.4098 4.4098 5.5395 5.5395 5.5596 5.5596 6.2890 6.2890 6.3134 6.3134 7.0158 7.0158 7.0283 7.0283 7.9376 7.9376 7.9392 7.9392 12.3384 12.3384 12.3437 12.3437 12.7216 12.7216 12.7259 12.7259 14.2071 14.2097 k = 0.5000 0.5363 0.1452 ( 3756 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3204 -12.3204 -12.2868 -12.2868 -12.0160 -12.0160 -11.9450 -11.9450 -11.7127 -11.7127 -11.6754 -11.6754 -6.2038 -6.2038 -6.2012 -6.2012 -4.7377 -4.7377 -4.7311 -4.7311 1.6560 1.6560 1.6690 1.6690 4.3906 4.3906 4.4305 4.4305 5.5163 5.5163 5.5359 5.5359 6.3025 6.3025 6.3262 6.3262 6.9834 6.9834 6.9960 6.9960 7.9583 7.9583 7.9598 7.9598 12.3319 12.3319 12.3368 12.3368 12.7043 12.7043 12.7081 12.7081 14.2827 14.2859 k = 0.5000 0.5363 0.1290 ( 3758 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3189 -12.3189 -12.2885 -12.2885 -12.0137 -12.0137 -11.9500 -11.9500 -11.7094 -11.7094 -11.6761 -11.6761 -6.2027 -6.2027 -6.2003 -6.2003 -4.7381 -4.7381 -4.7321 -4.7321 1.6548 1.6548 1.6665 1.6665 4.4138 4.4138 4.4509 4.4509 5.4928 5.4928 5.5117 5.5117 6.3189 6.3189 6.3417 6.3417 6.9506 6.9506 6.9632 6.9632 7.9776 7.9776 7.9789 7.9789 12.3266 12.3266 12.3310 12.3310 12.6882 12.6882 12.6915 12.6915 14.3584 14.3600 k = 0.5000 0.5363 0.1129 ( 3752 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3173 -12.3173 -12.2903 -12.2903 -12.0112 -12.0112 -11.9550 -11.9550 -11.7062 -11.7062 -11.6770 -11.6770 -6.2018 -6.2018 -6.1996 -6.1996 -4.7382 -4.7382 -4.7329 -4.7329 1.6534 1.6534 1.6638 1.6638 4.4366 4.4366 4.4705 4.4705 5.4699 5.4699 5.4877 5.4877 6.3376 6.3376 6.3593 6.3593 6.9180 6.9180 6.9305 6.9305 7.9952 7.9952 7.9964 7.9964 12.3223 12.3223 12.3263 12.3263 12.6732 12.6732 12.6761 12.6761 14.4336 14.4379 k = 0.5000 0.5363 0.0968 ( 3756 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3156 -12.3156 -12.2922 -12.2922 -12.0085 -12.0085 -11.9599 -11.9599 -11.7032 -11.7032 -11.6780 -11.6780 -6.2010 -6.2010 -6.1991 -6.1991 -4.7382 -4.7382 -4.7335 -4.7335 1.6520 1.6520 1.6611 1.6611 4.4586 4.4586 4.4888 4.4888 5.4482 5.4482 5.4646 5.4646 6.3579 6.3579 6.3783 6.3783 6.8860 6.8860 6.8983 6.8983 8.0109 8.0109 8.0119 8.0119 12.3190 12.3190 12.3224 12.3224 12.6597 12.6597 12.6621 12.6621 14.5035 14.5061 k = 0.5000 0.5363 0.0807 ( 3754 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3139 -12.3139 -12.2942 -12.2942 -12.0055 -12.0055 -11.9648 -11.9648 -11.7002 -11.7002 -11.6793 -11.6793 -6.2004 -6.2004 -6.1988 -6.1988 -4.7379 -4.7379 -4.7340 -4.7340 1.6507 1.6507 1.6584 1.6584 4.4790 4.4790 4.5052 4.5052 5.4285 5.4285 5.4431 5.4431 6.3792 6.3792 6.3978 6.3978 6.8555 6.8555 6.8673 6.8673 8.0246 8.0246 8.0254 8.0254 12.3165 12.3165 12.3195 12.3195 12.6477 12.6477 12.6497 12.6497 14.5658 14.5671 k = 0.5000 0.5363 0.0645 ( 3762 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3120 -12.3120 -12.2961 -12.2961 -12.0023 -12.0023 -11.9696 -11.9696 -11.6974 -11.6974 -11.6806 -11.6806 -6.2000 -6.2000 -6.1986 -6.1986 -4.7375 -4.7375 -4.7343 -4.7343 1.6497 1.6497 1.6559 1.6559 4.4974 4.4974 4.5191 4.5191 5.4116 5.4116 5.4239 5.4239 6.4004 6.4004 6.4168 6.4168 6.8274 6.8274 6.8383 6.8383 8.0360 8.0360 8.0366 8.0366 12.3148 12.3148 12.3172 12.3172 12.6376 12.6376 12.6392 12.6392 14.6134 14.6140 k = 0.5000 0.5363 0.0484 ( 3770 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3102 -12.3102 -12.2982 -12.2982 -11.9989 -11.9989 -11.9742 -11.9742 -11.6948 -11.6948 -11.6822 -11.6822 -6.1996 -6.1996 -6.1986 -6.1986 -4.7371 -4.7371 -4.7347 -4.7347 1.6490 1.6490 1.6536 1.6536 4.5132 4.5132 4.5299 4.5299 5.3980 5.3980 5.4077 5.4077 6.4203 6.4203 6.4339 6.4339 6.8031 6.8031 6.8125 6.8125 8.0450 8.0450 8.0455 8.0455 12.3137 12.3137 12.3156 12.3156 12.6295 12.6295 12.6306 12.6306 14.6386 14.6389 k = 0.5000 0.5363 0.0323 ( 3778 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3083 -12.3083 -12.3002 -12.3002 -11.9953 -11.9953 -11.9788 -11.9788 -11.6923 -11.6923 -11.6839 -11.6839 -6.1993 -6.1993 -6.1986 -6.1986 -4.7366 -4.7366 -4.7350 -4.7350 1.6486 1.6486 1.6517 1.6517 4.5258 4.5258 4.5372 4.5372 5.3884 5.3884 5.3951 5.3951 6.4376 6.4376 6.4474 6.4474 6.7843 6.7843 6.7913 6.7913 8.0515 8.0515 8.0518 8.0518 12.3131 12.3131 12.3144 12.3144 12.6236 12.6236 12.6243 12.6243 14.6507 14.6513 k = 0.5000 0.5363 0.0161 ( 3778 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3063 -12.3063 -12.3023 -12.3023 -11.9914 -11.9914 -11.9832 -11.9832 -11.6899 -11.6899 -11.6857 -11.6857 -6.1990 -6.1990 -6.1987 -6.1987 -4.7362 -4.7362 -4.7353 -4.7353 1.6487 1.6487 1.6503 1.6503 4.5347 4.5347 4.5405 4.5405 5.3832 5.3832 5.3866 5.3866 6.4502 6.4502 6.4555 6.4555 6.7728 6.7728 6.7766 6.7766 8.0555 8.0555 8.0557 8.0557 12.3130 12.3130 12.3136 12.3136 12.6200 12.6200 12.6204 12.6204 14.6574 14.6597 k = 0.5000 0.5363-0.0000 ( 3758 PWs) bands (ev): -30.8708 -30.8708 -30.8708 -30.8708 -12.3042 -12.3042 -12.3042 -12.3042 -11.9873 -11.9873 -11.9873 -11.9873 -11.6877 -11.6877 -11.6877 -11.6877 -6.1988 -6.1988 -6.1988 -6.1988 -4.7357 -4.7357 -4.7357 -4.7357 1.6492 1.6492 1.6492 1.6492 4.5397 4.5397 4.5397 4.5397 5.3826 5.3826 5.3826 5.3826 6.4566 6.4566 6.4566 6.4566 6.7701 6.7701 6.7701 6.7701 8.0569 8.0569 8.0569 8.0569 12.3132 12.3132 12.3132 12.3132 12.6190 12.6190 12.6190 12.6190 14.6603 14.6603 k = 0.0000 0.0000 0.6836 ( 3752 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3027 -12.3027 -12.2851 -12.2851 -11.9474 -11.9474 -11.9324 -11.9324 -11.7371 -11.7371 -11.7322 -11.7322 -6.3515 -6.3515 -6.3473 -6.3473 -4.5193 -4.5193 -4.5111 -4.5111 1.3617 1.3617 1.3666 1.3666 4.4204 4.4204 4.4591 4.4591 5.4684 5.4684 5.4764 5.4764 6.4709 6.4709 6.4926 6.4926 7.5517 7.5517 7.5543 7.5543 7.5765 7.5765 7.5812 7.5812 12.3744 12.3744 12.3755 12.3755 13.5966 13.5966 13.5972 13.5972 13.9411 13.9417 k = 0.0114 0.0122 0.6836 ( 3752 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3045 -12.3008 -12.2867 -12.2836 -11.9516 -11.9430 -11.9367 -11.9280 -11.7399 -11.7347 -11.7344 -11.7298 -6.3514 -6.3514 -6.3473 -6.3472 -4.5200 -4.5188 -4.5114 -4.5111 1.3613 1.3632 1.3662 1.3680 4.4151 4.4202 4.4551 4.4575 5.4698 5.4718 5.4769 5.4808 6.4696 6.4713 6.4919 6.4925 7.5479 7.5524 7.5541 7.5548 7.5777 7.5789 7.5790 7.5858 12.3743 12.3747 12.3753 12.3758 13.5916 13.5922 13.5932 13.5934 13.9372 13.9396 k = 0.0227 0.0244 0.6836 ( 3752 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3064 -12.2990 -12.2883 -12.2822 -11.9556 -11.9408 -11.9384 -11.9234 -11.7428 -11.7373 -11.7318 -11.7276 -6.3511 -6.3511 -6.3471 -6.3469 -4.5210 -4.5187 -4.5119 -4.5114 1.3621 1.3659 1.3670 1.3706 4.4044 4.4144 4.4455 4.4503 5.4760 5.4798 5.4822 5.4899 6.4677 6.4711 6.4905 6.4917 7.5441 7.5494 7.5522 7.5558 7.5802 7.5821 7.5838 7.5917 12.3744 12.3752 12.3754 12.3764 13.5787 13.5789 13.5813 13.5817 13.9273 13.9303 k = 0.0341 0.0366 0.6836 ( 3756 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3082 -12.2973 -12.2899 -12.2809 -11.9594 -11.9449 -11.9337 -11.9188 -11.7459 -11.7400 -11.7294 -11.7255 -6.3507 -6.3507 -6.3468 -6.3465 -4.5222 -4.5188 -4.5127 -4.5120 1.3639 1.3688 1.3697 1.3743 4.3887 4.4034 4.4309 4.4379 5.4866 5.4919 5.4921 5.5032 6.4651 6.4702 6.4883 6.4901 7.5407 7.5464 7.5496 7.5549 7.5848 7.5885 7.5902 7.5987 12.3747 12.3755 12.3758 12.3771 13.5589 13.5593 13.5621 13.5634 13.9129 13.9148 k = 0.0455 0.0488 0.6836 ( 3760 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3101 -12.2956 -12.2916 -12.2796 -11.9630 -11.9487 -11.9288 -11.9141 -11.7492 -11.7429 -11.7271 -11.7234 -6.3502 -6.3502 -6.3463 -6.3460 -4.5237 -4.5192 -4.5138 -4.5128 1.3669 1.3717 1.3745 1.3789 4.3686 4.3878 4.4118 4.4206 5.5012 5.5057 5.5080 5.5203 6.4618 6.4686 6.4853 6.4877 7.5379 7.5438 7.5471 7.5531 7.5916 7.5962 7.5975 7.6064 12.3749 12.3757 12.3764 12.3778 13.5338 13.5350 13.5376 13.5397 13.8954 13.8963 k = 0.0568 0.0609 0.6836 ( 3764 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3119 -12.2939 -12.2933 -12.2785 -11.9664 -11.9524 -11.9238 -11.9092 -11.7525 -11.7458 -11.7249 -11.7216 -6.3495 -6.3495 -6.3457 -6.3453 -4.5255 -4.5198 -4.5151 -4.5139 1.3708 1.3756 1.3803 1.3846 4.3448 4.3680 4.3889 4.3994 5.5193 5.5228 5.5271 5.5405 6.4579 6.4663 6.4817 6.4848 7.5358 7.5417 7.5450 7.5513 7.5997 7.6047 7.6055 7.6146 12.3751 12.3758 12.3770 12.3785 13.5055 13.5073 13.5095 13.5125 13.8754 13.8758 k = 0.0682 0.0731 0.6836 ( 3762 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3137 -12.2949 -12.2923 -12.2774 -11.9695 -11.9559 -11.9186 -11.9043 -11.7560 -11.7489 -11.7229 -11.7198 -6.3487 -6.3487 -6.3450 -6.3445 -4.5274 -4.5207 -4.5166 -4.5151 1.3757 1.3804 1.3870 1.3911 4.3180 4.3449 4.3630 4.3748 5.5402 5.5427 5.5486 5.5632 6.4534 6.4634 6.4773 6.4811 7.5343 7.5402 7.5434 7.5497 7.6086 7.6138 7.6140 7.6234 12.3751 12.3757 12.3774 12.3790 13.4755 13.4778 13.4794 13.4831 13.8541 13.8555 k = 0.0795 0.0853 0.6836 ( 3762 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3154 -12.2965 -12.2907 -12.2765 -11.9723 -11.9592 -11.9134 -11.8993 -11.7596 -11.7520 -11.7209 -11.7181 -6.3478 -6.3478 -6.3442 -6.3436 -4.5295 -4.5217 -4.5183 -4.5166 1.3814 1.3860 1.3945 1.3984 4.2889 4.3193 4.3348 4.3476 5.5633 5.5646 5.5718 5.5876 6.4484 6.4600 6.4723 6.4769 7.5334 7.5394 7.5423 7.5485 7.6181 7.6229 7.6233 7.6325 12.3747 12.3752 12.3775 12.3792 13.4449 13.4476 13.4485 13.4528 13.8331 13.8352 k = 0.0909 0.0975 0.6836 ( 3762 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3171 -12.2981 -12.2892 -12.2756 -11.9750 -11.9624 -11.9080 -11.8943 -11.7634 -11.7553 -11.7191 -11.7166 -6.3468 -6.3467 -6.3434 -6.3427 -4.5317 -4.5230 -4.5201 -4.5182 1.3879 1.3923 1.4027 1.4063 4.2582 4.2917 4.3050 4.3187 5.5878 5.5878 5.5963 5.6131 6.4429 6.4560 6.4668 6.4722 7.5331 7.5391 7.5418 7.5477 7.6279 7.6320 7.6330 7.6418 12.3738 12.3742 12.3771 12.3789 13.4147 13.4175 13.4178 13.4224 13.8136 13.8162 k = 0.1023 0.1097 0.6836 ( 3750 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3187 -12.2997 -12.2877 -12.2749 -11.9773 -11.9654 -11.9025 -11.8892 -11.7672 -11.7587 -11.7174 -11.7151 -6.3457 -6.3456 -6.3424 -6.3416 -4.5341 -4.5243 -4.5221 -4.5200 1.3949 1.3991 1.4115 1.4148 4.2267 4.2631 4.2744 4.2886 5.6119 5.6133 5.6214 5.6392 6.4370 6.4517 6.4607 6.4671 7.5333 7.5394 7.5417 7.5474 7.6379 7.6413 7.6429 7.6512 12.3723 12.3727 12.3762 12.3781 13.3854 13.3880 13.3883 13.3927 13.7963 13.7992 k = 0.1136 0.1219 0.6836 ( 3742 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3203 -12.3012 -12.2863 -12.2742 -11.9795 -11.9681 -11.8970 -11.8841 -11.7712 -11.7621 -11.7159 -11.7137 -6.3446 -6.3445 -6.3415 -6.3405 -4.5364 -4.5258 -4.5241 -4.5219 1.4024 1.4064 1.4206 1.4237 4.1949 4.2339 4.2435 4.2582 5.6363 5.6393 5.6466 5.6653 6.4308 6.4470 6.4542 6.4616 7.5340 7.5401 7.5420 7.5475 7.6480 7.6505 7.6528 7.6605 12.3702 12.3705 12.3746 12.3765 13.3575 13.3594 13.3602 13.3640 13.7821 13.7850 k = 0.1250 0.1341 0.6836 ( 3734 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3217 -12.3026 -12.2850 -12.2737 -11.9814 -11.9708 -11.8914 -11.8790 -11.7753 -11.7656 -11.7144 -11.7125 -6.3434 -6.3433 -6.3405 -6.3394 -4.5388 -4.5273 -4.5262 -4.5238 1.4102 1.4139 1.4300 1.4327 4.1635 4.2048 4.2130 4.2279 5.6604 5.6651 5.6715 5.6909 6.4245 6.4420 6.4473 6.4558 7.5350 7.5412 7.5427 7.5478 7.6580 7.6595 7.6625 7.6698 12.3674 12.3676 12.3724 12.3744 13.3313 13.3325 13.3338 13.3368 13.7717 13.7741 k = 0.1364 0.1463 0.6836 ( 3742 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3231 -12.3039 -12.2838 -12.2733 -11.9831 -11.9732 -11.8858 -11.8740 -11.7795 -11.7692 -11.7131 -11.7114 -6.3423 -6.3421 -6.3395 -6.3383 -4.5412 -4.5289 -4.5282 -4.5257 1.4181 1.4216 1.4394 1.4418 4.1329 4.1764 4.1833 4.1983 5.6838 5.6905 5.6956 5.7157 6.4180 6.4368 6.4401 6.4499 7.5363 7.5425 7.5437 7.5484 7.6676 7.6683 7.6719 7.6787 12.3639 12.3641 12.3695 12.3716 13.3068 13.3074 13.3090 13.3113 13.7653 13.7672 k = 0.1477 0.1585 0.6836 ( 3750 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3245 -12.3052 -12.2826 -12.2731 -11.9846 -11.9755 -11.8802 -11.8690 -11.7839 -11.7729 -11.7120 -11.7105 -6.3412 -6.3409 -6.3385 -6.3373 -4.5435 -4.5304 -4.5302 -4.5276 1.4259 1.4292 1.4486 1.4508 4.1037 4.1491 4.1549 4.1700 5.7062 5.7149 5.7186 5.7392 6.4117 6.4316 6.4328 6.4439 7.5378 7.5441 7.5448 7.5492 7.6767 7.6769 7.6809 7.6872 12.3599 12.3600 12.3661 12.3682 13.2842 13.2843 13.2861 13.2875 13.7633 13.7643 k = 0.1591 0.1706 0.6836 ( 3754 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3256 -12.3064 -12.2815 -12.2729 -11.9858 -11.9776 -11.8747 -11.8641 -11.7884 -11.7767 -11.7109 -11.7096 -6.3401 -6.3398 -6.3376 -6.3362 -4.5457 -4.5322 -4.5319 -4.5294 1.4336 1.4365 1.4576 1.4594 4.0763 4.1235 4.1283 4.1434 5.7272 5.7382 5.7402 5.7612 6.4055 6.4254 6.4264 6.4380 7.5394 7.5457 7.5462 7.5501 7.6846 7.6857 7.6893 7.6952 12.3556 12.3556 12.3624 12.3644 13.2632 13.2636 13.2651 13.2657 13.7659 13.7660 k = 0.1705 0.1828 0.6836 ( 3744 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3266 -12.3074 -12.2804 -12.2728 -11.9867 -11.9795 -11.8690 -11.8592 -11.7929 -11.7804 -11.7100 -11.7088 -6.3391 -6.3387 -6.3368 -6.3352 -4.5478 -4.5340 -4.5333 -4.5311 1.4409 1.4435 1.4661 1.4676 4.0511 4.0999 4.1038 4.1189 5.7465 5.7599 5.7600 5.7812 6.3997 6.4181 6.4214 6.4323 7.5411 7.5474 7.5476 7.5511 7.6918 7.6937 7.6970 7.7025 12.3511 12.3511 12.3584 12.3604 13.2443 13.2451 13.2460 13.2462 13.7721 13.7729 k = 0.1818 0.1950 0.6836 ( 3748 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3276 -12.3083 -12.2794 -12.2729 -11.9875 -11.9812 -11.8635 -11.8546 -11.7976 -11.7841 -11.7092 -11.7082 -6.3381 -6.3377 -6.3360 -6.3344 -4.5496 -4.5356 -4.5346 -4.5327 1.4476 1.4499 1.4738 1.4751 4.0284 4.0787 4.0819 4.0969 5.7639 5.7779 5.7797 5.7990 6.3944 6.4110 6.4167 6.4270 7.5427 7.5490 7.5491 7.5520 7.6983 7.7010 7.7039 7.7091 12.3465 12.3466 12.3544 12.3564 13.2275 13.2285 13.2286 13.2295 13.7822 13.7832 k = 0.1932 0.2072 0.6836 ( 3746 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3284 -12.3091 -12.2785 -12.2730 -11.9880 -11.9827 -11.8580 -11.8502 -11.8023 -11.7877 -11.7085 -11.7077 -6.3373 -6.3368 -6.3354 -6.3336 -4.5512 -4.5371 -4.5357 -4.5342 1.4537 1.4556 1.4807 1.4817 4.0087 4.0602 4.0628 4.0777 5.7791 5.7935 5.7974 5.8142 6.3899 6.4044 6.4124 6.4221 7.5442 7.5503 7.5506 7.5529 7.7040 7.7074 7.7098 7.7148 12.3422 12.3423 12.3506 12.3526 13.2131 13.2133 13.2144 13.2151 13.7961 13.7969 k = 0.2045 0.2194 0.6836 ( 3746 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3290 -12.3097 -12.2777 -12.2732 -11.9884 -11.9841 -11.8526 -11.8461 -11.8070 -11.7911 -11.7079 -11.7072 -6.3366 -6.3360 -6.3348 -6.3329 -4.5526 -4.5383 -4.5366 -4.5354 1.4589 1.4605 1.4866 1.4874 3.9922 4.0447 4.0467 4.0616 5.7918 5.8066 5.8127 5.8267 6.3862 6.3983 6.4087 6.4179 7.5455 7.5516 7.5520 7.5537 7.7088 7.7128 7.7148 7.7197 12.3384 12.3385 12.3471 12.3491 13.2007 13.2011 13.2026 13.2030 13.8124 13.8136 k = 0.2159 0.2316 0.6836 ( 3754 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3295 -12.3102 -12.2769 -12.2735 -11.9885 -11.9853 -11.8474 -11.8425 -11.8117 -11.7942 -11.7074 -11.7069 -6.3361 -6.3353 -6.3344 -6.3324 -4.5537 -4.5393 -4.5373 -4.5364 1.4631 1.4643 1.4914 1.4920 3.9791 4.0325 4.0339 4.0488 5.8019 5.8170 5.8254 5.8362 6.3835 6.3929 6.4057 6.4144 7.5465 7.5526 7.5531 7.5542 7.7126 7.7172 7.7187 7.7235 12.3352 12.3353 12.3443 12.3462 13.1907 13.1917 13.1932 13.1935 13.8303 13.8354 k = 0.2273 0.2438 0.6836 ( 3752 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3299 -12.3106 -12.2761 -12.2739 -11.9885 -11.9863 -11.8426 -11.8396 -11.8161 -11.7967 -11.7070 -11.7067 -6.3357 -6.3348 -6.3342 -6.3320 -4.5545 -4.5400 -4.5378 -4.5372 1.4663 1.4671 1.4948 1.4953 3.9696 4.0237 4.0246 4.0396 5.8093 5.8246 5.8352 5.8426 6.3820 6.3884 6.4034 6.4119 7.5473 7.5535 7.5539 7.5546 7.7153 7.7204 7.7214 7.7263 12.3329 12.3329 12.3421 12.3440 13.1836 13.1849 13.1865 13.1867 13.8468 13.8500 k = 0.2386 0.2560 0.6836 ( 3744 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3301 -12.3108 -12.2755 -12.2743 -11.9882 -11.9871 -11.8386 -11.8376 -11.8198 -11.7984 -11.7068 -11.7066 -6.3354 -6.3344 -6.3341 -6.3317 -4.5550 -4.5404 -4.5380 -4.5377 1.4683 1.4687 1.4970 1.4974 3.9638 4.0184 4.0189 4.0340 5.8137 5.8292 5.8419 5.8457 6.3818 6.3850 6.4021 6.4103 7.5478 7.5542 7.5544 7.5547 7.7170 7.7225 7.7230 7.7279 12.3314 12.3314 12.3408 12.3427 13.1792 13.1808 13.1824 13.1825 13.8599 13.8622 k = 0.2500 0.2682 0.6836 ( 3752 PWs) bands (ev): -30.8710 -30.8710 -30.8710 -30.8710 -12.3302 -12.3109 -12.2749 -12.2749 -11.9878 -11.9878 -11.8369 -11.8369 -11.8215 -11.7991 -11.7067 -11.7067 -6.3353 -6.3342 -6.3342 -6.3317 -4.5552 -4.5406 -4.5380 -4.5380 1.4691 1.4691 1.4977 1.4980 3.9619 4.0168 4.0168 4.0321 5.8152 5.8307 5.8454 5.8454 6.3828 6.3828 6.4016 6.4098 7.5480 7.5546 7.5546 7.5546 7.7175 7.7233 7.7233 7.7285 12.3309 12.3309 12.3403 12.3422 13.1777 13.1794 13.1811 13.1811 13.8651 13.8692 Writing output data file CaGeN2.save init_run : 1.94s CPU 13.22s WALL ( 1 calls) electrons : 1396.32s CPU 1407.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.23s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 1396.29s CPU 1407.65s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.90s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.08s CPU 0.51s WALL ( 1 calls) newd : 0.48s CPU 0.58s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.19s WALL ( 322 calls) cegterg : 1355.36s CPU 1363.86s WALL ( 1487 calls) Called by sum_band: Called by *egterg: h_psi : 458.02s CPU 472.90s WALL ( 29703 calls) s_psi : 46.24s CPU 47.98s WALL ( 29703 calls) g_psi : 1.05s CPU 1.05s WALL ( 27894 calls) cdiaghg : 662.61s CPU 656.45s WALL ( 28216 calls) cegterg:over : 97.34s CPU 92.01s WALL ( 27894 calls) cegterg:upda : 19.44s CPU 26.92s WALL ( 27894 calls) cegterg:last : 14.46s CPU 15.56s WALL ( 3073 calls) Called by h_psi: h_psi:vloc : 350.23s CPU 364.18s WALL ( 29703 calls) h_psi:vnl : 107.45s CPU 107.56s WALL ( 29703 calls) add_vuspsi : 32.88s CPU 41.06s WALL ( 29703 calls) General routines calbec : 74.49s CPU 66.35s WALL ( 29703 calls) fft : 0.13s CPU 1.03s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 329.81s CPU 339.26s WALL ( 2102584 calls) interpolate : 0.02s CPU 0.04s WALL ( 4 calls) davcio : 0.02s CPU 1.33s WALL ( 644 calls) Parallel routines fft_scatter : 211.12s CPU 218.47s WALL ( 2102607 calls) PWSCF : 24m 8.57s CPU 25m29.08s WALL This run was terminated on: 9:37:53 13Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=