Program PWSCF v.5.1.1 starts on 25Nov2015 at 11:23:19 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: ./BixBO2x3.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 34 19 5 1552 676 103 Max 35 20 6 1559 691 111 Sum 1645 949 277 74649 32801 5155 bravais-lattice index = 14 lattice parameter (alat) = 8.2277 a.u. unit-cell volume = 754.3407 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.227739 celldm(2)= 1.000000 celldm(3)= 1.495200 celldm(4)= 0.219228 celldm(5)= 0.219228 celldm(6)= 0.340867 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.340867 0.940111 0.000000 ) a(3) = ( 0.327790 0.229821 1.440611 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.362582 -0.169693 ) b(2) = ( 0.000000 1.063704 -0.169693 ) b(3) = ( 0.000000 0.000000 0.694150 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 O 6.00 15.99940 O( 1.00) Bi 5.00 208.98040 Bi( 1.00) B 3.00 10.81100 B( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 334 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0108696 0.0076209 -0.0036890), wk = 0.0029940 k( 3) = ( 0.0217391 0.0152418 -0.0073779), wk = 0.0029940 k( 4) = ( 0.0326087 0.0228627 -0.0110669), wk = 0.0029940 k( 5) = ( 0.0434783 0.0304836 -0.0147559), wk = 0.0029940 k( 6) = ( 0.0543478 0.0381045 -0.0184448), wk = 0.0029940 k( 7) = ( 0.0652174 0.0457253 -0.0221338), wk = 0.0029940 k( 8) = ( 0.0760870 0.0533462 -0.0258228), wk = 0.0029940 k( 9) = ( 0.0869565 0.0609671 -0.0295117), wk = 0.0029940 k( 10) = ( 0.0978261 0.0685880 -0.0332007), wk = 0.0029940 k( 11) = ( 0.1086957 0.0762089 -0.0368897), wk = 0.0029940 k( 12) = ( 0.1195652 0.0838298 -0.0405786), wk = 0.0029940 k( 13) = ( 0.1304348 0.0914507 -0.0442676), wk = 0.0029940 k( 14) = ( 0.1413043 0.0990716 -0.0479566), wk = 0.0029940 k( 15) = ( 0.1521739 0.1066925 -0.0516455), wk = 0.0029940 k( 16) = ( 0.1630435 0.1143134 -0.0553345), wk = 0.0029940 k( 17) = ( 0.1739130 0.1219343 -0.0590235), wk = 0.0029940 k( 18) = ( 0.1847826 0.1295552 -0.0627125), wk = 0.0029940 k( 19) = ( 0.1956522 0.1371760 -0.0664014), wk = 0.0029940 k( 20) = ( 0.2065217 0.1447969 -0.0700904), wk = 0.0029940 k( 21) = ( 0.2173913 0.1524178 -0.0737794), wk = 0.0029940 k( 22) = ( 0.2282609 0.1600387 -0.0774683), wk = 0.0029940 k( 23) = ( 0.2391304 0.1676596 -0.0811573), wk = 0.0029940 k( 24) = ( 0.2500000 0.1752805 -0.0848463), wk = 0.0029940 k( 25) = ( 0.2608696 0.1829014 -0.0885352), wk = 0.0029940 k( 26) = ( 0.2717391 0.1905223 -0.0922242), wk = 0.0029940 k( 27) = ( 0.2826087 0.1981432 -0.0959132), wk = 0.0029940 k( 28) = ( 0.2934783 0.2057641 -0.0996021), wk = 0.0029940 k( 29) = ( 0.3043478 0.2133850 -0.1032911), wk = 0.0029940 k( 30) = ( 0.3152174 0.2210059 -0.1069801), wk = 0.0029940 k( 31) = ( 0.3260870 0.2286267 -0.1106690), wk = 0.0029940 k( 32) = ( 0.3369565 0.2362476 -0.1143580), wk = 0.0029940 k( 33) = ( 0.3478261 0.2438685 -0.1180470), wk = 0.0029940 k( 34) = ( 0.3586956 0.2514894 -0.1217359), wk = 0.0029940 k( 35) = ( 0.3695652 0.2591103 -0.1254249), wk = 0.0029940 k( 36) = ( 0.3804348 0.2667312 -0.1291139), wk = 0.0029940 k( 37) = ( 0.3913044 0.2743521 -0.1328028), wk = 0.0029940 k( 38) = ( 0.4021739 0.2819730 -0.1364918), wk = 0.0029940 k( 39) = ( 0.4130435 0.2895939 -0.1401808), wk = 0.0029940 k( 40) = ( 0.4239130 0.2972148 -0.1438697), wk = 0.0029940 k( 41) = ( 0.4347826 0.3048357 -0.1475587), wk = 0.0029940 k( 42) = ( 0.4456522 0.3124565 -0.1512477), wk = 0.0029940 k( 43) = ( 0.4565217 0.3200774 -0.1549366), wk = 0.0029940 k( 44) = ( 0.4673913 0.3276983 -0.1586256), wk = 0.0029940 k( 45) = ( 0.4782609 0.3353192 -0.1623146), wk = 0.0029940 k( 46) = ( 0.4891304 0.3429401 -0.1660035), wk = 0.0029940 k( 47) = ( 0.5000000 0.3505610 -0.1696925), wk = 0.0029940 k( 48) = ( 0.5000000 0.3505610 -0.1696925), wk = 0.0029940 k( 49) = ( 0.5028829 0.3525823 -0.1570223), wk = 0.0029940 k( 50) = ( 0.5057658 0.3546036 -0.1443522), wk = 0.0029940 k( 51) = ( 0.5086487 0.3566248 -0.1316820), wk = 0.0029940 k( 52) = ( 0.5115316 0.3586461 -0.1190118), wk = 0.0029940 k( 53) = ( 0.5144146 0.3606674 -0.1063416), wk = 0.0029940 k( 54) = ( 0.5172975 0.3626886 -0.0936715), wk = 0.0029940 k( 55) = ( 0.5201804 0.3647099 -0.0810013), wk = 0.0029940 k( 56) = ( 0.5230633 0.3667312 -0.0683311), wk = 0.0029940 k( 57) = ( 0.5259462 0.3687525 -0.0556609), wk = 0.0029940 k( 58) = ( 0.5288291 0.3707737 -0.0429908), wk = 0.0029940 k( 59) = ( 0.5317120 0.3727950 -0.0303206), wk = 0.0029940 k( 60) = ( 0.5345949 0.3748163 -0.0176504), wk = 0.0029940 k( 61) = ( 0.5374778 0.3768375 -0.0049802), wk = 0.0029940 k( 62) = ( 0.5403607 0.3788588 0.0076899), wk = 0.0029940 k( 63) = ( 0.5403607 0.3788588 0.0076899), wk = 0.0029940 k( 64) = ( 0.5372561 0.3766821 0.0207432), wk = 0.0029940 k( 65) = ( 0.5341514 0.3745053 0.0337965), wk = 0.0029940 k( 66) = ( 0.5310467 0.3723285 0.0468497), wk = 0.0029940 k( 67) = ( 0.5279421 0.3701518 0.0599030), wk = 0.0029940 k( 68) = ( 0.5248374 0.3679750 0.0729563), wk = 0.0029940 k( 69) = ( 0.5217327 0.3657983 0.0860096), wk = 0.0029940 k( 70) = ( 0.5186280 0.3636215 0.0990628), wk = 0.0029940 k( 71) = ( 0.5155234 0.3614448 0.1121161), wk = 0.0029940 k( 72) = ( 0.5124187 0.3592680 0.1251694), wk = 0.0029940 k( 73) = ( 0.5093140 0.3570913 0.1382226), wk = 0.0029940 k( 74) = ( 0.5062093 0.3549145 0.1512759), wk = 0.0029940 k( 75) = ( 0.5031047 0.3527378 0.1643292), wk = 0.0029940 k( 76) = ( 0.5000000 0.3505610 0.1773824), wk = 0.0029940 k( 77) = ( 0.5000000 0.3505610 0.1773824), wk = 0.0029940 k( 78) = ( 0.5078219 0.3394048 0.1773824), wk = 0.0029940 k( 79) = ( 0.5156437 0.3282486 0.1773824), wk = 0.0029940 k( 80) = ( 0.5234656 0.3170924 0.1773824), wk = 0.0029940 k( 81) = ( 0.5312874 0.3059362 0.1773824), wk = 0.0029940 k( 82) = ( 0.5391093 0.2947800 0.1773824), wk = 0.0029940 k( 83) = ( 0.5469312 0.2836238 0.1773824), wk = 0.0029940 k( 84) = ( 0.5547530 0.2724676 0.1773824), wk = 0.0029940 k( 85) = ( 0.5625749 0.2613114 0.1773824), wk = 0.0029940 k( 86) = ( 0.5703968 0.2501551 0.1773824), wk = 0.0029940 k( 87) = ( 0.5782186 0.2389989 0.1773824), wk = 0.0029940 k( 88) = ( 0.5860405 0.2278427 0.1773824), wk = 0.0029940 k( 89) = ( 0.5938623 0.2166865 0.1773824), wk = 0.0029940 k( 90) = ( 0.6016842 0.2055303 0.1773824), wk = 0.0029940 k( 91) = ( 0.6095061 0.1943741 0.1773824), wk = 0.0029940 k( 92) = ( 0.6173279 0.1832179 0.1773824), wk = 0.0029940 k( 93) = ( 0.6251498 0.1720617 0.1773824), wk = 0.0029940 k( 94) = ( 0.6329716 0.1609055 0.1773824), wk = 0.0029940 k( 95) = ( 0.6407935 0.1497493 0.1773824), wk = 0.0029940 k( 96) = ( 0.6486154 0.1385931 0.1773824), wk = 0.0029940 k( 97) = ( 0.6564372 0.1274369 0.1773824), wk = 0.0029940 k( 98) = ( 0.3435628 -0.4900185 0.3470750), wk = 0.0029940 k( 99) = ( 0.3357545 -0.4788817 0.3470750), wk = 0.0029940 k( 100) = ( 0.3279463 -0.4677449 0.3470750), wk = 0.0029940 k( 101) = ( 0.3201380 -0.4566082 0.3470750), wk = 0.0029940 k( 102) = ( 0.3123298 -0.4454714 0.3470750), wk = 0.0029940 k( 103) = ( 0.3045215 -0.4343346 0.3470750), wk = 0.0029940 k( 104) = ( 0.2967133 -0.4231978 0.3470750), wk = 0.0029940 k( 105) = ( 0.2889050 -0.4120610 0.3470750), wk = 0.0029940 k( 106) = ( 0.2810968 -0.4009242 0.3470750), wk = 0.0029940 k( 107) = ( 0.2732886 -0.3897874 0.3470750), wk = 0.0029940 k( 108) = ( 0.2654803 -0.3786507 0.3470750), wk = 0.0029940 k( 109) = ( 0.2576721 -0.3675139 0.3470750), wk = 0.0029940 k( 110) = ( 0.2498638 -0.3563771 0.3470750), wk = 0.0029940 k( 111) = ( 0.2420556 -0.3452403 0.3470750), wk = 0.0029940 k( 112) = ( 0.2342473 -0.3341035 0.3470750), wk = 0.0029940 k( 113) = ( 0.2264391 -0.3229667 0.3470750), wk = 0.0029940 k( 114) = ( 0.2186308 -0.3118300 0.3470750), wk = 0.0029940 k( 115) = ( 0.2108226 -0.3006932 0.3470750), wk = 0.0029940 k( 116) = ( 0.2030144 -0.2895564 0.3470750), wk = 0.0029940 k( 117) = ( 0.1952061 -0.2784196 0.3470750), wk = 0.0029940 k( 118) = ( 0.1873979 -0.2672828 0.3470750), wk = 0.0029940 k( 119) = ( 0.1795896 -0.2561460 0.3470750), wk = 0.0029940 k( 120) = ( 0.1717814 -0.2450092 0.3470750), wk = 0.0029940 k( 121) = ( 0.1639731 -0.2338725 0.3470750), wk = 0.0029940 k( 122) = ( 0.1561649 -0.2227357 0.3470750), wk = 0.0029940 k( 123) = ( 0.1483567 -0.2115989 0.3470750), wk = 0.0029940 k( 124) = ( 0.1405484 -0.2004621 0.3470750), wk = 0.0029940 k( 125) = ( 0.1327402 -0.1893253 0.3470750), wk = 0.0029940 k( 126) = ( 0.1249319 -0.1781885 0.3470750), wk = 0.0029940 k( 127) = ( 0.1171237 -0.1670518 0.3470750), wk = 0.0029940 k( 128) = ( 0.1093154 -0.1559150 0.3470750), wk = 0.0029940 k( 129) = ( 0.1015072 -0.1447782 0.3470750), wk = 0.0029940 k( 130) = ( 0.0936989 -0.1336414 0.3470750), wk = 0.0029940 k( 131) = ( 0.0858907 -0.1225046 0.3470750), wk = 0.0029940 k( 132) = ( 0.0780824 -0.1113678 0.3470750), wk = 0.0029940 k( 133) = ( 0.0702742 -0.1002311 0.3470750), wk = 0.0029940 k( 134) = ( 0.0624660 -0.0890943 0.3470750), wk = 0.0029940 k( 135) = ( 0.0546577 -0.0779575 0.3470750), wk = 0.0029940 k( 136) = ( 0.0468495 -0.0668207 0.3470750), wk = 0.0029940 k( 137) = ( 0.0390412 -0.0556839 0.3470750), wk = 0.0029940 k( 138) = ( 0.0312330 -0.0445471 0.3470750), wk = 0.0029940 k( 139) = ( 0.0234247 -0.0334103 0.3470750), wk = 0.0029940 k( 140) = ( 0.0156165 -0.0222736 0.3470750), wk = 0.0029940 k( 141) = ( 0.0078082 -0.0111368 0.3470750), wk = 0.0029940 k( 142) = ( 0.0000000 0.0000000 0.3470750), wk = 0.0029940 k( 143) = ( 0.0000000 0.0000000 0.3470750), wk = 0.0029940 k( 144) = ( 0.0112107 0.0078601 0.3470750), wk = 0.0029940 k( 145) = ( 0.0224214 0.0157202 0.3470750), wk = 0.0029940 k( 146) = ( 0.0336321 0.0235802 0.3470750), wk = 0.0029940 k( 147) = ( 0.0448429 0.0314403 0.3470750), wk = 0.0029940 k( 148) = ( 0.0560536 0.0393004 0.3470750), wk = 0.0029940 k( 149) = ( 0.0672643 0.0471605 0.3470750), wk = 0.0029940 k( 150) = ( 0.0784750 0.0550206 0.3470750), wk = 0.0029940 k( 151) = ( 0.0896857 0.0628806 0.3470750), wk = 0.0029940 k( 152) = ( 0.1008964 0.0707407 0.3470750), wk = 0.0029940 k( 153) = ( 0.1121071 0.0786008 0.3470750), wk = 0.0029940 k( 154) = ( 0.1233179 0.0864609 0.3470750), wk = 0.0029940 k( 155) = ( 0.1345286 0.0943209 0.3470750), wk = 0.0029940 k( 156) = ( 0.1457393 0.1021810 0.3470750), wk = 0.0029940 k( 157) = ( 0.1569500 0.1100411 0.3470750), wk = 0.0029940 k( 158) = ( 0.1681607 0.1179012 0.3470750), wk = 0.0029940 k( 159) = ( 0.1793714 0.1257613 0.3470750), wk = 0.0029940 k( 160) = ( 0.1905821 0.1336213 0.3470750), wk = 0.0029940 k( 161) = ( 0.2017928 0.1414814 0.3470750), wk = 0.0029940 k( 162) = ( 0.2130036 0.1493415 0.3470750), wk = 0.0029940 k( 163) = ( 0.2242143 0.1572016 0.3470750), wk = 0.0029940 k( 164) = ( 0.2354250 0.1650616 0.3470750), wk = 0.0029940 k( 165) = ( 0.2466357 0.1729217 0.3470750), wk = 0.0029940 k( 166) = ( 0.2578464 0.1807818 0.3470750), wk = 0.0029940 k( 167) = ( 0.2690571 0.1886419 0.3470750), wk = 0.0029940 k( 168) = ( 0.2802678 0.1965020 0.3470750), wk = 0.0029940 k( 169) = ( 0.2914786 0.2043620 0.3470750), wk = 0.0029940 k( 170) = ( 0.3026893 0.2122221 0.3470750), wk = 0.0029940 k( 171) = ( 0.3139000 0.2200822 0.3470750), wk = 0.0029940 k( 172) = ( 0.3251107 0.2279423 0.3470750), wk = 0.0029940 k( 173) = ( 0.3363214 0.2358023 0.3470750), wk = 0.0029940 k( 174) = ( 0.3475321 0.2436624 0.3470750), wk = 0.0029940 k( 175) = ( 0.3587428 0.2515225 0.3470750), wk = 0.0029940 k( 176) = ( 0.3699536 0.2593826 0.3470750), wk = 0.0029940 k( 177) = ( 0.3811643 0.2672427 0.3470750), wk = 0.0029940 k( 178) = ( 0.3923750 0.2751027 0.3470750), wk = 0.0029940 k( 179) = ( 0.4035857 0.2829628 0.3470750), wk = 0.0029940 k( 180) = ( 0.4147964 0.2908229 0.3470750), wk = 0.0029940 k( 181) = ( 0.4260071 0.2986830 0.3470750), wk = 0.0029940 k( 182) = ( 0.4372178 0.3065431 0.3470750), wk = 0.0029940 k( 183) = ( 0.4484285 0.3144031 0.3470750), wk = 0.0029940 k( 184) = ( 0.4596393 0.3222632 0.3470750), wk = 0.0029940 k( 185) = ( 0.5000000 0.3505610 -0.1696925), wk = 0.0029940 k( 186) = ( 0.5078411 0.3393773 -0.1696925), wk = 0.0029940 k( 187) = ( 0.5156823 0.3281936 -0.1696925), wk = 0.0029940 k( 188) = ( 0.5235234 0.3170099 -0.1696925), wk = 0.0029940 k( 189) = ( 0.5313645 0.3058263 -0.1696925), wk = 0.0029940 k( 190) = ( 0.5392056 0.2946426 -0.1696925), wk = 0.0029940 k( 191) = ( 0.5470468 0.2834589 -0.1696925), wk = 0.0029940 k( 192) = ( 0.5548879 0.2722752 -0.1696925), wk = 0.0029940 k( 193) = ( 0.5627290 0.2610915 -0.1696925), wk = 0.0029940 k( 194) = ( 0.5705702 0.2499078 -0.1696925), wk = 0.0029940 k( 195) = ( 0.5784113 0.2387241 -0.1696925), wk = 0.0029940 k( 196) = ( 0.5862524 0.2275405 -0.1696925), wk = 0.0029940 k( 197) = ( 0.5940935 0.2163568 -0.1696925), wk = 0.0029940 k( 198) = ( 0.6019347 0.2051731 -0.1696925), wk = 0.0029940 k( 199) = ( 0.6097758 0.1939894 -0.1696925), wk = 0.0029940 k( 200) = ( 0.6176169 0.1828057 -0.1696925), wk = 0.0029940 k( 201) = ( 0.3823831 -0.5453873 0.0000000), wk = 0.0029940 k( 202) = ( 0.3745793 -0.5342570 0.0000000), wk = 0.0029940 k( 203) = ( 0.3667756 -0.5231266 0.0000000), wk = 0.0029940 k( 204) = ( 0.3589719 -0.5119963 0.0000000), wk = 0.0029940 k( 205) = ( 0.3511681 -0.5008659 0.0000000), wk = 0.0029940 k( 206) = ( 0.3433644 -0.4897356 0.0000000), wk = 0.0029940 k( 207) = ( 0.3355607 -0.4786052 0.0000000), wk = 0.0029940 k( 208) = ( 0.3277569 -0.4674749 0.0000000), wk = 0.0029940 k( 209) = ( 0.3199532 -0.4563445 0.0000000), wk = 0.0029940 k( 210) = ( 0.3121494 -0.4452141 0.0000000), wk = 0.0029940 k( 211) = ( 0.3043457 -0.4340838 0.0000000), wk = 0.0029940 k( 212) = ( 0.2965420 -0.4229534 0.0000000), wk = 0.0029940 k( 213) = ( 0.2887382 -0.4118231 0.0000000), wk = 0.0029940 k( 214) = ( 0.2809345 -0.4006927 0.0000000), wk = 0.0029940 k( 215) = ( 0.2731308 -0.3895624 0.0000000), wk = 0.0029940 k( 216) = ( 0.2653270 -0.3784320 0.0000000), wk = 0.0029940 k( 217) = ( 0.2575233 -0.3673017 0.0000000), wk = 0.0029940 k( 218) = ( 0.2497196 -0.3561713 0.0000000), wk = 0.0029940 k( 219) = ( 0.2419158 -0.3450410 0.0000000), wk = 0.0029940 k( 220) = ( 0.2341121 -0.3339106 0.0000000), wk = 0.0029940 k( 221) = ( 0.2263083 -0.3227803 0.0000000), wk = 0.0029940 k( 222) = ( 0.2185046 -0.3116499 0.0000000), wk = 0.0029940 k( 223) = ( 0.2107009 -0.3005195 0.0000000), wk = 0.0029940 k( 224) = ( 0.2028971 -0.2893892 0.0000000), wk = 0.0029940 k( 225) = ( 0.1950934 -0.2782588 0.0000000), wk = 0.0029940 k( 226) = ( 0.1872897 -0.2671285 0.0000000), wk = 0.0029940 k( 227) = ( 0.1794859 -0.2559981 0.0000000), wk = 0.0029940 k( 228) = ( 0.1716822 -0.2448678 0.0000000), wk = 0.0029940 k( 229) = ( 0.1638785 -0.2337374 0.0000000), wk = 0.0029940 k( 230) = ( 0.1560747 -0.2226071 0.0000000), wk = 0.0029940 k( 231) = ( 0.1482710 -0.2114767 0.0000000), wk = 0.0029940 k( 232) = ( 0.1404672 -0.2003464 0.0000000), wk = 0.0029940 k( 233) = ( 0.1326635 -0.1892160 0.0000000), wk = 0.0029940 k( 234) = ( 0.1248598 -0.1780857 0.0000000), wk = 0.0029940 k( 235) = ( 0.1170560 -0.1669553 0.0000000), wk = 0.0029940 k( 236) = ( 0.1092523 -0.1558250 0.0000000), wk = 0.0029940 k( 237) = ( 0.1014486 -0.1446946 0.0000000), wk = 0.0029940 k( 238) = ( 0.0936448 -0.1335642 0.0000000), wk = 0.0029940 k( 239) = ( 0.0858411 -0.1224339 0.0000000), wk = 0.0029940 k( 240) = ( 0.0780374 -0.1113035 0.0000000), wk = 0.0029940 k( 241) = ( 0.0702336 -0.1001732 0.0000000), wk = 0.0029940 k( 242) = ( 0.0624299 -0.0890428 0.0000000), wk = 0.0029940 k( 243) = ( 0.0546261 -0.0779125 0.0000000), wk = 0.0029940 k( 244) = ( 0.0468224 -0.0667821 0.0000000), wk = 0.0029940 k( 245) = ( 0.0390187 -0.0556518 0.0000000), wk = 0.0029940 k( 246) = ( 0.0312149 -0.0445214 0.0000000), wk = 0.0029940 k( 247) = ( 0.0234112 -0.0333911 0.0000000), wk = 0.0029940 k( 248) = ( 0.0156075 -0.0222607 0.0000000), wk = 0.0029940 k( 249) = ( 0.0078037 -0.0111304 0.0000000), wk = 0.0029940 k( 250) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 251) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 252) = ( 0.0128205 -0.0046485 -0.0021755), wk = 0.0029940 k( 253) = ( 0.0256410 -0.0092970 -0.0043511), wk = 0.0029940 k( 254) = ( 0.0384615 -0.0139454 -0.0065266), wk = 0.0029940 k( 255) = ( 0.0512821 -0.0185939 -0.0087022), wk = 0.0029940 k( 256) = ( 0.0641026 -0.0232424 -0.0108777), wk = 0.0029940 k( 257) = ( 0.0769231 -0.0278909 -0.0130533), wk = 0.0029940 k( 258) = ( 0.0897436 -0.0325394 -0.0152288), wk = 0.0029940 k( 259) = ( 0.1025641 -0.0371879 -0.0174044), wk = 0.0029940 k( 260) = ( 0.1153846 -0.0418363 -0.0195799), wk = 0.0029940 k( 261) = ( 0.1282051 -0.0464848 -0.0217555), wk = 0.0029940 k( 262) = ( 0.1410256 -0.0511333 -0.0239310), wk = 0.0029940 k( 263) = ( 0.1538461 -0.0557818 -0.0261065), wk = 0.0029940 k( 264) = ( 0.1666667 -0.0604303 -0.0282821), wk = 0.0029940 k( 265) = ( 0.1794872 -0.0650788 -0.0304576), wk = 0.0029940 k( 266) = ( 0.1923077 -0.0697272 -0.0326332), wk = 0.0029940 k( 267) = ( 0.2051282 -0.0743757 -0.0348087), wk = 0.0029940 k( 268) = ( 0.2179487 -0.0790242 -0.0369843), wk = 0.0029940 k( 269) = ( 0.2307692 -0.0836727 -0.0391598), wk = 0.0029940 k( 270) = ( 0.2435897 -0.0883212 -0.0413354), wk = 0.0029940 k( 271) = ( 0.2564103 -0.0929696 -0.0435109), wk = 0.0029940 k( 272) = ( 0.2692308 -0.0976181 -0.0456864), wk = 0.0029940 k( 273) = ( 0.2820513 -0.1022666 -0.0478620), wk = 0.0029940 k( 274) = ( 0.2948718 -0.1069151 -0.0500375), wk = 0.0029940 k( 275) = ( 0.3076923 -0.1115636 -0.0522131), wk = 0.0029940 k( 276) = ( 0.3205128 -0.1162121 -0.0543886), wk = 0.0029940 k( 277) = ( 0.3333333 -0.1208605 -0.0565642), wk = 0.0029940 k( 278) = ( 0.3461538 -0.1255090 -0.0587397), wk = 0.0029940 k( 279) = ( 0.3589744 -0.1301575 -0.0609153), wk = 0.0029940 k( 280) = ( 0.3717949 -0.1348060 -0.0630908), wk = 0.0029940 k( 281) = ( 0.3846154 -0.1394545 -0.0652664), wk = 0.0029940 k( 282) = ( 0.3974359 -0.1441030 -0.0674419), wk = 0.0029940 k( 283) = ( 0.4102564 -0.1487514 -0.0696174), wk = 0.0029940 k( 284) = ( 0.4230769 -0.1533999 -0.0717930), wk = 0.0029940 k( 285) = ( 0.4358974 -0.1580484 -0.0739685), wk = 0.0029940 k( 286) = ( 0.4487179 -0.1626969 -0.0761441), wk = 0.0029940 k( 287) = ( 0.4615385 -0.1673454 -0.0783196), wk = 0.0029940 k( 288) = ( 0.4743590 -0.1719938 -0.0804952), wk = 0.0029940 k( 289) = ( 0.4871795 -0.1766423 -0.0826707), wk = 0.0029940 k( 290) = ( 0.5000000 -0.1812908 -0.0848463), wk = 0.0029940 k( 291) = ( 0.5000000 -0.1812908 0.2622287), wk = 0.0029940 k( 292) = ( 0.4883721 -0.1770747 0.2561304), wk = 0.0029940 k( 293) = ( 0.4767442 -0.1728587 0.2500320), wk = 0.0029940 k( 294) = ( 0.4651163 -0.1686426 0.2439337), wk = 0.0029940 k( 295) = ( 0.4534884 -0.1644265 0.2378353), wk = 0.0029940 k( 296) = ( 0.4418605 -0.1602105 0.2317370), wk = 0.0029940 k( 297) = ( 0.4302326 -0.1559944 0.2256387), wk = 0.0029940 k( 298) = ( 0.4186047 -0.1517784 0.2195403), wk = 0.0029940 k( 299) = ( 0.4069767 -0.1475623 0.2134420), wk = 0.0029940 k( 300) = ( 0.3953488 -0.1433462 0.2073436), wk = 0.0029940 k( 301) = ( 0.3837209 -0.1391302 0.2012453), wk = 0.0029940 k( 302) = ( 0.3720930 -0.1349141 0.1951469), wk = 0.0029940 k( 303) = ( 0.3604651 -0.1306980 0.1890486), wk = 0.0029940 k( 304) = ( 0.3488372 -0.1264820 0.1829503), wk = 0.0029940 k( 305) = ( 0.3372093 -0.1222659 0.1768519), wk = 0.0029940 k( 306) = ( 0.3255814 -0.1180498 0.1707536), wk = 0.0029940 k( 307) = ( 0.3139535 -0.1138338 0.1646552), wk = 0.0029940 k( 308) = ( 0.3023256 -0.1096177 0.1585569), wk = 0.0029940 k( 309) = ( 0.2906977 -0.1054016 0.1524585), wk = 0.0029940 k( 310) = ( 0.2790698 -0.1011856 0.1463602), wk = 0.0029940 k( 311) = ( 0.2674419 -0.0969695 0.1402619), wk = 0.0029940 k( 312) = ( 0.2558140 -0.0927534 0.1341635), wk = 0.0029940 k( 313) = ( 0.2441860 -0.0885374 0.1280652), wk = 0.0029940 k( 314) = ( 0.2325581 -0.0843213 0.1219668), wk = 0.0029940 k( 315) = ( 0.2209302 -0.0801052 0.1158685), wk = 0.0029940 k( 316) = ( 0.2093023 -0.0758892 0.1097702), wk = 0.0029940 k( 317) = ( 0.1976744 -0.0716731 0.1036718), wk = 0.0029940 k( 318) = ( 0.1860465 -0.0674570 0.0975735), wk = 0.0029940 k( 319) = ( 0.1744186 -0.0632410 0.0914751), wk = 0.0029940 k( 320) = ( 0.1627907 -0.0590249 0.0853768), wk = 0.0029940 k( 321) = ( 0.1511628 -0.0548088 0.0792784), wk = 0.0029940 k( 322) = ( 0.1395349 -0.0505928 0.0731801), wk = 0.0029940 k( 323) = ( 0.1279070 -0.0463767 0.0670818), wk = 0.0029940 k( 324) = ( 0.1162791 -0.0421607 0.0609834), wk = 0.0029940 k( 325) = ( 0.1046512 -0.0379446 0.0548851), wk = 0.0029940 k( 326) = ( 0.0930233 -0.0337285 0.0487867), wk = 0.0029940 k( 327) = ( 0.0813954 -0.0295125 0.0426884), wk = 0.0029940 k( 328) = ( 0.0697674 -0.0252964 0.0365901), wk = 0.0029940 k( 329) = ( 0.0581395 -0.0210803 0.0304917), wk = 0.0029940 k( 330) = ( 0.0465116 -0.0168643 0.0243934), wk = 0.0029940 k( 331) = ( 0.0348837 -0.0126482 0.0182950), wk = 0.0029940 k( 332) = ( 0.0232558 -0.0084321 0.0121967), wk = 0.0029940 k( 333) = ( 0.0116279 -0.0042161 0.0060983), wk = 0.0029940 k( 334) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0108696 0.0108696 0.0000000), wk = 0.0029940 k( 3) = ( 0.0217391 0.0217391 -0.0000000), wk = 0.0029940 k( 4) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0029940 k( 5) = ( 0.0434783 0.0434783 -0.0000000), wk = 0.0029940 k( 6) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0029940 k( 7) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0029940 k( 8) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0029940 k( 9) = ( 0.0869565 0.0869565 -0.0000000), wk = 0.0029940 k( 10) = ( 0.0978261 0.0978261 0.0000000), wk = 0.0029940 k( 11) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0029940 k( 12) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0029940 k( 13) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0029940 k( 14) = ( 0.1413043 0.1413043 0.0000000), wk = 0.0029940 k( 15) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0029940 k( 16) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0029940 k( 17) = ( 0.1739130 0.1739130 -0.0000000), wk = 0.0029940 k( 18) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0029940 k( 19) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0029940 k( 20) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0029940 k( 21) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0029940 k( 22) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0029940 k( 23) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0029940 k( 24) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029940 k( 25) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0029940 k( 26) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0029940 k( 27) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0029940 k( 28) = ( 0.2934783 0.2934783 -0.0000000), wk = 0.0029940 k( 29) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0029940 k( 30) = ( 0.3152174 0.3152174 0.0000000), wk = 0.0029940 k( 31) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0029940 k( 32) = ( 0.3369565 0.3369565 0.0000000), wk = 0.0029940 k( 33) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0029940 k( 34) = ( 0.3586956 0.3586956 0.0000000), wk = 0.0029940 k( 35) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0029940 k( 36) = ( 0.3804348 0.3804348 0.0000000), wk = 0.0029940 k( 37) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0029940 k( 38) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0029940 k( 39) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0029940 k( 40) = ( 0.4239130 0.4239130 0.0000000), wk = 0.0029940 k( 41) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0029940 k( 42) = ( 0.4456522 0.4456522 -0.0000000), wk = 0.0029940 k( 43) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0029940 k( 44) = ( 0.4673913 0.4673913 0.0000000), wk = 0.0029940 k( 45) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0029940 k( 46) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0029940 k( 47) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029940 k( 48) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029940 k( 49) = ( 0.5028829 0.5028829 0.0196623), wk = 0.0029940 k( 50) = ( 0.5057658 0.5057658 0.0393246), wk = 0.0029940 k( 51) = ( 0.5086487 0.5086487 0.0589869), wk = 0.0029940 k( 52) = ( 0.5115316 0.5115316 0.0786492), wk = 0.0029940 k( 53) = ( 0.5144146 0.5144145 0.0983115), wk = 0.0029940 k( 54) = ( 0.5172975 0.5172975 0.1179739), wk = 0.0029940 k( 55) = ( 0.5201804 0.5201804 0.1376362), wk = 0.0029940 k( 56) = ( 0.5230633 0.5230633 0.1572985), wk = 0.0029940 k( 57) = ( 0.5259462 0.5259462 0.1769608), wk = 0.0029940 k( 58) = ( 0.5288291 0.5288291 0.1966231), wk = 0.0029940 k( 59) = ( 0.5317120 0.5317120 0.2162854), wk = 0.0029940 k( 60) = ( 0.5345949 0.5345949 0.2359477), wk = 0.0029940 k( 61) = ( 0.5374778 0.5374778 0.2556100), wk = 0.0029940 k( 62) = ( 0.5403607 0.5403607 0.2752723), wk = 0.0029940 k( 63) = ( 0.5403607 0.5403607 0.2752723), wk = 0.0029940 k( 64) = ( 0.5372561 0.5372561 0.2925591), wk = 0.0029940 k( 65) = ( 0.5341514 0.5341514 0.3098458), wk = 0.0029940 k( 66) = ( 0.5310467 0.5310467 0.3271326), wk = 0.0029940 k( 67) = ( 0.5279421 0.5279421 0.3444193), wk = 0.0029940 k( 68) = ( 0.5248374 0.5248374 0.3617061), wk = 0.0029940 k( 69) = ( 0.5217327 0.5217327 0.3789928), wk = 0.0029940 k( 70) = ( 0.5186280 0.5186280 0.3962795), wk = 0.0029940 k( 71) = ( 0.5155234 0.5155234 0.4135663), wk = 0.0029940 k( 72) = ( 0.5124187 0.5124187 0.4308530), wk = 0.0029940 k( 73) = ( 0.5093140 0.5093140 0.4481398), wk = 0.0029940 k( 74) = ( 0.5062093 0.5062093 0.4654265), wk = 0.0029940 k( 75) = ( 0.5031047 0.5031047 0.4827133), wk = 0.0029940 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 77) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 78) = ( 0.5078219 0.4921781 0.5000000), wk = 0.0029940 k( 79) = ( 0.5156437 0.4843563 0.5000000), wk = 0.0029940 k( 80) = ( 0.5234656 0.4765344 0.5000000), wk = 0.0029940 k( 81) = ( 0.5312874 0.4687126 0.5000000), wk = 0.0029940 k( 82) = ( 0.5391093 0.4608907 0.5000000), wk = 0.0029940 k( 83) = ( 0.5469312 0.4530688 0.5000000), wk = 0.0029940 k( 84) = ( 0.5547530 0.4452470 0.5000000), wk = 0.0029940 k( 85) = ( 0.5625749 0.4374251 0.5000000), wk = 0.0029940 k( 86) = ( 0.5703968 0.4296032 0.5000000), wk = 0.0029940 k( 87) = ( 0.5782186 0.4217814 0.5000000), wk = 0.0029940 k( 88) = ( 0.5860405 0.4139595 0.5000000), wk = 0.0029940 k( 89) = ( 0.5938623 0.4061377 0.5000000), wk = 0.0029940 k( 90) = ( 0.6016842 0.3983158 0.5000000), wk = 0.0029940 k( 91) = ( 0.6095061 0.3904939 0.5000000), wk = 0.0029940 k( 92) = ( 0.6173279 0.3826721 0.5000000), wk = 0.0029940 k( 93) = ( 0.6251498 0.3748502 0.5000000), wk = 0.0029940 k( 94) = ( 0.6329716 0.3670284 0.5000000), wk = 0.0029940 k( 95) = ( 0.6407935 0.3592065 0.5000000), wk = 0.0029940 k( 96) = ( 0.6486154 0.3513846 0.5000000), wk = 0.0029940 k( 97) = ( 0.6564372 0.3435628 0.5000000), wk = 0.0029940 k( 98) = ( 0.3435628 -0.3435628 0.5000000), wk = 0.0029940 k( 99) = ( 0.3357545 -0.3357545 0.5000000), wk = 0.0029940 k( 100) = ( 0.3279463 -0.3279463 0.5000000), wk = 0.0029940 k( 101) = ( 0.3201380 -0.3201380 0.5000000), wk = 0.0029940 k( 102) = ( 0.3123298 -0.3123298 0.5000000), wk = 0.0029940 k( 103) = ( 0.3045215 -0.3045215 0.5000000), wk = 0.0029940 k( 104) = ( 0.2967133 -0.2967133 0.5000000), wk = 0.0029940 k( 105) = ( 0.2889050 -0.2889050 0.5000000), wk = 0.0029940 k( 106) = ( 0.2810968 -0.2810968 0.5000000), wk = 0.0029940 k( 107) = ( 0.2732886 -0.2732886 0.5000000), wk = 0.0029940 k( 108) = ( 0.2654803 -0.2654803 0.5000000), wk = 0.0029940 k( 109) = ( 0.2576721 -0.2576721 0.5000000), wk = 0.0029940 k( 110) = ( 0.2498638 -0.2498638 0.5000000), wk = 0.0029940 k( 111) = ( 0.2420556 -0.2420556 0.5000000), wk = 0.0029940 k( 112) = ( 0.2342473 -0.2342473 0.5000000), wk = 0.0029940 k( 113) = ( 0.2264391 -0.2264391 0.5000000), wk = 0.0029940 k( 114) = ( 0.2186308 -0.2186308 0.5000000), wk = 0.0029940 k( 115) = ( 0.2108226 -0.2108226 0.5000000), wk = 0.0029940 k( 116) = ( 0.2030144 -0.2030144 0.5000000), wk = 0.0029940 k( 117) = ( 0.1952061 -0.1952061 0.5000000), wk = 0.0029940 k( 118) = ( 0.1873979 -0.1873979 0.5000000), wk = 0.0029940 k( 119) = ( 0.1795896 -0.1795896 0.5000000), wk = 0.0029940 k( 120) = ( 0.1717814 -0.1717814 0.5000000), wk = 0.0029940 k( 121) = ( 0.1639731 -0.1639731 0.5000000), wk = 0.0029940 k( 122) = ( 0.1561649 -0.1561649 0.5000000), wk = 0.0029940 k( 123) = ( 0.1483567 -0.1483567 0.5000000), wk = 0.0029940 k( 124) = ( 0.1405484 -0.1405484 0.5000000), wk = 0.0029940 k( 125) = ( 0.1327402 -0.1327402 0.5000000), wk = 0.0029940 k( 126) = ( 0.1249319 -0.1249319 0.5000000), wk = 0.0029940 k( 127) = ( 0.1171237 -0.1171237 0.5000000), wk = 0.0029940 k( 128) = ( 0.1093154 -0.1093154 0.5000000), wk = 0.0029940 k( 129) = ( 0.1015072 -0.1015072 0.5000000), wk = 0.0029940 k( 130) = ( 0.0936989 -0.0936989 0.5000000), wk = 0.0029940 k( 131) = ( 0.0858907 -0.0858907 0.5000000), wk = 0.0029940 k( 132) = ( 0.0780824 -0.0780824 0.5000000), wk = 0.0029940 k( 133) = ( 0.0702742 -0.0702742 0.5000000), wk = 0.0029940 k( 134) = ( 0.0624660 -0.0624660 0.5000000), wk = 0.0029940 k( 135) = ( 0.0546577 -0.0546577 0.5000000), wk = 0.0029940 k( 136) = ( 0.0468495 -0.0468495 0.5000000), wk = 0.0029940 k( 137) = ( 0.0390412 -0.0390412 0.5000000), wk = 0.0029940 k( 138) = ( 0.0312330 -0.0312330 0.5000000), wk = 0.0029940 k( 139) = ( 0.0234247 -0.0234247 0.5000000), wk = 0.0029940 k( 140) = ( 0.0156165 -0.0156165 0.5000000), wk = 0.0029940 k( 141) = ( 0.0078082 -0.0078082 0.5000000), wk = 0.0029940 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 144) = ( 0.0112107 0.0112107 0.5054812), wk = 0.0029940 k( 145) = ( 0.0224214 0.0224214 0.5109623), wk = 0.0029940 k( 146) = ( 0.0336321 0.0336321 0.5164435), wk = 0.0029940 k( 147) = ( 0.0448429 0.0448429 0.5219246), wk = 0.0029940 k( 148) = ( 0.0560536 0.0560536 0.5274058), wk = 0.0029940 k( 149) = ( 0.0672643 0.0672643 0.5328870), wk = 0.0029940 k( 150) = ( 0.0784750 0.0784750 0.5383681), wk = 0.0029940 k( 151) = ( 0.0896857 0.0896857 0.5438493), wk = 0.0029940 k( 152) = ( 0.1008964 0.1008964 0.5493305), wk = 0.0029940 k( 153) = ( 0.1121071 0.1121071 0.5548116), wk = 0.0029940 k( 154) = ( 0.1233179 0.1233179 0.5602928), wk = 0.0029940 k( 155) = ( 0.1345286 0.1345286 0.5657739), wk = 0.0029940 k( 156) = ( 0.1457393 0.1457393 0.5712551), wk = 0.0029940 k( 157) = ( 0.1569500 0.1569500 0.5767363), wk = 0.0029940 k( 158) = ( 0.1681607 0.1681607 0.5822174), wk = 0.0029940 k( 159) = ( 0.1793714 0.1793714 0.5876986), wk = 0.0029940 k( 160) = ( 0.1905821 0.1905821 0.5931798), wk = 0.0029940 k( 161) = ( 0.2017928 0.2017928 0.5986609), wk = 0.0029940 k( 162) = ( 0.2130036 0.2130036 0.6041421), wk = 0.0029940 k( 163) = ( 0.2242143 0.2242143 0.6096232), wk = 0.0029940 k( 164) = ( 0.2354250 0.2354250 0.6151044), wk = 0.0029940 k( 165) = ( 0.2466357 0.2466357 0.6205856), wk = 0.0029940 k( 166) = ( 0.2578464 0.2578464 0.6260667), wk = 0.0029940 k( 167) = ( 0.2690571 0.2690571 0.6315479), wk = 0.0029940 k( 168) = ( 0.2802678 0.2802678 0.6370291), wk = 0.0029940 k( 169) = ( 0.2914786 0.2914786 0.6425102), wk = 0.0029940 k( 170) = ( 0.3026893 0.3026893 0.6479914), wk = 0.0029940 k( 171) = ( 0.3139000 0.3139000 0.6534726), wk = 0.0029940 k( 172) = ( 0.3251107 0.3251107 0.6589537), wk = 0.0029940 k( 173) = ( 0.3363214 0.3363214 0.6644349), wk = 0.0029940 k( 174) = ( 0.3475321 0.3475321 0.6699160), wk = 0.0029940 k( 175) = ( 0.3587428 0.3587428 0.6753972), wk = 0.0029940 k( 176) = ( 0.3699536 0.3699536 0.6808784), wk = 0.0029940 k( 177) = ( 0.3811643 0.3811643 0.6863595), wk = 0.0029940 k( 178) = ( 0.3923750 0.3923750 0.6918407), wk = 0.0029940 k( 179) = ( 0.4035857 0.4035857 0.6973218), wk = 0.0029940 k( 180) = ( 0.4147964 0.4147964 0.7028030), wk = 0.0029940 k( 181) = ( 0.4260071 0.4260071 0.7082842), wk = 0.0029940 k( 182) = ( 0.4372178 0.4372178 0.7137653), wk = 0.0029940 k( 183) = ( 0.4484285 0.4484286 0.7192465), wk = 0.0029940 k( 184) = ( 0.4596393 0.4596393 0.7247277), wk = 0.0029940 k( 185) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029940 k( 186) = ( 0.5078411 0.4921589 0.0000000), wk = 0.0029940 k( 187) = ( 0.5156823 0.4843177 0.0000000), wk = 0.0029940 k( 188) = ( 0.5235234 0.4764766 -0.0000000), wk = 0.0029940 k( 189) = ( 0.5313645 0.4686355 0.0000000), wk = 0.0029940 k( 190) = ( 0.5392056 0.4607944 -0.0000000), wk = 0.0029940 k( 191) = ( 0.5470468 0.4529532 0.0000000), wk = 0.0029940 k( 192) = ( 0.5548879 0.4451121 0.0000000), wk = 0.0029940 k( 193) = ( 0.5627290 0.4372710 0.0000000), wk = 0.0029940 k( 194) = ( 0.5705702 0.4294298 0.0000000), wk = 0.0029940 k( 195) = ( 0.5784113 0.4215887 0.0000000), wk = 0.0029940 k( 196) = ( 0.5862524 0.4137476 0.0000000), wk = 0.0029940 k( 197) = ( 0.5940935 0.4059064 0.0000000), wk = 0.0029940 k( 198) = ( 0.6019347 0.3980653 0.0000000), wk = 0.0029940 k( 199) = ( 0.6097758 0.3902242 -0.0000000), wk = 0.0029940 k( 200) = ( 0.6176169 0.3823831 0.0000000), wk = 0.0029940 k( 201) = ( 0.3823831 -0.3823831 0.0000000), wk = 0.0029940 k( 202) = ( 0.3745793 -0.3745793 0.0000000), wk = 0.0029940 k( 203) = ( 0.3667756 -0.3667756 0.0000000), wk = 0.0029940 k( 204) = ( 0.3589719 -0.3589719 0.0000000), wk = 0.0029940 k( 205) = ( 0.3511681 -0.3511681 0.0000000), wk = 0.0029940 k( 206) = ( 0.3433644 -0.3433644 0.0000000), wk = 0.0029940 k( 207) = ( 0.3355607 -0.3355607 0.0000000), wk = 0.0029940 k( 208) = ( 0.3277569 -0.3277569 0.0000000), wk = 0.0029940 k( 209) = ( 0.3199532 -0.3199532 0.0000000), wk = 0.0029940 k( 210) = ( 0.3121494 -0.3121494 0.0000000), wk = 0.0029940 k( 211) = ( 0.3043457 -0.3043457 0.0000000), wk = 0.0029940 k( 212) = ( 0.2965420 -0.2965420 0.0000000), wk = 0.0029940 k( 213) = ( 0.2887382 -0.2887382 0.0000000), wk = 0.0029940 k( 214) = ( 0.2809345 -0.2809345 0.0000000), wk = 0.0029940 k( 215) = ( 0.2731308 -0.2731308 -0.0000000), wk = 0.0029940 k( 216) = ( 0.2653270 -0.2653270 -0.0000000), wk = 0.0029940 k( 217) = ( 0.2575233 -0.2575233 0.0000000), wk = 0.0029940 k( 218) = ( 0.2497196 -0.2497196 0.0000000), wk = 0.0029940 k( 219) = ( 0.2419158 -0.2419158 -0.0000000), wk = 0.0029940 k( 220) = ( 0.2341121 -0.2341121 0.0000000), wk = 0.0029940 k( 221) = ( 0.2263083 -0.2263083 0.0000000), wk = 0.0029940 k( 222) = ( 0.2185046 -0.2185046 0.0000000), wk = 0.0029940 k( 223) = ( 0.2107009 -0.2107009 0.0000000), wk = 0.0029940 k( 224) = ( 0.2028971 -0.2028971 0.0000000), wk = 0.0029940 k( 225) = ( 0.1950934 -0.1950934 0.0000000), wk = 0.0029940 k( 226) = ( 0.1872897 -0.1872897 0.0000000), wk = 0.0029940 k( 227) = ( 0.1794859 -0.1794859 0.0000000), wk = 0.0029940 k( 228) = ( 0.1716822 -0.1716822 0.0000000), wk = 0.0029940 k( 229) = ( 0.1638785 -0.1638785 0.0000000), wk = 0.0029940 k( 230) = ( 0.1560747 -0.1560747 0.0000000), wk = 0.0029940 k( 231) = ( 0.1482710 -0.1482710 0.0000000), wk = 0.0029940 k( 232) = ( 0.1404672 -0.1404672 0.0000000), wk = 0.0029940 k( 233) = ( 0.1326635 -0.1326635 0.0000000), wk = 0.0029940 k( 234) = ( 0.1248598 -0.1248598 0.0000000), wk = 0.0029940 k( 235) = ( 0.1170560 -0.1170560 0.0000000), wk = 0.0029940 k( 236) = ( 0.1092523 -0.1092523 0.0000000), wk = 0.0029940 k( 237) = ( 0.1014486 -0.1014486 0.0000000), wk = 0.0029940 k( 238) = ( 0.0936448 -0.0936448 0.0000000), wk = 0.0029940 k( 239) = ( 0.0858411 -0.0858411 0.0000000), wk = 0.0029940 k( 240) = ( 0.0780374 -0.0780374 0.0000000), wk = 0.0029940 k( 241) = ( 0.0702336 -0.0702336 0.0000000), wk = 0.0029940 k( 242) = ( 0.0624299 -0.0624299 0.0000000), wk = 0.0029940 k( 243) = ( 0.0546261 -0.0546262 0.0000000), wk = 0.0029940 k( 244) = ( 0.0468224 -0.0468224 0.0000000), wk = 0.0029940 k( 245) = ( 0.0390187 -0.0390187 0.0000000), wk = 0.0029940 k( 246) = ( 0.0312149 -0.0312149 0.0000000), wk = 0.0029940 k( 247) = ( 0.0234112 -0.0234112 0.0000000), wk = 0.0029940 k( 248) = ( 0.0156075 -0.0156075 0.0000000), wk = 0.0029940 k( 249) = ( 0.0078037 -0.0078037 0.0000000), wk = 0.0029940 k( 250) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 251) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 252) = ( 0.0128205 -0.0000000 0.0000000), wk = 0.0029940 k( 253) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0029940 k( 254) = ( 0.0384615 -0.0000000 0.0000000), wk = 0.0029940 k( 255) = ( 0.0512821 -0.0000000 0.0000000), wk = 0.0029940 k( 256) = ( 0.0641026 -0.0000000 0.0000000), wk = 0.0029940 k( 257) = ( 0.0769231 -0.0000000 0.0000000), wk = 0.0029940 k( 258) = ( 0.0897436 -0.0000000 0.0000000), wk = 0.0029940 k( 259) = ( 0.1025641 -0.0000000 0.0000000), wk = 0.0029940 k( 260) = ( 0.1153846 -0.0000000 0.0000000), wk = 0.0029940 k( 261) = ( 0.1282051 -0.0000000 0.0000000), wk = 0.0029940 k( 262) = ( 0.1410256 -0.0000000 0.0000000), wk = 0.0029940 k( 263) = ( 0.1538461 -0.0000000 0.0000000), wk = 0.0029940 k( 264) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0029940 k( 265) = ( 0.1794872 -0.0000000 0.0000000), wk = 0.0029940 k( 266) = ( 0.1923077 -0.0000000 0.0000000), wk = 0.0029940 k( 267) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0029940 k( 268) = ( 0.2179487 -0.0000000 0.0000000), wk = 0.0029940 k( 269) = ( 0.2307692 -0.0000000 0.0000000), wk = 0.0029940 k( 270) = ( 0.2435897 -0.0000000 0.0000000), wk = 0.0029940 k( 271) = ( 0.2564103 -0.0000000 0.0000000), wk = 0.0029940 k( 272) = ( 0.2692308 -0.0000000 0.0000000), wk = 0.0029940 k( 273) = ( 0.2820513 -0.0000000 0.0000000), wk = 0.0029940 k( 274) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0029940 k( 275) = ( 0.3076923 -0.0000000 0.0000000), wk = 0.0029940 k( 276) = ( 0.3205128 -0.0000000 0.0000000), wk = 0.0029940 k( 277) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0029940 k( 278) = ( 0.3461538 -0.0000000 0.0000000), wk = 0.0029940 k( 279) = ( 0.3589744 -0.0000000 0.0000000), wk = 0.0029940 k( 280) = ( 0.3717949 0.0000000 0.0000000), wk = 0.0029940 k( 281) = ( 0.3846154 -0.0000000 0.0000000), wk = 0.0029940 k( 282) = ( 0.3974359 -0.0000000 0.0000000), wk = 0.0029940 k( 283) = ( 0.4102564 -0.0000000 0.0000000), wk = 0.0029940 k( 284) = ( 0.4230769 -0.0000000 0.0000000), wk = 0.0029940 k( 285) = ( 0.4358974 -0.0000000 0.0000000), wk = 0.0029940 k( 286) = ( 0.4487179 0.0000000 0.0000000), wk = 0.0029940 k( 287) = ( 0.4615385 -0.0000000 0.0000000), wk = 0.0029940 k( 288) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0029940 k( 289) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0029940 k( 290) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0029940 k( 291) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029940 k( 292) = ( 0.4883721 -0.0000000 0.4883721), wk = 0.0029940 k( 293) = ( 0.4767442 0.0000000 0.4767442), wk = 0.0029940 k( 294) = ( 0.4651163 -0.0000000 0.4651163), wk = 0.0029940 k( 295) = ( 0.4534884 -0.0000000 0.4534884), wk = 0.0029940 k( 296) = ( 0.4418605 -0.0000000 0.4418605), wk = 0.0029940 k( 297) = ( 0.4302326 0.0000000 0.4302326), wk = 0.0029940 k( 298) = ( 0.4186047 -0.0000000 0.4186047), wk = 0.0029940 k( 299) = ( 0.4069767 -0.0000000 0.4069767), wk = 0.0029940 k( 300) = ( 0.3953488 -0.0000000 0.3953488), wk = 0.0029940 k( 301) = ( 0.3837209 -0.0000000 0.3837209), wk = 0.0029940 k( 302) = ( 0.3720930 -0.0000000 0.3720930), wk = 0.0029940 k( 303) = ( 0.3604651 -0.0000000 0.3604651), wk = 0.0029940 k( 304) = ( 0.3488372 -0.0000000 0.3488372), wk = 0.0029940 k( 305) = ( 0.3372093 -0.0000000 0.3372093), wk = 0.0029940 k( 306) = ( 0.3255814 -0.0000000 0.3255814), wk = 0.0029940 k( 307) = ( 0.3139535 0.0000000 0.3139535), wk = 0.0029940 k( 308) = ( 0.3023256 -0.0000000 0.3023256), wk = 0.0029940 k( 309) = ( 0.2906977 -0.0000000 0.2906977), wk = 0.0029940 k( 310) = ( 0.2790698 -0.0000000 0.2790698), wk = 0.0029940 k( 311) = ( 0.2674419 0.0000000 0.2674419), wk = 0.0029940 k( 312) = ( 0.2558140 -0.0000000 0.2558140), wk = 0.0029940 k( 313) = ( 0.2441860 0.0000000 0.2441860), wk = 0.0029940 k( 314) = ( 0.2325581 -0.0000000 0.2325581), wk = 0.0029940 k( 315) = ( 0.2209302 -0.0000000 0.2209302), wk = 0.0029940 k( 316) = ( 0.2093023 -0.0000000 0.2093023), wk = 0.0029940 k( 317) = ( 0.1976744 -0.0000000 0.1976744), wk = 0.0029940 k( 318) = ( 0.1860465 -0.0000000 0.1860465), wk = 0.0029940 k( 319) = ( 0.1744186 -0.0000000 0.1744186), wk = 0.0029940 k( 320) = ( 0.1627907 -0.0000000 0.1627907), wk = 0.0029940 k( 321) = ( 0.1511628 -0.0000000 0.1511628), wk = 0.0029940 k( 322) = ( 0.1395349 -0.0000000 0.1395349), wk = 0.0029940 k( 323) = ( 0.1279070 -0.0000000 0.1279070), wk = 0.0029940 k( 324) = ( 0.1162791 -0.0000000 0.1162791), wk = 0.0029940 k( 325) = ( 0.1046512 -0.0000000 0.1046512), wk = 0.0029940 k( 326) = ( 0.0930233 -0.0000000 0.0930233), wk = 0.0029940 k( 327) = ( 0.0813954 -0.0000000 0.0813954), wk = 0.0029940 k( 328) = ( 0.0697674 -0.0000000 0.0697674), wk = 0.0029940 k( 329) = ( 0.0581395 -0.0000000 0.0581395), wk = 0.0029940 k( 330) = ( 0.0465116 -0.0000000 0.0465116), wk = 0.0029940 k( 331) = ( 0.0348837 -0.0000000 0.0348837), wk = 0.0029940 k( 332) = ( 0.0232558 -0.0000000 0.0232558), wk = 0.0029940 k( 333) = ( 0.0116279 -0.0000000 0.0116279), wk = 0.0029940 k( 334) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 Dense grid: 74649 G-vectors FFT dimensions: ( 48, 48, 72) Smooth grid: 32801 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 196, 60) NL pseudopotentials 0.21 Mb ( 98, 142) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1556) G-vector shells 0.01 Mb ( 1534) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.72 Mb ( 196, 240) Each subspace H/S matrix 0.88 Mb ( 240, 240) Each matrix 0.26 Mb ( 142, 2, 60) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BixBO2x3.save/charge-density.dat negative rho (up, down): 5.884E-05 0.000E+00 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 40.7 secs Computing kpt #: 2 total cpu time spent up to now is 44.4 secs Computing kpt #: 3 total cpu time spent up to now is 47.2 secs Computing kpt #: 4 total cpu time spent up to now is 51.6 secs Computing kpt #: 5 total cpu time spent up to now is 55.6 secs Computing kpt #: 6 total cpu time spent up to now is 58.5 secs Computing kpt #: 7 total cpu time spent up to now is 61.6 secs Computing kpt #: 8 total cpu time spent up to now is 64.5 secs Computing kpt #: 9 total cpu time spent up to now is 67.6 secs Computing kpt #: 10 total cpu time spent up to now is 70.7 secs Computing kpt #: 11 total cpu time spent up to now is 73.8 secs Computing kpt #: 12 total cpu time spent up to now is 76.9 secs Computing kpt #: 13 total cpu time spent up to now is 80.3 secs Computing kpt #: 14 total cpu time spent up to now is 83.4 secs Computing kpt #: 15 total cpu time spent up to now is 86.5 secs Computing kpt #: 16 total cpu time spent up to now is 89.5 secs Computing kpt #: 17 total cpu time spent up to now is 92.7 secs Computing kpt #: 18 total cpu time spent up to now is 95.7 secs Computing kpt #: 19 total cpu time spent up to now is 98.9 secs Computing kpt #: 20 total cpu time spent up to now is 101.9 secs Computing kpt #: 21 total cpu time spent up to now is 105.1 secs Computing kpt #: 22 total cpu time spent up to now is 108.0 secs Computing kpt #: 23 total cpu time spent up to now is 111.1 secs Computing kpt #: 24 total cpu time spent up to now is 114.3 secs Computing kpt #: 25 total cpu time spent up to now is 117.4 secs Computing kpt #: 26 total cpu time spent up to now is 120.3 secs Computing kpt #: 27 total cpu time spent up to now is 123.3 secs Computing kpt #: 28 total cpu time spent up to now is 126.2 secs Computing kpt #: 29 total cpu time spent up to now is 129.1 secs Computing kpt #: 30 total cpu time spent up to now is 131.8 secs Computing kpt #: 31 total cpu time spent up to now is 134.5 secs Computing kpt #: 32 total cpu time spent up to now is 137.2 secs Computing kpt #: 33 total cpu time spent up to now is 139.8 secs Computing kpt #: 34 total cpu time spent up to now is 142.3 secs Computing kpt #: 35 total cpu time spent up to now is 145.0 secs Computing kpt #: 36 total cpu time spent up to now is 147.5 secs Computing kpt #: 37 total cpu time spent up to now is 149.9 secs Computing kpt #: 38 total cpu time spent up to now is 152.4 secs Computing kpt #: 39 total cpu time spent up to now is 154.8 secs Computing kpt #: 40 total cpu time spent up to now is 157.2 secs Computing kpt #: 41 total cpu time spent up to now is 159.6 secs Computing kpt #: 42 total cpu time spent up to now is 162.0 secs Computing kpt #: 43 total cpu time spent up to now is 164.4 secs Computing kpt #: 44 total cpu time spent up to now is 166.8 secs Computing kpt #: 45 total cpu time spent up to now is 169.1 secs Computing kpt #: 46 total cpu time spent up to now is 171.5 secs Computing kpt #: 47 total cpu time spent up to now is 174.0 secs Computing kpt #: 48 total cpu time spent up to now is 176.6 secs Computing kpt #: 49 total cpu time spent up to now is 179.0 secs Computing kpt #: 50 total cpu time spent up to now is 181.5 secs Computing kpt #: 51 total cpu time spent up to now is 184.1 secs Computing kpt #: 52 total cpu time spent up to now is 186.5 secs Computing kpt #: 53 total cpu time spent up to now is 188.9 secs Computing kpt #: 54 total cpu time spent up to now is 191.5 secs Computing kpt #: 55 total cpu time spent up to now is 194.3 secs Computing kpt #: 56 total cpu time spent up to now is 196.7 secs Computing kpt #: 57 total cpu time spent up to now is 199.1 secs Computing kpt #: 58 total cpu time spent up to now is 201.6 secs Computing kpt #: 59 total cpu time spent up to now is 204.1 secs Computing kpt #: 60 total cpu time spent up to now is 206.5 secs Computing kpt #: 61 total cpu time spent up to now is 209.0 secs Computing kpt #: 62 total cpu time spent up to now is 211.5 secs Computing kpt #: 63 total cpu time spent up to now is 213.9 secs Computing kpt #: 64 total cpu time spent up to now is 216.5 secs Computing kpt #: 65 total cpu time spent up to now is 219.0 secs Computing kpt #: 66 total cpu time spent up to now is 221.4 secs Computing kpt #: 67 total cpu time spent up to now is 223.9 secs Computing kpt #: 68 total cpu time spent up to now is 226.4 secs Computing kpt #: 69 total cpu time spent up to now is 228.9 secs Computing kpt #: 70 total cpu time spent up to now is 231.5 secs Computing kpt #: 71 total cpu time spent up to now is 234.0 secs Computing kpt #: 72 total cpu time spent up to now is 236.5 secs Computing kpt #: 73 total cpu time spent up to now is 239.0 secs Computing kpt #: 74 total cpu time spent up to now is 241.7 secs Computing kpt #: 75 total cpu time spent up to now is 244.3 secs Computing kpt #: 76 total cpu time spent up to now is 247.2 secs Computing kpt #: 77 total cpu time spent up to now is 249.7 secs Computing kpt #: 78 total cpu time spent up to now is 252.2 secs Computing kpt #: 79 total cpu time spent up to now is 254.7 secs Computing kpt #: 80 total cpu time spent up to now is 257.1 secs Computing kpt #: 81 total cpu time spent up to now is 259.8 secs Computing kpt #: 82 total cpu time spent up to now is 262.3 secs Computing kpt #: 83 total cpu time spent up to now is 264.8 secs Computing kpt #: 84 total cpu time spent up to now is 267.2 secs Computing kpt #: 85 total cpu time spent up to now is 269.8 secs Computing kpt #: 86 total cpu time spent up to now is 272.3 secs Computing kpt #: 87 total cpu time spent up to now is 275.1 secs Computing kpt #: 88 total cpu time spent up to now is 277.4 secs Computing kpt #: 89 total cpu time spent up to now is 279.7 secs Computing kpt #: 90 total cpu time spent up to now is 282.4 secs Computing kpt #: 91 total cpu time spent up to now is 285.2 secs Computing kpt #: 92 total cpu time spent up to now is 287.9 secs Computing kpt #: 93 total cpu time spent up to now is 290.2 secs Computing kpt #: 94 total cpu time spent up to now is 293.1 secs Computing kpt #: 95 total cpu time spent up to now is 295.6 secs Computing kpt #: 96 total cpu time spent up to now is 297.8 secs Computing kpt #: 97 total cpu time spent up to now is 300.5 secs Computing kpt #: 98 total cpu time spent up to now is 303.4 secs Computing kpt #: 99 total cpu time spent up to now is 305.8 secs Computing kpt #: 100 total cpu time spent up to now is 308.0 secs Computing kpt #: 101 total cpu time spent up to now is 310.3 secs Computing kpt #: 102 total cpu time spent up to now is 312.5 secs Computing kpt #: 103 total cpu time spent up to now is 314.9 secs Computing kpt #: 104 total cpu time spent up to now is 317.1 secs Computing kpt #: 105 total cpu time spent up to now is 319.2 secs Computing kpt #: 106 total cpu time spent up to now is 321.4 secs Computing kpt #: 107 total cpu time spent up to now is 323.6 secs Computing kpt #: 108 total cpu time spent up to now is 325.8 secs Computing kpt #: 109 total cpu time spent up to now is 328.0 secs Computing kpt #: 110 total cpu time spent up to now is 330.2 secs Computing kpt #: 111 total cpu time spent up to now is 334.2 secs Computing kpt #: 112 total cpu time spent up to now is 336.4 secs Computing kpt #: 113 total cpu time spent up to now is 338.6 secs Computing kpt #: 114 total cpu time spent up to now is 340.8 secs Computing kpt #: 115 total cpu time spent up to now is 343.2 secs Computing kpt #: 116 total cpu time spent up to now is 345.4 secs Computing kpt #: 117 total cpu time spent up to now is 348.2 secs Computing kpt #: 118 total cpu time spent up to now is 351.6 secs Computing kpt #: 119 total cpu time spent up to now is 354.7 secs Computing kpt #: 120 total cpu time spent up to now is 357.1 secs Computing kpt #: 121 total cpu time spent up to now is 360.2 secs Computing kpt #: 122 total cpu time spent up to now is 363.4 secs Computing kpt #: 123 total cpu time spent up to now is 366.2 secs Computing kpt #: 124 total cpu time spent up to now is 368.6 secs Computing kpt #: 125 total cpu time spent up to now is 371.3 secs Computing kpt #: 126 total cpu time spent up to now is 374.3 secs Computing kpt #: 127 total cpu time spent up to now is 376.8 secs Computing kpt #: 128 total cpu time spent up to now is 379.3 secs Computing kpt #: 129 total cpu time spent up to now is 382.0 secs Computing kpt #: 130 total cpu time spent up to now is 384.8 secs Computing kpt #: 131 total cpu time spent up to now is 387.7 secs Computing kpt #: 132 total cpu time spent up to now is 390.3 secs Computing kpt #: 133 total cpu time spent up to now is 393.6 secs Computing kpt #: 134 total cpu time spent up to now is 396.7 secs Computing kpt #: 135 total cpu time spent up to now is 399.5 secs Computing kpt #: 136 total cpu time spent up to now is 402.6 secs Computing kpt #: 137 total cpu time spent up to now is 405.5 secs Computing kpt #: 138 total cpu time spent up to now is 408.5 secs Computing kpt #: 139 total cpu time spent up to now is 411.4 secs Computing kpt #: 140 total cpu time spent up to now is 414.4 secs Computing kpt #: 141 total cpu time spent up to now is 417.3 secs Computing kpt #: 142 total cpu time spent up to now is 420.2 secs Computing kpt #: 143 total cpu time spent up to now is 423.1 secs Computing kpt #: 144 total cpu time spent up to now is 426.0 secs Computing kpt #: 145 total cpu time spent up to now is 429.0 secs Computing kpt #: 146 total cpu time spent up to now is 431.8 secs Computing kpt #: 147 total cpu time spent up to now is 434.6 secs Computing kpt #: 148 total cpu time spent up to now is 437.8 secs Computing kpt #: 149 total cpu time spent up to now is 440.9 secs Computing kpt #: 150 total cpu time spent up to now is 443.8 secs Computing kpt #: 151 total cpu time spent up to now is 446.8 secs Computing kpt #: 152 total cpu time spent up to now is 449.7 secs Computing kpt #: 153 total cpu time spent up to now is 452.7 secs Computing kpt #: 154 total cpu time spent up to now is 455.7 secs Computing kpt #: 155 total cpu time spent up to now is 459.9 secs Computing kpt #: 156 total cpu time spent up to now is 463.4 secs Computing kpt #: 157 total cpu time spent up to now is 466.4 secs Computing kpt #: 158 total cpu time spent up to now is 469.6 secs Computing kpt #: 159 total cpu time spent up to now is 472.5 secs Computing kpt #: 160 total cpu time spent up to now is 475.7 secs Computing kpt #: 161 total cpu time spent up to now is 478.7 secs Computing kpt #: 162 total cpu time spent up to now is 481.7 secs Computing kpt #: 163 total cpu time spent up to now is 484.6 secs Computing kpt #: 164 total cpu time spent up to now is 487.6 secs Computing kpt #: 165 total cpu time spent up to now is 490.5 secs Computing kpt #: 166 total cpu time spent up to now is 493.6 secs Computing kpt #: 167 total cpu time spent up to now is 496.6 secs Computing kpt #: 168 total cpu time spent up to now is 499.5 secs Computing kpt #: 169 total cpu time spent up to now is 502.7 secs Computing kpt #: 170 total cpu time spent up to now is 506.7 secs Computing kpt #: 171 total cpu time spent up to now is 509.6 secs Computing kpt #: 172 total cpu time spent up to now is 512.5 secs Computing kpt #: 173 total cpu time spent up to now is 515.4 secs Computing kpt #: 174 total cpu time spent up to now is 518.4 secs Computing kpt #: 175 total cpu time spent up to now is 521.1 secs Computing kpt #: 176 total cpu time spent up to now is 524.5 secs Computing kpt #: 177 total cpu time spent up to now is 527.4 secs Computing kpt #: 178 total cpu time spent up to now is 530.1 secs Computing kpt #: 179 total cpu time spent up to now is 532.7 secs Computing kpt #: 180 total cpu time spent up to now is 535.3 secs Computing kpt #: 181 total cpu time spent up to now is 537.9 secs Computing kpt #: 182 total cpu time spent up to now is 540.5 secs Computing kpt #: 183 total cpu time spent up to now is 543.0 secs Computing kpt #: 184 total cpu time spent up to now is 545.5 secs Computing kpt #: 185 total cpu time spent up to now is 547.8 secs Computing kpt #: 186 total cpu time spent up to now is 550.3 secs Computing kpt #: 187 total cpu time spent up to now is 552.7 secs Computing kpt #: 188 total cpu time spent up to now is 555.2 secs Computing kpt #: 189 total cpu time spent up to now is 557.6 secs Computing kpt #: 190 total cpu time spent up to now is 560.1 secs Computing kpt #: 191 total cpu time spent up to now is 562.4 secs Computing kpt #: 192 total cpu time spent up to now is 564.8 secs Computing kpt #: 193 total cpu time spent up to now is 567.3 secs Computing kpt #: 194 total cpu time spent up to now is 569.7 secs Computing kpt #: 195 total cpu time spent up to now is 572.2 secs Computing kpt #: 196 total cpu time spent up to now is 574.5 secs Computing kpt #: 197 total cpu time spent up to now is 578.2 secs Computing kpt #: 198 total cpu time spent up to now is 580.5 secs Computing kpt #: 199 total cpu time spent up to now is 583.4 secs Computing kpt #: 200 total cpu time spent up to now is 585.7 secs Computing kpt #: 201 total cpu time spent up to now is 588.1 secs Computing kpt #: 202 total cpu time spent up to now is 590.3 secs Computing kpt #: 203 total cpu time spent up to now is 592.7 secs Computing kpt #: 204 total cpu time spent up to now is 595.1 secs Computing kpt #: 205 total cpu time spent up to now is 597.4 secs Computing kpt #: 206 total cpu time spent up to now is 599.6 secs Computing kpt #: 207 total cpu time spent up to now is 601.9 secs Computing kpt #: 208 total cpu time spent up to now is 604.1 secs Computing kpt #: 209 total cpu time spent up to now is 606.4 secs Computing kpt #: 210 total cpu time spent up to now is 608.8 secs Computing kpt #: 211 total cpu time spent up to now is 611.0 secs Computing kpt #: 212 total cpu time spent up to now is 613.3 secs Computing kpt #: 213 total cpu time spent up to now is 615.5 secs Computing kpt #: 214 total cpu time spent up to now is 617.9 secs Computing kpt #: 215 total cpu time spent up to now is 620.2 secs Computing kpt #: 216 total cpu time spent up to now is 622.5 secs Computing kpt #: 217 total cpu time spent up to now is 624.8 secs Computing kpt #: 218 total cpu time spent up to now is 627.0 secs Computing kpt #: 219 total cpu time spent up to now is 629.5 secs Computing kpt #: 220 total cpu time spent up to now is 631.9 secs Computing kpt #: 221 total cpu time spent up to now is 634.4 secs Computing kpt #: 222 total cpu time spent up to now is 637.4 secs Computing kpt #: 223 total cpu time spent up to now is 640.2 secs Computing kpt #: 224 total cpu time spent up to now is 643.0 secs Computing kpt #: 225 total cpu time spent up to now is 645.7 secs Computing kpt #: 226 total cpu time spent up to now is 648.7 secs Computing kpt #: 227 total cpu time spent up to now is 652.2 secs Computing kpt #: 228 total cpu time spent up to now is 655.5 secs Computing kpt #: 229 total cpu time spent up to now is 658.0 secs Computing kpt #: 230 total cpu time spent up to now is 660.7 secs Computing kpt #: 231 total cpu time spent up to now is 663.2 secs Computing kpt #: 232 total cpu time spent up to now is 665.9 secs Computing kpt #: 233 total cpu time spent up to now is 668.6 secs Computing kpt #: 234 total cpu time spent up to now is 671.3 secs Computing kpt #: 235 total cpu time spent up to now is 674.0 secs Computing kpt #: 236 total cpu time spent up to now is 676.7 secs Computing kpt #: 237 total cpu time spent up to now is 679.5 secs Computing kpt #: 238 total cpu time spent up to now is 682.2 secs Computing kpt #: 239 total cpu time spent up to now is 684.9 secs Computing kpt #: 240 total cpu time spent up to now is 687.6 secs Computing kpt #: 241 total cpu time spent up to now is 690.4 secs Computing kpt #: 242 total cpu time spent up to now is 693.2 secs Computing kpt #: 243 total cpu time spent up to now is 696.0 secs Computing kpt #: 244 total cpu time spent up to now is 698.8 secs Computing kpt #: 245 total cpu time spent up to now is 701.6 secs Computing kpt #: 246 total cpu time spent up to now is 704.6 secs Computing kpt #: 247 total cpu time spent up to now is 707.3 secs Computing kpt #: 248 total cpu time spent up to now is 710.2 secs Computing kpt #: 249 total cpu time spent up to now is 713.1 secs Computing kpt #: 250 total cpu time spent up to now is 715.9 secs Computing kpt #: 251 total cpu time spent up to now is 718.7 secs Computing kpt #: 252 total cpu time spent up to now is 721.6 secs Computing kpt #: 253 total cpu time spent up to now is 724.5 secs Computing kpt #: 254 total cpu time spent up to now is 727.3 secs Computing kpt #: 255 total cpu time spent up to now is 730.2 secs Computing kpt #: 256 total cpu time spent up to now is 733.0 secs Computing kpt #: 257 total cpu time spent up to now is 735.9 secs Computing kpt #: 258 total cpu time spent up to now is 738.7 secs Computing kpt #: 259 total cpu time spent up to now is 741.6 secs Computing kpt #: 260 total cpu time spent up to now is 744.4 secs Computing kpt #: 261 total cpu time spent up to now is 747.5 secs Computing kpt #: 262 total cpu time spent up to now is 750.5 secs Computing kpt #: 263 total cpu time spent up to now is 753.3 secs Computing kpt #: 264 total cpu time spent up to now is 756.1 secs Computing kpt #: 265 total cpu time spent up to now is 759.0 secs Computing kpt #: 266 total cpu time spent up to now is 763.5 secs Computing kpt #: 267 total cpu time spent up to now is 766.2 secs Computing kpt #: 268 total cpu time spent up to now is 769.0 secs Computing kpt #: 269 total cpu time spent up to now is 771.7 secs Computing kpt #: 270 total cpu time spent up to now is 774.6 secs Computing kpt #: 271 total cpu time spent up to now is 777.4 secs Computing kpt #: 272 total cpu time spent up to now is 780.0 secs Computing kpt #: 273 total cpu time spent up to now is 782.6 secs Computing kpt #: 274 total cpu time spent up to now is 785.7 secs Computing kpt #: 275 total cpu time spent up to now is 788.4 secs Computing kpt #: 276 total cpu time spent up to now is 791.1 secs Computing kpt #: 277 total cpu time spent up to now is 793.9 secs Computing kpt #: 278 total cpu time spent up to now is 796.6 secs Computing kpt #: 279 total cpu time spent up to now is 799.7 secs Computing kpt #: 280 total cpu time spent up to now is 802.4 secs Computing kpt #: 281 total cpu time spent up to now is 805.0 secs Computing kpt #: 282 total cpu time spent up to now is 807.7 secs Computing kpt #: 283 total cpu time spent up to now is 810.3 secs Computing kpt #: 284 total cpu time spent up to now is 812.8 secs Computing kpt #: 285 total cpu time spent up to now is 815.4 secs Computing kpt #: 286 total cpu time spent up to now is 817.9 secs Computing kpt #: 287 total cpu time spent up to now is 820.4 secs Computing kpt #: 288 total cpu time spent up to now is 823.1 secs Computing kpt #: 289 total cpu time spent up to now is 825.9 secs Computing kpt #: 290 total cpu time spent up to now is 828.5 secs Computing kpt #: 291 total cpu time spent up to now is 830.8 secs Computing kpt #: 292 total cpu time spent up to now is 833.1 secs Computing kpt #: 293 total cpu time spent up to now is 835.4 secs Computing kpt #: 294 total cpu time spent up to now is 838.0 secs Computing kpt #: 295 total cpu time spent up to now is 840.5 secs Computing kpt #: 296 total cpu time spent up to now is 842.9 secs Computing kpt #: 297 total cpu time spent up to now is 845.3 secs Computing kpt #: 298 total cpu time spent up to now is 847.9 secs Computing kpt #: 299 total cpu time spent up to now is 850.3 secs Computing kpt #: 300 total cpu time spent up to now is 852.6 secs Computing kpt #: 301 total cpu time spent up to now is 855.1 secs Computing kpt #: 302 total cpu time spent up to now is 857.7 secs Computing kpt #: 303 total cpu time spent up to now is 860.4 secs Computing kpt #: 304 total cpu time spent up to now is 862.9 secs Computing kpt #: 305 total cpu time spent up to now is 865.4 secs Computing kpt #: 306 total cpu time spent up to now is 868.1 secs Computing kpt #: 307 total cpu time spent up to now is 870.8 secs Computing kpt #: 308 total cpu time spent up to now is 873.5 secs Computing kpt #: 309 total cpu time spent up to now is 876.9 secs Computing kpt #: 310 total cpu time spent up to now is 879.6 secs Computing kpt #: 311 total cpu time spent up to now is 882.3 secs Computing kpt #: 312 total cpu time spent up to now is 885.0 secs Computing kpt #: 313 total cpu time spent up to now is 887.8 secs Computing kpt #: 314 total cpu time spent up to now is 890.5 secs Computing kpt #: 315 total cpu time spent up to now is 893.2 secs Computing kpt #: 316 total cpu time spent up to now is 896.0 secs Computing kpt #: 317 total cpu time spent up to now is 898.7 secs Computing kpt #: 318 total cpu time spent up to now is 901.5 secs Computing kpt #: 319 total cpu time spent up to now is 904.5 secs Computing kpt #: 320 total cpu time spent up to now is 907.4 secs Computing kpt #: 321 total cpu time spent up to now is 910.2 secs Computing kpt #: 322 total cpu time spent up to now is 913.1 secs Computing kpt #: 323 total cpu time spent up to now is 915.9 secs Computing kpt #: 324 total cpu time spent up to now is 918.6 secs Computing kpt #: 325 total cpu time spent up to now is 921.4 secs Computing kpt #: 326 total cpu time spent up to now is 924.2 secs Computing kpt #: 327 total cpu time spent up to now is 927.1 secs Computing kpt #: 328 total cpu time spent up to now is 929.9 secs Computing kpt #: 329 total cpu time spent up to now is 932.7 secs Computing kpt #: 330 total cpu time spent up to now is 935.6 secs Computing kpt #: 331 total cpu time spent up to now is 938.5 secs Computing kpt #: 332 total cpu time spent up to now is 941.3 secs Computing kpt #: 333 total cpu time spent up to now is 944.1 secs Computing kpt #: 334 total cpu time spent up to now is 946.8 secs ethr = 2.00E-11, avg # of iterations = 36.2 total cpu time spent up to now is 947.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4099 PWs) bands (ev): -16.4365 -16.4365 -15.0770 -15.0770 -14.4392 -14.4392 -13.8615 -13.8615 -13.7786 -13.7786 -13.3984 -13.3984 -5.3345 -5.3345 -4.6003 -4.6003 -3.5423 -3.5423 -2.8345 -2.8345 -2.7808 -2.7808 -1.2400 -1.2400 -0.3324 -0.3324 0.0071 0.0071 0.2522 0.2522 1.1106 1.1106 1.4447 1.4447 1.8457 1.8457 2.1624 2.1624 2.2637 2.2637 2.3911 2.3911 2.7475 2.7475 2.8968 2.8968 3.1262 3.1262 3.2861 3.2861 8.1550 8.1550 9.8578 9.8578 10.4172 10.4172 10.8770 10.8770 12.1685 12.1685 k = 0.0109 0.0076-0.0037 ( 4099 PWs) bands (ev): -16.4360 -16.4358 -15.0773 -15.0767 -14.4394 -14.4387 -13.8623 -13.8622 -13.7789 -13.7781 -13.3994 -13.3983 -5.3344 -5.3339 -4.6030 -4.6027 -3.5415 -3.5408 -2.8390 -2.8259 -2.7845 -2.7742 -1.2461 -1.2348 -0.3354 -0.3328 -0.0096 0.0215 0.2463 0.2598 1.1025 1.1188 1.4280 1.4617 1.8332 1.8392 2.1627 2.1764 2.2647 2.2683 2.3912 2.3920 2.7465 2.7474 2.8971 2.8978 3.1258 3.1260 3.2856 3.2858 8.1418 8.1677 9.8455 9.8689 10.4029 10.4295 10.8646 10.8948 12.1604 12.1780 k = 0.0217 0.0152-0.0074 ( 4094 PWs) bands (ev): -16.4343 -16.4340 -15.0775 -15.0763 -14.4393 -14.4379 -13.8647 -13.8644 -13.7790 -13.7773 -13.4014 -13.3993 -5.3338 -5.3327 -4.6107 -4.6102 -3.5383 -3.5370 -2.8399 -2.8138 -2.7851 -2.7646 -1.2531 -1.2304 -0.3419 -0.3361 -0.0274 0.0321 0.2431 0.2683 1.0948 1.1267 1.4121 1.4784 1.8060 1.8154 2.1762 2.1980 2.2707 2.2801 2.3925 2.3944 2.7444 2.7462 2.8989 2.9002 3.1249 3.1254 3.2844 3.2849 8.1281 8.1797 9.8320 9.8787 10.3882 10.4379 10.8589 10.9166 12.1539 12.1889 k = 0.0326 0.0229-0.0111 ( 4094 PWs) bands (ev): -16.4314 -16.4310 -15.0775 -15.0758 -14.4390 -14.4368 -13.8685 -13.8681 -13.7788 -13.7764 -13.4043 -13.4012 -5.3327 -5.3310 -4.6232 -4.6224 -3.5329 -3.5309 -2.8375 -2.8006 -2.7801 -2.7514 -1.2608 -1.2270 -0.3523 -0.3422 -0.0449 0.0382 0.2429 0.2767 1.0875 1.1336 1.3975 1.4941 1.7688 1.7812 2.1966 2.2190 2.2818 2.2997 2.3961 2.4001 2.7413 2.7439 2.9019 2.9038 3.1234 3.1243 3.2826 3.2833 8.1139 8.1910 9.8172 9.8873 10.3748 10.4411 10.8609 10.9413 12.1490 12.2011 k = 0.0435 0.0305-0.0148 ( 4092 PWs) bands (ev): -16.4274 -16.4268 -15.0776 -15.0753 -14.4383 -14.4355 -13.8737 -13.8733 -13.7785 -13.7754 -13.4082 -13.4041 -5.3313 -5.3289 -4.6399 -4.6387 -3.5253 -3.5227 -2.8327 -2.7922 -2.7640 -2.7345 -1.2693 -1.2245 -0.3670 -0.3511 -0.0609 0.0397 0.2456 0.2844 1.0808 1.1386 1.3847 1.5080 1.7243 1.7446 2.2172 2.2359 2.2971 2.3220 2.4039 2.4139 2.7371 2.7407 2.9062 2.9087 3.1215 3.1227 3.2802 3.2811 8.0994 8.2016 9.8012 9.8946 10.3638 10.4383 10.8711 10.9681 12.1458 12.2145 k = 0.0543 0.0381-0.0184 ( 4090 PWs) bands (ev): -16.4222 -16.4215 -15.0775 -15.0746 -14.4375 -14.4339 -13.8803 -13.8798 -13.7781 -13.7744 -13.4130 -13.4078 -5.3298 -5.3267 -4.6601 -4.6586 -3.5156 -3.5124 -2.8259 -2.7869 -2.7391 -2.7137 -1.2783 -1.2227 -0.3862 -0.3627 -0.0748 0.0374 0.2504 0.2907 1.0744 1.1407 1.3742 1.5184 1.6755 1.7113 2.2352 2.2502 2.3127 2.3376 2.4191 2.4409 2.7322 2.7365 2.9116 2.9146 3.1190 3.1205 3.2772 3.2784 8.0846 8.2113 9.7840 9.9009 10.3559 10.4298 10.8891 10.9965 12.1441 12.2289 k = 0.0652 0.0457-0.0221 ( 4093 PWs) bands (ev): -16.4159 -16.4149 -15.0773 -15.0739 -14.4364 -14.4322 -13.8880 -13.8876 -13.7777 -13.7733 -13.4186 -13.4125 -5.3287 -5.3248 -4.6830 -4.6810 -3.5040 -3.5002 -2.8176 -2.7813 -2.7092 -2.6889 -1.2878 -1.2218 -0.4096 -0.3769 -0.0861 0.0322 0.2560 0.2954 1.0683 1.1389 1.3654 1.5231 1.6257 1.6854 2.2510 2.2636 2.3238 2.3446 2.4436 2.4795 2.7267 2.7318 2.9179 2.9215 3.1161 3.1178 3.2738 3.2753 8.0696 8.2202 9.7656 9.9062 10.3513 10.4167 10.9137 11.0260 12.1441 12.2440 k = 0.0761 0.0533-0.0258 ( 4097 PWs) bands (ev): -16.4083 -16.4073 -15.0770 -15.0732 -14.4352 -14.4303 -13.8970 -13.8966 -13.7773 -13.7723 -13.4251 -13.4180 -5.3284 -5.3236 -4.7075 -4.7050 -3.4907 -3.4863 -2.8080 -2.7745 -2.6755 -2.6603 -1.2977 -1.2215 -0.4369 -0.3939 -0.0949 0.0252 0.2613 0.2981 1.0621 1.1324 1.3571 1.5181 1.5798 1.6707 2.2656 2.2769 2.3295 2.3469 2.4756 2.5235 2.7211 2.7270 2.9250 2.9291 3.1125 3.1146 3.2702 3.2718 8.0545 8.2281 9.7464 9.9107 10.3497 10.4010 10.9435 11.0563 12.1457 12.2597 k = 0.0870 0.0610-0.0295 ( 4097 PWs) bands (ev): -16.3997 -16.3985 -15.0767 -15.0723 -14.4338 -14.4284 -13.9070 -13.9068 -13.7769 -13.7713 -13.4323 -13.4244 -5.3296 -5.3236 -4.7325 -4.7295 -3.4757 -3.4708 -2.7974 -2.7664 -2.6388 -2.6285 -1.3078 -1.2218 -0.4675 -0.4133 -0.1014 0.0172 0.2654 0.2985 1.0550 1.1213 1.3468 1.4945 1.5509 1.6675 2.2791 2.2901 2.3322 2.3477 2.5106 2.5679 2.7167 2.7229 2.9327 2.9373 3.1085 3.1109 3.2665 3.2684 8.0393 8.2351 9.7264 9.9149 10.3484 10.3864 10.9773 11.0872 12.1487 12.2759 k = 0.0978 0.0686-0.0332 ( 4097 PWs) bands (ev): -16.3899 -16.3885 -15.0763 -15.0714 -14.4324 -14.4264 -13.9181 -13.9181 -13.7766 -13.7704 -13.4403 -13.4314 -5.3329 -5.3257 -4.7569 -4.7531 -3.4593 -3.4540 -2.7857 -2.7570 -2.5996 -2.5937 -1.3180 -1.2224 -0.5007 -0.4351 -0.1062 0.0086 0.2677 0.2967 1.0458 1.1063 1.3323 1.4538 1.5441 1.6726 2.2903 2.3022 2.3352 2.3496 2.5444 2.6075 2.7162 2.7216 2.9407 2.9458 3.1038 3.1067 3.2631 3.2652 8.0242 8.2410 9.7060 9.9190 10.3401 10.3810 11.0140 11.1186 12.1532 12.2922 k = 0.1087 0.0762-0.0369 ( 4099 PWs) bands (ev): -16.3789 -16.3774 -15.0757 -15.0704 -14.4310 -14.4244 -13.9303 -13.9302 -13.7763 -13.7696 -13.4489 -13.4392 -5.3392 -5.3307 -4.7792 -4.7746 -3.4417 -3.4360 -2.7729 -2.7462 -2.5585 -2.5566 -1.3282 -1.2234 -0.5358 -0.4590 -0.1098 -0.0004 0.2680 0.2926 1.0323 1.0887 1.3131 1.4110 1.5498 1.6825 2.2968 2.3105 2.3422 2.3556 2.5726 2.6338 2.7221 2.7305 2.9487 2.9545 3.0987 3.1020 3.2602 3.2626 8.0091 8.2458 9.6855 9.9232 10.3228 10.3874 11.0527 11.1504 12.1591 12.3084 k = 0.1196 0.0838-0.0406 ( 4103 PWs) bands (ev): -16.3668 -16.3652 -15.0751 -15.0694 -14.4298 -14.4226 -13.9435 -13.9433 -13.7761 -13.7689 -13.4581 -13.4476 -5.3494 -5.3395 -4.7981 -4.7926 -3.4231 -3.4171 -2.7590 -2.7340 -2.5175 -2.5160 -1.3383 -1.2245 -0.5723 -0.4847 -0.1127 -0.0097 0.2662 0.2865 1.0118 1.0704 1.2902 1.3727 1.5637 1.6945 2.2979 2.3132 2.3547 2.3677 2.5909 2.6417 2.7337 2.7578 2.9566 2.9632 3.0930 3.0969 3.2584 3.2611 7.9942 8.2496 9.6651 9.9279 10.3021 10.4001 11.0928 11.1826 12.1663 12.3244 k = 0.1304 0.0915-0.0443 ( 4103 PWs) bands (ev): -16.3536 -16.3519 -15.0744 -15.0683 -14.4287 -14.4211 -13.9575 -13.9571 -13.7760 -13.7682 -13.4678 -13.4565 -5.3641 -5.3528 -4.8125 -4.8060 -3.4037 -3.3974 -2.7438 -2.7203 -2.4770 -2.4725 -1.3481 -1.2256 -0.6095 -0.5120 -0.1154 -0.0194 0.2624 0.2787 0.9833 1.0510 1.2658 1.3417 1.5832 1.7073 2.2953 2.3123 2.3709 2.3845 2.5980 2.6380 2.7536 2.7940 2.9641 2.9718 3.0869 3.0915 3.2582 3.2613 7.9795 8.2523 9.6452 9.9332 10.2808 10.4166 11.1336 11.2150 12.1746 12.3400 k = 0.1413 0.0991-0.0480 ( 4104 PWs) bands (ev): -16.3393 -16.3374 -15.0736 -15.0671 -14.4279 -14.4199 -13.9723 -13.9717 -13.7759 -13.7676 -13.4780 -13.4659 -5.3839 -5.3713 -4.8214 -4.8141 -3.3838 -3.3773 -2.7275 -2.7052 -2.4355 -2.4284 -1.3575 -1.2265 -0.6471 -0.5405 -0.1185 -0.0298 0.2572 0.2695 0.9479 1.0280 1.2432 1.3184 1.6062 1.7198 2.2909 2.3097 2.3891 2.4036 2.5964 2.6295 2.7790 2.8311 2.9709 2.9801 3.0807 3.0861 3.2600 3.2638 7.9652 8.2540 9.6261 9.9392 10.2601 10.4356 11.1748 11.2477 12.1839 12.3549 k = 0.1522 0.1067-0.0516 ( 4105 PWs) bands (ev): -16.3239 -16.3219 -15.0727 -15.0658 -14.4276 -14.4192 -13.9877 -13.9870 -13.7759 -13.7670 -13.4885 -13.4758 -5.4087 -5.3950 -4.8244 -4.8163 -3.3636 -3.3570 -2.7098 -2.6887 -2.3935 -2.3841 -1.3664 -1.2271 -0.6846 -0.5697 -0.1225 -0.0413 0.2509 0.2596 0.9077 0.9989 1.2256 1.3015 1.6311 1.7314 2.2855 2.3065 2.4088 2.4231 2.5899 2.6193 2.8058 2.8650 2.9766 2.9882 3.0748 3.0813 3.2645 3.2693 7.9513 8.2545 9.6081 9.9458 10.2407 10.4567 11.2162 11.2807 12.1942 12.3691 k = 0.1630 0.1143-0.0553 ( 4100 PWs) bands (ev): -16.3074 -16.3053 -15.0717 -15.0646 -14.4279 -14.4192 -14.0035 -14.0027 -13.7760 -13.7665 -13.4993 -13.4860 -5.4384 -5.4238 -4.8213 -4.8127 -3.3433 -3.3367 -2.6909 -2.6707 -2.3512 -2.3401 -1.3747 -1.2272 -0.7216 -0.5994 -0.1278 -0.0541 0.2440 0.2497 0.8641 0.9633 1.2145 1.2894 1.6565 1.7416 2.2799 2.3031 2.4292 2.4412 2.5810 2.6096 2.8309 2.8930 2.9808 2.9957 3.0705 3.0782 3.2722 3.2785 7.9379 8.2541 9.5912 9.9531 10.2229 10.4793 11.2574 11.3138 12.2053 12.3824 k = 0.1739 0.1219-0.0590 ( 4106 PWs) bands (ev): -16.2899 -16.2876 -15.0706 -15.0632 -14.4289 -14.4201 -14.0196 -14.0187 -13.7761 -13.7661 -13.5104 -13.4964 -5.4725 -5.4571 -4.8126 -4.8036 -3.3233 -3.3167 -2.6708 -2.6514 -2.3092 -2.2967 -1.3822 -1.2267 -0.7577 -0.6292 -0.1351 -0.0686 0.2366 0.2410 0.8183 0.9225 1.2091 1.2807 1.6812 1.7498 2.2744 2.2997 2.4495 2.4557 2.5717 2.6028 2.8525 2.9134 2.9829 3.0009 3.0689 3.0793 3.2832 3.2919 7.9250 8.2527 9.5758 9.9606 10.2073 10.5030 11.2983 11.3472 12.2171 12.3948 k = 0.1848 0.1296-0.0627 ( 4109 PWs) bands (ev): -16.2713 -16.2689 -15.0695 -15.0619 -14.4309 -14.4220 -14.0357 -14.0348 -13.7763 -13.7657 -13.5215 -13.5071 -5.5101 -5.4942 -4.7987 -4.7895 -3.3037 -3.2972 -2.6495 -2.6307 -2.2675 -2.2541 -1.3889 -1.2255 -0.7925 -0.6586 -0.1448 -0.0849 0.2289 0.2347 0.7711 0.8780 1.2079 1.2745 1.7041 1.7558 2.2692 2.2962 2.4618 2.4703 2.5635 2.6025 2.8694 2.9263 2.9818 3.0013 3.0711 3.0871 3.2979 3.3098 7.9127 8.2503 9.5619 9.9682 10.1944 10.5276 11.3387 11.3807 12.2294 12.4062 k = 0.1957 0.1372-0.0664 ( 4112 PWs) bands (ev): -16.2516 -16.2491 -15.0683 -15.0605 -14.4341 -14.4253 -14.0517 -14.0507 -13.7766 -13.7655 -13.5327 -13.5178 -5.5504 -5.5342 -4.7802 -4.7709 -3.2847 -3.2783 -2.6271 -2.6090 -2.2267 -2.2127 -1.3946 -1.2233 -0.8258 -0.6873 -0.1572 -0.1030 0.2221 0.2305 0.7230 0.8314 1.2096 1.2700 1.7242 1.7593 2.2646 2.2926 2.4611 2.4856 2.5591 2.6106 2.8812 2.9333 2.9774 2.9964 3.0770 3.1012 3.3160 3.3321 7.9011 8.2471 9.5497 9.9751 10.1848 10.5527 11.3784 11.4142 12.2421 12.4165 k = 0.2065 0.1448-0.0701 ( 4106 PWs) bands (ev): -16.2309 -16.2284 -15.0671 -15.0591 -14.4388 -14.4301 -14.0671 -14.0663 -13.7770 -13.7653 -13.5439 -13.5286 -5.5929 -5.5764 -4.7577 -4.7484 -3.2666 -3.2603 -2.6040 -2.5863 -2.1869 -2.1727 -1.3993 -1.2202 -0.8570 -0.7149 -0.1725 -0.1230 0.2172 0.2282 0.6747 0.7836 1.2130 1.2668 1.7402 1.7604 2.2606 2.2883 2.4529 2.4924 2.5637 2.6261 2.8886 2.9364 2.9699 2.9881 3.0866 3.1186 3.3372 3.3584 7.8903 8.2431 9.5391 9.9809 10.1791 10.5780 11.4175 11.4478 12.2552 12.4257 k = 0.2174 0.1524-0.0738 ( 4098 PWs) bands (ev): -16.2093 -16.2066 -15.0659 -15.0578 -14.4452 -14.4368 -14.0818 -14.0812 -13.7776 -13.7654 -13.5549 -13.5392 -5.6368 -5.6202 -4.7318 -4.7226 -3.2496 -3.2433 -2.5803 -2.5630 -2.1483 -2.1345 -1.4027 -1.2159 -0.8858 -0.7410 -0.1907 -0.1445 0.2147 0.2279 0.6263 0.7354 1.2172 1.2642 1.7492 1.7612 2.2568 2.2827 2.4403 2.4897 2.5787 2.6462 2.8923 2.9372 2.9603 2.9781 3.0987 3.1372 3.3612 3.3879 7.8802 8.2383 9.5303 9.9849 10.1778 10.6033 11.4559 11.4814 12.2684 12.4339 k = 0.2283 0.1600-0.0775 ( 4102 PWs) bands (ev): -16.1866 -16.1839 -15.0647 -15.0564 -14.4535 -14.4457 -14.0954 -14.0950 -13.7784 -13.7656 -13.5657 -13.5497 -5.6816 -5.6650 -4.7029 -4.6938 -3.2337 -3.2273 -2.5566 -2.5395 -2.1112 -2.0980 -1.4048 -1.2105 -0.9119 -0.7652 -0.2116 -0.1674 0.2146 0.2295 0.5782 0.6872 1.2218 1.2620 1.7471 1.7651 2.2528 2.2751 2.4256 2.4826 2.5993 2.6685 2.8936 2.9366 2.9497 2.9676 3.1125 3.1559 3.3873 3.4197 7.8710 8.2329 9.5232 9.9866 10.1812 10.6283 11.4934 11.5149 12.2815 12.4409 k = 0.2391 0.1677-0.0812 ( 4110 PWs) bands (ev): -16.1630 -16.1602 -15.0635 -15.0552 -14.4639 -14.4568 -14.1080 -14.1073 -13.7794 -13.7662 -13.5761 -13.5600 -5.7269 -5.7103 -4.6714 -4.6625 -3.2191 -3.2124 -2.5334 -2.5164 -2.0757 -2.0635 -1.4053 -1.2037 -0.9348 -0.7873 -0.2347 -0.1913 0.2169 0.2331 0.5307 0.6393 1.2261 1.2598 1.7388 1.7670 2.2474 2.2647 2.4110 2.4749 2.6218 2.6913 2.8935 2.9345 2.9390 2.9583 3.1272 3.1744 3.4149 3.4531 7.8626 8.2269 9.5178 9.9858 10.1894 10.6528 11.5301 11.5482 12.2946 12.4469 k = 0.2500 0.1753-0.0848 ( 4114 PWs) bands (ev): -16.1384 -16.1356 -15.0624 -15.0540 -14.4767 -14.4704 -14.1191 -14.1180 -13.7808 -13.7671 -13.5859 -13.5698 -5.7721 -5.7557 -4.6376 -4.6289 -3.2059 -3.1986 -2.5112 -2.4943 -2.0417 -2.0308 -1.4041 -1.1957 -0.9541 -0.8067 -0.2594 -0.2161 0.2215 0.2385 0.4839 0.5919 1.2299 1.2574 1.7269 1.7643 2.2393 2.2510 2.3983 2.4684 2.6443 2.7135 2.8931 2.9272 2.9317 2.9528 3.1425 3.1927 3.4436 3.4873 7.8552 8.2203 9.5141 9.9829 10.2018 10.6765 11.5659 11.5813 12.3074 12.4519 k = 0.2609 0.1829-0.0885 ( 4117 PWs) bands (ev): -16.1130 -16.1101 -15.0614 -15.0529 -14.4919 -14.4866 -14.1288 -14.1270 -13.7825 -13.7685 -13.5952 -13.5792 -5.8170 -5.8009 -4.6018 -4.5933 -3.1939 -3.1859 -2.4908 -2.4738 -2.0093 -1.9998 -1.4009 -1.1863 -0.9696 -0.8234 -0.2854 -0.2413 0.2280 0.2456 0.4380 0.5452 1.2328 1.2546 1.7118 1.7568 2.2270 2.2337 2.3888 2.4634 2.6653 2.7338 2.8935 2.9182 2.9246 2.9528 3.1583 3.2111 3.4729 3.5216 7.8487 8.2133 9.5120 9.9782 10.2178 10.6993 11.6008 11.6141 12.3198 12.4558 k = 0.2717 0.1905-0.0922 ( 4121 PWs) bands (ev): -16.0867 -16.0837 -15.0605 -15.0520 -14.5095 -14.5052 -14.1367 -14.1342 -13.7848 -13.7705 -13.6037 -13.5879 -5.8614 -5.8455 -4.5643 -4.5560 -3.1831 -3.1743 -2.4730 -2.4559 -1.9783 -1.9703 -1.3957 -1.1756 -0.9809 -0.8370 -0.3119 -0.2667 0.2358 0.2542 0.3935 0.4994 1.2346 1.2513 1.6938 1.7447 2.2098 2.2130 2.3830 2.4597 2.6840 2.7510 2.8949 2.9113 2.9173 2.9572 3.1745 3.2297 3.5023 3.5557 7.8432 8.2057 9.5116 9.9721 10.2369 10.7210 11.6348 11.6465 12.3316 12.4587 k = 0.2826 0.1981-0.0959 ( 4115 PWs) bands (ev): -16.0595 -16.0565 -15.0598 -15.0513 -14.5293 -14.5261 -14.1430 -14.1397 -13.7876 -13.7731 -13.6114 -13.5959 -5.9048 -5.8893 -4.5253 -4.5173 -3.1734 -3.1637 -2.4587 -2.4413 -1.9484 -1.9418 -1.3882 -1.1635 -0.9880 -0.8474 -0.3384 -0.2920 0.2439 0.2642 0.3514 0.4548 1.2350 1.2473 1.6733 1.7282 2.1878 2.1895 2.3803 2.4568 2.6998 2.7637 2.8956 2.9070 2.9150 2.9647 3.1912 3.2486 3.5315 3.5890 7.8388 8.1978 9.5127 9.9650 10.2583 10.7413 11.6679 11.6785 12.3427 12.4608 k = 0.2935 0.2058-0.0996 ( 4118 PWs) bands (ev): -16.0315 -16.0284 -15.0593 -15.0508 -14.5513 -14.5491 -14.1477 -14.1437 -13.7911 -13.7766 -13.6180 -13.6031 -5.9472 -5.9320 -4.4850 -4.4773 -3.1648 -3.1541 -2.4486 -2.4309 -1.9193 -1.9139 -1.3782 -1.1502 -0.9908 -0.8545 -0.3647 -0.3169 0.2484 0.2749 0.3152 0.4119 1.2337 1.2426 1.6505 1.7080 2.1618 2.1637 2.3795 2.4537 2.7127 2.7714 2.8939 2.9026 2.9236 2.9747 3.2085 3.2680 3.5603 3.6214 7.8353 8.1894 9.5152 9.9571 10.2817 10.7602 11.7001 11.7100 12.3530 12.4619 k = 0.3043 0.2134-0.1033 ( 4117 PWs) bands (ev): -16.0027 -15.9997 -15.0592 -15.0507 -14.5750 -14.5739 -14.1510 -14.1463 -13.7952 -13.7808 -13.6237 -13.6095 -5.9883 -5.9736 -4.4437 -4.4362 -3.1571 -3.1454 -2.4434 -2.4254 -1.8907 -1.8862 -1.3659 -1.1358 -0.9893 -0.8582 -0.3903 -0.3411 0.2363 0.2837 0.2990 0.3722 1.2305 1.2374 1.6256 1.6844 2.1332 2.1357 2.3794 2.4498 2.7231 2.7748 2.8921 2.8997 2.9390 2.9865 3.2268 3.2878 3.5883 3.6525 7.8329 8.1806 9.5191 9.9486 10.3065 10.7774 11.7314 11.7409 12.3624 12.4622 k = 0.3152 0.2210-0.1070 ( 4118 PWs) bands (ev): -15.9732 -15.9702 -15.0594 -15.0510 -14.6004 -14.6002 -14.1529 -14.1476 -13.8001 -13.7859 -13.6282 -13.6149 -6.0280 -6.0137 -4.4015 -4.3943 -3.1502 -3.1374 -2.4436 -2.4251 -1.8623 -1.8584 -1.3511 -1.1205 -0.9837 -0.8586 -0.4149 -0.3644 0.2043 0.2824 0.3072 0.3426 1.2252 1.2316 1.5991 1.6579 2.1029 2.1061 2.3789 2.4445 2.7316 2.7753 2.8916 2.8987 2.9579 2.9995 3.2460 3.3082 3.6155 3.6821 7.8316 8.1714 9.5242 9.9397 10.3324 10.7929 11.7618 11.7711 12.3706 12.4617 k = 0.3261 0.2286-0.1107 ( 4118 PWs) bands (ev): -15.9430 -15.9400 -15.0603 -15.0519 -14.6278 -14.6268 -14.1537 -14.1479 -13.8057 -13.7918 -13.6317 -13.6194 -6.0660 -6.0523 -4.3587 -4.3517 -3.1438 -3.1300 -2.4493 -2.4304 -1.8340 -1.8303 -1.3338 -1.1045 -0.9743 -0.8557 -0.4383 -0.3867 0.1665 0.2608 0.3219 0.3370 1.2179 1.2248 1.5713 1.6290 2.0715 2.0754 2.3772 2.4374 2.7388 2.7745 2.8924 2.8997 2.9783 3.0130 3.2665 3.3292 3.6416 3.7101 7.8314 8.1618 9.5305 9.9302 10.3592 10.8066 11.7913 11.8006 12.3775 12.4605 k = 0.3370 0.2362-0.1144 ( 4122 PWs) bands (ev): -15.9122 -15.9092 -15.0617 -15.0534 -14.6560 -14.6541 -14.1536 -14.1473 -13.8119 -13.7984 -13.6342 -13.6229 -6.1024 -6.0893 -4.3155 -4.3088 -3.1378 -3.1231 -2.4606 -2.4410 -1.8060 -1.8020 -1.3143 -1.0880 -0.9614 -0.8498 -0.4601 -0.4077 0.1278 0.2258 0.3389 0.3477 1.2090 1.2164 1.5427 1.5984 2.0395 2.0442 2.3738 2.4284 2.7455 2.7737 2.8947 2.9023 2.9987 3.0265 3.2882 3.3505 3.6665 3.7363 7.8322 8.1519 9.5379 9.9204 10.3866 10.8183 11.8198 11.8295 12.3832 12.4587 k = 0.3478 0.2439-0.1180 ( 4120 PWs) bands (ev): -15.8807 -15.8778 -15.0641 -15.0558 -14.6846 -14.6818 -14.1525 -14.1459 -13.8187 -13.8056 -13.6359 -13.6257 -6.1368 -6.1244 -4.2722 -4.2657 -3.1321 -3.1165 -2.4769 -2.4568 -1.7784 -1.7736 -1.2926 -1.0713 -0.9454 -0.8408 -0.4803 -0.4274 0.0893 0.1875 0.3574 0.3638 1.1984 1.2061 1.5139 1.5666 2.0075 2.0129 2.3686 2.4176 2.7519 2.7734 2.8984 2.9061 3.0182 3.0395 3.3111 3.3722 3.6902 3.7606 7.8341 8.1415 9.5463 9.9101 10.4144 10.8281 11.8473 11.8574 12.3874 12.4562 k = 0.3587 0.2515-0.1217 ( 4118 PWs) bands (ev): -15.8488 -15.8459 -15.0674 -15.0592 -14.7132 -14.7096 -14.1508 -14.1439 -13.8259 -13.8133 -13.6368 -13.6277 -6.1694 -6.1576 -4.2289 -4.2227 -3.1265 -3.1101 -2.4979 -2.4773 -1.7516 -1.7456 -1.2688 -1.0546 -0.9267 -0.8291 -0.4986 -0.4456 0.0516 0.1488 0.3771 0.3825 1.1862 1.1933 1.4854 1.5343 1.9759 1.9818 2.3617 2.4052 2.7583 2.7741 2.9033 2.9109 3.0361 3.0517 3.3352 3.3940 3.7124 3.7828 7.8371 8.1307 9.5557 9.8994 10.4424 10.8358 11.8739 11.8846 12.3902 12.4533 k = 0.3696 0.2591-0.1254 ( 4120 PWs) bands (ev): -15.8164 -15.8136 -15.0721 -15.0640 -14.7413 -14.7369 -14.1485 -14.1414 -13.8335 -13.8214 -13.6371 -13.6290 -6.1998 -6.1888 -4.1861 -4.1802 -3.1208 -3.1035 -2.5231 -2.5019 -1.7259 -1.7183 -1.2434 -1.0382 -0.9058 -0.8147 -0.5150 -0.4624 0.0146 0.1103 0.3978 0.4029 1.1721 1.1779 1.4579 1.5021 1.9450 1.9513 2.3531 2.3915 2.7647 2.7759 2.9092 2.9165 3.0522 3.0631 3.3601 3.4158 3.7333 3.8029 7.8412 8.1194 9.5658 9.8882 10.4704 10.8415 11.8994 11.9108 12.3915 12.4498 k = 0.3804 0.2667-0.1291 ( 4116 PWs) bands (ev): -15.7837 -15.7810 -15.0784 -15.0704 -14.7683 -14.7633 -14.1458 -14.1386 -13.8412 -13.8297 -13.6369 -13.6298 -6.2281 -6.2178 -4.1440 -4.1384 -3.1148 -3.0968 -2.5516 -2.5299 -1.7016 -1.6923 -1.2165 -1.0224 -0.8832 -0.7980 -0.5294 -0.4776 -0.0214 0.0724 0.4194 0.4248 1.1557 1.1597 1.4321 1.4710 1.9153 1.9218 2.3434 2.3771 2.7710 2.7787 2.9157 2.9227 3.0663 3.0733 3.3855 3.4372 3.7527 3.8208 7.8464 8.1078 9.5767 9.8766 10.4982 10.8451 11.9238 11.9359 12.3916 12.4457 k = 0.3913 0.2744-0.1328 ( 4112 PWs) bands (ev): -15.7507 -15.7482 -15.0866 -15.0789 -14.7936 -14.7882 -14.1427 -14.1355 -13.8490 -13.8381 -13.6363 -13.6301 -6.2541 -6.2447 -4.1030 -4.0976 -3.1083 -3.0895 -2.5829 -2.5608 -1.6789 -1.6679 -1.1885 -1.0074 -0.8591 -0.7792 -0.5417 -0.4914 -0.0564 0.0350 0.4418 0.4479 1.1363 1.1390 1.4086 1.4417 1.8869 1.8935 2.3328 2.3622 2.7770 2.7824 2.9227 2.9292 3.0784 3.0825 3.4108 3.4579 3.7706 3.8365 7.8526 8.0957 9.5882 9.8646 10.5258 10.8466 11.9472 11.9600 12.3905 12.4411 k = 0.4022 0.2820-0.1365 ( 4110 PWs) bands (ev): -15.7177 -15.7153 -15.0971 -15.0896 -14.8168 -14.8111 -14.1393 -14.1323 -13.8566 -13.8463 -13.6354 -13.6301 -6.2778 -6.2692 -4.0635 -4.0584 -3.1010 -3.0816 -2.6163 -2.5938 -1.6581 -1.6457 -1.1600 -0.9935 -0.8341 -0.7586 -0.5520 -0.5036 -0.0903 -0.0017 0.4651 0.4719 1.1128 1.1167 1.3878 1.4149 1.8602 1.8667 2.3218 2.3474 2.7825 2.7868 2.9300 2.9358 3.0887 3.0906 3.4357 3.4779 3.7871 3.8499 7.8597 8.0832 9.6003 9.8522 10.5529 10.8462 11.9693 11.9827 12.3885 12.4360 k = 0.4130 0.2896-0.1402 ( 4114 PWs) bands (ev): -15.6848 -15.6825 -15.1099 -15.1030 -14.8374 -14.8317 -14.1358 -14.1291 -13.8639 -13.8544 -13.6344 -13.6299 -6.2992 -6.2915 -4.0259 -4.0212 -3.0927 -3.0728 -2.6512 -2.6284 -1.6393 -1.6258 -1.1314 -0.9810 -0.8086 -0.7367 -0.5602 -0.5144 -0.1228 -0.0377 0.4891 0.4968 1.0859 1.0925 1.3700 1.3912 1.8355 1.8417 2.3109 2.3330 2.7875 2.7916 2.9372 2.9424 3.0972 3.0978 3.4597 3.4966 3.8022 3.8611 7.8679 8.0704 9.6129 9.8393 10.5795 10.8437 11.9901 12.0039 12.3858 12.4303 k = 0.4239 0.2972-0.1439 ( 4117 PWs) bands (ev): -15.6522 -15.6501 -15.1252 -15.1189 -14.8549 -14.8494 -14.1322 -14.1259 -13.8708 -13.8621 -13.6333 -13.6295 -6.3181 -6.3113 -3.9908 -3.9864 -3.0833 -3.0629 -2.6868 -2.6639 -1.6225 -1.6085 -1.1034 -0.9702 -0.7829 -0.7140 -0.5664 -0.5238 -0.1537 -0.0728 0.5138 0.5222 1.0567 1.0658 1.3550 1.3710 1.8130 1.8188 2.3004 2.3193 2.7921 2.7963 2.9441 2.9488 3.1036 3.1046 3.4822 3.5139 3.8158 3.8700 7.8770 8.0572 9.6260 9.8261 10.6054 10.8393 12.0094 12.0235 12.3828 12.4241 k = 0.4348 0.3048-0.1476 ( 4118 PWs) bands (ev): -15.6203 -15.6185 -15.1428 -15.1372 -14.8693 -14.8643 -14.1287 -14.1229 -13.8770 -13.8692 -13.6322 -13.6290 -6.3346 -6.3287 -3.9586 -3.9547 -3.0724 -3.0517 -2.7224 -2.6996 -1.6078 -1.5940 -1.0765 -0.9614 -0.7574 -0.6915 -0.5705 -0.5317 -0.1825 -0.1069 0.5388 0.5478 1.0263 1.0373 1.3427 1.3544 1.7929 1.7982 2.2907 2.3066 2.7965 2.8006 2.9507 2.9547 3.1088 3.1103 3.5029 3.5294 3.8282 3.8767 7.8869 8.0437 9.6396 9.8125 10.6305 10.8330 12.0272 12.0411 12.3798 12.4174 k = 0.4457 0.3125-0.1512 ( 4114 PWs) bands (ev): -15.5896 -15.5881 -15.1619 -15.1572 -14.8807 -14.8763 -14.1253 -14.1202 -13.8825 -13.8757 -13.6312 -13.6286 -6.3484 -6.3435 -3.9300 -3.9266 -3.0600 -3.0392 -2.7574 -2.7348 -1.5950 -1.5821 -1.0513 -0.9548 -0.7327 -0.6705 -0.5722 -0.5382 -0.2086 -0.1396 0.5640 0.5734 0.9957 1.0078 1.3329 1.3410 1.7756 1.7802 2.2822 2.2952 2.8005 2.8043 2.9566 2.9600 3.1130 3.1148 3.5214 3.5429 3.8393 3.8814 7.8976 8.0300 9.6534 9.7986 10.6547 10.8248 12.0433 12.0564 12.3771 12.4105 k = 0.4565 0.3201-0.1549 ( 4114 PWs) bands (ev): -15.5609 -15.5597 -15.1816 -15.1779 -14.8893 -14.8857 -14.1222 -14.1179 -13.8871 -13.8815 -13.6302 -13.6282 -6.3598 -6.3558 -3.9055 -3.9026 -3.0460 -3.0256 -2.7906 -2.7688 -1.5843 -1.5730 -1.0282 -0.9508 -0.7092 -0.6530 -0.5714 -0.5431 -0.2309 -0.1704 0.5886 0.5980 0.9662 0.9784 1.3252 1.3307 1.7611 1.7650 2.2751 2.2854 2.8040 2.8073 2.9618 2.9645 3.1165 3.1182 3.5373 3.5540 3.8492 3.8840 7.9091 8.0161 9.6676 9.7844 10.6778 10.8148 12.0574 12.0691 12.3752 12.4034 k = 0.4674 0.3277-0.1586 ( 4111 PWs) bands (ev): -15.5353 -15.5343 -15.2006 -15.1978 -14.8954 -14.8927 -14.1195 -14.1162 -13.8906 -13.8863 -13.6294 -13.6279 -6.3685 -6.3655 -3.8857 -3.8834 -3.0306 -3.0114 -2.8209 -2.8007 -1.5756 -1.5664 -1.0077 -0.9495 -0.6876 -0.6409 -0.5677 -0.5466 -0.2483 -0.1988 0.6118 0.6205 0.9395 0.9506 1.3196 1.3231 1.7498 1.7528 2.2697 2.2773 2.8069 2.8096 2.9660 2.9681 3.1191 3.1206 3.5504 3.5626 3.8580 3.8848 7.9212 8.0021 9.6819 9.7700 10.6998 10.8031 12.0693 12.0790 12.3742 12.3965 k = 0.4783 0.3353-0.1623 ( 4121 PWs) bands (ev): -15.5144 -15.5137 -15.2168 -15.2149 -14.8994 -14.8976 -14.1174 -14.1150 -13.8930 -13.8900 -13.6287 -13.6277 -6.3746 -6.3726 -3.8710 -3.8694 -3.0146 -2.9984 -2.8458 -2.8289 -1.5688 -1.5624 -0.9901 -0.9513 -0.6688 -0.6355 -0.5621 -0.5488 -0.2592 -0.2236 0.6321 0.6390 0.9178 0.9266 1.3158 1.3178 1.7417 1.7438 2.2660 2.2711 2.8092 2.8111 2.9693 2.9707 3.1211 3.1222 3.5604 3.5684 3.8656 3.8838 7.9338 7.9881 9.6965 9.7554 10.7206 10.7897 12.0787 12.0856 12.3746 12.3900 k = 0.4891 0.3429-0.1660 ( 4116 PWs) bands (ev): -15.5003 -15.4999 -15.2279 -15.2270 -14.9016 -14.9007 -14.1158 -14.1146 -13.8941 -13.8926 -13.6281 -13.6277 -6.3781 -6.3771 -3.8618 -3.8610 -2.9999 -2.9899 -2.8616 -2.8513 -1.5640 -1.5607 -0.9755 -0.9561 -0.6536 -0.6364 -0.5566 -0.5505 -0.2622 -0.2435 0.6470 0.6510 0.9040 0.9090 1.3137 1.3146 1.7371 1.7381 2.2642 2.2668 2.8108 2.8118 2.9714 2.9721 3.1224 3.1230 3.5672 3.5712 3.8721 3.8813 7.9470 7.9742 9.7112 9.7407 10.7400 10.7746 12.0852 12.0888 12.3764 12.3843 k = 0.5000 0.3506-0.1697 ( 4114 PWs) bands (ev): -15.4951 -15.4951 -15.2316 -15.2316 -14.9020 -14.9020 -14.1148 -14.1148 -13.8940 -13.8940 -13.6278 -13.6278 -6.3789 -6.3789 -3.8585 -3.8585 -2.9903 -2.9903 -2.8636 -2.8636 -1.5613 -1.5613 -0.9642 -0.9642 -0.6426 -0.6426 -0.5527 -0.5527 -0.2568 -0.2568 0.6539 0.6539 0.9009 0.9009 1.3133 1.3133 1.7359 1.7359 2.2645 2.2645 2.8117 2.8117 2.9723 2.9723 3.1230 3.1230 3.5708 3.5708 3.8773 3.8773 7.9604 7.9604 9.7259 9.7259 10.7581 10.7581 12.0887 12.0887 12.3797 12.3797 k = 0.5000 0.3506-0.1697 ( 4114 PWs) bands (ev): -15.4951 -15.4951 -15.2316 -15.2316 -14.9020 -14.9020 -14.1148 -14.1148 -13.8940 -13.8940 -13.6278 -13.6278 -6.3789 -6.3789 -3.8585 -3.8585 -2.9903 -2.9903 -2.8636 -2.8636 -1.5613 -1.5613 -0.9642 -0.9642 -0.6426 -0.6426 -0.5527 -0.5527 -0.2568 -0.2568 0.6539 0.6539 0.9009 0.9009 1.3133 1.3133 1.7359 1.7359 2.2645 2.2645 2.8117 2.8117 2.9723 2.9723 3.1230 3.1230 3.5708 3.5708 3.8773 3.8773 7.9604 7.9604 9.7259 9.7259 10.7581 10.7581 12.0887 12.0887 12.3797 12.3797 k = 0.5029 0.3526-0.1570 ( 4114 PWs) bands (ev): -15.4953 -15.4953 -15.2315 -15.2313 -14.9022 -14.9018 -14.1156 -14.1146 -13.8942 -13.8932 -13.6281 -13.6277 -6.3782 -6.3775 -3.8612 -3.8599 -2.9925 -2.9894 -2.8652 -2.8619 -1.5601 -1.5590 -0.9677 -0.9621 -0.6482 -0.6378 -0.5591 -0.5440 -0.2596 -0.2518 0.6532 0.6541 0.8993 0.9005 1.3126 1.3133 1.7350 1.7390 2.2586 2.2678 2.8106 2.8135 2.9705 2.9763 3.1219 3.1232 3.5700 3.5706 3.8752 3.8793 7.9572 7.9641 9.7215 9.7305 10.7531 10.7620 12.0881 12.0893 12.3737 12.3854 k = 0.5058 0.3546-0.1444 ( 4117 PWs) bands (ev): -15.4959 -15.4959 -15.2309 -15.2305 -14.9025 -14.9018 -14.1170 -14.1149 -13.8936 -13.8916 -13.6285 -13.6279 -6.3754 -6.3740 -3.8679 -3.8653 -2.9961 -2.9900 -2.8664 -2.8599 -1.5555 -1.5534 -0.9726 -0.9615 -0.6540 -0.6344 -0.5624 -0.5338 -0.2600 -0.2446 0.6519 0.6537 0.8959 0.8983 1.3112 1.3126 1.7364 1.7443 2.2503 2.2683 2.8104 2.8161 2.9709 2.9824 3.1199 3.1225 3.5681 3.5693 3.8728 3.8810 7.9543 7.9680 9.7172 9.7352 10.7471 10.7649 12.0874 12.0899 12.3676 12.3908 k = 0.5086 0.3566-0.1317 ( 4115 PWs) bands (ev): -15.4968 -15.4968 -15.2298 -15.2293 -14.9029 -14.9018 -14.1188 -14.1158 -13.8924 -13.8895 -13.6292 -13.6282 -6.3705 -6.3685 -3.8785 -3.8748 -3.0010 -2.9922 -2.8671 -2.8577 -1.5477 -1.5447 -0.9789 -0.9624 -0.6593 -0.6324 -0.5621 -0.5227 -0.2581 -0.2355 0.6499 0.6526 0.8909 0.8943 1.3090 1.3112 1.7398 1.7518 2.2403 2.2660 2.8108 2.8195 2.9735 2.9902 3.1170 3.1209 3.5651 3.5669 3.8701 3.8825 7.9517 7.9722 9.7131 9.7400 10.7403 10.7668 12.0867 12.0904 12.3615 12.3956 k = 0.5115 0.3586-0.1190 ( 4119 PWs) bands (ev): -15.4981 -15.4981 -15.2283 -15.2277 -14.9034 -14.9020 -14.1210 -14.1173 -13.8905 -13.8868 -13.6300 -13.6287 -6.3636 -6.3609 -3.8930 -3.8883 -3.0071 -2.9958 -2.8670 -2.8551 -1.5373 -1.5335 -0.9866 -0.9651 -0.6636 -0.6314 -0.5585 -0.5110 -0.2539 -0.2244 0.6469 0.6508 0.8848 0.8890 1.3062 1.3091 1.7449 1.7612 2.2291 2.2612 2.8119 2.8237 2.9779 2.9995 3.1134 3.1184 3.5611 3.5634 3.8673 3.8839 7.9495 7.9767 9.7093 9.7448 10.7326 10.7676 12.0861 12.0910 12.3552 12.3997 k = 0.5144 0.3607-0.1063 ( 4120 PWs) bands (ev): -15.4998 -15.4998 -15.2264 -15.2256 -14.9039 -14.9021 -14.1236 -14.1191 -13.8880 -13.8837 -13.6310 -13.6293 -6.3547 -6.3514 -3.9111 -3.9056 -3.0142 -3.0008 -2.8659 -2.8520 -1.5248 -1.5204 -0.9958 -0.9698 -0.6663 -0.6303 -0.5523 -0.4991 -0.2473 -0.2117 0.6425 0.6478 0.8780 0.8827 1.3027 1.3063 1.7511 1.7720 2.2175 2.2544 2.8136 2.8286 2.9838 3.0099 3.1093 3.1152 3.5560 3.5588 3.8642 3.8850 7.9477 7.9815 9.7059 9.7496 10.7242 10.7674 12.0856 12.0917 12.3489 12.4028 k = 0.5173 0.3627-0.0937 ( 4120 PWs) bands (ev): -15.5019 -15.5018 -15.2240 -15.2231 -14.9044 -14.9023 -14.1264 -14.1213 -13.8851 -13.8802 -13.6321 -13.6302 -6.3439 -6.3399 -3.9325 -3.9265 -3.0221 -3.0070 -2.8637 -2.8482 -1.5109 -1.5061 -1.0064 -0.9764 -0.6670 -0.6280 -0.5441 -0.4872 -0.2385 -0.1974 0.6365 0.6435 0.8712 0.8761 1.2983 1.3027 1.7580 1.7837 2.2064 2.2462 2.8158 2.8341 2.9909 3.0209 3.1047 3.1114 3.5497 3.5530 3.8610 3.8860 7.9463 7.9864 9.7027 9.7544 10.7152 10.7661 12.0851 12.0926 12.3426 12.4048 k = 0.5202 0.3647-0.0810 ( 4122 PWs) bands (ev): -15.5045 -15.5044 -15.2212 -15.2201 -14.9048 -14.9025 -14.1293 -14.1238 -13.8819 -13.8766 -13.6335 -13.6312 -6.3313 -6.3267 -3.9571 -3.9508 -3.0306 -3.0141 -2.8603 -2.8436 -1.4964 -1.4912 -1.0184 -0.9852 -0.6652 -0.6238 -0.5344 -0.4754 -0.2276 -0.1817 0.6286 0.6374 0.8650 0.8697 1.2931 1.2983 1.7649 1.7958 2.1966 2.2375 2.8185 2.8401 2.9986 3.0321 3.0999 3.1072 3.5425 3.5462 3.8576 3.8869 7.9451 7.9915 9.6999 9.7591 10.7056 10.7640 12.0848 12.0936 12.3360 12.4054 k = 0.5231 0.3667-0.0683 ( 4120 PWs) bands (ev): -15.5076 -15.5073 -15.2180 -15.2168 -14.9052 -14.9025 -14.1323 -14.1265 -13.8784 -13.8728 -13.6349 -13.6323 -6.3169 -6.3117 -3.9846 -3.9781 -3.0393 -3.0220 -2.8556 -2.8382 -1.4818 -1.4766 -1.0318 -0.9960 -0.6608 -0.6172 -0.5235 -0.4638 -0.2148 -0.1647 0.6185 0.6292 0.8599 0.8642 1.2868 1.2930 1.7711 1.8077 2.1892 2.2291 2.8216 2.8464 3.0064 3.0431 3.0952 3.1029 3.5341 3.5383 3.8540 3.8876 7.9442 7.9968 9.6974 9.7638 10.6955 10.7609 12.0846 12.0948 12.3294 12.4045 k = 0.5259 0.3688-0.0557 ( 4129 PWs) bands (ev): -15.5111 -15.5108 -15.2143 -15.2130 -14.9054 -14.9025 -14.1353 -14.1293 -13.8747 -13.8690 -13.6365 -13.6336 -6.3009 -6.2952 -4.0145 -4.0082 -3.0481 -3.0303 -2.8498 -2.8320 -1.4680 -1.4628 -1.0464 -1.0088 -0.6537 -0.6081 -0.5116 -0.4524 -0.2001 -0.1465 0.6061 0.6188 0.8565 0.8601 1.2794 1.2868 1.7762 1.8184 2.1850 2.2223 2.8248 2.8529 3.0137 3.0535 3.0906 3.0990 3.5247 3.5293 3.8504 3.8883 7.9435 8.0023 9.6953 9.7684 10.6851 10.7571 12.0846 12.0963 12.3226 12.4019 k = 0.5288 0.3708-0.0430 ( 4135 PWs) bands (ev): -15.5152 -15.5147 -15.2103 -15.2089 -14.9054 -14.9022 -14.1381 -14.1321 -13.8710 -13.8653 -13.6383 -13.6350 -6.2834 -6.2773 -4.0465 -4.0405 -3.0567 -3.0387 -2.8429 -2.8250 -1.4554 -1.4504 -1.0622 -1.0233 -0.6443 -0.5965 -0.4986 -0.4414 -0.1838 -0.1274 0.5915 0.6060 0.8549 0.8579 1.2707 1.2794 1.7795 1.8273 2.1849 2.2182 2.8283 2.8595 3.0197 3.0625 3.0866 3.0959 3.5142 3.5192 3.8467 3.8889 7.9429 8.0079 9.6936 9.7729 10.6744 10.7527 12.0846 12.0980 12.3157 12.3976 k = 0.5317 0.3728-0.0303 ( 4133 PWs) bands (ev): -15.5198 -15.5191 -15.2059 -15.2044 -14.9051 -14.9018 -14.1408 -14.1348 -13.8674 -13.8617 -13.6401 -13.6364 -6.2646 -6.2581 -4.0801 -4.0746 -3.0650 -3.0471 -2.8351 -2.8172 -1.4446 -1.4397 -1.0788 -1.0392 -0.6330 -0.5824 -0.4844 -0.4308 -0.1662 -0.1074 0.5750 0.5911 0.8555 0.8578 1.2604 1.2706 1.7809 1.8337 2.1892 2.2177 2.8318 2.8658 3.0241 3.0685 3.0844 3.0942 3.5027 3.5080 3.8431 3.8896 7.9424 8.0135 9.6921 9.7773 10.6635 10.7477 12.0845 12.1000 12.3087 12.3916 k = 0.5346 0.3748-0.0177 ( 4134 PWs) bands (ev): -15.5250 -15.5241 -15.2011 -15.1995 -14.9046 -14.9011 -14.1432 -14.1374 -13.8639 -13.8584 -13.6420 -13.6380 -6.2447 -6.2378 -4.1149 -4.1101 -3.0729 -3.0553 -2.8263 -2.8087 -1.4360 -1.4311 -1.0961 -1.0562 -0.6203 -0.5663 -0.4690 -0.4208 -0.1473 -0.0867 0.5571 0.5743 0.8581 0.8601 1.2482 1.2603 1.7805 1.8372 2.1983 2.2218 2.8352 2.8718 3.0265 3.0689 3.0863 3.0941 3.4903 3.4959 3.8396 3.8903 7.9418 8.0194 9.6910 9.7817 10.6525 10.7422 12.0843 12.1023 12.3018 12.3838 k = 0.5375 0.3768-0.0050 ( 4134 PWs) bands (ev): -15.5307 -15.5296 -15.1960 -15.1942 -14.9037 -14.9001 -14.1454 -14.1398 -13.8606 -13.8554 -13.6440 -13.6397 -6.2238 -6.2166 -4.1504 -4.1465 -3.0804 -3.0632 -2.8168 -2.7996 -1.4298 -1.4246 -1.1139 -1.0740 -0.6071 -0.5485 -0.4523 -0.4113 -0.1277 -0.0655 0.5383 0.5561 0.8630 0.8647 1.2339 1.2482 1.7788 1.8379 2.2120 2.2307 2.8385 2.8773 3.0273 3.0655 3.0905 3.0952 3.4769 3.4828 3.8362 3.8911 7.9412 8.0253 9.6902 9.7860 10.6415 10.7364 12.0837 12.1047 12.2952 12.3744 k = 0.5404 0.3789 0.0077 ( 4142 PWs) bands (ev): -15.5370 -15.5357 -15.1906 -15.1887 -14.9025 -14.8987 -14.1472 -14.1419 -13.8577 -13.8528 -13.6461 -13.6414 -6.2022 -6.1948 -4.1862 -4.1832 -3.0873 -3.0706 -2.8065 -2.7898 -1.4262 -1.4203 -1.1320 -1.0922 -0.5940 -0.5294 -0.4342 -0.4024 -0.1076 -0.0442 0.5192 0.5370 0.8699 0.8717 1.2173 1.2340 1.7764 1.8361 2.2298 2.2445 2.8415 2.8821 3.0270 3.0610 3.0939 3.0966 3.4628 3.4689 3.8332 3.8919 7.9403 8.0313 9.6896 9.7903 10.6305 10.7304 12.0825 12.1072 12.2889 12.3634 k = 0.5404 0.3789 0.0077 ( 4142 PWs) bands (ev): -15.5370 -15.5357 -15.1906 -15.1887 -14.9025 -14.8987 -14.1472 -14.1419 -13.8577 -13.8528 -13.6461 -13.6414 -6.2022 -6.1948 -4.1862 -4.1832 -3.0873 -3.0706 -2.8065 -2.7898 -1.4262 -1.4203 -1.1320 -1.0922 -0.5940 -0.5294 -0.4342 -0.4024 -0.1076 -0.0442 0.5192 0.5370 0.8699 0.8717 1.2173 1.2340 1.7764 1.8361 2.2298 2.2445 2.8415 2.8821 3.0270 3.0610 3.0939 3.0966 3.4628 3.4689 3.8332 3.8919 7.9403 8.0313 9.6896 9.7903 10.6305 10.7304 12.0825 12.1072 12.2889 12.3634 k = 0.5373 0.3767 0.0207 ( 4141 PWs) bands (ev): -15.5358 -15.5343 -15.1857 -15.1831 -14.9066 -14.9022 -14.1466 -14.1415 -13.8581 -13.8536 -13.6508 -13.6461 -6.1844 -6.1772 -4.2145 -4.2119 -3.0989 -3.0832 -2.7887 -2.7725 -1.4175 -1.4111 -1.1451 -1.1098 -0.5796 -0.5177 -0.4265 -0.3844 -0.1014 -0.0408 0.5095 0.5272 0.8567 0.8589 1.2006 1.2183 1.7787 1.8372 2.2587 2.2698 2.8519 2.8907 3.0259 3.0572 3.0936 3.0963 3.4459 3.4525 3.8396 3.8963 7.9425 8.0272 9.6952 9.7887 10.6311 10.7207 12.0749 12.1023 12.2886 12.3561 k = 0.5342 0.3745 0.0338 ( 4131 PWs) bands (ev): -15.5354 -15.5339 -15.1801 -15.1767 -14.9104 -14.9055 -14.1460 -14.1412 -13.8584 -13.8543 -13.6556 -13.6510 -6.1661 -6.1592 -4.2433 -4.2409 -3.1088 -3.0943 -2.7713 -2.7559 -1.4092 -1.4023 -1.1582 -1.1272 -0.5669 -0.5061 -0.4186 -0.3680 -0.0941 -0.0369 0.4984 0.5159 0.8463 0.8488 1.1828 1.2012 1.7800 1.8359 2.2921 2.3007 2.8626 2.8991 3.0244 3.0531 3.0910 3.0944 3.4280 3.4350 3.8465 3.9007 7.9447 8.0229 9.7008 9.7872 10.6317 10.7114 12.0670 12.0965 12.2886 12.3490 k = 0.5310 0.3723 0.0468 ( 4127 PWs) bands (ev): -15.5356 -15.5341 -15.1738 -15.1699 -14.9140 -14.9087 -14.1453 -14.1408 -13.8588 -13.8550 -13.6604 -13.6559 -6.1478 -6.1412 -4.2720 -4.2698 -3.1172 -3.1039 -2.7547 -2.7401 -1.4014 -1.3942 -1.1712 -1.1443 -0.5554 -0.4954 -0.4103 -0.3536 -0.0857 -0.0325 0.4863 0.5034 0.8388 0.8417 1.1638 1.1829 1.7806 1.8329 2.3293 2.3362 2.8732 2.9068 3.0227 3.0487 3.0859 3.0908 3.4096 3.4169 3.8537 3.9048 7.9468 8.0184 9.7063 9.7855 10.6322 10.7027 12.0593 12.0898 12.2886 12.3422 k = 0.5279 0.3702 0.0599 ( 4131 PWs) bands (ev): -15.5363 -15.5348 -15.1672 -15.1630 -14.9173 -14.9117 -14.1446 -14.1404 -13.8591 -13.8557 -13.6651 -13.6608 -6.1296 -6.1235 -4.3000 -4.2981 -3.1243 -3.1122 -2.7389 -2.7254 -1.3940 -1.3865 -1.1839 -1.1608 -0.5449 -0.4860 -0.4016 -0.3415 -0.0764 -0.0278 0.4735 0.4901 0.8341 0.8375 1.1440 1.1633 1.7810 1.8288 2.3694 2.3754 2.8830 2.9135 3.0210 3.0440 3.0787 3.0853 3.3912 3.3985 3.8611 3.9086 7.9489 8.0138 9.7118 9.7837 10.6329 10.6946 12.0519 12.0825 12.2887 12.3357 k = 0.5248 0.3680 0.0730 ( 4130 PWs) bands (ev): -15.5373 -15.5358 -15.1606 -15.1560 -14.9203 -14.9146 -14.1439 -14.1401 -13.8594 -13.8564 -13.6696 -13.6656 -6.1120 -6.1063 -4.3269 -4.3252 -3.1301 -3.1193 -2.7241 -2.7118 -1.3871 -1.3794 -1.1960 -1.1766 -0.5352 -0.4783 -0.3925 -0.3317 -0.0664 -0.0228 0.4606 0.4763 0.8322 0.8361 1.1236 1.1428 1.7814 1.8243 2.4118 2.4171 2.8915 2.9184 3.0194 3.0387 3.0701 3.0782 3.3733 3.3804 3.8685 3.9121 7.9510 8.0091 9.7173 9.7817 10.6336 10.6871 12.0450 12.0748 12.2888 12.3295 k = 0.5217 0.3658 0.0860 ( 4131 PWs) bands (ev): -15.5384 -15.5371 -15.1540 -15.1494 -14.9229 -14.9173 -14.1433 -14.1398 -13.8596 -13.8570 -13.6738 -13.6701 -6.0952 -6.0901 -4.3522 -4.3507 -3.1348 -3.1253 -2.7106 -2.6995 -1.3805 -1.3728 -1.2075 -1.1915 -0.5262 -0.4726 -0.3830 -0.3241 -0.0559 -0.0178 0.4479 0.4626 0.8330 0.8373 1.1029 1.1217 1.7819 1.8196 2.4557 2.4607 2.8973 2.9206 3.0180 3.0326 3.0613 3.0702 3.3562 3.3629 3.8758 3.9149 7.9532 8.0044 9.7227 9.7795 10.6345 10.6802 12.0389 12.0670 12.2891 12.3239 k = 0.5186 0.3636 0.0991 ( 4132 PWs) bands (ev): -15.5396 -15.5384 -15.1478 -15.1433 -14.9251 -14.9198 -14.1426 -14.1396 -13.8598 -13.8576 -13.6776 -13.6743 -6.0797 -6.0751 -4.3754 -4.3740 -3.1385 -3.1303 -2.6984 -2.6887 -1.3744 -1.3668 -1.2180 -1.2052 -0.5177 -0.4687 -0.3734 -0.3188 -0.0455 -0.0130 0.4360 0.4494 0.8361 0.8409 1.0823 1.1004 1.7826 1.8150 2.5006 2.5053 2.8987 2.9188 3.0166 3.0261 3.0538 3.0620 3.3405 3.3465 3.8829 3.9172 7.9555 7.9996 9.7280 9.7770 10.6356 10.6739 12.0336 12.0593 12.2896 12.3186 k = 0.5155 0.3614 0.1121 ( 4130 PWs) bands (ev): -15.5408 -15.5398 -15.1420 -15.1379 -14.9269 -14.9220 -14.1420 -14.1395 -13.8600 -13.8581 -13.6809 -13.6781 -6.0657 -6.0618 -4.3959 -4.3948 -3.1413 -3.1345 -2.6877 -2.6795 -1.3686 -1.3615 -1.2275 -1.2176 -0.5096 -0.4667 -0.3639 -0.3156 -0.0354 -0.0086 0.4253 0.4370 0.8412 0.8465 1.0624 1.0792 1.7836 1.8106 2.5459 2.5504 2.8935 2.9111 3.0143 3.0216 3.0484 3.0547 3.3264 3.3317 3.8897 3.9188 7.9580 7.9950 9.7332 9.7743 10.6369 10.6681 12.0294 12.0519 12.2902 12.3139 k = 0.5124 0.3593 0.1252 ( 4126 PWs) bands (ev): -15.5418 -15.5410 -15.1370 -15.1334 -14.9283 -14.9241 -14.1415 -14.1394 -13.8601 -13.8586 -13.6837 -13.6813 -6.0536 -6.0504 -4.4134 -4.4124 -3.1434 -3.1379 -2.6785 -2.6719 -1.3634 -1.3570 -1.2358 -1.2284 -0.5021 -0.4663 -0.3547 -0.3142 -0.0261 -0.0049 0.4161 0.4260 0.8480 0.8535 1.0437 1.0589 1.7850 1.8066 2.5909 2.5954 2.8807 2.8962 3.0119 3.0203 3.0449 3.0492 3.3145 3.3188 3.8959 3.9196 7.9607 7.9904 9.7383 9.7714 10.6384 10.6630 12.0264 12.0451 12.2910 12.3097 k = 0.5093 0.3571 0.1382 ( 4126 PWs) bands (ev): -15.5427 -15.5420 -15.1328 -15.1299 -14.9292 -14.9259 -14.1410 -14.1394 -13.8601 -13.8590 -13.6858 -13.6840 -6.0437 -6.0413 -4.4274 -4.4266 -3.1448 -3.1407 -2.6711 -2.6661 -1.3587 -1.3534 -1.2425 -1.2374 -0.4950 -0.4674 -0.3460 -0.3147 -0.0179 -0.0022 0.4090 0.4167 0.8557 0.8610 1.0273 1.0402 1.7866 1.8028 2.6351 2.6396 2.8607 2.8739 3.0116 3.0200 3.0428 3.0457 3.3048 3.3081 3.9016 3.9196 7.9636 7.9859 9.7432 9.7681 10.6402 10.6584 12.0245 12.0390 12.2921 12.3059 k = 0.5062 0.3549 0.1513 ( 4122 PWs) bands (ev): -15.5433 -15.5428 -15.1295 -15.1275 -14.9297 -14.9274 -14.1405 -14.1395 -13.8601 -13.8593 -13.6873 -13.6861 -6.0364 -6.0347 -4.4376 -4.4371 -3.1455 -3.1428 -2.6655 -2.6622 -1.3548 -1.3510 -1.2475 -1.2442 -0.4885 -0.4697 -0.3381 -0.3167 -0.0111 -0.0008 0.4040 0.4093 0.8634 0.8679 1.0145 1.0241 1.7886 1.7994 2.6775 2.6821 2.8352 2.8457 3.0130 3.0194 3.0419 3.0438 3.2979 3.3001 3.9066 3.9187 7.9667 7.9816 9.7479 9.7646 10.6423 10.6543 12.0239 12.0337 12.2934 12.3025 k = 0.5031 0.3527 0.1643 ( 4122 PWs) bands (ev): -15.5436 -15.5434 -15.1273 -15.1262 -14.9297 -14.9285 -14.1402 -14.1396 -13.8600 -13.8596 -13.6881 -13.6875 -6.0317 -6.0308 -4.4437 -4.4435 -3.1457 -3.1443 -2.6618 -2.6601 -1.3519 -1.3498 -1.2503 -1.2488 -0.4826 -0.4731 -0.3311 -0.3202 -0.0059 -0.0008 0.4016 0.4042 0.8698 0.8724 1.0069 1.0121 1.7908 1.7962 2.7161 2.7207 2.8070 2.8146 3.0150 3.0184 3.0418 3.0428 3.2938 3.2949 3.9109 3.9170 7.9701 7.9776 9.7525 9.7608 10.6447 10.6507 12.0245 12.0295 12.2951 12.2997 k = 0.5000 0.3506 0.1774 ( 4122 PWs) bands (ev): -15.5437 -15.5437 -15.1262 -15.1262 -14.9293 -14.9293 -14.1399 -14.1399 -13.8598 -13.8598 -13.6882 -13.6882 -6.0298 -6.0298 -4.4457 -4.4457 -3.1453 -3.1453 -2.6600 -2.6600 -1.3502 -1.3502 -1.2508 -1.2508 -0.4775 -0.4775 -0.3250 -0.3250 -0.0025 -0.0025 0.4016 0.4016 0.8731 0.8731 1.0060 1.0060 1.7934 1.7934 2.7404 2.7404 2.7918 2.7918 3.0169 3.0169 3.0422 3.0422 3.2928 3.2928 3.9143 3.9143 7.9737 7.9737 9.7568 9.7568 10.6475 10.6475 12.0264 12.0264 12.2972 12.2972 k = 0.5000 0.3506 0.1774 ( 4122 PWs) bands (ev): -15.5437 -15.5437 -15.1262 -15.1262 -14.9293 -14.9293 -14.1399 -14.1399 -13.8598 -13.8598 -13.6882 -13.6882 -6.0298 -6.0298 -4.4457 -4.4457 -3.1453 -3.1453 -2.6600 -2.6600 -1.3502 -1.3502 -1.2508 -1.2508 -0.4775 -0.4775 -0.3250 -0.3250 -0.0025 -0.0025 0.4016 0.4016 0.8731 0.8731 1.0060 1.0060 1.7934 1.7934 2.7404 2.7404 2.7918 2.7918 3.0169 3.0169 3.0422 3.0422 3.2928 3.2928 3.9143 3.9143 7.9737 7.9737 9.7568 9.7568 10.6475 10.6475 12.0264 12.0264 12.2972 12.2972 k = 0.5078 0.3394 0.1774 ( 4128 PWs) bands (ev): -15.5446 -15.5442 -15.1263 -15.1262 -14.9288 -14.9285 -14.1401 -14.1400 -13.8596 -13.8594 -13.6881 -13.6880 -6.0296 -6.0296 -4.4473 -4.4449 -3.1459 -3.1440 -2.6600 -2.6598 -1.3516 -1.3513 -1.2561 -1.2473 -0.4799 -0.4772 -0.3261 -0.3257 -0.0047 0.0019 0.4014 0.4018 0.8721 0.8771 1.0080 1.0080 1.7945 1.7950 2.7388 2.7393 2.7921 2.7921 3.0073 3.0236 3.0358 3.0521 3.2923 3.2924 3.9132 3.9136 7.9621 7.9870 9.7531 9.7607 10.6463 10.6481 12.0245 12.0253 12.2959 12.2960 k = 0.5156 0.3282 0.1774 ( 4120 PWs) bands (ev): -15.5470 -15.5462 -15.1265 -15.1265 -14.9268 -14.9263 -14.1406 -14.1405 -13.8586 -13.8582 -13.6878 -13.6875 -6.0290 -6.0289 -4.4495 -4.4448 -3.1457 -3.1420 -2.6596 -2.6592 -1.3557 -1.3550 -1.2630 -1.2454 -0.4845 -0.4790 -0.3287 -0.3279 -0.0047 0.0084 0.4010 0.4020 0.8741 0.8841 1.0138 1.0139 1.7983 1.7994 2.7348 2.7358 2.7931 2.7931 2.9976 3.0184 3.0420 3.0626 3.2910 3.2910 3.9103 3.9110 7.9522 8.0019 9.7498 9.7650 10.6444 10.6481 12.0196 12.0213 12.2921 12.2922 k = 0.5235 0.3171 0.1774 ( 4114 PWs) bands (ev): -15.5509 -15.5496 -15.1270 -15.1270 -14.9235 -14.9228 -14.1415 -14.1414 -13.8570 -13.8564 -13.6872 -13.6868 -6.0279 -6.0278 -4.4524 -4.4453 -3.1449 -3.1394 -2.6590 -2.6584 -1.3623 -1.3614 -1.2715 -1.2454 -0.4910 -0.4830 -0.3329 -0.3317 -0.0025 0.0170 0.4007 0.4021 0.8790 0.8940 1.0232 1.0234 1.8049 1.8065 2.7283 2.7297 2.7947 2.7947 2.9885 3.0096 3.0523 3.0733 3.2888 3.2888 3.9054 3.9065 7.9439 8.0184 9.7467 9.7695 10.6419 10.6476 12.0118 12.0144 12.2858 12.2860 k = 0.5313 0.3059 0.1774 ( 4118 PWs) bands (ev): -15.5561 -15.5544 -15.1277 -15.1277 -14.9189 -14.9180 -14.1428 -14.1426 -13.8547 -13.8539 -13.6864 -13.6859 -6.0264 -6.0262 -4.4559 -4.4467 -3.1434 -3.1362 -2.6582 -2.6574 -1.3714 -1.3702 -1.2812 -1.2470 -0.4994 -0.4891 -0.3383 -0.3369 0.0019 0.0275 0.4004 0.4022 0.8868 0.9068 1.0361 1.0363 1.8141 1.8163 2.7194 2.7212 2.7969 2.7970 2.9800 3.0008 3.0631 3.0839 3.2856 3.2857 3.8988 3.9002 7.9371 8.0366 9.7440 9.7743 10.6387 10.6466 12.0011 12.0047 12.2772 12.2774 k = 0.5391 0.2948 0.1774 ( 4116 PWs) bands (ev): -15.5627 -15.5606 -15.1286 -15.1285 -14.9131 -14.9120 -14.1442 -14.1440 -13.8518 -13.8508 -13.6854 -13.6847 -6.0244 -6.0242 -4.4601 -4.4487 -3.1411 -3.1325 -2.6571 -2.6562 -1.3829 -1.3814 -1.2921 -1.2501 -0.5095 -0.4971 -0.3449 -0.3433 0.0083 0.0399 0.4002 0.4024 0.8972 0.9221 1.0520 1.0522 1.8260 1.8287 2.7083 2.7104 2.7997 2.7999 2.9721 2.9923 3.0740 3.0944 3.2816 3.2818 3.8904 3.8921 7.9319 8.0562 9.7417 9.7795 10.6347 10.6453 11.9877 11.9924 12.2664 12.2666 k = 0.5469 0.2836 0.1774 ( 4114 PWs) bands (ev): -15.5705 -15.5681 -15.1297 -15.1296 -14.9060 -14.9048 -14.1459 -14.1457 -13.8483 -13.8471 -13.6841 -13.6833 -6.0219 -6.0217 -4.4649 -4.4514 -3.1382 -3.1283 -2.6560 -2.6549 -1.3967 -1.3949 -1.3038 -1.2545 -0.5210 -0.5069 -0.3524 -0.3508 0.0166 0.0539 0.4000 0.4025 0.9102 0.9400 1.0705 1.0707 1.8405 1.8437 2.6952 2.6975 2.8032 2.8034 2.9648 2.9843 3.0847 3.1046 3.2767 3.2769 3.8803 3.8823 7.9280 8.0772 9.7398 9.7849 10.6300 10.6435 11.9718 11.9777 12.2536 12.2538 k = 0.5548 0.2725 0.1774 ( 4118 PWs) bands (ev): -15.5795 -15.5768 -15.1310 -15.1309 -14.8978 -14.8965 -14.1478 -14.1476 -13.8442 -13.8430 -13.6825 -13.6816 -6.0190 -6.0187 -4.4703 -4.4549 -3.1347 -3.1237 -2.6549 -2.6537 -1.4126 -1.4106 -1.3162 -1.2601 -0.5338 -0.5181 -0.3605 -0.3591 0.0267 0.0693 0.4000 0.4027 0.9255 0.9601 1.0913 1.0915 1.8574 1.8611 2.6801 2.6827 2.8073 2.8076 2.9582 2.9768 3.0951 3.1145 3.2710 3.2712 3.8685 3.8709 7.9255 8.0996 9.7384 9.7907 10.6246 10.6415 11.9535 11.9608 12.2389 12.2391 k = 0.5626 0.2613 0.1774 ( 4120 PWs) bands (ev): -15.5896 -15.5866 -15.1326 -15.1325 -14.8886 -14.8871 -14.1498 -14.1495 -13.8397 -13.8383 -13.6808 -13.6797 -6.0155 -6.0153 -4.4762 -4.4591 -3.1306 -3.1189 -2.6539 -2.6525 -1.4305 -1.4283 -1.3289 -1.2666 -0.5475 -0.5306 -0.3690 -0.3680 0.0385 0.0860 0.3999 0.4030 0.9429 0.9822 1.1139 1.1141 1.8767 1.8808 2.6635 2.6663 2.8120 2.8123 2.9521 2.9697 3.1052 3.1239 3.2644 3.2646 3.8553 3.8579 7.9241 8.1231 9.7374 9.7968 10.6184 10.6394 11.9331 11.9418 12.2226 12.2228 k = 0.5704 0.2502 0.1774 ( 4120 PWs) bands (ev): -15.6007 -15.5975 -15.1344 -15.1342 -14.8783 -14.8768 -14.1518 -14.1515 -13.8347 -13.8332 -13.6788 -13.6777 -6.0115 -6.0112 -4.4827 -4.4640 -3.1261 -3.1138 -2.6531 -2.6515 -1.4502 -1.4479 -1.3416 -1.2737 -0.5619 -0.5439 -0.3778 -0.3772 0.0516 0.1036 0.4000 0.4032 0.9621 1.0061 1.1379 1.1381 1.8981 1.9027 2.6454 2.6484 2.8173 2.8176 2.9465 2.9631 3.1148 3.1329 3.2570 3.2572 3.8406 3.8434 7.9238 8.1475 9.7370 9.8032 10.6115 10.6371 11.9110 11.9211 12.2049 12.2050 k = 0.5782 0.2390 0.1774 ( 4116 PWs) bands (ev): -15.6128 -15.6093 -15.1365 -15.1363 -14.8671 -14.8657 -14.1538 -14.1535 -13.8294 -13.8277 -13.6766 -13.6754 -6.0070 -6.0067 -4.4897 -4.4695 -3.1210 -3.1086 -2.6526 -2.6509 -1.4716 -1.4692 -1.3543 -1.2813 -0.5767 -0.5578 -0.3865 -0.3865 0.0659 0.1221 0.3999 0.4033 0.9830 1.0315 1.1631 1.1633 1.9215 1.9265 2.6261 2.6293 2.8231 2.8235 2.9413 2.9568 3.1239 3.1414 3.2487 3.2489 3.8245 3.8276 7.9243 8.1729 9.7371 9.8099 10.6040 10.6349 11.8873 11.8989 12.1860 12.1861 k = 0.5860 0.2278 0.1774 ( 4118 PWs) bands (ev): -15.6257 -15.6220 -15.1388 -15.1386 -14.8551 -14.8537 -14.1557 -14.1554 -13.8237 -13.8219 -13.6742 -13.6729 -6.0019 -6.0015 -4.4973 -4.4758 -3.1156 -3.1034 -2.6524 -2.6507 -1.4945 -1.4920 -1.3665 -1.2890 -0.5915 -0.5719 -0.3958 -0.3951 0.0811 0.1412 0.3999 0.4034 1.0052 1.0582 1.1892 1.1893 1.9467 1.9520 2.6058 2.6093 2.8295 2.8300 2.9364 2.9509 3.1326 3.1493 3.2397 3.2399 3.8072 3.8105 7.9257 8.1988 9.7378 9.8169 10.5957 10.6328 11.8624 11.8756 12.1661 12.1661 k = 0.5939 0.2167 0.1774 ( 4120 PWs) bands (ev): -15.6393 -15.6355 -15.1414 -15.1413 -14.8423 -14.8409 -14.1574 -14.1572 -13.8177 -13.8158 -13.6717 -13.6703 -5.9962 -5.9958 -4.5053 -4.4827 -3.1100 -3.0982 -2.6529 -2.6510 -1.5188 -1.5162 -1.3781 -1.2967 -0.6061 -0.5859 -0.4049 -0.4034 0.0971 0.1606 0.3997 0.4033 1.0285 1.0859 1.2160 1.2160 1.9733 1.9789 2.5848 2.5886 2.8365 2.8370 2.9318 2.9452 3.1406 3.1567 3.2299 3.2301 3.7889 3.7923 7.9276 8.2252 9.7390 9.8241 10.5868 10.6309 11.8367 11.8512 12.1454 12.1454 k = 0.6017 0.2055 0.1774 ( 4120 PWs) bands (ev): -15.6537 -15.6498 -15.1444 -15.1442 -14.8287 -14.8275 -14.1590 -14.1588 -13.8115 -13.8095 -13.6689 -13.6675 -5.9898 -5.9894 -4.5137 -4.4902 -3.1041 -3.0931 -2.6539 -2.6521 -1.5443 -1.5417 -1.3889 -1.3041 -0.6201 -0.5994 -0.4135 -0.4111 0.1137 0.1803 0.3994 0.4030 1.0525 1.1143 1.2431 1.2431 2.0010 2.0070 2.5633 2.5674 2.8439 2.8446 2.9274 2.9397 3.1480 3.1634 3.2194 3.2196 3.7695 3.7732 7.9300 8.2518 9.7409 9.8315 10.5773 10.6295 11.8105 11.8263 12.1242 12.1243 k = 0.6095 0.1944 0.1774 ( 4122 PWs) bands (ev): -15.6687 -15.6647 -15.1477 -15.1474 -14.8145 -14.8134 -14.1603 -14.1601 -13.8050 -13.8029 -13.6660 -13.6646 -5.9829 -5.9824 -4.5226 -4.4984 -3.0980 -3.0883 -2.6558 -2.6538 -1.5708 -1.5682 -1.3987 -1.3110 -0.6334 -0.6123 -0.4216 -0.4182 0.1305 0.2000 0.3989 0.4026 1.0771 1.1431 1.2704 1.2706 2.0296 2.0358 2.5415 2.5460 2.8519 2.8526 2.9232 2.9344 3.1547 3.1694 3.2084 3.2086 3.7494 3.7531 7.9327 8.2784 9.7433 9.8389 10.5673 10.6285 11.7841 11.8009 12.1026 12.1027 k = 0.6173 0.1832 0.1774 ( 4114 PWs) bands (ev): -15.6843 -15.6802 -15.1512 -15.1510 -14.7997 -14.7988 -14.1614 -14.1611 -13.7984 -13.7962 -13.6629 -13.6615 -5.9752 -5.9747 -4.5319 -4.5071 -3.0919 -3.0838 -2.6584 -2.6565 -1.5982 -1.5956 -1.4073 -1.3172 -0.6458 -0.6242 -0.4290 -0.4246 0.1475 0.2196 0.3982 0.4019 1.1019 1.1721 1.2979 1.2982 2.0586 2.0651 2.5197 2.5245 2.8603 2.8612 2.9192 2.9293 3.1604 3.1742 3.1971 3.1975 3.7285 3.7324 7.9355 8.3047 9.7462 9.8464 10.5569 10.6282 11.7579 11.7754 12.0810 12.0810 k = 0.6251 0.1721 0.1774 ( 4112 PWs) bands (ev): -15.7004 -15.6963 -15.1552 -15.1549 -14.7843 -14.7836 -14.1621 -14.1619 -13.7917 -13.7894 -13.6598 -13.6583 -5.9669 -5.9663 -4.5416 -4.5164 -3.0858 -3.0796 -2.6620 -2.6601 -1.6264 -1.6239 -1.4147 -1.3227 -0.6569 -0.6350 -0.4355 -0.4301 0.1644 0.2390 0.3974 0.4011 1.1266 1.2010 1.3254 1.3259 2.0876 2.0943 2.4981 2.5032 2.8692 2.8702 2.9154 2.9243 3.1642 3.1749 3.1866 3.1893 3.7071 3.7111 7.9383 8.3305 9.7495 9.8537 10.5463 10.6287 11.7320 11.7501 12.0593 12.0594 k = 0.6330 0.1609 0.1774 ( 4104 PWs) bands (ev): -15.7170 -15.7128 -15.1595 -15.1592 -14.7684 -14.7679 -14.1624 -14.1622 -13.7849 -13.7825 -13.6564 -13.6550 -5.9578 -5.9573 -4.5517 -4.5262 -3.0798 -3.0759 -2.6666 -2.6647 -1.6551 -1.6527 -1.4207 -1.3273 -0.6669 -0.6445 -0.4411 -0.4346 0.1810 0.2579 0.3966 0.4003 1.1511 1.2296 1.3528 1.3535 2.1163 2.1232 2.4768 2.4822 2.8784 2.8797 2.9117 2.9196 3.1620 3.1664 3.1808 3.1892 3.6853 3.6893 7.9410 8.3556 9.7530 9.8607 10.5358 10.6301 11.7070 11.7251 12.0379 12.0380 k = 0.6408 0.1497 0.1774 ( 4090 PWs) bands (ev): -15.7339 -15.7297 -15.1641 -15.1638 -14.7521 -14.7517 -14.1623 -14.1622 -13.7779 -13.7756 -13.6530 -13.6516 -5.9480 -5.9474 -4.5621 -4.5365 -3.0739 -3.0726 -2.6723 -2.6704 -1.6843 -1.6820 -1.4253 -1.3309 -0.6754 -0.6526 -0.4456 -0.4380 0.1972 0.2762 0.3956 0.3993 1.1749 1.2576 1.3800 1.3810 2.1442 2.1514 2.4563 2.4619 2.8880 2.8894 2.9083 2.9151 3.1520 3.1538 3.1820 3.1922 3.6633 3.6674 7.9433 8.3797 9.7565 9.8673 10.5254 10.6324 11.6829 11.7007 12.0170 12.0170 k = 0.6486 0.1386 0.1774 ( 4094 PWs) bands (ev): -15.7512 -15.7470 -15.1691 -15.1688 -14.7353 -14.7352 -14.1618 -14.1617 -13.7710 -13.7686 -13.6496 -13.6482 -5.9375 -5.9369 -4.5728 -4.5473 -3.0698 -3.0683 -2.6790 -2.6771 -1.7140 -1.7118 -1.4285 -1.3334 -0.6825 -0.6594 -0.4489 -0.4403 0.2128 0.2939 0.3947 0.3985 1.1980 1.2848 1.4069 1.4082 2.1710 2.1783 2.4366 2.4423 2.8973 2.8984 2.9061 2.9113 3.1392 3.1401 3.1850 3.1953 3.6411 3.6453 7.9452 8.4025 9.7598 9.8733 10.5155 10.6359 11.6600 11.6772 11.9966 11.9966 k = 0.6564 0.1274 0.1774 ( 4096 PWs) bands (ev): -15.7688 -15.7646 -15.1745 -15.1742 -14.7183 -14.7181 -14.1608 -14.1607 -13.7640 -13.7616 -13.6460 -13.6447 -5.9263 -5.9257 -4.5838 -4.5585 -3.0675 -3.0628 -2.6868 -2.6850 -1.7439 -1.7418 -1.4302 -1.3348 -0.6882 -0.6647 -0.4510 -0.4412 0.2277 0.3107 0.3940 0.3978 1.2201 1.3109 1.4334 1.4351 2.1961 2.2037 2.4179 2.4238 2.8998 2.9024 2.9121 2.9122 3.1256 3.1260 3.1881 3.1981 3.6190 3.6232 7.9465 8.4239 9.7628 9.8786 10.5064 10.6406 11.6386 11.6546 11.9769 11.9769 k = 0.3436-0.4900 0.3471 ( 4096 PWs) bands (ev): -15.7688 -15.7646 -15.1745 -15.1742 -14.7183 -14.7181 -14.1608 -14.1607 -13.7640 -13.7616 -13.6460 -13.6447 -5.9263 -5.9257 -4.5838 -4.5585 -3.0675 -3.0628 -2.6868 -2.6850 -1.7439 -1.7418 -1.4302 -1.3348 -0.6882 -0.6647 -0.4510 -0.4412 0.2277 0.3107 0.3940 0.3978 1.2201 1.3109 1.4334 1.4351 2.1961 2.2037 2.4179 2.4238 2.8998 2.9024 2.9121 2.9122 3.1256 3.1260 3.1881 3.1981 3.6190 3.6232 7.9465 8.4239 9.7628 9.8786 10.5064 10.6406 11.6386 11.6546 11.9769 11.9769 k = 0.3358-0.4789 0.3471 ( 4098 PWs) bands (ev): -15.7866 -15.7824 -15.1803 -15.1799 -14.7010 -14.7005 -14.1594 -14.1593 -13.7571 -13.7546 -13.6424 -13.6411 -5.9143 -5.9137 -4.5951 -4.5701 -3.0658 -3.0577 -2.6957 -2.6939 -1.7739 -1.7720 -1.4304 -1.3352 -0.6924 -0.6687 -0.4517 -0.4408 0.2416 0.3266 0.3937 0.3974 1.2408 1.3358 1.4594 1.4615 2.2192 2.2270 2.4007 2.4065 2.8972 2.9000 2.9209 2.9225 3.1119 3.1119 3.1908 3.2005 3.5971 3.6013 7.9471 8.4434 9.7649 9.8830 10.4985 10.6464 11.6188 11.6333 11.9581 11.9582 k = 0.3279-0.4677 0.3471 ( 4098 PWs) bands (ev): -15.8046 -15.8005 -15.1864 -15.1860 -14.6834 -14.6826 -14.1575 -14.1574 -13.7502 -13.7477 -13.6388 -13.6376 -5.9016 -5.9009 -4.6066 -4.5820 -3.0645 -3.0529 -2.7056 -2.7039 -1.8040 -1.8023 -1.4292 -1.3344 -0.6954 -0.6714 -0.4511 -0.4390 0.2545 0.3413 0.3939 0.3976 1.2602 1.3593 1.4848 1.4874 2.2399 2.2479 2.3851 2.3907 2.8943 2.8963 2.9310 2.9333 3.0980 3.0984 3.1931 3.2024 3.5755 3.5797 7.9470 8.4611 9.7661 9.8864 10.4919 10.6534 11.6007 11.6134 11.9403 11.9405 k = 0.3201-0.4566 0.3471 ( 4094 PWs) bands (ev): -15.8227 -15.8187 -15.1928 -15.1924 -14.6656 -14.6645 -14.1550 -14.1550 -13.7433 -13.7408 -13.6352 -13.6341 -5.8881 -5.8874 -4.6183 -4.5943 -3.0638 -3.0484 -2.7165 -2.7149 -1.8341 -1.8325 -1.4267 -1.3326 -0.6971 -0.6729 -0.4491 -0.4357 0.2663 0.3547 0.3950 0.3984 1.2781 1.3812 1.5095 1.5125 2.2576 2.2659 2.3715 2.3767 2.8915 2.8925 2.9409 2.9439 3.0848 3.0858 3.1949 3.2037 3.5544 3.5586 7.9459 8.4766 9.7660 9.8888 10.4871 10.6614 11.5845 11.5950 11.9237 11.9240 k = 0.3123-0.4455 0.3471 ( 4104 PWs) bands (ev): -15.8410 -15.8370 -15.1996 -15.1992 -14.6474 -14.6460 -14.1521 -14.1520 -13.7366 -13.7340 -13.6315 -13.6306 -5.8739 -5.8732 -4.6302 -4.6068 -3.0635 -3.0442 -2.7283 -2.7268 -1.8642 -1.8628 -1.4229 -1.3298 -0.6978 -0.6735 -0.4456 -0.4309 0.2768 0.3663 0.3974 0.4000 1.2942 1.4014 1.5332 1.5368 2.2718 2.2805 2.3603 2.3649 2.8889 2.8889 2.9498 2.9537 3.0729 3.0747 3.1962 3.2046 3.5337 3.5381 7.9440 8.4897 9.7644 9.8900 10.4842 10.6703 11.5702 11.5782 11.9083 11.9087 k = 0.3045-0.4343 0.3471 ( 4100 PWs) bands (ev): -15.8594 -15.8555 -15.2068 -15.2063 -14.6291 -14.6273 -14.1487 -14.1486 -13.7299 -13.7273 -13.6279 -13.6271 -5.8589 -5.8582 -4.6423 -4.6196 -3.0636 -3.0404 -2.7409 -2.7395 -1.8941 -1.8928 -1.4180 -1.3260 -0.6975 -0.6731 -0.4406 -0.4245 0.2861 0.3758 0.4016 0.4025 1.3087 1.4198 1.5559 1.5601 2.2820 2.2910 2.3520 2.3560 2.8854 2.8864 2.9567 2.9616 3.0635 3.0662 3.1969 3.2049 3.5138 3.5182 7.9410 8.5003 9.7612 9.8901 10.4833 10.6798 11.5580 11.5633 11.8944 11.8949 k = 0.2967-0.4232 0.3471 ( 4102 PWs) bands (ev): -15.8778 -15.8739 -15.2142 -15.2137 -14.6105 -14.6085 -14.1448 -14.1447 -13.7233 -13.7207 -13.6244 -13.6237 -5.8432 -5.8424 -4.6545 -4.6325 -3.0642 -3.0370 -2.7543 -2.7530 -1.9238 -1.9227 -1.4119 -1.3214 -0.6965 -0.6720 -0.4341 -0.4166 0.2941 0.3832 0.4062 0.4078 1.3213 1.4365 1.5772 1.5822 2.2877 2.2967 2.3471 2.3505 2.8822 2.8842 2.9604 2.9662 3.0580 3.0616 3.1971 3.2048 3.4947 3.4992 7.9369 8.5083 9.7563 9.8891 10.4844 10.6898 11.5478 11.5504 11.8818 11.8825 k = 0.2889-0.4121 0.3471 ( 4094 PWs) bands (ev): -15.8962 -15.8924 -15.2220 -15.2215 -14.5918 -14.5894 -14.1403 -14.1403 -13.7168 -13.7143 -13.6209 -13.6203 -5.8267 -5.8260 -4.6668 -4.6457 -3.0650 -3.0338 -2.7683 -2.7672 -1.9533 -1.9523 -1.4050 -1.3160 -0.6948 -0.6705 -0.4262 -0.4072 0.3008 0.3891 0.4110 0.4152 1.3321 1.4513 1.5970 1.6029 2.2892 2.2978 2.3452 2.3483 2.8793 2.8822 2.9596 2.9660 3.0578 3.0620 3.1969 3.2042 3.4765 3.4810 7.9318 8.5134 9.7497 9.8869 10.4875 10.6997 11.5395 11.5396 11.8709 11.8717 k = 0.2811-0.4009 0.3471 ( 4096 PWs) bands (ev): -15.9146 -15.9109 -15.2300 -15.2295 -14.5729 -14.5701 -14.1354 -14.1354 -13.7105 -13.7079 -13.6175 -13.6171 -5.8096 -5.8088 -4.6792 -4.6589 -3.0661 -3.0310 -2.7829 -2.7819 -1.9825 -1.9816 -1.3971 -1.3099 -0.6928 -0.6686 -0.4168 -0.3962 0.3064 0.3947 0.4169 0.4229 1.3411 1.4644 1.6151 1.6219 2.2879 2.2958 2.3451 2.3481 2.8765 2.8804 2.9546 2.9611 3.0630 3.0672 3.1961 3.2032 3.4593 3.4639 7.9255 8.5156 9.7417 9.8837 10.4923 10.7093 11.5307 11.5335 11.8616 11.8625 k = 0.2733-0.3898 0.3471 ( 4102 PWs) bands (ev): -15.9329 -15.9293 -15.2383 -15.2378 -14.5538 -14.5508 -14.1301 -14.1301 -13.7043 -13.7018 -13.6142 -13.6140 -5.7918 -5.7910 -4.6916 -4.6722 -3.0675 -3.0285 -2.7979 -2.7971 -2.0113 -2.0105 -1.3886 -1.3031 -0.6904 -0.6665 -0.4061 -0.3838 0.3109 0.4004 0.4241 0.4306 1.3483 1.4758 1.6310 1.6389 2.2855 2.2925 2.3453 2.3482 2.8740 2.8788 2.9464 2.9526 3.0721 3.0761 3.1948 3.2017 3.4431 3.4479 7.9181 8.5147 9.7324 9.8796 10.4985 10.7181 11.5240 11.5294 11.8539 11.8550 k = 0.2655-0.3787 0.3471 ( 4102 PWs) bands (ev): -15.9511 -15.9476 -15.2469 -15.2463 -14.5347 -14.5313 -14.1243 -14.1243 -13.6983 -13.6958 -13.6110 -13.6109 -5.7733 -5.7725 -4.7040 -4.6856 -3.0690 -3.0263 -2.8133 -2.8127 -2.0397 -2.0390 -1.3794 -1.2959 -0.6880 -0.6643 -0.3940 -0.3699 0.3145 0.4065 0.4324 0.4381 1.3539 1.4855 1.6444 1.6537 2.2829 2.2890 2.3451 2.3478 2.8718 2.8775 2.9361 2.9419 3.0837 3.0874 3.1931 3.1999 3.4281 3.4330 7.9095 8.5107 9.7221 9.8745 10.5056 10.7258 11.5195 11.5271 11.8480 11.8492 k = 0.2577-0.3675 0.3471 ( 4104 PWs) bands (ev): -15.9692 -15.9657 -15.2556 -15.2551 -14.5155 -14.5118 -14.1181 -14.1181 -13.6924 -13.6899 -13.6081 -13.6079 -5.7542 -5.7535 -4.7164 -4.6990 -3.0707 -3.0244 -2.8290 -2.8285 -2.0676 -2.0671 -1.3697 -1.2882 -0.6856 -0.6623 -0.3808 -0.3548 0.3173 0.4128 0.4420 0.4458 1.3579 1.4937 1.6551 1.6659 2.2806 2.2859 2.3442 2.3466 2.8698 2.8764 2.9248 2.9301 3.0966 3.1001 3.1910 3.1977 3.4143 3.4194 7.8999 8.5036 9.7112 9.8687 10.5133 10.7321 11.5171 11.5266 11.8438 11.8452 k = 0.2499-0.3564 0.3471 ( 4108 PWs) bands (ev): -15.9871 -15.9837 -15.2645 -15.2640 -14.4962 -14.4922 -14.1115 -14.1115 -13.6867 -13.6843 -13.6054 -13.6050 -5.7346 -5.7338 -4.7287 -4.7123 -3.0724 -3.0226 -2.8448 -2.8445 -2.0951 -2.0946 -1.3595 -1.2801 -0.6833 -0.6604 -0.3665 -0.3385 0.3194 0.4188 0.4527 0.4539 1.3604 1.5006 1.6626 1.6752 2.2789 2.2834 2.3428 2.3448 2.8679 2.8755 2.9130 2.9177 3.1100 3.1134 3.1884 3.1953 3.4018 3.4071 7.8892 8.4933 9.6998 9.8623 10.5211 10.7366 11.5165 11.5276 11.8413 11.8429 k = 0.2421-0.3452 0.3471 ( 4104 PWs) bands (ev): -16.0048 -16.0015 -15.2736 -15.2730 -14.4770 -14.4726 -14.1046 -14.1046 -13.6812 -13.6788 -13.6028 -13.6022 -5.7144 -5.7137 -4.7410 -4.7255 -3.0741 -3.0211 -2.8608 -2.8606 -2.1221 -2.1216 -1.3490 -1.2717 -0.6811 -0.6587 -0.3512 -0.3211 0.3208 0.4241 0.4634 0.4647 1.3615 1.5061 1.6666 1.6813 2.2779 2.2816 2.3413 2.3427 2.8659 2.8748 2.9010 2.9049 3.1235 3.1269 3.1856 3.1927 3.3906 3.3961 7.8774 8.4800 9.6884 9.8552 10.5287 10.7393 11.5176 11.5299 11.8405 11.8423 k = 0.2342-0.3341 0.3471 ( 4100 PWs) bands (ev): -16.0222 -16.0191 -15.2828 -15.2822 -14.4577 -14.4530 -14.0973 -14.0973 -13.6759 -13.6736 -13.6005 -13.5997 -5.6938 -5.6930 -4.7531 -4.7386 -3.0757 -3.0198 -2.8767 -2.8767 -2.1485 -2.1481 -1.3382 -1.2630 -0.6792 -0.6572 -0.3353 -0.3030 0.3218 0.4281 0.4744 0.4779 1.3613 1.5104 1.6668 1.6839 2.2774 2.2804 2.3401 2.3409 2.8634 2.8740 2.8897 2.8921 3.1365 3.1401 3.1826 3.1901 3.3809 3.3865 7.8647 8.4637 9.6771 9.8477 10.5356 10.7400 11.5200 11.5332 11.8415 11.8434 k = 0.2264-0.3230 0.3471 ( 4098 PWs) bands (ev): -16.0394 -16.0364 -15.2921 -15.2915 -14.4384 -14.4335 -14.0898 -14.0897 -13.6708 -13.6685 -13.5983 -13.5973 -5.6727 -5.6719 -4.7651 -4.7516 -3.0773 -3.0186 -2.8927 -2.8925 -2.1743 -2.1739 -1.3272 -1.2541 -0.6775 -0.6559 -0.3188 -0.2841 0.3225 0.4308 0.4873 0.4923 1.3598 1.5136 1.6631 1.6829 2.2774 2.2798 2.3396 2.3396 2.8591 2.8722 2.8803 2.8804 3.1484 3.1526 3.1797 3.1878 3.3725 3.3783 7.8510 8.4446 9.6662 9.8397 10.5418 10.7386 11.5233 11.5372 11.8440 11.8462 k = 0.2186-0.3118 0.3471 ( 4098 PWs) bands (ev): -16.0563 -16.0534 -15.3014 -15.3008 -14.4193 -14.4140 -14.0819 -14.0819 -13.6659 -13.6637 -13.5963 -13.5951 -5.6513 -5.6505 -4.7769 -4.7644 -3.0788 -3.0175 -2.9086 -2.9082 -2.1995 -2.1991 -1.3161 -1.2451 -0.6759 -0.6548 -0.3020 -0.2649 0.3229 0.4324 0.5018 0.5077 1.3570 1.5155 1.6555 1.6782 2.2777 2.2796 2.3394 2.3401 2.8511 2.8631 2.8746 2.8759 3.1581 3.1626 3.1783 3.1870 3.3656 3.3716 7.8366 8.4227 9.6557 9.8313 10.5469 10.7353 11.5272 11.5415 11.8481 11.8505 k = 0.2108-0.3007 0.3471 ( 4100 PWs) bands (ev): -16.0729 -16.0701 -15.3108 -15.3102 -14.4002 -14.3946 -14.0739 -14.0738 -13.6613 -13.6591 -13.5946 -13.5932 -5.6295 -5.6287 -4.7886 -4.7769 -3.0801 -3.0166 -2.9243 -2.9237 -2.2240 -2.2236 -1.3048 -1.2359 -0.6744 -0.6537 -0.2853 -0.2455 0.3234 0.4331 0.5177 0.5241 1.3530 1.5161 1.6442 1.6699 2.2781 2.2798 2.3406 2.3421 2.8401 2.8501 2.8721 2.8755 3.1635 3.1656 3.1829 3.1894 3.3603 3.3663 7.8214 8.3983 9.6457 9.8226 10.5508 10.7301 11.5311 11.5456 11.8536 11.8562 k = 0.2030-0.2896 0.3471 ( 4096 PWs) bands (ev): -16.0892 -16.0864 -15.3201 -15.3195 -14.3812 -14.3754 -14.0656 -14.0656 -13.6568 -13.6547 -13.5931 -13.5914 -5.6075 -5.6067 -4.8000 -4.7892 -3.0813 -3.0159 -2.9398 -2.9390 -2.2479 -2.2475 -1.2935 -1.2266 -0.6729 -0.6526 -0.2688 -0.2261 0.3240 0.4332 0.5347 0.5413 1.3477 1.5151 1.6297 1.6584 2.2786 2.2801 2.3433 2.3458 2.8277 2.8365 2.8712 2.8757 3.1630 3.1640 3.1919 3.1957 3.3565 3.3626 7.8055 8.3716 9.6364 9.8136 10.5535 10.7233 11.5348 11.5493 11.8605 11.8633 k = 0.1952-0.2784 0.3471 ( 4098 PWs) bands (ev): -16.1050 -16.1024 -15.3294 -15.3288 -14.3624 -14.3564 -14.0572 -14.0571 -13.6526 -13.6506 -13.5918 -13.5899 -5.5853 -5.5845 -4.8111 -4.8012 -3.0823 -3.0152 -2.9550 -2.9540 -2.2711 -2.2707 -1.2821 -1.2173 -0.6713 -0.6513 -0.2528 -0.2072 0.3251 0.4330 0.5525 0.5590 1.3410 1.5118 1.6130 1.6440 2.2789 2.2804 2.3478 2.3511 2.8146 2.8227 2.8712 2.8761 3.1589 3.1616 3.2011 3.2037 3.3542 3.3603 7.7892 8.3428 9.6278 9.8044 10.5550 10.7150 11.5377 11.5521 11.8686 11.8715 k = 0.1874-0.2673 0.3471 ( 4096 PWs) bands (ev): -16.1205 -16.1180 -15.3387 -15.3381 -14.3438 -14.3376 -14.0487 -14.0486 -13.6486 -13.6467 -13.5907 -13.5887 -5.5630 -5.5622 -4.8220 -4.8129 -3.0830 -3.0146 -2.9698 -2.9686 -2.2936 -2.2931 -1.2707 -1.2079 -0.6694 -0.6497 -0.2377 -0.1889 0.3269 0.4328 0.5708 0.5771 1.3326 1.5050 1.5957 1.6274 2.2790 2.2806 2.3539 2.3581 2.8013 2.8088 2.8716 2.8767 3.1544 3.1580 3.2094 3.2116 3.3536 3.3595 7.7724 8.3122 9.6198 9.7949 10.5553 10.7055 11.5396 11.5538 11.8778 11.8809 k = 0.1796-0.2561 0.3471 ( 4100 PWs) bands (ev): -16.1355 -16.1331 -15.3478 -15.3472 -14.3254 -14.3190 -14.0400 -14.0400 -13.6449 -13.6430 -13.5899 -13.5876 -5.5406 -5.5399 -4.8325 -4.8243 -3.0837 -3.0143 -2.9843 -2.9828 -2.3153 -2.3148 -1.2593 -1.1985 -0.6671 -0.6477 -0.2237 -0.1716 0.3296 0.4328 0.5892 0.5951 1.3224 1.4931 1.5799 1.6093 2.2789 2.2808 2.3615 2.3664 2.7879 2.7950 2.8724 2.8774 3.1496 3.1538 3.2166 3.2188 3.3545 3.3602 7.7553 8.2800 9.6124 9.7853 10.5545 10.6950 11.5403 11.5542 11.8879 11.8911 k = 0.1718-0.2450 0.3471 ( 4102 PWs) bands (ev): -16.1501 -16.1478 -15.3568 -15.3562 -14.3073 -14.3007 -14.0314 -14.0313 -13.6414 -13.6396 -13.5893 -13.5869 -5.5183 -5.5176 -4.8428 -4.8353 -3.0841 -3.0143 -2.9981 -2.9966 -2.3363 -2.3358 -1.2479 -1.1890 -0.6642 -0.6451 -0.2111 -0.1556 0.3334 0.4332 0.6074 0.6129 1.3102 1.4749 1.5674 1.5906 2.2787 2.2808 2.3702 2.3757 2.7746 2.7812 2.8734 2.8783 3.1446 3.1492 3.2227 3.2251 3.3568 3.3622 7.7381 8.2465 9.6056 9.7755 10.5528 10.6837 11.5396 11.5529 11.8988 11.9021 k = 0.1640-0.2339 0.3471 ( 4102 PWs) bands (ev): -16.1642 -16.1620 -15.3656 -15.3650 -14.2895 -14.2827 -14.0227 -14.0227 -13.6381 -13.6364 -13.5890 -13.5864 -5.4961 -5.4954 -4.8527 -4.8460 -3.0844 -3.0167 -3.0099 -3.0091 -2.3566 -2.3560 -1.2366 -1.1796 -0.6606 -0.6417 -0.2000 -0.1410 0.3385 0.4343 0.6250 0.6300 1.2959 1.4506 1.5586 1.5721 2.2784 2.2807 2.3799 2.3859 2.7614 2.7677 2.8747 2.8792 3.1396 3.1445 3.2277 3.2305 3.3603 3.3654 7.7209 8.2120 9.5993 9.7656 10.5502 10.6718 11.5374 11.5501 11.9103 11.9138 k = 0.1562-0.2227 0.3471 ( 4102 PWs) bands (ev): -16.1778 -16.1757 -15.3742 -15.3736 -14.2720 -14.2651 -14.0141 -14.0140 -13.6350 -13.6334 -13.5888 -13.5861 -5.4741 -5.4734 -4.8623 -4.8562 -3.0847 -3.0273 -3.0226 -3.0117 -2.3760 -2.3754 -1.2254 -1.1703 -0.6562 -0.6375 -0.1906 -0.1282 0.3448 0.4362 0.6415 0.6459 1.2794 1.4221 1.5524 1.5545 2.2781 2.2806 2.3902 2.3966 2.7485 2.7544 2.8762 2.8803 3.1345 3.1397 3.2318 3.2350 3.3650 3.3697 7.7037 8.1766 9.5935 9.7555 10.5469 10.6596 11.5337 11.5457 11.9224 11.9259 k = 0.1484-0.2116 0.3471 ( 4102 PWs) bands (ev): -16.1908 -16.1888 -15.3826 -15.3820 -14.2548 -14.2479 -14.0056 -14.0055 -13.6322 -13.6307 -13.5889 -13.5861 -5.4523 -5.4517 -4.8714 -4.8660 -3.0851 -3.0399 -3.0344 -3.0120 -2.3947 -2.3940 -1.2142 -1.1610 -0.6508 -0.6323 -0.1829 -0.1174 0.3525 0.4390 0.6564 0.6603 1.2609 1.3912 1.5384 1.5476 2.2776 2.2804 2.4008 2.4073 2.7361 2.7416 2.8779 2.8814 3.1293 3.1348 3.2351 3.2387 3.3705 3.3747 7.6869 8.1407 9.5883 9.7453 10.5430 10.6471 11.5286 11.5397 11.9348 11.9383 k = 0.1405-0.2005 0.3471 ( 4100 PWs) bands (ev): -16.2033 -16.2015 -15.3907 -15.3902 -14.2381 -14.2312 -13.9972 -13.9971 -13.6296 -13.6282 -13.5893 -13.5863 -5.4310 -5.4304 -4.8802 -4.8754 -3.0859 -3.0524 -3.0451 -3.0120 -2.4125 -2.4118 -1.2031 -1.1518 -0.6443 -0.6260 -0.1769 -0.1086 0.3615 0.4428 0.6691 0.6726 1.2409 1.3594 1.5242 1.5435 2.2772 2.2801 2.4113 2.4180 2.7243 2.7293 2.8797 2.8827 3.1241 3.1298 3.2377 3.2418 3.3766 3.3805 7.6704 8.1044 9.5834 9.7351 10.5387 10.6346 11.5222 11.5323 11.9475 11.9510 k = 0.1327-0.1893 0.3471 ( 4100 PWs) bands (ev): -16.2153 -16.2135 -15.3985 -15.3980 -14.2219 -14.2149 -13.9889 -13.9888 -13.6272 -13.6260 -13.5898 -13.5867 -5.4101 -5.4095 -4.8886 -4.8843 -3.0878 -3.0644 -3.0541 -3.0121 -2.4295 -2.4287 -1.1922 -1.1428 -0.6367 -0.6185 -0.1725 -0.1018 0.3715 0.4475 0.6791 0.6821 1.2202 1.3278 1.5120 1.5398 2.2768 2.2799 2.4215 2.4282 2.7132 2.7177 2.8817 2.8840 3.1190 3.1249 3.2399 3.2443 3.3832 3.3867 7.6545 8.0679 9.5790 9.7248 10.5341 10.6221 11.5146 11.5237 11.9603 11.9638 k = 0.1249-0.1782 0.3471 ( 4094 PWs) bands (ev): -16.2267 -16.2250 -15.4061 -15.4056 -14.2061 -14.1992 -13.9808 -13.9807 -13.6251 -13.6239 -13.5905 -13.5874 -5.3897 -5.3891 -4.8965 -4.8928 -3.0915 -3.0761 -3.0606 -3.0123 -2.4457 -2.4449 -1.1814 -1.1339 -0.6277 -0.6098 -0.1695 -0.0971 0.3824 0.4531 0.6855 0.6883 1.1999 1.2977 1.5019 1.5362 2.2764 2.2796 2.4312 2.4377 2.7030 2.7070 2.8838 2.8854 3.1140 3.1199 3.2416 3.2464 3.3901 3.3931 7.6393 8.0315 9.5751 9.7145 10.5292 10.6099 11.5061 11.5141 11.9732 11.9766 k = 0.1171-0.1671 0.3471 ( 4098 PWs) bands (ev): -16.2375 -16.2359 -15.4133 -15.4128 -14.1909 -14.1841 -13.9730 -13.9729 -13.6231 -13.6221 -13.5913 -13.5882 -5.3700 -5.3695 -4.9040 -4.9008 -3.0975 -3.0873 -3.0640 -3.0126 -2.4610 -2.4601 -1.1707 -1.1253 -0.6176 -0.5998 -0.1678 -0.0945 0.3940 0.4593 0.6877 0.6905 1.1810 1.2699 1.4936 1.5326 2.2761 2.2793 2.4400 2.4462 2.6939 2.6973 2.8860 2.8869 3.1090 3.1150 3.2431 3.2482 3.3971 3.3998 7.6249 7.9954 9.5715 9.7042 10.5243 10.5980 11.4968 11.5038 11.9860 11.9893 k = 0.1093-0.1559 0.3471 ( 4092 PWs) bands (ev): -16.2476 -16.2461 -15.4201 -15.4197 -14.1763 -14.1696 -13.9654 -13.9653 -13.6214 -13.6205 -13.5924 -13.5893 -5.3510 -5.3505 -4.9111 -4.9083 -3.1051 -3.0979 -3.0651 -3.0129 -2.4754 -2.4745 -1.1603 -1.1170 -0.6061 -0.5885 -0.1671 -0.0936 0.4060 0.4661 0.6850 0.6883 1.1646 1.2454 1.4871 1.5290 2.2758 2.2790 2.4478 2.4535 2.6861 2.6888 2.8883 2.8885 3.1041 3.1102 3.2444 3.2496 3.4041 3.4065 7.6115 7.9598 9.5683 9.6940 10.5194 10.5864 11.4870 11.4929 11.9987 12.0019 k = 0.1015-0.1448 0.3471 ( 4094 PWs) bands (ev): -16.2571 -16.2558 -15.4266 -15.4261 -14.1623 -14.1558 -13.9582 -13.9581 -13.6198 -13.6192 -13.5935 -13.5905 -5.3328 -5.3323 -4.9177 -4.9153 -3.1134 -3.1081 -3.0648 -3.0135 -2.4889 -2.4880 -1.1502 -1.1091 -0.5933 -0.5760 -0.1672 -0.0944 0.4180 0.4731 0.6773 0.6813 1.1515 1.2246 1.4820 1.5254 2.2756 2.2787 2.4543 2.4595 2.6796 2.6817 2.8902 2.8906 3.0994 3.1055 3.2455 3.2509 3.4109 3.4131 7.5992 7.9248 9.5656 9.6838 10.5146 10.5753 11.4768 11.4818 12.0111 12.0142 k = 0.0937-0.1336 0.3471 ( 4094 PWs) bands (ev): -16.2660 -16.2648 -15.4326 -15.4322 -14.1490 -14.1427 -13.9513 -13.9512 -13.6185 -13.6180 -13.5947 -13.5918 -5.3155 -5.3151 -4.9239 -4.9218 -3.1219 -3.1177 -3.0636 -3.0141 -2.5015 -2.5006 -1.1404 -1.1015 -0.5794 -0.5624 -0.1678 -0.0966 0.4299 0.4801 0.6645 0.6696 1.1422 1.2080 1.4781 1.5218 2.2754 2.2784 2.4595 2.4640 2.6746 2.6760 2.8919 2.8930 3.0949 3.1009 3.2466 3.2519 3.4177 3.4195 7.5882 7.8906 9.5633 9.6737 10.5099 10.5648 11.4665 11.4706 12.0232 12.0261 k = 0.0859-0.1225 0.3471 ( 4098 PWs) bands (ev): -16.2742 -16.2731 -15.4383 -15.4379 -14.1365 -14.1304 -13.9448 -13.9446 -13.6173 -13.6170 -13.5960 -13.5932 -5.2992 -5.2989 -4.9296 -4.9278 -3.1301 -3.1267 -3.0620 -3.0149 -2.5132 -2.5123 -1.1308 -1.0944 -0.5644 -0.5478 -0.1688 -0.1000 0.4412 0.4867 0.6473 0.6535 1.1366 1.1955 1.4754 1.5182 2.2752 2.2781 2.4631 2.4669 2.6710 2.6717 2.8937 2.8954 3.0905 3.0965 3.2475 3.2528 3.4241 3.4258 7.5786 7.8575 9.5615 9.6638 10.5056 10.5548 11.4563 11.4595 12.0349 12.0376 k = 0.0781-0.1114 0.3471 ( 4094 PWs) bands (ev): -16.2818 -16.2807 -15.4435 -15.4432 -14.1247 -14.1190 -13.9387 -13.9386 -13.6163 -13.6161 -13.5973 -13.5947 -5.2840 -5.2837 -4.9348 -4.9333 -3.1379 -3.1351 -3.0599 -3.0159 -2.5239 -2.5231 -1.1217 -1.0878 -0.5484 -0.5323 -0.1699 -0.1044 0.4517 0.4926 0.6267 0.6339 1.1344 1.1868 1.4737 1.5146 2.2751 2.2778 2.4654 2.4685 2.6689 2.6689 2.8956 2.8977 3.0864 3.0922 3.2484 3.2535 3.4303 3.4317 7.5706 7.8254 9.5602 9.6542 10.5016 10.5455 11.4463 11.4489 12.0460 12.0485 k = 0.0703-0.1002 0.3471 ( 4086 PWs) bands (ev): -16.2886 -16.2877 -15.4483 -15.4480 -14.1139 -14.1085 -13.9330 -13.9329 -13.6155 -13.6155 -13.5986 -13.5963 -5.2699 -5.2696 -4.9395 -4.9383 -3.1452 -3.1429 -3.0577 -3.0170 -2.5336 -2.5328 -1.1130 -1.0819 -0.5318 -0.5163 -0.1709 -0.1096 0.4608 0.4972 0.6041 0.6121 1.1349 1.1811 1.4728 1.5111 2.2751 2.2775 2.4663 2.4688 2.6674 2.6679 2.8974 2.8999 3.0826 3.0882 3.2492 3.2541 3.4361 3.4374 7.5642 7.7947 9.5594 9.6447 10.4980 10.5368 11.4368 11.4387 12.0565 12.0589 k = 0.0625-0.0891 0.3471 ( 4084 PWs) bands (ev): -16.2947 -16.2939 -15.4526 -15.4523 -14.1039 -14.0989 -13.9279 -13.9278 -13.6149 -13.6148 -13.5998 -13.5978 -5.2571 -5.2568 -4.9437 -4.9427 -3.1519 -3.1499 -3.0552 -3.0183 -2.5424 -2.5417 -1.1049 -1.0766 -0.5147 -0.5000 -0.1717 -0.1154 0.4681 0.4995 0.5816 0.5895 1.1376 1.1779 1.4725 1.5078 2.2750 2.2772 2.4662 2.4681 2.6670 2.6679 2.8993 2.9020 3.0792 3.0844 3.2500 3.2545 3.4414 3.4425 7.5595 7.7653 9.5591 9.6356 10.4948 10.5287 11.4279 11.4293 12.0664 12.0684 k = 0.0547-0.0780 0.3471 ( 4092 PWs) bands (ev): -16.3002 -16.2995 -15.4564 -15.4562 -14.0949 -14.0904 -13.9233 -13.9232 -13.6145 -13.6142 -13.6009 -13.5992 -5.2456 -5.2454 -4.9475 -4.9467 -3.1579 -3.1563 -3.0526 -3.0198 -2.5502 -2.5495 -1.0972 -1.0720 -0.4976 -0.4839 -0.1722 -0.1215 0.4723 0.4975 0.5623 0.5684 1.1417 1.1764 1.4729 1.5045 2.2750 2.2769 2.4653 2.4666 2.6674 2.6685 2.9011 2.9039 3.0760 3.0809 3.2507 3.2548 3.4463 3.4472 7.5567 7.7375 9.5593 9.6268 10.4921 10.5214 11.4197 11.4207 12.0753 12.0772 k = 0.0468-0.0668 0.3471 ( 4088 PWs) bands (ev): -16.3049 -16.3043 -15.4597 -15.4595 -14.0869 -14.0829 -13.9192 -13.9191 -13.6143 -13.6138 -13.6020 -13.6006 -5.2355 -5.2353 -4.9508 -4.9501 -3.1633 -3.1619 -3.0500 -3.0214 -2.5569 -2.5563 -1.0902 -1.0682 -0.4809 -0.4684 -0.1723 -0.1278 0.4717 0.4887 0.5497 0.5514 1.1466 1.1761 1.4738 1.5013 2.2750 2.2766 2.4638 2.4648 2.6684 2.6697 2.9029 2.9056 3.0733 3.0777 3.2513 3.2550 3.4506 3.4514 7.5559 7.7114 9.5602 9.6184 10.4899 10.5147 11.4123 11.4130 12.0834 12.0850 k = 0.0390-0.0557 0.3471 ( 4092 PWs) bands (ev): -16.3089 -16.3084 -15.4626 -15.4624 -14.0799 -14.0766 -13.9157 -13.9156 -13.6141 -13.6135 -13.6028 -13.6018 -5.2268 -5.2266 -4.9535 -4.9530 -3.1678 -3.1667 -3.0473 -3.0232 -2.5626 -2.5621 -1.0838 -1.0652 -0.4651 -0.4539 -0.1719 -0.1341 0.4650 0.4739 0.5411 0.5441 1.1518 1.1762 1.4750 1.4983 2.2750 2.2764 2.4620 2.4627 2.6697 2.6710 2.9045 2.9071 3.0710 3.0748 3.2519 3.2551 3.4544 3.4551 7.5571 7.6871 9.5617 9.6105 10.4884 10.5088 11.4059 11.4064 12.0905 12.0918 k = 0.0312-0.0445 0.3471 ( 4082 PWs) bands (ev): -16.3122 -16.3118 -15.4649 -15.4648 -14.0741 -14.0714 -13.9128 -13.9128 -13.6139 -13.6133 -13.6036 -13.6029 -5.2196 -5.2195 -4.9558 -4.9554 -3.1716 -3.1707 -3.0446 -3.0251 -2.5673 -2.5669 -1.0782 -1.0631 -0.4507 -0.4412 -0.1709 -0.1403 0.4535 0.4572 0.5371 0.5424 1.1571 1.1764 1.4766 1.4954 2.2750 2.2762 2.4603 2.4607 2.6711 2.6723 2.9060 2.9082 3.0692 3.0723 3.2525 3.2552 3.4576 3.4581 7.5604 7.6647 9.5638 9.6030 10.4874 10.5036 11.4006 11.4009 12.0965 12.0976 k = 0.0234-0.0334 0.3471 ( 4082 PWs) bands (ev): -16.3147 -16.3144 -15.4667 -15.4666 -14.0695 -14.0674 -13.9105 -13.9105 -13.6138 -13.6133 -13.6042 -13.6037 -5.2140 -5.2139 -4.9575 -4.9572 -3.1745 -3.1739 -3.0419 -3.0271 -2.5710 -2.5707 -1.0733 -1.0618 -0.4383 -0.4309 -0.1693 -0.1461 0.4408 0.4419 0.5367 0.5420 1.1619 1.1764 1.4784 1.4927 2.2751 2.2760 2.4587 2.4590 2.6725 2.6734 2.9073 2.9091 3.0678 3.0702 3.2531 3.2551 3.4601 3.4604 7.5659 7.6442 9.5665 9.5960 10.4870 10.4991 11.3964 11.3965 12.1012 12.1021 k = 0.0156-0.0223 0.3471 ( 4090 PWs) bands (ev): -16.3165 -16.3163 -15.4680 -15.4679 -14.0660 -14.0646 -13.9089 -13.9089 -13.6138 -13.6133 -13.6046 -13.6043 -5.2099 -5.2099 -4.9587 -4.9586 -3.1766 -3.1762 -3.0392 -3.0293 -2.5736 -2.5734 -1.0692 -1.0615 -0.4285 -0.4234 -0.1671 -0.1515 0.4300 0.4300 0.5379 0.5418 1.1663 1.1759 1.4805 1.4900 2.2752 2.2758 2.4575 2.4576 2.6736 2.6742 2.9083 2.9096 3.0669 3.0686 3.2535 3.2549 3.4619 3.4621 7.5735 7.6258 9.5698 9.5896 10.4873 10.4953 11.3933 11.3934 12.1047 12.1053 k = 0.0078-0.0111 0.3471 ( 4080 PWs) bands (ev): -16.3176 -16.3175 -15.4688 -15.4687 -14.0638 -14.0631 -13.9079 -13.9079 -13.6136 -13.6134 -13.6048 -13.6047 -5.2075 -5.2074 -4.9595 -4.9594 -3.1778 -3.1776 -3.0366 -3.0317 -2.5751 -2.5750 -1.0659 -1.0621 -0.4218 -0.4192 -0.1642 -0.1564 0.4226 0.4227 0.5393 0.5414 1.1699 1.1747 1.4827 1.4875 2.2753 2.2756 2.4567 2.4568 2.6744 2.6747 2.9091 2.9098 3.0666 3.0674 3.2540 3.2547 3.4630 3.4631 7.5833 7.6095 9.5738 9.5837 10.4883 10.4923 11.3915 11.3915 12.1069 12.1072 k = 0.0000 0.0000 0.3471 ( 4082 PWs) bands (ev): -16.3179 -16.3179 -15.4690 -15.4690 -14.0628 -14.0628 -13.9076 -13.9076 -13.6135 -13.6135 -13.6048 -13.6048 -5.2067 -5.2067 -4.9597 -4.9597 -3.1782 -3.1782 -3.0341 -3.0341 -2.5756 -2.5756 -1.0636 -1.0636 -0.4187 -0.4187 -0.1606 -0.1606 0.4201 0.4201 0.5406 0.5406 1.1727 1.1727 1.4850 1.4850 2.2754 2.2754 2.4565 2.4565 2.6748 2.6748 2.9096 2.9096 3.0668 3.0668 3.2543 3.2543 3.4634 3.4634 7.5953 7.5953 9.5785 9.5785 10.4899 10.4899 11.3908 11.3908 12.1078 12.1078 k = 0.0000 0.0000 0.3471 ( 4082 PWs) bands (ev): -16.3179 -16.3179 -15.4690 -15.4690 -14.0628 -14.0628 -13.9076 -13.9076 -13.6135 -13.6135 -13.6048 -13.6048 -5.2067 -5.2067 -4.9597 -4.9597 -3.1782 -3.1782 -3.0341 -3.0341 -2.5756 -2.5756 -1.0636 -1.0636 -0.4187 -0.4187 -0.1606 -0.1606 0.4201 0.4201 0.5406 0.5406 1.1727 1.1727 1.4850 1.4850 2.2754 2.2754 2.4565 2.4565 2.6748 2.6748 2.9096 2.9096 3.0668 3.0668 3.2543 3.2543 3.4634 3.4634 7.5953 7.5953 9.5785 9.5785 10.4899 10.4899 11.3908 11.3908 12.1078 12.1078 k = 0.0112 0.0079 0.3471 ( 4081 PWs) bands (ev): -16.3174 -16.3173 -15.4690 -15.4683 -14.0635 -14.0633 -13.9079 -13.9075 -13.6242 -13.6169 -13.6017 -13.5951 -5.2092 -5.2072 -4.9590 -4.9590 -3.1797 -3.1760 -3.0332 -3.0302 -2.5784 -2.5737 -1.0677 -1.0626 -0.4299 -0.4116 -0.1671 -0.1519 0.4086 0.4316 0.5301 0.5541 1.1710 1.1764 1.4853 1.4887 2.2741 2.2749 2.4559 2.4562 2.6712 2.6727 2.9088 2.9105 3.0637 3.0685 3.2517 3.2591 3.4632 3.4634 7.5847 7.6083 9.5638 9.5937 10.4837 10.4962 11.3910 11.3925 12.1042 12.1126 k = 0.0224 0.0157 0.3471 ( 4074 PWs) bands (ev): -16.3157 -16.3156 -15.4682 -15.4669 -14.0655 -14.0649 -13.9086 -13.9079 -13.6358 -13.6281 -13.5919 -13.5855 -5.2149 -5.2108 -4.9570 -4.9569 -3.1805 -3.1734 -3.0274 -3.0218 -2.5822 -2.5728 -1.0749 -1.0649 -0.4445 -0.4091 -0.1708 -0.1415 0.3977 0.4415 0.5243 0.5698 1.1714 1.1821 1.4896 1.4964 2.2709 2.2724 2.4545 2.4551 2.6622 2.6651 2.9080 2.9114 3.0594 3.0687 3.2513 3.2659 3.4626 3.4631 7.5767 7.6238 9.5497 9.6094 10.4773 10.5025 11.3930 11.3960 12.1020 12.1186 k = 0.0336 0.0236 0.3471 ( 4079 PWs) bands (ev): -16.3128 -16.3126 -15.4666 -15.4647 -14.0685 -14.0677 -13.9097 -13.9086 -13.6478 -13.6398 -13.5826 -13.5766 -5.2235 -5.2175 -4.9537 -4.9535 -3.1801 -3.1702 -3.0171 -3.0094 -2.5867 -2.5729 -1.0851 -1.0704 -0.4618 -0.4114 -0.1714 -0.1299 0.3878 0.4474 0.5251 0.5873 1.1741 1.1895 1.4978 1.5077 2.2658 2.2681 2.4519 2.4529 2.6485 2.6525 2.9071 2.9119 3.0541 3.0673 3.2532 3.2743 3.4618 3.4624 7.5712 7.6416 9.5362 9.6257 10.4708 10.5089 11.3968 11.4013 12.1009 12.1258 k = 0.0448 0.0314 0.3471 ( 4080 PWs) bands (ev): -16.3088 -16.3086 -15.4644 -15.4618 -14.0727 -14.0717 -13.9113 -13.9100 -13.6600 -13.6518 -13.5741 -13.5684 -5.2351 -5.2272 -4.9490 -4.9488 -3.1781 -3.1660 -3.0026 -2.9936 -2.5920 -2.5738 -1.0981 -1.0791 -0.4811 -0.4182 -0.1688 -0.1177 0.3789 0.4481 0.5336 0.6060 1.1790 1.1988 1.5099 1.5227 2.2588 2.2617 2.4478 2.4494 2.6308 2.6357 2.9060 2.9121 3.0482 3.0645 3.2571 3.2842 3.4607 3.4615 7.5681 7.6615 9.5233 9.6423 10.4639 10.5156 11.4025 11.4084 12.1010 12.1342 k = 0.0561 0.0393 0.3471 ( 4078 PWs) bands (ev): -16.3036 -16.3034 -15.4614 -15.4582 -14.0779 -14.0767 -13.9136 -13.9122 -13.6723 -13.6639 -13.5663 -13.5610 -5.2493 -5.2397 -4.9432 -4.9429 -3.1742 -3.1604 -2.9847 -2.9751 -2.5978 -2.5753 -1.1136 -1.0907 -0.5018 -0.4289 -0.1635 -0.1050 0.3709 0.4447 0.5481 0.6256 1.1863 1.2097 1.5254 1.5408 2.2498 2.2534 2.4417 2.4441 2.6101 2.6156 2.9045 2.9117 3.0417 3.0604 3.2627 3.2952 3.4594 3.4604 7.5675 7.6836 9.5110 9.6594 10.4567 10.5225 11.4100 11.4174 12.1023 12.1437 k = 0.0673 0.0472 0.3471 ( 4079 PWs) bands (ev): -16.2973 -16.2970 -15.4577 -15.4539 -14.0841 -14.0828 -13.9167 -13.9154 -13.6843 -13.6758 -13.5592 -13.5543 -5.2660 -5.2549 -4.9361 -4.9356 -3.1683 -3.1533 -2.9639 -2.9543 -2.6038 -2.5773 -1.1314 -1.1050 -0.5234 -0.4425 -0.1558 -0.0921 0.3635 0.4390 0.5663 0.6458 1.1958 1.2222 1.5442 1.5618 2.2387 2.2427 2.4331 2.4365 2.5878 2.5935 2.9025 2.9106 3.0349 3.0554 3.2697 3.3071 3.4579 3.4591 7.5693 7.7075 9.4994 9.6767 10.4490 10.5298 11.4194 11.4281 12.1045 12.1541 k = 0.0785 0.0550 0.3471 ( 4085 PWs) bands (ev): -16.2899 -16.2895 -15.4532 -15.4488 -14.0912 -14.0899 -13.9210 -13.9198 -13.6959 -13.6874 -13.5530 -13.5485 -5.2852 -5.2727 -4.9280 -4.9272 -3.1603 -3.1444 -2.9411 -2.9321 -2.6097 -2.5794 -1.1511 -1.1218 -0.5453 -0.4581 -0.1466 -0.0792 0.3566 0.4322 0.5867 0.6664 1.2075 1.2364 1.5658 1.5854 2.2248 2.2293 2.4218 2.4264 2.5648 2.5708 2.9000 2.9090 3.0280 3.0498 3.2778 3.3197 3.4563 3.4578 7.5733 7.7330 9.4884 9.6943 10.4409 10.5375 11.4307 11.4408 12.1076 12.1653 k = 0.0897 0.0629 0.3471 ( 4083 PWs) bands (ev): -16.2813 -16.2809 -15.4481 -15.4431 -14.0993 -14.0980 -13.9266 -13.9257 -13.7068 -13.6984 -13.5475 -13.5434 -5.3066 -5.2928 -4.9186 -4.9176 -3.1502 -3.1337 -2.9169 -2.9088 -2.6151 -2.5811 -1.1724 -1.1406 -0.5671 -0.4750 -0.1361 -0.0664 0.3499 0.4249 0.6080 0.6869 1.2212 1.2523 1.5895 1.6109 2.2075 2.2125 2.4078 2.4138 2.5425 2.5485 2.8968 2.9067 3.0213 3.0440 3.2865 3.3328 3.4547 3.4567 7.5794 7.7600 9.4781 9.7120 10.4322 10.5455 11.4439 11.4552 12.1115 12.1771 k = 0.1009 0.0707 0.3471 ( 4083 PWs) bands (ev): -16.2716 -16.2711 -15.4423 -15.4367 -14.1083 -14.1070 -13.9337 -13.9332 -13.7168 -13.7087 -13.5428 -13.5390 -5.3300 -5.3150 -4.9082 -4.9068 -3.1381 -3.1211 -2.8923 -2.8852 -2.6194 -2.5817 -1.1950 -1.1611 -0.5884 -0.4923 -0.1250 -0.0540 0.3433 0.4173 0.6298 0.7073 1.2369 1.2699 1.6148 1.6377 2.1858 2.1915 2.3919 2.3997 2.5213 2.5274 2.8931 2.9035 3.0151 3.0384 3.2956 3.3461 3.4531 3.4558 7.5875 7.7883 9.4686 9.7298 10.4231 10.5540 11.4590 11.4715 12.1161 12.1895 k = 0.1121 0.0786 0.3471 ( 4085 PWs) bands (ev): -16.2607 -16.2602 -15.4359 -15.4297 -14.1182 -14.1170 -13.9425 -13.9424 -13.7258 -13.7179 -13.5389 -13.5355 -5.3553 -5.3392 -4.8966 -4.8949 -3.1242 -3.1068 -2.8690 -2.8616 -2.6217 -2.5805 -1.2184 -1.1827 -0.6089 -0.5096 -0.1137 -0.0423 0.3367 0.4096 0.6514 0.7272 1.2543 1.2891 1.6409 1.6651 2.1585 2.1654 2.3751 2.3856 2.5016 2.5077 2.8885 2.8993 3.0100 3.0336 3.3048 3.3594 3.4518 3.4555 7.5974 7.8174 9.4599 9.7474 10.4135 10.5628 11.4760 11.4897 12.1213 12.2022 k = 0.1233 0.0865 0.3471 ( 4087 PWs) bands (ev): -16.2488 -16.2483 -15.4288 -15.4220 -14.1291 -14.1280 -13.9534 -13.9528 -13.7336 -13.7261 -13.5357 -13.5326 -5.3822 -5.3652 -4.8840 -4.8818 -3.1086 -3.0910 -2.8484 -2.8389 -2.6210 -2.5764 -1.2422 -1.2051 -0.6283 -0.5264 -0.1024 -0.0314 0.3299 0.4018 0.6726 0.7464 1.2732 1.3100 1.6671 1.6923 2.1250 2.1338 2.3590 2.3734 2.4831 2.4893 2.8831 2.8936 3.0064 3.0301 3.3136 3.3721 3.4511 3.4560 7.6088 7.8473 9.4521 9.7647 10.4035 10.5720 11.4948 11.5096 12.1268 12.2149 k = 0.1345 0.0943 0.3471 ( 4091 PWs) bands (ev): -16.2358 -16.2352 -15.4211 -15.4138 -14.1411 -14.1402 -13.9659 -13.9646 -13.7402 -13.7332 -13.5333 -13.5304 -5.4106 -5.3928 -4.8702 -4.8677 -3.0917 -3.0739 -2.8315 -2.8185 -2.6159 -2.5681 -1.2660 -1.2277 -0.6465 -0.5423 -0.0915 -0.0215 0.3229 0.3941 0.6931 0.7648 1.2933 1.3325 1.6923 1.7181 2.0858 2.0964 2.3446 2.3643 2.4654 2.4716 2.8768 2.8864 3.0048 3.0284 3.3217 3.3836 3.4515 3.4578 7.6216 7.8776 9.4452 9.7817 10.3933 10.5815 11.5153 11.5313 12.1326 12.2277 k = 0.1457 0.1022 0.3471 ( 4090 PWs) bands (ev): -16.2217 -16.2210 -15.4128 -15.4050 -14.1543 -14.1536 -13.9797 -13.9777 -13.7458 -13.7392 -13.5315 -13.5289 -5.4403 -5.4219 -4.8554 -4.8524 -3.0739 -3.0558 -2.8189 -2.8025 -2.6049 -2.5548 -1.2894 -1.2499 -0.6633 -0.5570 -0.0814 -0.0130 0.3155 0.3866 0.7126 0.7822 1.3142 1.3564 1.7155 1.7411 2.0420 2.0543 2.3323 2.3588 2.4483 2.4547 2.8695 2.8775 3.0055 3.0287 3.3289 3.3930 3.4536 3.4615 7.6355 7.9080 9.4395 9.7981 10.3828 10.5913 11.5377 11.5547 12.1384 12.2401 k = 0.1569 0.1100 0.3471 ( 4100 PWs) bands (ev): -16.2065 -16.2058 -15.4040 -15.3957 -14.1689 -14.1683 -13.9945 -13.9919 -13.7504 -13.7442 -13.5305 -13.5281 -5.4711 -5.4521 -4.8396 -4.8361 -3.0554 -3.0370 -2.8107 -2.7918 -2.5873 -2.5360 -1.3118 -1.2713 -0.6785 -0.5705 -0.0722 -0.0060 0.3079 0.3793 0.7310 0.7984 1.3356 1.3815 1.7350 1.7588 1.9964 2.0091 2.3220 2.3565 2.4321 2.4386 2.8614 2.8673 3.0084 3.0311 3.3349 3.3993 3.4578 3.4680 7.6504 7.9382 9.4350 9.8138 10.3724 10.6013 11.5617 11.5798 12.1443 12.2522 k = 0.1682 0.1179 0.3471 ( 4096 PWs) bands (ev): -16.1903 -16.1895 -15.3946 -15.3858 -14.1850 -14.1845 -14.0098 -14.0066 -13.7542 -13.7485 -13.5302 -13.5278 -5.5028 -5.4834 -4.8227 -4.8188 -3.0369 -3.0180 -2.8064 -2.7866 -2.5630 -2.5119 -1.3330 -1.2913 -0.6922 -0.5824 -0.0642 -0.0008 0.2999 0.3723 0.7482 0.8133 1.3569 1.4074 1.7482 1.7671 1.9532 1.9643 2.3129 2.3564 2.4176 2.4238 2.8527 2.8568 3.0133 3.0356 3.3394 3.4024 3.4637 3.4779 7.6661 7.9679 9.4318 9.8287 10.3623 10.6114 11.5873 11.6064 12.1500 12.2636 k = 0.1794 0.1258 0.3471 ( 4096 PWs) bands (ev): -16.1730 -16.1722 -15.3848 -15.3755 -14.2030 -14.2023 -14.0252 -14.0215 -13.7574 -13.7521 -13.5306 -13.5281 -5.5353 -5.5156 -4.8047 -4.8004 -3.0188 -2.9992 -2.8052 -2.7858 -2.5330 -2.4832 -1.3524 -1.3094 -0.7042 -0.5927 -0.0575 0.0026 0.2915 0.3655 0.7640 0.8269 1.3776 1.4336 1.7500 1.7590 1.9190 1.9263 2.3041 2.3561 2.4068 2.4109 2.8429 2.8476 3.0199 3.0420 3.3426 3.4032 3.4711 3.4906 7.6822 7.9968 9.4300 9.8425 10.3526 10.6216 11.6143 11.6344 12.1555 12.2744 k = 0.1906 0.1336 0.3471 ( 4096 PWs) bands (ev): -16.1547 -16.1538 -15.3745 -15.3648 -14.2229 -14.2218 -14.0403 -14.0363 -13.7601 -13.7553 -13.5316 -13.5289 -5.5685 -5.5485 -4.7858 -4.7810 -3.0016 -2.9809 -2.8061 -2.7883 -2.4987 -2.4505 -1.3698 -1.3253 -0.7145 -0.6013 -0.0524 0.0039 0.2827 0.3591 0.7783 0.8390 1.3970 1.4592 1.7295 1.7336 1.8963 1.9058 2.2951 2.3519 2.3984 2.4049 2.8326 2.8407 3.0279 3.0498 3.3446 3.4025 3.4799 3.5055 7.6986 8.0246 9.4297 9.8551 10.3436 10.6318 11.6428 11.6637 12.1606 12.2844 k = 0.2018 0.1415 0.3471 ( 4094 PWs) bands (ev): -16.1354 -16.1345 -15.3638 -15.3537 -14.2448 -14.2433 -14.0547 -14.0506 -13.7625 -13.7581 -13.5331 -13.5303 -5.6021 -5.5819 -4.7659 -4.7606 -2.9858 -2.9637 -2.8083 -2.7929 -2.4608 -2.4145 -1.3846 -1.3386 -0.7231 -0.6082 -0.0490 0.0032 0.2735 0.3528 0.7911 0.8494 1.4142 1.4828 1.6843 1.6977 1.8862 1.8992 2.2857 2.3427 2.3897 2.4098 2.8233 2.8360 3.0368 3.0587 3.3456 3.4010 3.4900 3.5218 7.7151 8.0511 9.4310 9.8664 10.3356 10.6419 11.6724 11.6943 12.1652 12.2934 k = 0.2130 0.1493 0.3471 ( 4100 PWs) bands (ev): -16.1151 -16.1141 -15.3528 -15.3423 -14.2687 -14.2667 -14.0684 -14.0642 -13.7648 -13.7607 -13.5353 -13.5321 -5.6360 -5.6157 -4.7450 -4.7393 -2.9720 -2.9481 -2.8112 -2.7986 -2.4201 -2.3758 -1.3967 -1.3489 -0.7301 -0.6134 -0.0473 0.0005 0.2638 0.3467 0.8021 0.8580 1.4273 1.5014 1.6331 1.6515 1.8842 1.8968 2.2766 2.3310 2.3826 2.4205 2.8161 2.8338 3.0464 3.0684 3.3459 3.3992 3.5011 3.5390 7.7314 8.0759 9.4339 9.8762 10.3288 10.6519 11.7031 11.7257 12.1693 12.3015 k = 0.2242 0.1572 0.3471 ( 4094 PWs) bands (ev): -16.0938 -16.0928 -15.3414 -15.3306 -14.2945 -14.2921 -14.0810 -14.0769 -13.7669 -13.7632 -13.5379 -13.5344 -5.6700 -5.6498 -4.7233 -4.7171 -2.9607 -2.9344 -2.8147 -2.8044 -2.3770 -2.3347 -1.4058 -1.3561 -0.7353 -0.6168 -0.0474 -0.0042 0.2536 0.3407 0.8110 0.8644 1.4330 1.5058 1.5849 1.6094 1.8841 1.8936 2.2687 2.3187 2.3769 2.4344 2.8119 2.8346 3.0564 3.0784 3.3460 3.3974 3.5131 3.5569 7.7475 8.0989 9.4384 9.8845 10.3236 10.6616 11.7346 11.7580 12.1729 12.3087 k = 0.2354 0.1651 0.3471 ( 4096 PWs) bands (ev): -16.0716 -16.0706 -15.3298 -15.3188 -14.3220 -14.3192 -14.0926 -14.0886 -13.7691 -13.7658 -13.5410 -13.5372 -5.7041 -5.6840 -4.7006 -4.6940 -2.9519 -2.9231 -2.8190 -2.8093 -2.3320 -2.2916 -1.4117 -1.3599 -0.7389 -0.6185 -0.0494 -0.0109 0.2430 0.3346 0.8175 0.8682 1.4228 1.4817 1.5457 1.5936 1.8827 1.8878 2.2629 2.3067 2.3724 2.4503 2.8110 2.8385 3.0664 3.0884 3.3461 3.3959 3.5257 3.5754 7.7630 8.1197 9.4446 9.8912 10.3200 10.6710 11.7668 11.7909 12.1758 12.3148 k = 0.2466 0.1729 0.3471 ( 4105 PWs) bands (ev): -16.0486 -16.0475 -15.3180 -15.3067 -14.3513 -14.3481 -14.1032 -14.0994 -13.7713 -13.7683 -13.5446 -13.5403 -5.7380 -5.7181 -4.6771 -4.6701 -2.9459 -2.9147 -2.8240 -2.8128 -2.2851 -2.2466 -1.4144 -1.3604 -0.7409 -0.6186 -0.0535 -0.0194 0.2319 0.3283 0.8210 0.8686 1.3893 1.4371 1.5242 1.5979 1.8785 1.8786 2.2595 2.2952 2.3698 2.4678 2.8139 2.8454 3.0762 3.0981 3.3466 3.3949 3.5390 3.5942 7.7780 8.1382 9.4523 9.8963 10.3184 10.6800 11.7994 11.8242 12.1780 12.3200 k = 0.2578 0.1808 0.3471 ( 4110 PWs) bands (ev): -16.0246 -16.0234 -15.3061 -15.2946 -14.3819 -14.3783 -14.1127 -14.1091 -13.7737 -13.7711 -13.5485 -13.5439 -5.7717 -5.7520 -4.6527 -4.6454 -2.9426 -2.9094 -2.8290 -2.8154 -2.2365 -2.1999 -1.4137 -1.3575 -0.7413 -0.6170 -0.0595 -0.0298 0.2205 0.3219 0.8207 0.8649 1.3421 1.3856 1.5167 1.6051 1.8662 1.8716 2.2576 2.2844 2.3702 2.4868 2.8205 2.8553 3.0855 3.1070 3.3478 3.3945 3.5526 3.6133 7.7922 8.1543 9.4614 9.8999 10.3188 10.6886 11.8322 11.8576 12.1796 12.3241 k = 0.2691 0.1886 0.3471 ( 4113 PWs) bands (ev): -15.9998 -15.9986 -15.2942 -15.2825 -14.4138 -14.4099 -14.1213 -14.1179 -13.7763 -13.7739 -13.5528 -13.5478 -5.8049 -5.7856 -4.6276 -4.6200 -2.9416 -2.9073 -2.8334 -2.8175 -2.1865 -2.1516 -1.4099 -1.3515 -0.7402 -0.6139 -0.0678 -0.0419 0.2087 0.3152 0.8156 0.8559 1.2930 1.3343 1.5127 1.6092 1.8513 1.8622 2.2549 2.2746 2.3759 2.5073 2.8304 2.8674 3.0940 3.1149 3.3500 3.3950 3.5665 3.6326 7.8057 8.1677 9.4717 9.9020 10.3214 10.6967 11.8649 11.8909 12.1805 12.3273 k = 0.2803 0.1965 0.3471 ( 4107 PWs) bands (ev): -15.9742 -15.9729 -15.2822 -15.2705 -14.4466 -14.4425 -14.1290 -14.1258 -13.7791 -13.7770 -13.5574 -13.5521 -5.8377 -5.8188 -4.6018 -4.5940 -2.9426 -2.9083 -2.8371 -2.8195 -2.1353 -2.1021 -1.4029 -1.3424 -0.7377 -0.6093 -0.0782 -0.0558 0.1968 0.3082 0.8045 0.8403 1.2477 1.2870 1.5070 1.6075 1.8352 1.8515 2.2491 2.2661 2.3884 2.5294 2.8431 2.8815 3.1016 3.1214 3.3535 3.3963 3.5807 3.6520 7.8182 8.1785 9.4831 9.9028 10.3262 10.7044 11.8972 11.9238 12.1808 12.3296 k = 0.2915 0.2044 0.3471 ( 4111 PWs) bands (ev): -15.9478 -15.9465 -15.2704 -15.2586 -14.4803 -14.4759 -14.1357 -14.1328 -13.7821 -13.7802 -13.5623 -13.5566 -5.8698 -5.8513 -4.5753 -4.5673 -2.9453 -2.9119 -2.8402 -2.8218 -2.0829 -2.0514 -1.3931 -1.3306 -0.7339 -0.6033 -0.0909 -0.0717 0.1847 0.3009 0.7865 0.8174 1.2091 1.2458 1.4978 1.5986 1.8194 1.8406 2.2404 2.2582 2.4081 2.5531 2.8580 2.8968 3.1081 3.1265 3.3584 3.3987 3.5949 3.6714 7.8299 8.1866 9.4953 9.9024 10.3333 10.7114 11.9287 11.9562 12.1805 12.3311 k = 0.3027 0.2122 0.3471 ( 4114 PWs) bands (ev): -15.9207 -15.9194 -15.2587 -15.2470 -14.5145 -14.5100 -14.1417 -14.1389 -13.7855 -13.7837 -13.5675 -13.5615 -5.9012 -5.8832 -4.5483 -4.5401 -2.9495 -2.9175 -2.8430 -2.8243 -2.0297 -1.9998 -1.3806 -1.3164 -0.7289 -0.5960 -0.1059 -0.0895 0.1727 0.2931 0.7612 0.7871 1.1785 1.2119 1.4841 1.5820 1.8049 1.8306 2.2304 2.2500 2.4340 2.5783 2.8743 2.9128 3.1134 3.1299 3.3647 3.4021 3.6094 3.6907 7.8406 8.1918 9.5081 9.9009 10.3427 10.7179 11.9591 11.9878 12.1797 12.3317 k = 0.3139 0.2201 0.3471 ( 4112 PWs) bands (ev): -15.8930 -15.8916 -15.2473 -15.2358 -14.5492 -14.5446 -14.1468 -14.1442 -13.7891 -13.7873 -13.5729 -13.5666 -5.9317 -5.9143 -4.5207 -4.5126 -2.9549 -2.9246 -2.8457 -2.8270 -1.9760 -1.9476 -1.3658 -1.3001 -0.7228 -0.5876 -0.1234 -0.1093 0.1607 0.2848 0.7292 0.7507 1.1557 1.1854 1.4655 1.5578 1.7924 1.8222 2.2204 2.2415 2.4643 2.6048 2.8913 2.9292 3.1174 3.1318 3.3723 3.4065 3.6239 3.7098 7.8505 8.1943 9.5214 9.8984 10.3542 10.7238 11.9881 12.0182 12.1785 12.3315 k = 0.3251 0.2279 0.3471 ( 4108 PWs) bands (ev): -15.8646 -15.8632 -15.2364 -15.2251 -14.5840 -14.5793 -14.1511 -14.1487 -13.7931 -13.7912 -13.5784 -13.5719 -5.9612 -5.9444 -4.4927 -4.4847 -2.9614 -2.9328 -2.8484 -2.8297 -1.9219 -1.8951 -1.3491 -1.2822 -0.7156 -0.5780 -0.1437 -0.1309 0.1485 0.2757 0.6921 0.7102 1.1393 1.1651 1.4423 1.5272 1.7819 1.8158 2.2111 2.2331 2.4978 2.6320 2.9087 2.9454 3.1202 3.1322 3.3812 3.4118 3.6385 3.7286 7.8596 8.1941 9.5348 9.8950 10.3679 10.7292 12.0154 12.0473 12.1769 12.3308 k = 0.3363 0.2358 0.3471 ( 4102 PWs) bands (ev): -15.8357 -15.8342 -15.2260 -15.2150 -14.6187 -14.6141 -14.1547 -14.1523 -13.7973 -13.7952 -13.5842 -13.5774 -5.9895 -5.9734 -4.4644 -4.4566 -2.9689 -2.9419 -2.8509 -2.8323 -1.8680 -1.8427 -1.3307 -1.2630 -0.7076 -0.5675 -0.1673 -0.1537 0.1360 0.2653 0.6522 0.6682 1.1276 1.1497 1.4150 1.4918 1.7732 1.8112 2.2030 2.2255 2.5331 2.6597 2.9257 2.9612 3.1217 3.1313 3.3909 3.4179 3.6532 3.7469 7.8679 8.1913 9.5483 9.8906 10.3837 10.7339 12.0405 12.0746 12.1753 12.3296 k = 0.3475 0.2437 0.3471 ( 4108 PWs) bands (ev): -15.8064 -15.8049 -15.2163 -15.2057 -14.6531 -14.6486 -14.1576 -14.1551 -13.8019 -13.7995 -13.5900 -13.5830 -6.0168 -6.0014 -4.4359 -4.4285 -2.9774 -2.9519 -2.8529 -2.8345 -1.8144 -1.7907 -1.3112 -1.2430 -0.6987 -0.5560 -0.1945 -0.1774 0.1228 0.2530 0.6123 0.6271 1.1188 1.1372 1.3845 1.4532 1.7660 1.8081 2.1964 2.2189 2.5691 2.6873 2.9422 2.9762 3.1221 3.1293 3.4013 3.4246 3.6680 3.7648 7.8756 8.1858 9.5618 9.8854 10.4015 10.7379 12.0632 12.0995 12.1741 12.3281 k = 0.3587 0.2515 0.3471 ( 4113 PWs) bands (ev): -15.7768 -15.7752 -15.2074 -15.1975 -14.6869 -14.6826 -14.1597 -14.1571 -13.8067 -13.8041 -13.5959 -13.5888 -6.0427 -6.0280 -4.4074 -4.4005 -2.9867 -2.9626 -2.8543 -2.8360 -1.7617 -1.7396 -1.2908 -1.2225 -0.6893 -0.5438 -0.2251 -0.2019 0.1084 0.2380 0.5748 0.5890 1.1112 1.1260 1.3520 1.4131 1.7603 1.8062 2.1916 2.2138 2.6051 2.7144 2.9577 2.9904 3.1215 3.1265 3.4120 3.4316 3.6830 3.7819 7.8827 8.1779 9.5752 9.8793 10.4209 10.7413 12.0829 12.1206 12.1747 12.3267 k = 0.3700 0.2594 0.3471 ( 4115 PWs) bands (ev): -15.7469 -15.7453 -15.1996 -15.1904 -14.7197 -14.7158 -14.1611 -14.1583 -13.8117 -13.8088 -13.6019 -13.5947 -6.0672 -6.0533 -4.3790 -4.3727 -2.9969 -2.9739 -2.8549 -2.8366 -1.7104 -1.6900 -1.2700 -1.2021 -0.6792 -0.5309 -0.2584 -0.2274 0.0922 0.2192 0.5422 0.5558 1.1032 1.1143 1.3190 1.3734 1.7558 1.8053 2.1887 2.2104 2.6403 2.7407 2.9721 3.0034 3.1200 3.1231 3.4225 3.4388 3.6983 3.7984 7.8894 8.1677 9.5885 9.8723 10.4420 10.7439 12.0990 12.1351 12.1799 12.3258 k = 0.3812 0.2672 0.3471 ( 4117 PWs) bands (ev): -15.7170 -15.7154 -15.1930 -15.1847 -14.7512 -14.7478 -14.1617 -14.1587 -13.8170 -13.8138 -13.6078 -13.6007 -6.0902 -6.0771 -4.3509 -4.3453 -3.0076 -2.9857 -2.8542 -2.8362 -1.6609 -1.6423 -1.2492 -1.1821 -0.6688 -0.5173 -0.2939 -0.2538 0.0738 0.1959 0.5160 0.5290 1.0928 1.1002 1.2876 1.3360 1.7527 1.8052 2.1877 2.2087 2.6741 2.7657 2.9850 3.0153 3.1176 3.1196 3.4326 3.4458 3.7140 3.8141 7.8958 8.1554 9.6016 9.8644 10.4643 10.7458 12.1109 12.1413 12.1915 12.3257 k = 0.3924 0.2751 0.3471 ( 4115 PWs) bands (ev): -15.6873 -15.6856 -15.1879 -15.1806 -14.7809 -14.7782 -14.1617 -14.1583 -13.8225 -13.8189 -13.6137 -13.6067 -6.1116 -6.0993 -4.3233 -4.3186 -3.0188 -2.9979 -2.8523 -2.8345 -1.6140 -1.5971 -1.2288 -1.1630 -0.6579 -0.5031 -0.3309 -0.2808 0.0529 0.1679 0.4973 0.5095 1.0778 1.0819 1.2602 1.3030 1.7510 1.8060 2.1887 2.2088 2.7060 2.7891 2.9965 3.0258 3.1142 3.1163 3.4418 3.4524 3.7301 3.8288 7.9020 8.1411 9.6146 9.8556 10.4876 10.7468 12.1177 12.1425 12.2069 12.3269 k = 0.4036 0.2830 0.3471 ( 4117 PWs) bands (ev): -15.6580 -15.6563 -15.1844 -15.1784 -14.8085 -14.8065 -14.1609 -14.1572 -13.8281 -13.8243 -13.6196 -13.6127 -6.1313 -6.1199 -4.2965 -4.2928 -3.0304 -3.0104 -2.8490 -2.8314 -1.5701 -1.5553 -1.2090 -1.1453 -0.6467 -0.4885 -0.3686 -0.3081 0.0296 0.1360 0.4858 0.4978 1.0563 1.0578 1.2389 1.2763 1.7507 1.8078 2.1916 2.2108 2.7356 2.8106 3.0062 3.0350 3.1104 3.1130 3.4498 3.4583 3.7466 3.8424 7.9082 8.1252 9.6275 9.8460 10.5116 10.7469 12.1190 12.1420 12.2230 12.3296 k = 0.4148 0.2908 0.3471 ( 4115 PWs) bands (ev): -15.6296 -15.6279 -15.1827 -15.1782 -14.8333 -14.8322 -14.1594 -14.1554 -13.8339 -13.8298 -13.6253 -13.6187 -6.1493 -6.1387 -4.2706 -4.2681 -3.0422 -3.0229 -2.8440 -2.8268 -1.5302 -1.5174 -1.1903 -1.1293 -0.6352 -0.4736 -0.4056 -0.3353 0.0041 0.1012 0.4811 0.4938 1.0273 1.0279 1.2247 1.2569 1.7521 1.8106 2.1963 2.2144 2.7627 2.8300 3.0141 3.0429 3.1067 3.1095 3.4563 3.4633 3.7636 3.8550 7.9144 8.1079 9.6403 9.8356 10.5360 10.7460 12.1158 12.1400 12.2383 12.3341 k = 0.4260 0.2987 0.3471 ( 4121 PWs) bands (ev): -15.6025 -15.6007 -15.1828 -15.1799 -14.8554 -14.8546 -14.1573 -14.1529 -13.8398 -13.8354 -13.6308 -13.6246 -6.1654 -6.1556 -4.2461 -4.2448 -3.0539 -3.0354 -2.8374 -2.8204 -1.4950 -1.4842 -1.1730 -1.1156 -0.6235 -0.4618 -0.4378 -0.3620 -0.0229 0.0647 0.4825 0.4966 0.9920 0.9932 1.2167 1.2442 1.7552 1.8147 2.2026 2.2198 2.7869 2.8470 3.0201 3.0494 3.1034 3.1059 3.4610 3.4670 3.7809 3.8663 7.9208 8.0894 9.6530 9.8246 10.5605 10.7440 12.1098 12.1357 12.2526 12.3401 k = 0.4372 0.3065 0.3471 ( 4130 PWs) bands (ev): -15.5774 -15.5757 -15.1844 -15.1831 -14.8746 -14.8730 -14.1545 -14.1498 -13.8457 -13.8411 -13.6362 -13.6303 -6.1797 -6.1707 -4.2234 -4.2229 -3.0654 -3.0476 -2.8290 -2.8123 -1.4654 -1.4566 -1.1574 -1.1046 -0.6119 -0.4803 -0.4364 -0.3876 -0.0510 0.0278 0.4897 0.5052 0.9530 0.9544 1.2136 1.2370 1.7601 1.8202 2.2104 2.2266 2.8082 2.8614 3.0242 3.0546 3.1004 3.1023 3.4638 3.4693 3.7984 3.8763 7.9272 8.0701 9.6656 9.8132 10.5846 10.7408 12.1020 12.1286 12.2658 12.3473 k = 0.4484 0.3144 0.3471 ( 4136 PWs) bands (ev): -15.5552 -15.5536 -15.1872 -15.1866 -14.8904 -14.8876 -14.1511 -14.1461 -13.8517 -13.8470 -13.6413 -13.6360 -6.1920 -6.1838 -4.2036 -4.2020 -3.0766 -3.0594 -2.8187 -2.8021 -1.4422 -1.4351 -1.1437 -1.0967 -0.6012 -0.5083 -0.4203 -0.4117 -0.0794 -0.0088 0.5021 0.5189 0.9119 0.9134 1.2141 1.2339 1.7672 1.8273 2.2195 2.2349 2.8264 2.8732 3.0264 3.0585 3.0974 3.0990 3.4644 3.4700 3.8160 3.8849 7.9338 8.0505 9.6779 9.8016 10.6080 10.7363 12.0928 12.1190 12.2779 12.3552 k = 0.4596 0.3223 0.3471 ( 4142 PWs) bands (ev): -15.5370 -15.5357 -15.1906 -15.1887 -14.9025 -14.8987 -14.1472 -14.1419 -13.8577 -13.8528 -13.6461 -13.6414 -6.2022 -6.1948 -4.1862 -4.1832 -3.0873 -3.0706 -2.8065 -2.7898 -1.4262 -1.4203 -1.1320 -1.0922 -0.5940 -0.5294 -0.4342 -0.4024 -0.1076 -0.0442 0.5192 0.5370 0.8699 0.8717 1.2173 1.2340 1.7764 1.8361 2.2298 2.2445 2.8415 2.8821 3.0270 3.0610 3.0939 3.0966 3.4628 3.4689 3.8332 3.8919 7.9403 8.0313 9.6896 9.7903 10.6305 10.7304 12.0825 12.1072 12.2889 12.3634 k = 0.5000 0.3506-0.1697 ( 4114 PWs) bands (ev): -15.4951 -15.4951 -15.2316 -15.2316 -14.9020 -14.9020 -14.1148 -14.1148 -13.8940 -13.8940 -13.6278 -13.6278 -6.3789 -6.3789 -3.8585 -3.8585 -2.9903 -2.9903 -2.8636 -2.8636 -1.5613 -1.5613 -0.9642 -0.9642 -0.6426 -0.6426 -0.5527 -0.5527 -0.2568 -0.2568 0.6539 0.6539 0.9009 0.9009 1.3133 1.3133 1.7359 1.7359 2.2645 2.2645 2.8117 2.8117 2.9723 2.9723 3.1230 3.1230 3.5708 3.5708 3.8773 3.8773 7.9604 7.9604 9.7259 9.7259 10.7581 10.7581 12.0887 12.0887 12.3797 12.3797 k = 0.5078 0.3394-0.1697 ( 4120 PWs) bands (ev): -15.4963 -15.4962 -15.2317 -15.2313 -14.9010 -14.9009 -14.1148 -14.1146 -13.8942 -13.8941 -13.6279 -13.6275 -6.3783 -6.3782 -3.8603 -3.8602 -2.9905 -2.9905 -2.8622 -2.8622 -1.5673 -1.5599 -0.9773 -0.9519 -0.6582 -0.6259 -0.5528 -0.5525 -0.2560 -0.2550 0.6542 0.6543 0.8995 0.9011 1.3147 1.3154 1.7358 1.7364 2.2651 2.2652 2.8100 2.8130 2.9705 2.9746 3.1225 3.1228 3.5700 3.5709 3.8766 3.8768 7.9532 7.9689 9.7258 9.7264 10.7525 10.7613 12.0846 12.0922 12.3772 12.3774 k = 0.5157 0.3282-0.1697 ( 4118 PWs) bands (ev): -15.4996 -15.4995 -15.2314 -15.2306 -14.8982 -14.8980 -14.1145 -14.1141 -13.8946 -13.8944 -13.6278 -13.6271 -6.3764 -6.3763 -3.8655 -3.8654 -2.9912 -2.9911 -2.8580 -2.8580 -1.5777 -1.5630 -0.9908 -0.9411 -0.6716 -0.6105 -0.5527 -0.5509 -0.2527 -0.2506 0.6553 0.6556 0.8969 0.9001 1.3194 1.3209 1.7362 1.7375 2.2671 2.2673 2.8081 2.8139 2.9693 2.9772 3.1211 3.1217 3.5685 3.5701 3.8748 3.8752 7.9473 7.9788 9.7262 9.7275 10.7448 10.7623 12.0799 12.0951 12.3702 12.3706 k = 0.5235 0.3170-0.1697 ( 4116 PWs) bands (ev): -15.5050 -15.5049 -15.2308 -15.2296 -14.8936 -14.8933 -14.1140 -14.1133 -13.8952 -13.8950 -13.6276 -13.6265 -6.3732 -6.3731 -3.8740 -3.8738 -2.9924 -2.9922 -2.8511 -2.8511 -1.5922 -1.5706 -1.0046 -0.9326 -0.6820 -0.6008 -0.5531 -0.5429 -0.2468 -0.2438 0.6572 0.6576 0.8934 0.8982 1.3274 1.3299 1.7372 1.7390 2.2704 2.2707 2.8058 2.8143 2.9687 2.9801 3.1190 3.1197 3.5662 3.5687 3.8718 3.8723 7.9425 7.9899 9.7270 9.7290 10.7351 10.7608 12.0746 12.0974 12.3586 12.3594 k = 0.5314 0.3058-0.1697 ( 4112 PWs) bands (ev): -15.5125 -15.5123 -15.2299 -15.2283 -14.8872 -14.8868 -14.1132 -14.1123 -13.8961 -13.8958 -13.6271 -13.6257 -6.3687 -6.3686 -3.8857 -3.8854 -2.9940 -2.9938 -2.8417 -2.8416 -1.6106 -1.5824 -1.0186 -0.9273 -0.6893 -0.5997 -0.5532 -0.5263 -0.2385 -0.2347 0.6598 0.6603 0.8893 0.8954 1.3383 1.3419 1.7387 1.7411 2.2750 2.2754 2.8032 2.8141 2.9687 2.9834 3.1160 3.1170 3.5631 3.5664 3.8676 3.8683 7.9389 8.0024 9.7281 9.7312 10.7236 10.7569 12.0689 12.0991 12.3428 12.3440 k = 0.5392 0.2946-0.1697 ( 4112 PWs) bands (ev): -15.5219 -15.5216 -15.2288 -15.2267 -14.8792 -14.8787 -14.1121 -14.1110 -13.8972 -13.8968 -13.6265 -13.6248 -6.3630 -6.3629 -3.9002 -3.8999 -2.9961 -2.9958 -2.8299 -2.8299 -1.6323 -1.5980 -1.0330 -0.9260 -0.6936 -0.6050 -0.5520 -0.5033 -0.2280 -0.2233 0.6632 0.6639 0.8849 0.8921 1.3518 1.3566 1.7408 1.7439 2.2808 2.2813 2.8004 2.8131 2.9695 2.9870 3.1122 3.1135 3.5594 3.5635 3.8622 3.8631 7.9363 8.0162 9.7296 9.7338 10.7104 10.7506 12.0626 12.1000 12.3231 12.3249 k = 0.5470 0.2835-0.1697 ( 4106 PWs) bands (ev): -15.5329 -15.5327 -15.2273 -15.2249 -14.8697 -14.8692 -14.1108 -14.1095 -13.8985 -13.8980 -13.6257 -13.6236 -6.3561 -6.3559 -3.9173 -3.9170 -2.9986 -2.9982 -2.8161 -2.8160 -1.6569 -1.6171 -1.0479 -0.9291 -0.6962 -0.6141 -0.5485 -0.4768 -0.2154 -0.2100 0.6673 0.6683 0.8804 0.8887 1.3674 1.3738 1.7436 1.7472 2.2877 2.2884 2.7971 2.8114 2.9711 2.9907 3.1076 3.1092 3.5549 3.5598 3.8556 3.8568 7.9345 8.0313 9.7313 9.7371 10.6957 10.7419 12.0558 12.1003 12.3000 12.3026 k = 0.5549 0.2723-0.1697 ( 4108 PWs) bands (ev): -15.5456 -15.5453 -15.2255 -15.2227 -14.8590 -14.8583 -14.1092 -14.1077 -13.9001 -13.8995 -13.6247 -13.6223 -6.3479 -6.3477 -3.9368 -3.9364 -3.0015 -3.0011 -2.8005 -2.8004 -1.6841 -1.6393 -1.0634 -0.9363 -0.6986 -0.6257 -0.5413 -0.4481 -0.2008 -0.1949 0.6722 0.6735 0.8762 0.8854 1.3850 1.3931 1.7470 1.7512 2.2957 2.2965 2.7935 2.8087 2.9735 2.9947 3.1023 3.1042 3.5498 3.5554 3.8479 3.8492 7.9336 8.0475 9.7333 9.7410 10.6798 10.7311 12.0485 12.0997 12.2741 12.2775 k = 0.5627 0.2611-0.1697 ( 4108 PWs) bands (ev): -15.5597 -15.5594 -15.2235 -15.2203 -14.8471 -14.8464 -14.1074 -14.1057 -13.9018 -13.9011 -13.6235 -13.6208 -6.3385 -6.3383 -3.9582 -3.9577 -3.0049 -3.0044 -2.7834 -2.7833 -1.7134 -1.6642 -1.0796 -0.9471 -0.7025 -0.6391 -0.5296 -0.4180 -0.1845 -0.1782 0.6779 0.6795 0.8725 0.8825 1.4041 1.4142 1.7512 1.7560 2.3047 2.3057 2.7894 2.8050 2.9766 2.9987 3.0963 3.0984 3.5440 3.5503 3.8391 3.8406 7.9333 8.0649 9.7355 9.7455 10.6630 10.7181 12.0406 12.0983 12.2458 12.2502 k = 0.5706 0.2499-0.1697 ( 4108 PWs) bands (ev): -15.5751 -15.5747 -15.2212 -15.2176 -14.8342 -14.8334 -14.1053 -14.1035 -13.9037 -13.9030 -13.6221 -13.6191 -6.3280 -6.3277 -3.9813 -3.9808 -3.0086 -3.0081 -2.7651 -2.7649 -1.7444 -1.6913 -1.0966 -0.9610 -0.7089 -0.6541 -0.5131 -0.3870 -0.1666 -0.1601 0.6844 0.6864 0.8696 0.8803 1.4246 1.4367 1.7562 1.7616 2.3146 2.3157 2.7848 2.8004 2.9805 3.0028 3.0895 3.0920 3.5377 3.5446 3.8290 3.8307 7.9335 8.0833 9.7377 9.7506 10.6454 10.7031 12.0320 12.0957 12.2160 12.2215 k = 0.5784 0.2387-0.1697 ( 4106 PWs) bands (ev): -15.5915 -15.5912 -15.2186 -15.2146 -14.8204 -14.8196 -14.1030 -14.1010 -13.9058 -13.9050 -13.6206 -13.6173 -6.3163 -6.3160 -4.0058 -4.0053 -3.0127 -3.0122 -2.7457 -2.7454 -1.7769 -1.7204 -1.1144 -0.9772 -0.7181 -0.6703 -0.4923 -0.3551 -0.1475 -0.1408 0.6917 0.6942 0.8676 0.8789 1.4460 1.4605 1.7621 1.7680 2.3253 2.3265 2.7796 2.7947 2.9848 3.0067 3.0821 3.0850 3.5308 3.5383 3.8179 3.8198 7.9341 8.1026 9.7401 9.7563 10.6275 10.6865 12.0227 12.0916 12.1855 12.1918 k = 0.5863 0.2275-0.1697 ( 4116 PWs) bands (ev): -15.6090 -15.6087 -15.2158 -15.2114 -14.8060 -14.8051 -14.1004 -14.0983 -13.9080 -13.9071 -13.6188 -13.6152 -6.3035 -6.3031 -4.0314 -4.0309 -3.0172 -3.0166 -2.7255 -2.7252 -1.8105 -1.7511 -1.1331 -0.9954 -0.7298 -0.6877 -0.4680 -0.3229 -0.1273 -0.1206 0.6999 0.7029 0.8667 0.8785 1.4684 1.4852 1.7689 1.7754 2.3367 2.3380 2.7738 2.7881 2.9896 3.0103 3.0742 3.0775 3.5234 3.5314 3.8056 3.8077 7.9348 8.1226 9.7423 9.7625 10.6095 10.6683 12.0123 12.0849 12.1559 12.1620 k = 0.5941 0.2164-0.1697 ( 4112 PWs) bands (ev): -15.6273 -15.6270 -15.2127 -15.2080 -14.7910 -14.7901 -14.0976 -14.0954 -13.9103 -13.9094 -13.6168 -13.6130 -6.2895 -6.2892 -4.0579 -4.0574 -3.0220 -3.0213 -2.7047 -2.7043 -1.8449 -1.7831 -1.1526 -1.0152 -0.7436 -0.7060 -0.4411 -0.2903 -0.1063 -0.0998 0.7090 0.7127 0.8670 0.8793 1.4914 1.5108 1.7766 1.7836 2.3487 2.3502 2.7675 2.7806 2.9943 3.0134 3.0660 3.0699 3.5155 3.5240 3.7921 3.7945 7.9356 8.1433 9.7445 9.7693 10.5918 10.6490 12.0005 12.0731 12.1302 12.1328 k = 0.6019 0.2052-0.1697 ( 4112 PWs) bands (ev): -15.6464 -15.6461 -15.2095 -15.2044 -14.7755 -14.7746 -14.0946 -14.0922 -13.9128 -13.9117 -13.6146 -13.6105 -6.2745 -6.2741 -4.0851 -4.0846 -3.0271 -3.0264 -2.6835 -2.6831 -1.8801 -1.8161 -1.1729 -1.0363 -0.7590 -0.7250 -0.4122 -0.2577 -0.0848 -0.0785 0.7191 0.7235 0.8686 0.8813 1.5149 1.5368 1.7853 1.7928 2.3612 2.3628 2.7604 2.7722 2.9987 3.0153 3.0576 3.0626 3.5073 3.5161 3.7776 3.7802 7.9362 8.1645 9.7464 9.7764 10.5747 10.6288 11.9868 12.0530 12.1053 12.1118 k = 0.6098 0.1940-0.1697 ( 4112 PWs) bands (ev): -15.6662 -15.6658 -15.2060 -15.2006 -14.7597 -14.7587 -14.0914 -14.0889 -13.9153 -13.9142 -13.6123 -13.6079 -6.2584 -6.2580 -4.1128 -4.1123 -3.0326 -3.0317 -2.6620 -2.6616 -1.9157 -1.8498 -1.1939 -1.0584 -0.7758 -0.7447 -0.3821 -0.2251 -0.0631 -0.0572 0.7303 0.7356 0.8714 0.8845 1.5388 1.5633 1.7949 1.8030 2.3742 2.3759 2.7527 2.7630 3.0020 3.0151 3.0498 3.0563 3.4988 3.5078 3.7620 3.7648 7.9365 8.1859 9.7479 9.7838 10.5587 10.6082 11.9706 12.0257 12.0803 12.1002 k = 0.6176 0.1828-0.1697 ( 4110 PWs) bands (ev): -15.6865 -15.6861 -15.2024 -15.1966 -14.7436 -14.7425 -14.0879 -14.0854 -13.9179 -13.9167 -13.6096 -13.6051 -6.2413 -6.2409 -4.1407 -4.1403 -3.0383 -3.0374 -2.6404 -2.6399 -1.9515 -1.8841 -1.2155 -1.0813 -0.7936 -0.7648 -0.3510 -0.1927 -0.0415 -0.0361 0.7427 0.7489 0.8756 0.8890 1.5629 1.5901 1.8055 1.8141 2.3875 2.3894 2.7443 2.7530 3.0028 3.0120 3.0438 3.0521 3.4901 3.4992 3.7453 3.7484 7.9363 8.2074 9.7489 9.7913 10.5441 10.5874 11.9515 11.9951 12.0587 12.0917 k = 0.3824-0.5454 0.0000 ( 4110 PWs) bands (ev): -15.6865 -15.6861 -15.2024 -15.1966 -14.7436 -14.7425 -14.0879 -14.0854 -13.9179 -13.9167 -13.6096 -13.6051 -6.2413 -6.2409 -4.1407 -4.1403 -3.0383 -3.0374 -2.6404 -2.6399 -1.9515 -1.8841 -1.2155 -1.0813 -0.7936 -0.7648 -0.3510 -0.1927 -0.0415 -0.0361 0.7427 0.7489 0.8756 0.8890 1.5629 1.5901 1.8055 1.8141 2.3875 2.3894 2.7443 2.7530 3.0028 3.0120 3.0438 3.0521 3.4901 3.4992 3.7453 3.7484 7.9363 8.2074 9.7489 9.7913 10.5441 10.5874 11.9515 11.9951 12.0587 12.0917 k = 0.3746-0.5343 0.0000 ( 4104 PWs) bands (ev): -15.7072 -15.7068 -15.1986 -15.1925 -14.7273 -14.7263 -14.0843 -14.0817 -13.9205 -13.9192 -13.6068 -13.6021 -6.2234 -6.2229 -4.1687 -4.1682 -3.0444 -3.0432 -2.6190 -2.6184 -1.9874 -1.9187 -1.2375 -1.1047 -0.8120 -0.7852 -0.3196 -0.1608 -0.0203 -0.0156 0.7563 0.7635 0.8810 0.8947 1.5871 1.6168 1.8170 1.8261 2.4010 2.4030 2.7353 2.7424 2.9998 3.0055 3.0407 3.0501 3.4812 3.4904 3.7277 3.7310 7.9355 8.2287 9.7493 9.7987 10.5315 10.5671 11.9296 11.9635 12.0406 12.0843 k = 0.3668-0.5231 0.0000 ( 4100 PWs) bands (ev): -15.7282 -15.7279 -15.1947 -15.1883 -14.7110 -14.7100 -14.0804 -14.0778 -13.9231 -13.9217 -13.6038 -13.5989 -6.2045 -6.2039 -4.1966 -4.1962 -3.0507 -3.0494 -2.5977 -2.5970 -2.0232 -1.9533 -1.2598 -1.1286 -0.8308 -0.8056 -0.2879 -0.1294 0.0001 0.0042 0.7713 0.7797 0.8878 0.9017 1.6113 1.6436 1.8293 1.8389 2.4147 2.4168 2.7256 2.7311 2.9927 2.9963 3.0407 3.0497 3.4723 3.4814 3.7090 3.7127 7.9340 8.2497 9.7488 9.8057 10.5213 10.5474 11.9056 11.9321 12.0256 12.0770 k = 0.3590-0.5120 0.0000 ( 4098 PWs) bands (ev): -15.7497 -15.7493 -15.1906 -15.1839 -14.6947 -14.6936 -14.0764 -14.0737 -13.9256 -13.9242 -13.6006 -13.5954 -6.1847 -6.1841 -4.2245 -4.2241 -3.0573 -3.0558 -2.5766 -2.5759 -2.0588 -1.9880 -1.2824 -1.1528 -0.8498 -0.8259 -0.2563 -0.0986 0.0196 0.0229 0.7876 0.7973 0.8958 0.9099 1.6356 1.6702 1.8425 1.8526 2.4285 2.4306 2.7153 2.7193 2.9828 2.9854 3.0425 3.0499 3.4635 3.4723 3.6894 3.6934 7.9318 8.2702 9.7473 9.8120 10.5138 10.5289 11.8803 11.9012 12.0130 12.0695 k = 0.3512-0.5009 0.0000 ( 4098 PWs) bands (ev): -15.7714 -15.7710 -15.1865 -15.1794 -14.6785 -14.6773 -14.0722 -14.0695 -13.9281 -13.9266 -13.5971 -13.5918 -6.1641 -6.1635 -4.2521 -4.2517 -3.0642 -3.0625 -2.5559 -2.5552 -2.0942 -2.0226 -1.3050 -1.1770 -0.8687 -0.8461 -0.2250 -0.0684 0.0379 0.0404 0.8054 0.8165 0.9051 0.9192 1.6597 1.6966 1.8565 1.8670 2.4423 2.4445 2.7043 2.7069 2.9712 2.9732 3.0447 3.0500 3.4547 3.4632 3.6689 3.6732 7.9286 8.2900 9.7447 9.8174 10.5095 10.5118 11.8545 11.8712 12.0022 12.0617 k = 0.3434-0.4897 0.0000 ( 4104 PWs) bands (ev): -15.7933 -15.7930 -15.1822 -15.1749 -14.6623 -14.6612 -14.0678 -14.0651 -13.9304 -13.9289 -13.5934 -13.5881 -6.1426 -6.1420 -4.2793 -4.2791 -3.0715 -3.0695 -2.5358 -2.5349 -2.1291 -2.0569 -1.3275 -1.2013 -0.8874 -0.8657 -0.1940 -0.0391 0.0547 0.0564 0.8245 0.8373 0.9157 0.9297 1.6837 1.7226 1.8712 1.8821 2.4561 2.4583 2.6927 2.6941 2.9586 2.9603 3.0467 3.0496 3.4462 3.4542 3.6475 3.6522 7.9245 8.3089 9.7408 9.8215 10.4966 10.5089 11.8287 11.8422 11.9927 12.0534 k = 0.3356-0.4786 0.0000 ( 4108 PWs) bands (ev): -15.8153 -15.8150 -15.1779 -15.1703 -14.6464 -14.6452 -14.0632 -14.0605 -13.9326 -13.9311 -13.5895 -13.5841 -6.1204 -6.1197 -4.3062 -4.3060 -3.0791 -3.0768 -2.5162 -2.5153 -2.1636 -2.0908 -1.3498 -1.2253 -0.9055 -0.8848 -0.1636 -0.0108 0.0700 0.0707 0.8449 0.8597 0.9277 0.9412 1.7075 1.7483 1.8865 1.8978 2.4697 2.4720 2.6806 2.6808 2.9454 2.9468 3.0480 3.0484 3.4380 3.4454 3.6253 3.6303 7.9195 8.3267 9.7355 9.8241 10.4835 10.5120 11.8034 11.8143 11.9843 12.0446 k = 0.3278-0.4675 0.0000 ( 4106 PWs) bands (ev): -15.8375 -15.8372 -15.1735 -15.1657 -14.6307 -14.6295 -14.0584 -14.0558 -13.9346 -13.9331 -13.5854 -13.5799 -6.0975 -6.0968 -4.3325 -4.3324 -3.0872 -3.0845 -2.4974 -2.4964 -2.1975 -2.1242 -1.3718 -1.2490 -0.9229 -0.9030 -0.1339 0.0163 0.0833 0.0837 0.8662 0.8834 0.9412 0.9539 1.7311 1.7733 1.9024 1.9139 2.4830 2.4853 2.6672 2.6679 2.9318 2.9330 3.0464 3.0483 3.4302 3.4369 3.6023 3.6078 7.9137 8.3433 9.7287 9.8251 10.4727 10.5192 11.7788 11.7875 11.9768 12.0353 k = 0.3200-0.4563 0.0000 ( 4116 PWs) bands (ev): -15.8597 -15.8595 -15.1691 -15.1611 -14.6153 -14.6141 -14.0535 -14.0510 -13.9364 -13.9348 -13.5811 -13.5755 -6.0739 -6.0731 -4.3583 -4.3583 -3.0956 -3.0925 -2.4795 -2.4784 -2.2306 -2.1569 -1.3931 -1.2721 -0.9394 -0.9202 -0.1051 0.0418 0.0942 0.0961 0.8879 0.9081 0.9565 0.9679 1.7543 1.7977 1.9186 1.9303 2.4959 2.4983 2.6532 2.6549 2.9180 2.9189 3.0434 3.0475 3.4228 3.4288 3.5787 3.5846 7.9069 8.3585 9.7204 9.8244 10.4643 10.5305 11.7549 11.7619 11.9703 12.0256 k = 0.3121-0.4452 0.0000 ( 4120 PWs) bands (ev): -15.8820 -15.8818 -15.1647 -15.1564 -14.6003 -14.5990 -14.0484 -14.0460 -13.9380 -13.9363 -13.5766 -13.5710 -6.0496 -6.0488 -4.3835 -4.3835 -3.1044 -3.1009 -2.4627 -2.4614 -2.2629 -2.1890 -1.4139 -1.2945 -0.9547 -0.9361 -0.0774 0.0650 0.1033 0.1078 0.9095 0.9333 0.9741 0.9835 1.7772 1.8214 1.9352 1.9470 2.5080 2.5107 2.6391 2.6416 2.9043 2.9049 3.0392 3.0454 3.4159 3.4212 3.5544 3.5608 7.8994 8.3722 9.7107 9.8219 10.4583 10.5456 11.7318 11.7373 11.9647 12.0154 k = 0.3043-0.4341 0.0000 ( 4120 PWs) bands (ev): -15.9043 -15.9040 -15.1603 -15.1518 -14.5857 -14.5844 -14.0432 -14.0409 -13.9392 -13.9375 -13.5719 -13.5663 -6.0248 -6.0239 -4.4081 -4.4080 -3.1137 -3.1098 -2.4470 -2.4456 -2.2943 -2.2203 -1.4337 -1.3161 -0.9685 -0.9505 -0.0509 0.0842 0.1109 0.1203 0.9302 0.9580 0.9945 1.0013 1.7996 1.8442 1.9519 1.9638 2.5192 2.5222 2.6250 2.6282 2.8907 2.8911 3.0340 3.0419 3.4095 3.4140 3.5296 3.5365 7.8913 8.3844 9.6997 9.8178 10.4546 10.5643 11.7095 11.7137 11.9601 12.0048 k = 0.2965-0.4230 0.0000 ( 4114 PWs) bands (ev): -15.9264 -15.9262 -15.1560 -15.1473 -14.5716 -14.5703 -14.0379 -14.0356 -13.9401 -13.9384 -13.5670 -13.5614 -5.9994 -5.9984 -4.4320 -4.4318 -3.1236 -3.1191 -2.4328 -2.4311 -2.3245 -2.2507 -1.4526 -1.3367 -0.9807 -0.9632 -0.0258 0.0974 0.1170 0.1357 0.9495 0.9809 1.0178 1.0226 1.8216 1.8660 1.9688 1.9806 2.5288 2.5324 2.6112 2.6153 2.8776 2.8776 3.0276 3.0369 3.4037 3.4075 3.5044 3.5118 7.8826 8.3949 9.6875 9.8123 10.4530 10.5863 11.6880 11.6911 11.9566 11.9940 k = 0.2887-0.4118 0.0000 ( 4114 PWs) bands (ev): -15.9485 -15.9483 -15.1516 -15.1428 -14.5580 -14.5567 -14.0324 -14.0302 -13.9406 -13.9389 -13.5620 -13.5563 -5.9735 -5.9725 -4.4551 -4.4548 -3.1339 -3.1290 -2.4205 -2.4180 -2.3534 -2.2802 -1.4703 -1.3562 -0.9909 -0.9740 -0.0026 0.1049 0.1222 0.1538 0.9674 1.0013 1.0438 1.0476 1.8430 1.8868 1.9855 1.9972 2.5359 2.5406 2.5982 2.6037 2.8648 2.8651 3.0201 3.0305 3.3984 3.4014 3.4788 3.4869 7.8735 8.4038 9.6744 9.8056 10.4532 10.6108 11.6670 11.6692 11.9544 11.9830 k = 0.2809-0.4007 0.0000 ( 4118 PWs) bands (ev): -15.9705 -15.9703 -15.1474 -15.1383 -14.5450 -14.5437 -14.0267 -14.0248 -13.9406 -13.9389 -13.5567 -13.5511 -5.9472 -5.9461 -4.4774 -4.4770 -3.1448 -3.1394 -2.4118 -2.4067 -2.3793 -2.3087 -1.4868 -1.3744 -0.9990 -0.9826 0.0184 0.1083 0.1268 0.1728 0.9841 1.0194 1.0718 1.0756 1.8637 1.9063 2.0021 2.0135 2.5388 2.5450 2.5878 2.5948 2.8529 2.8536 3.0116 3.0227 3.3936 3.3958 3.4531 3.4618 7.8642 8.4111 9.6608 9.7980 10.4547 10.6374 11.6467 11.6480 11.9534 11.9719 k = 0.2731-0.3896 0.0000 ( 4124 PWs) bands (ev): -15.9923 -15.9921 -15.1432 -15.1340 -14.5327 -14.5313 -14.0210 -14.0192 -13.9402 -13.9385 -13.5514 -13.5458 -5.9204 -5.9194 -4.4989 -4.4984 -3.1562 -3.1504 -2.4179 -2.3972 -2.3910 -2.3361 -1.5018 -1.3911 -1.0048 -0.9888 0.0364 0.1091 0.1317 0.1915 0.9999 1.0363 1.1012 1.1054 1.8837 1.9244 2.0183 2.0294 2.5359 2.5429 2.5824 2.5903 2.8423 2.8433 3.0020 3.0135 3.3893 3.3905 3.4273 3.4370 7.8549 8.4168 9.6467 9.7897 10.4572 10.6654 11.6267 11.6274 11.9539 11.9611 k = 0.2653-0.3784 0.0000 ( 4122 PWs) bands (ev): -16.0138 -16.0137 -15.1390 -15.1298 -14.5210 -14.5196 -14.0152 -14.0135 -13.9393 -13.9376 -13.5458 -13.5403 -5.8934 -5.8923 -4.5194 -4.5189 -3.1682 -3.1619 -2.4404 -2.3900 -2.3870 -2.3621 -1.5153 -1.4064 -1.0081 -0.9926 0.0505 0.1080 0.1378 0.2093 1.0152 1.0524 1.1314 1.1361 1.9029 1.9409 2.0341 2.0447 2.5275 2.5340 2.5820 2.5894 2.8331 2.8346 2.9916 3.0031 3.3847 3.3851 3.4018 3.4132 7.8456 8.4209 9.6325 9.7811 10.4603 10.6940 11.6071 11.6073 11.9505 11.9560 k = 0.2575-0.3673 0.0000 ( 4118 PWs) bands (ev): -16.0352 -16.0350 -15.1350 -15.1257 -14.5101 -14.5086 -14.0092 -14.0077 -13.9379 -13.9362 -13.5402 -13.5348 -5.8661 -5.8649 -4.5391 -4.5384 -3.1808 -3.1740 -2.4647 -2.3920 -2.3823 -2.3801 -1.5272 -1.4200 -1.0086 -0.9936 0.0601 0.1052 0.1460 0.2259 1.0300 1.0681 1.1620 1.1670 1.9210 1.9558 2.0492 2.0593 2.5161 2.5217 2.5833 2.5899 2.8259 2.8278 2.9804 2.9915 3.3746 3.3750 3.3832 3.3940 7.8367 8.4236 9.6186 9.7724 10.4634 10.7226 11.5875 11.5876 11.9406 11.9596 k = 0.2497-0.3562 0.0000 ( 4116 PWs) bands (ev): -16.0562 -16.0561 -15.1311 -15.1218 -14.4999 -14.4984 -14.0032 -14.0019 -13.9360 -13.9343 -13.5344 -13.5291 -5.8386 -5.8374 -4.5578 -4.5571 -3.1939 -3.1868 -2.4884 -2.4141 -2.3791 -2.3790 -1.5373 -1.4319 -1.0063 -0.9917 0.0649 0.1010 0.1564 0.2412 1.0445 1.0835 1.1925 1.1978 1.9381 1.9687 2.0637 2.0731 2.5034 2.5081 2.5839 2.5899 2.8206 2.8229 2.9685 2.9789 3.3501 3.3559 3.3793 3.3847 7.8282 8.4250 9.6050 9.7637 10.4663 10.7503 11.5679 11.5683 11.9316 11.9649 k = 0.2419-0.3450 0.0000 ( 4116 PWs) bands (ev): -16.0770 -16.0768 -15.1274 -15.1180 -14.4905 -14.4890 -13.9971 -13.9959 -13.9335 -13.9318 -13.5285 -13.5234 -5.8110 -5.8097 -4.5755 -4.5747 -3.2075 -3.2000 -2.5111 -2.4374 -2.3781 -2.3780 -1.5456 -1.4420 -1.0010 -0.9870 0.0658 0.0957 0.1684 0.2551 1.0587 1.0986 1.2225 1.2279 1.9539 1.9795 2.0772 2.0859 2.4906 2.4943 2.5830 2.5884 2.8175 2.8201 2.9560 2.9655 3.3255 3.3330 3.3762 3.3801 7.8203 8.4251 9.5921 9.7554 10.4685 10.7765 11.5485 11.5489 11.9237 11.9718 k = 0.2341-0.3339 0.0000 ( 4120 PWs) bands (ev): -16.0974 -16.0973 -15.1237 -15.1143 -14.4818 -14.4803 -13.9910 -13.9900 -13.9304 -13.9288 -13.5226 -13.5175 -5.7833 -5.7820 -4.5922 -4.5912 -3.2217 -3.2139 -2.5328 -2.4599 -2.3792 -2.3791 -1.5520 -1.4502 -0.9927 -0.9792 0.0637 0.0894 0.1812 0.2675 1.0726 1.1135 1.2517 1.2572 1.9681 1.9879 2.0898 2.0977 2.4784 2.4807 2.5804 2.5851 2.8165 2.8194 2.9429 2.9513 3.3016 3.3097 3.3734 3.3765 7.8132 8.4242 9.5800 9.7476 10.4698 10.8005 11.5291 11.5295 11.9173 11.9802 k = 0.2263-0.3228 0.0000 ( 4112 PWs) bands (ev): -16.1174 -16.1173 -15.1202 -15.1108 -14.4740 -14.4724 -13.9848 -13.9839 -13.9268 -13.9252 -13.5166 -13.5117 -5.7557 -5.7543 -4.6078 -4.6067 -3.2362 -3.2282 -2.5535 -2.4815 -2.3825 -2.3824 -1.5565 -1.4566 -0.9814 -0.9684 0.0595 0.0823 0.1939 0.2784 1.0864 1.1280 1.2798 1.2853 1.9807 1.9937 2.1012 2.1084 2.4673 2.4676 2.5761 2.5800 2.8172 2.8204 2.9296 2.9366 3.2785 3.2870 3.3708 3.3735 7.8071 8.4223 9.5690 9.7404 10.4700 10.8216 11.5096 11.5100 11.9127 11.9900 k = 0.2185-0.3116 0.0000 ( 4110 PWs) bands (ev): -16.1371 -16.1370 -15.1169 -15.1075 -14.4669 -14.4654 -13.9785 -13.9778 -13.9226 -13.9211 -13.5105 -13.5058 -5.7282 -5.7268 -4.6223 -4.6211 -3.2511 -3.2429 -2.5731 -2.5023 -2.3881 -2.3879 -1.5591 -1.4610 -0.9670 -0.9546 0.0538 0.0746 0.2061 0.2878 1.0999 1.1423 1.3066 1.3120 1.9913 1.9968 2.1115 2.1179 2.4555 2.4576 2.5704 2.5732 2.8193 2.8229 2.9160 2.9214 3.2566 3.2652 3.3683 3.3706 7.8020 8.4196 9.5591 9.7341 10.4689 10.8391 11.4900 11.4904 11.9101 12.0010 k = 0.2107-0.3005 0.0000 ( 4108 PWs) bands (ev): -16.1563 -16.1562 -15.1137 -15.1044 -14.4607 -14.4591 -13.9723 -13.9717 -13.9180 -13.9165 -13.5044 -13.4998 -5.7009 -5.6994 -4.6356 -4.6343 -3.2663 -3.2581 -2.5918 -2.5223 -2.3957 -2.3955 -1.5597 -1.4635 -0.9498 -0.9380 0.0470 0.0663 0.2175 0.2957 1.1131 1.1562 1.3319 1.3370 1.9971 1.9997 2.1205 2.1262 2.4444 2.4496 2.5635 2.5651 2.8224 2.8264 2.9023 2.9060 3.2359 3.2445 3.3658 3.3678 7.7981 8.4162 9.5506 9.7287 10.4663 10.8527 11.4702 11.4705 11.9097 12.0130 k = 0.2029-0.2894 0.0000 ( 4100 PWs) bands (ev): -16.1751 -16.1750 -15.1106 -15.1015 -14.4551 -14.4536 -13.9660 -13.9656 -13.9128 -13.9113 -13.4983 -13.4939 -5.6740 -5.6724 -4.6476 -4.6463 -3.2818 -3.2735 -2.6096 -2.5415 -2.4055 -2.4051 -1.5584 -1.4641 -0.9298 -0.9186 0.0395 0.0575 0.2279 0.3021 1.1259 1.1696 1.3554 1.3602 1.9945 2.0058 2.1282 2.1331 2.4347 2.4435 2.5558 2.5560 2.8259 2.8306 2.8888 2.8904 3.2167 3.2251 3.3632 3.3650 7.7956 8.4123 9.5434 9.7243 10.4624 10.8620 11.4501 11.4505 11.9116 12.0259 k = 0.1951-0.2783 0.0000 ( 4100 PWs) bands (ev): -16.1934 -16.1933 -15.1078 -15.0987 -14.4504 -14.4488 -13.9597 -13.9595 -13.9072 -13.9058 -13.4923 -13.4880 -5.6475 -5.6459 -4.6585 -4.6570 -3.2974 -3.2891 -2.6264 -2.5600 -2.4171 -2.4167 -1.5551 -1.4629 -0.9072 -0.8965 0.0315 0.0485 0.2372 0.3070 1.1384 1.1824 1.3770 1.3814 1.9891 2.0092 2.1346 2.1388 2.4265 2.4393 2.5460 2.5475 2.8291 2.8351 2.8750 2.8760 3.1992 3.2072 3.3607 3.3621 7.7943 8.4078 9.5378 9.7211 10.4571 10.8667 11.4298 11.4301 11.9158 12.0393 k = 0.1873-0.2671 0.0000 ( 4096 PWs) bands (ev): -16.2112 -16.2111 -15.1051 -15.0961 -14.4463 -14.4447 -13.9535 -13.9534 -13.9012 -13.8998 -13.4862 -13.4822 -5.6215 -5.6199 -4.6680 -4.6664 -3.3130 -3.3049 -2.6425 -2.5778 -2.4305 -2.4301 -1.5501 -1.4599 -0.8821 -0.8720 0.0232 0.0394 0.2454 0.3105 1.1505 1.1946 1.3966 1.4005 1.9812 2.0099 2.1397 2.1432 2.4199 2.4368 2.5355 2.5389 2.8308 2.8394 2.8600 2.8648 3.1834 3.1909 3.3580 3.3592 7.7946 8.4031 9.5338 9.7192 10.4505 10.8669 11.4091 11.4095 11.9223 12.0531 k = 0.1795-0.2560 0.0000 ( 4092 PWs) bands (ev): -16.2285 -16.2284 -15.1025 -15.0938 -14.4428 -14.4412 -13.9473 -13.9473 -13.8948 -13.8935 -13.4803 -13.4764 -5.5962 -5.5945 -4.6761 -4.6745 -3.3287 -3.3207 -2.6577 -2.5949 -2.4455 -2.4450 -1.5432 -1.4552 -0.8548 -0.8453 0.0146 0.0302 0.2524 0.3127 1.1620 1.2060 1.4140 1.4174 1.9711 2.0079 2.1437 2.1465 2.4150 2.4358 2.5245 2.5300 2.8288 2.8403 2.8485 2.8575 3.1696 3.1764 3.3552 3.3561 7.7964 8.3980 9.5314 9.7185 10.4428 10.8626 11.3881 11.3887 11.9308 12.0669 k = 0.1717-0.2449 0.0000 ( 4096 PWs) bands (ev): -16.2452 -16.2451 -15.1001 -15.0916 -14.4400 -14.4384 -13.9413 -13.9412 -13.8881 -13.8869 -13.4744 -13.4707 -5.5717 -5.5700 -4.6828 -4.6811 -3.3443 -3.3364 -2.6723 -2.6114 -2.4619 -2.4613 -1.5346 -1.4489 -0.8255 -0.8167 0.0061 0.0211 0.2583 0.3136 1.1727 1.2163 1.4292 1.4319 1.9593 2.0033 2.1465 2.1488 2.4116 2.4360 2.5132 2.5209 2.8214 2.8285 2.8499 2.8556 3.1576 3.1637 3.3523 3.3529 7.7997 8.3926 9.5308 9.7193 10.4342 10.8540 11.3667 11.3674 11.9410 12.0805 k = 0.1639-0.2337 0.0000 ( 4096 PWs) bands (ev): -16.2614 -16.2613 -15.0979 -15.0895 -14.4377 -14.4362 -13.9354 -13.9352 -13.8812 -13.8800 -13.4685 -13.4650 -5.5481 -5.5464 -4.6881 -4.6863 -3.3597 -3.3521 -2.6861 -2.6273 -2.4795 -2.4788 -1.5245 -1.4410 -0.7946 -0.7864 -0.0023 0.0121 0.2631 0.3134 1.1827 1.2254 1.4422 1.4443 1.9462 1.9963 2.1484 2.1502 2.4094 2.4368 2.5016 2.5116 2.8111 2.8148 2.8535 2.8569 3.1475 3.1529 3.3492 3.3495 7.8045 8.3871 9.5319 9.7215 10.4250 10.8414 11.3449 11.3458 11.9527 12.0937 k = 0.1561-0.2226 0.0000 ( 4100 PWs) bands (ev): -16.2769 -16.2768 -15.0958 -15.0877 -14.4360 -14.4344 -13.9296 -13.9292 -13.8741 -13.8730 -13.4629 -13.4595 -5.5255 -5.5238 -4.6919 -4.6901 -3.3748 -3.3675 -2.6992 -2.6427 -2.4981 -2.4974 -1.5129 -1.4318 -0.7623 -0.7547 -0.0105 0.0035 0.2668 0.3122 1.1916 1.2330 1.4531 1.4545 1.9324 1.9873 2.1495 2.1509 2.4080 2.4379 2.4901 2.5022 2.8000 2.8016 2.8570 2.8593 3.1393 3.1439 3.3460 3.3460 7.8110 8.3814 9.5348 9.7252 10.4153 10.8254 11.3225 11.3237 11.9654 12.1064 k = 0.1483-0.2115 0.0000 ( 4103 PWs) bands (ev): -16.2918 -16.2918 -15.0939 -15.0860 -14.4347 -14.4331 -13.9238 -13.9234 -13.8669 -13.8659 -13.4573 -13.4542 -5.5040 -5.5023 -4.6942 -4.6923 -3.3896 -3.3826 -2.7118 -2.6574 -2.5176 -2.5167 -1.4999 -1.4214 -0.7289 -0.7219 -0.0183 -0.0048 0.2696 0.3101 1.1994 1.2390 1.4618 1.4626 1.9183 1.9766 2.1499 2.1511 2.4071 2.4384 2.4788 2.4927 2.7891 2.7892 2.8603 2.8621 3.1328 3.1367 3.3423 3.3427 7.8189 8.3754 9.5396 9.7303 10.4055 10.8062 11.2997 11.3011 11.9789 12.1183 k = 0.1405-0.2003 0.0000 ( 4099 PWs) bands (ev): -16.3061 -16.3061 -15.0921 -15.0845 -14.4337 -14.4323 -13.9182 -13.9178 -13.8597 -13.8587 -13.4519 -13.4489 -5.4838 -5.4821 -4.6950 -4.6931 -3.4040 -3.3973 -2.7236 -2.6717 -2.5376 -2.5367 -1.4857 -1.4099 -0.6947 -0.6884 -0.0255 -0.0124 0.2716 0.3072 1.2057 1.2429 1.4686 1.4690 1.9043 1.9648 2.1498 2.1510 2.4061 2.4371 2.4688 2.4834 2.7778 2.7789 2.8634 2.8650 3.1278 3.1310 3.3386 3.3392 7.8284 8.3693 9.5461 9.7370 10.3958 10.7844 11.2763 11.2780 11.9929 12.1294 k = 0.1327-0.1892 0.0000 ( 4101 PWs) bands (ev): -16.3197 -16.3197 -15.0904 -15.0832 -14.4332 -14.4317 -13.9128 -13.9123 -13.8525 -13.8516 -13.4467 -13.4439 -5.4649 -5.4632 -4.6943 -4.6924 -3.4180 -3.4115 -2.7349 -2.6854 -2.5581 -2.5570 -1.4705 -1.3975 -0.6601 -0.6545 -0.0321 -0.0194 0.2727 0.3036 1.2105 1.2446 1.4735 1.4737 1.8909 1.9521 2.1495 2.1507 2.4042 2.4322 2.4615 2.4743 2.7676 2.7696 2.8663 2.8679 3.1241 3.1267 3.3347 3.3356 7.8394 8.3629 9.5545 9.7452 10.3865 10.7604 11.2523 11.2543 12.0070 12.1395 k = 0.1249-0.1781 0.0000 ( 4105 PWs) bands (ev): -16.3327 -16.3327 -15.0889 -15.0820 -14.4329 -14.4315 -13.9075 -13.9070 -13.8453 -13.8445 -13.4416 -13.4390 -5.4474 -5.4457 -4.6922 -4.6903 -3.4314 -3.4253 -2.7456 -2.6986 -2.5788 -2.5776 -1.4544 -1.3844 -0.6256 -0.6206 -0.0379 -0.0256 0.2731 0.2995 1.2135 1.2439 1.4768 1.4771 1.8783 1.9391 2.1490 2.1504 2.4011 2.4232 2.4573 2.4658 2.7587 2.7615 2.8690 2.8707 3.1215 3.1236 3.3307 3.3318 7.8517 8.3562 9.5647 9.7547 10.3778 10.7348 11.2276 11.2299 12.0210 12.1486 k = 0.1171-0.1670 0.0000 ( 4101 PWs) bands (ev): -16.3449 -16.3449 -15.0875 -15.0809 -14.4329 -14.4316 -13.9025 -13.9019 -13.8383 -13.8375 -13.4368 -13.4344 -5.4312 -5.4297 -4.6887 -4.6869 -3.4442 -3.4385 -2.7557 -2.7112 -2.5995 -2.5982 -1.4377 -1.3707 -0.5914 -0.5871 -0.0428 -0.0308 0.2729 0.2950 1.2146 1.2407 1.4787 1.4794 1.8669 1.9262 2.1484 2.1502 2.3960 2.4114 2.4547 2.4581 2.7512 2.7547 2.8717 2.8736 3.1198 3.1215 3.3266 3.3280 7.8655 8.3492 9.5766 9.7656 10.3701 10.7079 11.2023 11.2049 12.0347 12.1567 k = 0.1093-0.1558 0.0000 ( 4099 PWs) bands (ev): -16.3565 -16.3565 -15.0862 -15.0800 -14.4331 -14.4318 -13.8976 -13.8970 -13.8315 -13.8308 -13.4322 -13.4300 -5.4166 -5.4151 -4.6840 -4.6822 -3.4564 -3.4511 -2.7652 -2.7234 -2.6200 -2.6186 -1.4204 -1.3568 -0.5579 -0.5544 -0.0465 -0.0349 0.2722 0.2904 1.2137 1.2351 1.4792 1.4807 1.8569 1.9138 2.1480 2.1501 2.3890 2.3982 2.4513 2.4522 2.7452 2.7492 2.8744 2.8764 3.1189 3.1202 3.3225 3.3241 7.8804 8.3417 9.5902 9.7777 10.3636 10.6803 11.1763 11.1792 12.0481 12.1637 k = 0.1014-0.1447 0.0000 ( 4107 PWs) bands (ev): -16.3673 -16.3673 -15.0851 -15.0792 -14.4334 -14.4322 -13.8930 -13.8924 -13.8249 -13.8243 -13.4278 -13.4258 -5.4034 -5.4019 -4.6782 -4.6765 -3.4680 -3.4630 -2.7742 -2.7350 -2.6400 -2.6387 -1.4028 -1.3427 -0.5258 -0.5229 -0.0489 -0.0378 0.2711 0.2855 1.2109 1.2272 1.4787 1.4810 1.8484 1.9022 2.1478 2.1503 2.3799 2.3845 2.4452 2.4492 2.7406 2.7451 2.8770 2.8791 3.1185 3.1196 3.3184 3.3202 7.8965 8.3337 9.6053 9.7907 10.3584 10.6523 11.1497 11.1528 12.0609 12.1696 k = 0.0936-0.1336 0.0000 ( 4105 PWs) bands (ev): -16.3774 -16.3774 -15.0840 -15.0785 -14.4339 -14.4328 -13.8886 -13.8880 -13.8186 -13.8180 -13.4237 -13.4218 -5.3916 -5.3902 -4.6715 -4.6698 -3.4788 -3.4741 -2.7825 -2.7462 -2.6595 -2.6581 -1.3852 -1.3287 -0.4952 -0.4930 -0.0499 -0.0393 0.2696 0.2808 1.2061 1.2175 1.4772 1.4806 1.8415 1.8916 2.1477 2.1507 2.3694 2.3705 2.4396 2.4455 2.7374 2.7422 2.8795 2.8818 3.1186 3.1195 3.3144 3.3163 7.9137 8.3250 9.6220 9.8044 10.3548 10.6244 11.1225 11.1258 12.0730 12.1745 k = 0.0858-0.1224 0.0000 ( 4107 PWs) bands (ev): -16.3867 -16.3867 -15.0830 -15.0780 -14.4345 -14.4334 -13.8845 -13.8839 -13.8127 -13.8121 -13.4199 -13.4182 -5.3812 -5.3799 -4.6640 -4.6624 -3.4888 -3.4845 -2.7904 -2.7569 -2.6780 -2.6767 -1.3676 -1.3150 -0.4668 -0.4651 -0.0493 -0.0392 0.2679 0.2761 1.1995 1.2062 1.4750 1.4793 1.8363 1.8823 2.1480 2.1514 2.3567 2.3579 2.4341 2.4409 2.7356 2.7405 2.8820 2.8843 3.1191 3.1198 3.3105 3.3124 7.9318 8.3157 9.6400 9.8185 10.3528 10.5970 11.0950 11.0984 12.0846 12.1784 k = 0.0780-0.1113 0.0000 ( 4099 PWs) bands (ev): -16.3952 -16.3952 -15.0821 -15.0775 -14.4351 -14.4341 -13.8807 -13.8801 -13.8071 -13.8066 -13.4163 -13.4148 -5.3720 -5.3708 -4.6561 -4.6546 -3.4981 -3.4942 -2.7976 -2.7671 -2.6955 -2.6943 -1.3504 -1.3018 -0.4408 -0.4397 -0.0471 -0.0376 0.2661 0.2717 1.1914 1.1938 1.4720 1.4771 1.8327 1.8744 2.1485 2.1523 2.3431 2.3459 2.4286 2.4357 2.7348 2.7398 2.8843 2.8867 3.1197 3.1203 3.3067 3.3086 7.9508 8.3057 9.6592 9.8326 10.3527 10.5706 11.0673 11.0706 12.0954 12.1814 k = 0.0702-0.1002 0.0000 ( 4103 PWs) bands (ev): -16.4030 -16.4030 -15.0813 -15.0772 -14.4357 -14.4349 -13.8772 -13.8767 -13.8019 -13.8015 -13.4130 -13.4117 -5.3641 -5.3630 -4.6479 -4.6465 -3.5065 -3.5030 -2.8044 -2.7769 -2.7116 -2.7107 -1.3337 -1.2894 -0.4177 -0.4170 -0.0433 -0.0345 0.2641 0.2676 1.1809 1.1821 1.4686 1.4742 1.8307 1.8679 2.1494 2.1534 2.3301 2.3337 2.4230 2.4300 2.7351 2.7399 2.8864 2.8888 3.1205 3.1210 3.3030 3.3050 7.9704 8.2947 9.6794 9.8462 10.3542 10.5455 11.0396 11.0429 12.1056 12.1834 k = 0.0624-0.0890 0.0000 ( 4099 PWs) bands (ev): -16.4100 -16.4100 -15.0806 -15.0769 -14.4364 -14.4356 -13.8740 -13.8735 -13.7972 -13.7968 -13.4101 -13.4089 -5.3573 -5.3564 -4.6397 -4.6385 -3.5141 -3.5110 -2.8106 -2.7863 -2.7262 -2.7256 -1.3178 -1.2779 -0.3975 -0.3972 -0.0380 -0.0300 0.2622 0.2640 1.1679 1.1719 1.4648 1.4707 1.8300 1.8627 2.1505 2.1547 2.3177 2.3216 2.4174 2.4240 2.7360 2.7406 2.8884 2.8908 3.1214 3.1218 3.2997 3.3015 7.9905 8.2829 9.7003 9.8587 10.3576 10.5223 11.0123 11.0154 12.1150 12.1845 k = 0.0546-0.0779 0.0000 ( 4091 PWs) bands (ev): -16.4162 -16.4162 -15.0800 -15.0767 -14.4370 -14.4363 -13.8711 -13.8707 -13.7930 -13.7926 -13.4074 -13.4064 -5.3516 -5.3507 -4.6317 -4.6306 -3.5208 -3.5181 -2.8162 -2.7953 -2.7392 -2.7389 -1.3029 -1.2676 -0.3804 -0.3804 -0.0314 -0.0244 0.2603 0.2608 1.1553 1.1613 1.4608 1.4668 1.8305 1.8587 2.1519 2.1562 2.3062 2.3101 2.4119 2.4179 2.7375 2.7417 2.8902 2.8924 3.1223 3.1227 3.2966 3.2983 8.0111 8.2702 9.7218 9.8695 10.3625 10.5012 10.9859 10.9887 12.1239 12.1849 k = 0.0468-0.0668 0.0000 ( 4091 PWs) bands (ev): -16.4215 -16.4215 -15.0794 -15.0765 -14.4376 -14.4370 -13.8686 -13.8683 -13.7893 -13.7890 -13.4051 -13.4042 -5.3468 -5.3461 -4.6242 -4.6233 -3.5266 -3.5243 -2.8213 -2.8037 -2.7505 -2.7504 -1.2891 -1.2585 -0.3664 -0.3664 -0.0241 -0.0180 0.2581 0.2585 1.1437 1.1508 1.4569 1.4625 1.8319 1.8557 2.1535 2.1577 2.2957 2.2992 2.4067 2.4120 2.7392 2.7431 2.8918 2.8938 3.1232 3.1235 3.2938 3.2954 8.0319 8.2565 9.7435 9.8779 10.3688 10.4826 10.9608 10.9633 12.1320 12.1845 k = 0.0390-0.0557 0.0000 ( 4087 PWs) bands (ev): -16.4261 -16.4261 -15.0789 -15.0765 -14.4381 -14.4376 -13.8665 -13.8662 -13.7861 -13.7858 -13.4031 -13.4024 -5.3429 -5.3423 -4.6175 -4.6166 -3.5315 -3.5296 -2.8258 -2.8115 -2.7602 -2.7597 -1.2767 -1.2510 -0.3553 -0.3551 -0.0165 -0.0115 0.2559 0.2569 1.1333 1.1407 1.4532 1.4583 1.8340 1.8535 2.1553 2.1592 2.2864 2.2894 2.4020 2.4065 2.7411 2.7444 2.8931 2.8949 3.1240 3.1243 3.2914 3.2928 8.0529 8.2418 9.7651 9.8835 10.3762 10.4667 10.9377 10.9398 12.1395 12.1834 k = 0.0312-0.0445 0.0000 ( 4083 PWs) bands (ev): -16.4298 -16.4298 -15.0784 -15.0765 -14.4385 -14.4381 -13.8647 -13.8645 -13.7834 -13.7832 -13.4015 -13.4009 -5.3398 -5.3393 -4.6116 -4.6109 -3.5356 -3.5340 -2.8296 -2.8184 -2.7680 -2.7672 -1.2658 -1.2451 -0.3466 -0.3465 -0.0093 -0.0052 0.2543 0.2554 1.1245 1.1315 1.4499 1.4543 1.8364 1.8518 2.1571 2.1606 2.2784 2.2808 2.3979 2.4016 2.7430 2.7457 2.8943 2.8958 3.1247 3.1249 3.2894 3.2906 8.0739 8.2262 9.7863 9.8857 10.3844 10.4534 10.9172 10.9190 12.1465 12.1816 k = 0.0234-0.0334 0.0000 ( 4087 PWs) bands (ev): -16.4327 -16.4327 -15.0780 -15.0765 -14.4388 -14.4385 -13.8633 -13.8631 -13.7813 -13.7812 -13.4002 -13.3997 -5.3375 -5.3371 -4.6068 -4.6063 -3.5386 -3.5375 -2.8325 -2.8244 -2.7739 -2.7731 -1.2566 -1.2410 -0.3402 -0.3401 -0.0028 0.0002 0.2531 0.2542 1.1177 1.1235 1.4473 1.4508 1.8389 1.8503 2.1588 2.1617 2.2720 2.2738 2.3947 2.3975 2.7446 2.7467 2.8952 2.8964 3.1253 3.1255 3.2878 3.2887 8.0947 8.2097 9.8066 9.8842 10.3928 10.4424 10.9003 10.9016 12.1528 12.1792 k = 0.0156-0.0223 0.0000 ( 4089 PWs) bands (ev): -16.4348 -16.4348 -15.0776 -15.0766 -14.4390 -14.4388 -13.8623 -13.8622 -13.7798 -13.7798 -13.3992 -13.3989 -5.3358 -5.3356 -4.6033 -4.6029 -3.5408 -3.5400 -2.8344 -2.8291 -2.7779 -2.7772 -1.2492 -1.2387 -0.3359 -0.3357 0.0023 0.0042 0.2524 0.2533 1.1130 1.1172 1.4455 1.4479 1.8414 1.8489 2.1604 2.1624 2.2672 2.2684 2.3924 2.3943 2.7460 2.7474 2.8960 2.8967 3.1258 3.1259 3.2868 3.2874 8.1153 8.1922 9.8256 9.8789 10.4013 10.4331 10.8875 10.8883 12.1586 12.1762 k = 0.0078-0.0111 0.0000 ( 4097 PWs) bands (ev): -16.4361 -16.4361 -15.0773 -15.0768 -14.4392 -14.4391 -13.8617 -13.8616 -13.7789 -13.7789 -13.3986 -13.3985 -5.3348 -5.3347 -4.6011 -4.6009 -3.5420 -3.5416 -2.8351 -2.8325 -2.7802 -2.7798 -1.2436 -1.2384 -0.3333 -0.3332 0.0057 0.0066 0.2521 0.2526 1.1106 1.1128 1.4446 1.4459 1.8437 1.8474 2.1616 2.1627 2.2644 2.2650 2.3912 2.3921 2.7470 2.7477 2.8965 2.8969 3.1260 3.1261 3.2862 3.2865 8.1354 8.1740 9.8429 9.8700 10.4094 10.4249 10.8796 10.8800 12.1638 12.1726 k = 0.0000 0.0000 0.0000 ( 4099 PWs) bands (ev): -16.4365 -16.4365 -15.0770 -15.0770 -14.4392 -14.4392 -13.8615 -13.8615 -13.7786 -13.7786 -13.3984 -13.3984 -5.3345 -5.3345 -4.6003 -4.6003 -3.5423 -3.5423 -2.8345 -2.8345 -2.7808 -2.7808 -1.2400 -1.2400 -0.3324 -0.3324 0.0071 0.0071 0.2522 0.2522 1.1106 1.1106 1.4447 1.4447 1.8457 1.8457 2.1624 2.1624 2.2637 2.2637 2.3911 2.3911 2.7475 2.7475 2.8968 2.8968 3.1262 3.1262 3.2861 3.2861 8.1550 8.1550 9.8578 9.8578 10.4172 10.4172 10.8770 10.8770 12.1685 12.1685 k = 0.0000 0.0000 0.0000 ( 4099 PWs) bands (ev): -16.4365 -16.4365 -15.0770 -15.0770 -14.4392 -14.4392 -13.8615 -13.8615 -13.7786 -13.7786 -13.3984 -13.3984 -5.3345 -5.3345 -4.6003 -4.6003 -3.5423 -3.5423 -2.8345 -2.8345 -2.7808 -2.7808 -1.2400 -1.2400 -0.3324 -0.3324 0.0071 0.0071 0.2522 0.2522 1.1106 1.1106 1.4447 1.4447 1.8457 1.8457 2.1624 2.1624 2.2637 2.2637 2.3911 2.3911 2.7475 2.7475 2.8968 2.8968 3.1262 3.1262 3.2861 3.2861 8.1550 8.1550 9.8578 9.8578 10.4172 10.4172 10.8770 10.8770 12.1685 12.1685 k = 0.0128-0.0046-0.0022 ( 4098 PWs) bands (ev): -16.4361 -16.4360 -15.0773 -15.0768 -14.4393 -14.4389 -13.8619 -13.8618 -13.7790 -13.7785 -13.3990 -13.3983 -5.3347 -5.3344 -4.6018 -4.6015 -3.5418 -3.5413 -2.8373 -2.8294 -2.7828 -2.7768 -1.2448 -1.2368 -0.3343 -0.3328 -0.0032 0.0153 0.2486 0.2566 1.1065 1.1163 1.4352 1.4551 1.8398 1.8447 2.1606 2.1690 2.2643 2.2664 2.3912 2.3921 2.7468 2.7476 2.8967 2.8972 3.1259 3.1261 3.2860 3.2863 8.1371 8.1723 9.8435 9.8698 10.4067 10.4269 10.8709 10.8887 12.1622 12.1748 k = 0.0256-0.0093-0.0044 ( 4093 PWs) bands (ev): -16.4346 -16.4345 -15.0776 -15.0765 -14.4392 -14.4384 -13.8632 -13.8630 -13.7797 -13.7788 -13.4001 -13.3989 -5.3352 -5.3345 -4.6060 -4.6055 -3.5399 -3.5389 -2.8379 -2.8224 -2.7823 -2.7704 -1.2512 -1.2353 -0.3386 -0.3353 -0.0150 0.0207 0.2462 0.2616 1.1040 1.1231 1.4268 1.4659 1.8279 1.8368 2.1639 2.1788 2.2678 2.2729 2.3924 2.3943 2.7454 2.7470 2.8970 2.8980 3.1254 3.1257 3.2860 3.2866 8.1186 8.1889 9.8269 9.8795 10.3961 10.4355 10.8709 10.9052 12.1562 12.1813 k = 0.0385-0.0139-0.0065 ( 4088 PWs) bands (ev): -16.4323 -16.4320 -15.0778 -15.0763 -14.4390 -14.4377 -13.8652 -13.8650 -13.7807 -13.7793 -13.4019 -13.4000 -5.3360 -5.3350 -4.6127 -4.6120 -3.5365 -3.5350 -2.8369 -2.8150 -2.7781 -2.7616 -1.2591 -1.2355 -0.3452 -0.3398 -0.0277 0.0233 0.2451 0.2667 1.1029 1.1305 1.4200 1.4769 1.8113 1.8233 2.1715 2.1898 2.2739 2.2836 2.3949 2.3980 2.7434 2.7457 2.8976 2.8990 3.1245 3.1250 3.2861 3.2870 8.0997 8.2048 9.8081 9.8869 10.3860 10.4428 10.8773 10.9255 12.1504 12.1877 k = 0.0513-0.0186-0.0087 ( 4088 PWs) bands (ev): -16.4289 -16.4286 -15.0781 -15.0761 -14.4387 -14.4369 -13.8681 -13.8678 -13.7819 -13.7801 -13.4042 -13.4017 -5.3371 -5.3357 -4.6219 -4.6208 -3.5317 -3.5295 -2.8347 -2.8092 -2.7685 -2.7497 -1.2685 -1.2372 -0.3544 -0.3462 -0.0404 0.0230 0.2454 0.2717 1.1028 1.1374 1.4155 1.4879 1.7914 1.8059 2.1822 2.2008 2.2822 2.2978 2.3989 2.4037 2.7408 2.7437 2.8986 2.9005 3.1233 3.1239 3.2864 3.2876 8.0803 8.2200 9.7872 9.8920 10.3770 10.4492 10.8897 10.9487 12.1448 12.1939 k = 0.0641-0.0232-0.0109 ( 4091 PWs) bands (ev): -16.4246 -16.4242 -15.0784 -15.0758 -14.4382 -14.4360 -13.8719 -13.8715 -13.7832 -13.7811 -13.4070 -13.4040 -5.3387 -5.3369 -4.6331 -4.6316 -3.5254 -3.5226 -2.8318 -2.8057 -2.7532 -2.7346 -1.2792 -1.2405 -0.3661 -0.3545 -0.0527 0.0203 0.2471 0.2766 1.1030 1.1425 1.4139 1.4986 1.7692 1.7863 2.1941 2.2112 2.2921 2.3144 2.4049 2.4122 2.7377 2.7413 2.8999 2.9022 3.1216 3.1224 3.2869 3.2884 8.0607 8.2344 9.7645 9.8951 10.3695 10.4553 10.9076 10.9741 12.1395 12.1998 k = 0.0769-0.0279-0.0131 ( 4088 PWs) bands (ev): -16.4194 -16.4189 -15.0787 -15.0757 -14.4376 -14.4351 -13.8764 -13.8760 -13.7847 -13.7822 -13.4104 -13.4067 -5.3409 -5.3387 -4.6460 -4.6440 -3.5177 -3.5141 -2.8288 -2.8036 -2.7335 -2.7161 -1.2911 -1.2453 -0.3802 -0.3644 -0.0639 0.0156 0.2498 0.2812 1.1030 1.1448 1.4158 1.5085 1.7459 1.7662 2.2061 2.2214 2.3029 2.3309 2.4135 2.4245 2.7344 2.7384 2.9016 2.9044 3.1196 3.1204 3.2877 3.2895 8.0409 8.2480 9.7402 9.8962 10.3639 10.4620 10.9299 11.0010 12.1343 12.2053 k = 0.0897-0.0325-0.0152 ( 4089 PWs) bands (ev): -16.4133 -16.4126 -15.0791 -15.0755 -14.4370 -14.4340 -13.8819 -13.8813 -13.7862 -13.7835 -13.4142 -13.4100 -5.3438 -5.3413 -4.6601 -4.6576 -3.5085 -3.5041 -2.8258 -2.8020 -2.7108 -2.6945 -1.3040 -1.2514 -0.3963 -0.3759 -0.0738 0.0097 0.2532 0.2854 1.1018 1.1435 1.4211 1.5174 1.7228 1.7469 2.2172 2.2317 2.3137 2.3455 2.4252 2.4414 2.7311 2.7354 2.9036 2.9068 3.1170 3.1180 3.2888 3.2909 8.0211 8.2609 9.7145 9.8955 10.3602 10.4699 10.9559 11.0289 12.1292 12.2101 k = 0.1026-0.0372-0.0174 ( 4092 PWs) bands (ev): -16.4062 -16.4055 -15.0795 -15.0754 -14.4363 -14.4330 -13.8882 -13.8874 -13.7877 -13.7849 -13.4185 -13.4137 -5.3477 -5.3448 -4.6751 -4.6720 -3.4978 -3.4925 -2.8229 -2.8006 -2.6858 -2.6702 -1.3176 -1.2586 -0.4142 -0.3887 -0.0822 0.0031 0.2570 0.2892 1.0987 1.1383 1.4292 1.5245 1.7010 1.7293 2.2272 2.2423 2.3238 2.3572 2.4401 2.4623 2.7281 2.7324 2.9060 2.9097 3.1141 3.1152 3.2903 3.2926 8.0015 8.2730 9.6880 9.8933 10.3585 10.4798 10.9847 11.0573 12.1241 12.2143 k = 0.1154-0.0418-0.0196 ( 4095 PWs) bands (ev): -16.3983 -16.3975 -15.0799 -15.0754 -14.4357 -14.4320 -13.8952 -13.8943 -13.7892 -13.7863 -13.4232 -13.4180 -5.3528 -5.3494 -4.6905 -4.6866 -3.4858 -3.4794 -2.8200 -2.7992 -2.6593 -2.6436 -1.3316 -1.2667 -0.4333 -0.4027 -0.0892 -0.0038 0.2608 0.2925 1.0927 1.1298 1.4386 1.5295 1.6816 1.7146 2.2364 2.2529 2.3326 2.3663 2.4578 2.4859 2.7262 2.7302 2.9086 2.9128 3.1107 3.1120 3.2921 3.2947 7.9821 8.2844 9.6609 9.8897 10.3588 10.4918 11.0153 11.0860 12.1189 12.2176 k = 0.1282-0.0465-0.0218 ( 4096 PWs) bands (ev): -16.3895 -16.3886 -15.0803 -15.0754 -14.4353 -14.4312 -13.9030 -13.9017 -13.7906 -13.7876 -13.4283 -13.4226 -5.3591 -5.3554 -4.7058 -4.7012 -3.4724 -3.4648 -2.8172 -2.7976 -2.6317 -2.6155 -1.3458 -1.2754 -0.4531 -0.4176 -0.0947 -0.0105 0.2645 0.2954 1.0829 1.1188 1.4473 1.5324 1.6654 1.7036 2.2450 2.2632 2.3402 2.3737 2.4773 2.5096 2.7259 2.7299 2.9114 2.9164 3.1071 3.1087 3.2944 3.2972 7.9633 8.2949 9.6336 9.8851 10.3612 10.5061 11.0473 11.1148 12.1135 12.2202 k = 0.1410-0.0511-0.0239 ( 4097 PWs) bands (ev): -16.3798 -16.3789 -15.0809 -15.0755 -14.4349 -14.4306 -13.9114 -13.9098 -13.7920 -13.7890 -13.4338 -13.4276 -5.3669 -5.3627 -4.7206 -4.7153 -3.4577 -3.4489 -2.8143 -2.7958 -2.6035 -2.5866 -1.3597 -1.2843 -0.4732 -0.4332 -0.0991 -0.0168 0.2679 0.2978 1.0687 1.1062 1.4527 1.5337 1.6531 1.6967 2.2532 2.2729 2.3468 2.3800 2.4967 2.5310 2.7278 2.7335 2.9145 2.9202 3.1034 3.1054 3.2971 3.3001 7.9451 8.3047 9.6064 9.8796 10.3656 10.5226 11.0802 11.1436 12.1078 12.2219 k = 0.1538-0.0558-0.0261 ( 4103 PWs) bands (ev): -16.3694 -16.3684 -15.0815 -15.0756 -14.4349 -14.4302 -13.9203 -13.9184 -13.7933 -13.7902 -13.4397 -13.4330 -5.3764 -5.3717 -4.7345 -4.7285 -3.4418 -3.4316 -2.8112 -2.7937 -2.5752 -2.5575 -1.3729 -1.2931 -0.4933 -0.4491 -0.1024 -0.0225 0.2706 0.2998 1.0505 1.0921 1.4533 1.5341 1.6453 1.6937 2.2612 2.2821 2.3525 2.3855 2.5143 2.5475 2.7329 2.7433 2.9176 2.9243 3.0999 3.1024 3.3002 3.3034 7.9277 8.3137 9.5796 9.8735 10.3718 10.5412 11.1134 11.1722 12.1018 12.2227 k = 0.1667-0.0604-0.0283 ( 4099 PWs) bands (ev): -16.3582 -16.3571 -15.0822 -15.0759 -14.4351 -14.4302 -13.9296 -13.9272 -13.7946 -13.7915 -13.4458 -13.4387 -5.3874 -5.3824 -4.7473 -4.7406 -3.4248 -3.4131 -2.8080 -2.7913 -2.5472 -2.5287 -1.3849 -1.3013 -0.5128 -0.4652 -0.1048 -0.0277 0.2727 0.3014 1.0290 1.0762 1.4494 1.5329 1.6422 1.6935 2.2688 2.2907 2.3576 2.3904 2.5281 2.5573 2.7428 2.7600 2.9209 2.9287 3.0968 3.1001 3.3037 3.3070 7.9113 8.3218 9.5535 9.8670 10.3798 10.5615 11.1468 11.2006 12.0954 12.2227 k = 0.1795-0.0651-0.0305 ( 4096 PWs) bands (ev): -16.3462 -16.3451 -15.0829 -15.0764 -14.4358 -14.4306 -13.9390 -13.9363 -13.7957 -13.7926 -13.4522 -13.4447 -5.4002 -5.3947 -4.7587 -4.7513 -3.4069 -3.3937 -2.8046 -2.7885 -2.5202 -2.5010 -1.3952 -1.3084 -0.5315 -0.4813 -0.1066 -0.0322 0.2738 0.3025 1.0050 1.0582 1.4424 1.5293 1.6437 1.6948 2.2763 2.2988 2.3620 2.3947 2.5366 2.5603 2.7587 2.7830 2.9243 2.9335 3.0944 3.0989 3.3077 3.3110 7.8962 8.3292 9.5283 9.8601 10.3894 10.5834 11.1801 11.2288 12.0886 12.2219 k = 0.1923-0.0697-0.0326 ( 4100 PWs) bands (ev): -16.3336 -16.3324 -15.0839 -15.0769 -14.4370 -14.4315 -13.9485 -13.9454 -13.7968 -13.7937 -13.4588 -13.4510 -5.4147 -5.4088 -4.7686 -4.7606 -3.3881 -3.3734 -2.8008 -2.7853 -2.4946 -2.4747 -1.4033 -1.3138 -0.5493 -0.4971 -0.1078 -0.0361 0.2740 0.3034 0.9795 1.0380 1.4341 1.5231 1.6481 1.6966 2.2836 2.3063 2.3656 2.3981 2.5397 2.5578 2.7804 2.8099 2.9277 2.9390 3.0931 3.0995 3.3120 3.3154 7.8824 8.3356 9.5043 9.8530 10.4003 10.6064 11.2130 11.2569 12.0814 12.2203 k = 0.2051-0.0744-0.0348 ( 4097 PWs) bands (ev): -16.3203 -16.3191 -15.0849 -15.0777 -14.4388 -14.4331 -13.9578 -13.9545 -13.7979 -13.7948 -13.4657 -13.4575 -5.4307 -5.4244 -4.7768 -4.7684 -3.3688 -3.3526 -2.7966 -2.7816 -2.4708 -2.4503 -1.4086 -1.3172 -0.5660 -0.5125 -0.1088 -0.0394 0.2731 0.3039 0.9528 1.0157 1.4257 1.5150 1.6537 1.6980 2.2908 2.3133 2.3682 2.4006 2.5381 2.5516 2.8065 2.8382 2.9315 2.9459 3.0932 3.1024 3.3168 3.3202 7.8700 8.3411 9.4817 9.8456 10.4124 10.6302 11.2455 11.2848 12.0738 12.2178 k = 0.2179-0.0790-0.0370 ( 4100 PWs) bands (ev): -16.3065 -16.3052 -15.0861 -15.0786 -14.4412 -14.4353 -13.9668 -13.9632 -13.7989 -13.7958 -13.4727 -13.4643 -5.4481 -5.4415 -4.7835 -4.7747 -3.3492 -3.3314 -2.7920 -2.7773 -2.4492 -2.4282 -1.4108 -1.3180 -0.5814 -0.5275 -0.1095 -0.0422 0.2712 0.3041 0.9255 0.9916 1.4179 1.5059 1.6585 1.6984 2.2980 2.3197 2.3697 2.4018 2.5327 2.5437 2.8346 2.8646 2.9360 2.9552 3.0952 3.1085 3.3220 3.3254 7.8593 8.3457 9.4605 9.8381 10.4255 10.6543 11.2773 11.3125 12.0658 12.2146 k = 0.2308-0.0837-0.0392 ( 4100 PWs) bands (ev): -16.2921 -16.2907 -15.0875 -15.0797 -14.4443 -14.4383 -13.9754 -13.9716 -13.7998 -13.7967 -13.4798 -13.4712 -5.4667 -5.4598 -4.7886 -4.7795 -3.3294 -3.3101 -2.7868 -2.7725 -2.4302 -2.4086 -1.4095 -1.3160 -0.5957 -0.5418 -0.1102 -0.0446 0.2682 0.3039 0.8979 0.9661 1.4108 1.4963 1.6611 1.6975 2.3052 2.3253 2.3699 2.4015 2.5248 2.5354 2.8616 2.8863 2.9424 2.9678 3.0995 3.1187 3.3278 3.3313 7.8503 8.3491 9.4410 9.8304 10.4393 10.6785 11.3084 11.3400 12.0575 12.2107 k = 0.2436-0.0883-0.0413 ( 4101 PWs) bands (ev): -16.2772 -16.2758 -15.0891 -15.0810 -14.4482 -14.4421 -13.9834 -13.9794 -13.8007 -13.7976 -13.4870 -13.4782 -5.4863 -5.4791 -4.7924 -4.7830 -3.3098 -3.2892 -2.7809 -2.7671 -2.4138 -2.3916 -1.4043 -1.3108 -0.6087 -0.5556 -0.1110 -0.0466 0.2642 0.3034 0.8704 0.9397 1.4045 1.4865 1.6607 1.6954 2.3124 2.3293 2.3689 2.3998 2.5154 2.5278 2.8830 2.9022 2.9534 2.9833 3.1069 3.1340 3.3342 3.3379 7.8431 8.3515 9.4232 9.8224 10.4537 10.7023 11.3387 11.3673 12.0490 12.2060 k = 0.2564-0.0930-0.0435 ( 4102 PWs) bands (ev): -16.2620 -16.2606 -15.0909 -15.0826 -14.4528 -14.4468 -13.9906 -13.9865 -13.8016 -13.7984 -13.4943 -13.4853 -5.5065 -5.4992 -4.7948 -4.7853 -3.2906 -3.2688 -2.7744 -2.7610 -2.4000 -2.3772 -1.3953 -1.3023 -0.6204 -0.5687 -0.1119 -0.0484 0.2593 0.3025 0.8433 0.9127 1.3991 1.4768 1.6567 1.6918 2.3193 2.3308 2.3671 2.3970 2.5061 2.5211 2.8964 2.9121 2.9707 2.9995 3.1181 3.1544 3.3414 3.3458 7.8378 8.3526 9.4073 9.8141 10.4686 10.7254 11.3681 11.3943 12.0404 12.2005 k = 0.2692-0.0976-0.0457 ( 4100 PWs) bands (ev): -16.2464 -16.2450 -15.0929 -15.0845 -14.4583 -14.4522 -13.9971 -13.9929 -13.8024 -13.7992 -13.5016 -13.4925 -5.5273 -5.5198 -4.7961 -4.7866 -3.2722 -3.2494 -2.7671 -2.7542 -2.3886 -2.3652 -1.3823 -1.2906 -0.6309 -0.5811 -0.1130 -0.0500 0.2537 0.3011 0.8167 0.8855 1.3942 1.4673 1.6489 1.6867 2.3251 2.3290 2.3647 2.3946 2.4978 2.5154 2.9037 2.9175 2.9911 3.0142 3.1340 3.1791 3.3496 3.3554 7.8345 8.3523 9.3935 9.8053 10.4836 10.7473 11.3965 11.4209 12.0318 12.1942 k = 0.2821-0.1023-0.0479 ( 4103 PWs) bands (ev): -16.2306 -16.2291 -15.0951 -15.0866 -14.4645 -14.4584 -14.0026 -13.9984 -13.8031 -13.7999 -13.5088 -13.4997 -5.5482 -5.5406 -4.7965 -4.7870 -3.2549 -3.2312 -2.7592 -2.7468 -2.3794 -2.3554 -1.3656 -1.2758 -0.6403 -0.5929 -0.1144 -0.0515 0.2474 0.2993 0.7909 0.8584 1.3896 1.4579 1.6375 1.6798 2.3213 2.3310 2.3615 2.3945 2.4908 2.5107 2.9079 2.9202 3.0102 3.0268 3.1548 3.2060 3.3590 3.3676 7.8331 8.3506 9.3817 9.7961 10.4988 10.7678 11.4238 11.4469 12.0233 12.1871 k = 0.2949-0.1069-0.0500 ( 4103 PWs) bands (ev): -16.2147 -16.2132 -15.0976 -15.0890 -14.4714 -14.4654 -14.0073 -14.0031 -13.8039 -13.8006 -13.5160 -13.5069 -5.5690 -5.5615 -4.7961 -4.7868 -3.2388 -3.2147 -2.7506 -2.7388 -2.3719 -2.3473 -1.3454 -1.2583 -0.6486 -0.6041 -0.1160 -0.0529 0.2406 0.2971 0.7661 0.8318 1.3851 1.4489 1.6231 1.6711 2.3118 2.3307 2.3599 2.3976 2.4853 2.5070 2.9103 2.9216 3.0258 3.0377 3.1795 3.2325 3.3702 3.3830 7.8337 8.3473 9.3722 9.7863 10.5139 10.7865 11.4500 11.4723 12.0151 12.1793 k = 0.3077-0.1116-0.0522 ( 4104 PWs) bands (ev): -16.1987 -16.1972 -15.1003 -15.0917 -14.4789 -14.4729 -14.0110 -14.0069 -13.8046 -13.8013 -13.5231 -13.5141 -5.5896 -5.5821 -4.7950 -4.7859 -3.2242 -3.1999 -2.7415 -2.7303 -2.3656 -2.3404 -1.3223 -1.2385 -0.6559 -0.6147 -0.1178 -0.0545 0.2333 0.2943 0.7425 0.8059 1.3803 1.4401 1.6061 1.6604 2.3001 2.3235 2.3629 2.4028 2.4810 2.5040 2.9119 2.9224 3.0380 3.0471 3.2061 3.2565 3.3839 3.4027 7.8364 8.3423 9.3651 9.7758 10.5290 10.8030 11.4751 11.4968 12.0071 12.1707 k = 0.3205-0.1162-0.0544 ( 4105 PWs) bands (ev): -16.1828 -16.1813 -15.1032 -15.0947 -14.4869 -14.4810 -14.0138 -14.0098 -13.8052 -13.8020 -13.5300 -13.5211 -5.6097 -5.6023 -4.7935 -4.7846 -3.2112 -3.1870 -2.7321 -2.7215 -2.3599 -2.3344 -1.2967 -1.2169 -0.6623 -0.6248 -0.1197 -0.0561 0.2258 0.2909 0.7202 0.7809 1.3749 1.4314 1.5872 1.6480 2.2872 2.3119 2.3688 2.4091 2.4775 2.5015 2.9131 2.9229 3.0475 3.0553 3.2320 3.2766 3.4007 3.4266 7.8410 8.3355 9.3603 9.7646 10.5440 10.8172 11.4989 11.5205 11.9996 12.1613 k = 0.3333-0.1209-0.0566 ( 4107 PWs) bands (ev): -16.1670 -16.1655 -15.1063 -15.0980 -14.4952 -14.4895 -14.0158 -14.0119 -13.8058 -13.8026 -13.5368 -13.5280 -5.6291 -5.6219 -4.7915 -4.7830 -3.2000 -3.1762 -2.7226 -2.7127 -2.3543 -2.3286 -1.2692 -1.1939 -0.6680 -0.6344 -0.1216 -0.0577 0.2181 0.2870 0.6992 0.7571 1.3686 1.4228 1.5673 1.6342 2.2740 2.2987 2.3757 2.4159 2.4748 2.4995 2.9139 2.9232 3.0554 3.0624 3.2555 3.2927 3.4213 3.4542 7.8477 8.3269 9.3580 9.7525 10.5588 10.8287 11.5215 11.5433 11.9926 12.1512 k = 0.3462-0.1255-0.0587 ( 4105 PWs) bands (ev): -16.1516 -16.1501 -15.1096 -15.1015 -14.5036 -14.4981 -14.0170 -14.0133 -13.8064 -13.8032 -13.5433 -13.5348 -5.6476 -5.6407 -4.7893 -4.7811 -3.1904 -3.1674 -2.7133 -2.7041 -2.3483 -2.3228 -1.2402 -1.1701 -0.6731 -0.6436 -0.1232 -0.0595 0.2104 0.2824 0.6799 0.7346 1.3611 1.4138 1.5473 1.6196 2.2609 2.2851 2.3828 2.4226 2.4726 2.4977 2.9147 2.9235 3.0620 3.0685 3.2754 3.3054 3.4455 3.4839 7.8562 8.3164 9.3581 9.7396 10.5734 10.8375 11.5428 11.5651 11.9860 12.1405 k = 0.3590-0.1302-0.0609 ( 4105 PWs) bands (ev): -16.1366 -16.1352 -15.1131 -15.1053 -14.5121 -14.5068 -14.0176 -14.0141 -13.8069 -13.8038 -13.5494 -13.5413 -5.6651 -5.6585 -4.7869 -4.7792 -3.1826 -3.1606 -2.7045 -2.6959 -2.3416 -2.3166 -1.2105 -1.1460 -0.6777 -0.6522 -0.1245 -0.0612 0.2027 0.2770 0.6622 0.7135 1.3523 1.4037 1.5283 1.6044 2.2484 2.2717 2.3899 2.4290 2.4710 2.4962 2.9154 2.9238 3.0677 3.0738 3.2917 3.3156 3.4726 3.5144 7.8666 8.3040 9.3607 9.7257 10.5879 10.8433 11.5628 11.5859 11.9801 12.1290 k = 0.3718-0.1348-0.0631 ( 4107 PWs) bands (ev): -16.1221 -16.1208 -15.1166 -15.1092 -14.5204 -14.5154 -14.0176 -14.0144 -13.8073 -13.8044 -13.5553 -13.5475 -5.6815 -5.6752 -4.7844 -4.7772 -3.1762 -3.1555 -2.6964 -2.6885 -2.3341 -2.3100 -1.1805 -1.1221 -0.6822 -0.6603 -0.1252 -0.0628 0.1951 0.2708 0.6463 0.6939 1.3421 1.3918 1.5117 1.5892 2.2368 2.2589 2.3966 2.4348 2.4698 2.4950 2.9162 2.9240 3.0726 3.0784 3.3048 3.3239 3.5013 3.5444 7.8789 8.2898 9.3658 9.7108 10.6024 10.8463 11.5815 11.6055 11.9748 12.1170 k = 0.3846-0.1395-0.0653 ( 4106 PWs) bands (ev): -16.1084 -16.1071 -15.1202 -15.1131 -14.5284 -14.5237 -14.0172 -14.0142 -13.8077 -13.8049 -13.5607 -13.5534 -5.6965 -5.6907 -4.7819 -4.7753 -3.1712 -3.1521 -2.6891 -2.6819 -2.3256 -2.3027 -1.1509 -1.0988 -0.6869 -0.6677 -0.1251 -0.0642 0.1878 0.2638 0.6323 0.6760 1.3309 1.3776 1.4985 1.5745 2.2262 2.2469 2.4028 2.4395 2.4693 2.4939 2.9170 2.9243 3.0769 3.0822 3.3155 3.3310 3.5306 3.5731 7.8929 8.2738 9.3733 9.6950 10.6168 10.8464 11.5989 11.6239 11.9701 12.1045 k = 0.3974-0.1441-0.0674 ( 4104 PWs) bands (ev): -16.0956 -16.0944 -15.1237 -15.1172 -14.5360 -14.5316 -14.0164 -14.0137 -13.8081 -13.8054 -13.5657 -13.5590 -5.7102 -5.7049 -4.7795 -4.7735 -3.1674 -3.1499 -2.6829 -2.6763 -2.3163 -2.2951 -1.1221 -1.0765 -0.6920 -0.6744 -0.1241 -0.0654 0.1809 0.2557 0.6203 0.6598 1.3188 1.3612 1.4890 1.5606 2.2168 2.2359 2.4086 2.4430 2.4698 2.4929 2.9178 2.9245 3.0807 3.0854 3.3243 3.3369 3.5592 3.5998 7.9085 8.2562 9.3829 9.6782 10.6313 10.8438 11.6152 11.6410 11.9663 12.0916 k = 0.4103-0.1488-0.0696 ( 4100 PWs) bands (ev): -16.0838 -16.0827 -15.1270 -15.1211 -14.5429 -14.5389 -14.0154 -14.0130 -13.8083 -13.8059 -13.5702 -13.5641 -5.7225 -5.7177 -4.7772 -4.7718 -3.1645 -3.1489 -2.6776 -2.6717 -2.3066 -2.2873 -1.0948 -1.0555 -0.6975 -0.6804 -0.1221 -0.0664 0.1746 0.2468 0.6102 0.6453 1.3064 1.3434 1.4828 1.5477 2.2086 2.2259 2.4138 2.4449 2.4713 2.4922 2.9187 2.9248 3.0838 3.0881 3.3316 3.3420 3.5863 3.6238 7.9257 8.2370 9.3947 9.6605 10.6460 10.8385 11.6303 11.6564 11.9635 12.0782 k = 0.4231-0.1534-0.0718 ( 4099 PWs) bands (ev): -16.0731 -16.0722 -15.1301 -15.1249 -14.5491 -14.5456 -14.0143 -14.0121 -13.8086 -13.8064 -13.5741 -13.5687 -5.7331 -5.7290 -4.7750 -4.7703 -3.1623 -3.1488 -2.6732 -2.6681 -2.2967 -2.2797 -1.0695 -1.0363 -0.7031 -0.6860 -0.1190 -0.0673 0.1692 0.2370 0.6020 0.6325 1.2942 1.3252 1.4794 1.5360 2.2018 2.2169 2.4185 2.4455 2.4735 2.4915 2.9196 2.9250 3.0865 3.0902 3.3378 3.3462 3.6114 3.6449 7.9442 8.2165 9.4085 9.6419 10.6608 10.8310 11.6443 11.6700 11.9619 12.0647 k = 0.4359-0.1580-0.0740 ( 4102 PWs) bands (ev): -16.0638 -16.0630 -15.1329 -15.1284 -14.5544 -14.5514 -14.0131 -14.0113 -13.8087 -13.8068 -13.5774 -13.5728 -5.7422 -5.7387 -4.7730 -4.7691 -3.1607 -3.1493 -2.6697 -2.6654 -2.2871 -2.2726 -1.0467 -1.0193 -0.7084 -0.6913 -0.1149 -0.0683 0.1651 0.2264 0.5958 0.6215 1.2828 1.3078 1.4780 1.5256 2.1962 2.2091 2.4226 2.4451 2.4762 2.4910 2.9205 2.9251 3.0888 3.0919 3.3429 3.3497 3.6339 3.6627 7.9641 8.1948 9.4239 9.6225 10.6758 10.8214 11.6571 11.6815 11.9618 12.0510 k = 0.4487-0.1627-0.0761 ( 4102 PWs) bands (ev): -16.0560 -16.0553 -15.1352 -15.1316 -14.5588 -14.5564 -14.0120 -14.0105 -13.8088 -13.8072 -13.5801 -13.5763 -5.7497 -5.7468 -4.7713 -4.7681 -3.1595 -3.1502 -2.6669 -2.6634 -2.2782 -2.2664 -1.0268 -1.0048 -0.7128 -0.6967 -0.1097 -0.0697 0.1626 0.2154 0.5914 0.6121 1.2728 1.2921 1.4783 1.5164 2.1919 2.2025 2.4262 2.4440 2.4789 2.4905 2.9214 2.9251 3.0906 3.0931 3.3472 3.3524 3.6533 3.6770 7.9851 8.1722 9.4409 9.6025 10.6911 10.8101 11.6686 11.6904 11.9633 12.0374 k = 0.4615-0.1673-0.0783 ( 4108 PWs) bands (ev): -16.0497 -16.0492 -15.1370 -15.1342 -14.5623 -14.5604 -14.0110 -14.0099 -13.8088 -13.8076 -13.5821 -13.5792 -5.7554 -5.7532 -4.7698 -4.7674 -3.1584 -3.1514 -2.6648 -2.6622 -2.2705 -2.2616 -1.0102 -0.9935 -0.7160 -0.7020 -0.1038 -0.0719 0.1622 0.2044 0.5887 0.6043 1.2647 1.2787 1.4798 1.5083 2.1889 2.1970 2.4294 2.4426 2.4815 2.4899 2.9222 2.9251 3.0921 3.0940 3.3506 3.3545 3.6695 3.6876 8.0071 8.1489 9.4592 9.5820 10.7066 10.7973 11.6787 11.6967 11.9667 12.0241 k = 0.4744-0.1720-0.0805 ( 4111 PWs) bands (ev): -16.0451 -16.0448 -15.1382 -15.1364 -14.5647 -14.5634 -14.0102 -14.0094 -13.8088 -13.8079 -13.5834 -13.5814 -5.7594 -5.7580 -4.7686 -4.7670 -3.1574 -3.1527 -2.6632 -2.6614 -2.2643 -2.2583 -0.9971 -0.9858 -0.7175 -0.7071 -0.0974 -0.0751 0.1642 0.1936 0.5876 0.5981 1.2592 1.2683 1.4823 1.5012 2.1872 2.1926 2.4322 2.4409 2.4837 2.4892 2.9230 2.9249 3.0932 3.0945 3.3532 3.3557 3.6821 3.6943 8.0299 8.1252 9.4785 9.5611 10.7222 10.7834 11.6873 11.7001 11.9722 12.0114 k = 0.4872-0.1766-0.0827 ( 4115 PWs) bands (ev): -16.0423 -16.0421 -15.1388 -15.1379 -14.5660 -14.5653 -14.0096 -14.0092 -13.8087 -13.8082 -13.5840 -13.5830 -5.7617 -5.7610 -4.7678 -4.7670 -3.1563 -3.1539 -2.6621 -2.6612 -2.2599 -2.2568 -0.9880 -0.9822 -0.7172 -0.7116 -0.0910 -0.0795 0.1686 0.1837 0.5881 0.5933 1.2565 1.2610 1.4857 1.4952 2.1867 2.1895 2.4347 2.4391 2.4856 2.4883 2.9236 2.9246 3.0940 3.0947 3.3550 3.3562 3.6910 3.6971 8.0533 8.1012 9.4986 9.5401 10.7379 10.7687 11.6940 11.7007 11.9796 11.9995 k = 0.5000-0.1813-0.0848 ( 4104 PWs) bands (ev): -16.0413 -16.0413 -15.1387 -15.1387 -14.5662 -14.5662 -14.0093 -14.0093 -13.8085 -13.8085 -13.5838 -13.5838 -5.7622 -5.7622 -4.7672 -4.7672 -3.1552 -3.1552 -2.6614 -2.6614 -2.2574 -2.2574 -0.9830 -0.9830 -0.7152 -0.7152 -0.0849 -0.0849 0.1752 0.1752 0.5900 0.5900 1.2571 1.2571 1.4900 1.4900 2.1875 2.1875 2.4370 2.4370 2.4871 2.4871 2.9242 2.9242 3.0945 3.0945 3.3560 3.3560 3.6960 3.6960 8.0771 8.0771 9.5192 9.5192 10.7534 10.7534 11.6986 11.6986 11.9888 11.9888 k = 0.5000-0.1813 0.2622 ( 4088 PWs) bands (ev): -15.9971 -15.9971 -15.1162 -15.1162 -14.7693 -14.7693 -13.9836 -13.9836 -13.7628 -13.7628 -13.5051 -13.5051 -5.9886 -5.9886 -4.3570 -4.3570 -2.8645 -2.8645 -2.8000 -2.8000 -2.4963 -2.4963 -1.3229 -1.3229 -0.6786 -0.6786 -0.0124 -0.0124 0.1915 0.1915 0.4387 0.4387 1.1275 1.1275 1.8836 1.8836 2.1461 2.1461 2.2904 2.2904 2.6395 2.6395 3.0374 3.0374 3.1483 3.1483 3.3351 3.3351 3.5507 3.5507 8.1415 8.1415 9.6016 9.6016 10.9512 10.9512 11.5753 11.5753 11.8274 11.8274 k = 0.4884-0.1771 0.2561 ( 4087 PWs) bands (ev): -15.9979 -15.9977 -15.1177 -15.1167 -14.7679 -14.7666 -13.9839 -13.9835 -13.7630 -13.7628 -13.5053 -13.5050 -5.9880 -5.9871 -4.3582 -4.3576 -2.8699 -2.8638 -2.8030 -2.7964 -2.4962 -2.4924 -1.3253 -1.3211 -0.6832 -0.6737 -0.0303 -0.0064 0.1854 0.2065 0.4375 0.4428 1.1255 1.1317 1.8828 1.8850 2.1445 2.1485 2.2891 2.2909 2.6395 2.6413 3.0350 3.0381 3.1467 3.1478 3.3346 3.3353 3.5473 3.5531 8.1270 8.1550 9.5937 9.6088 10.9441 10.9565 11.5740 11.5763 11.8270 11.8296 k = 0.4767-0.1729 0.2500 ( 4088 PWs) bands (ev): -16.0002 -15.9998 -15.1211 -15.1192 -14.7622 -14.7597 -13.9846 -13.9838 -13.7634 -13.7628 -13.5054 -13.5048 -5.9854 -5.9836 -4.3611 -4.3600 -2.8792 -2.8680 -2.8048 -2.7929 -2.4920 -2.4846 -1.3284 -1.3199 -0.6874 -0.6683 -0.0565 -0.0137 0.1890 0.2269 0.4392 0.4499 1.1258 1.1381 1.8827 1.8870 2.1437 2.1517 2.2870 2.2907 2.6413 2.6449 3.0309 3.0370 3.1433 3.1454 3.3339 3.3354 3.5429 3.5543 8.1116 8.1675 9.5851 9.6151 10.9350 10.9598 11.5723 11.5769 11.8284 11.8336 k = 0.4651-0.1686 0.2439 ( 4087 PWs) bands (ev): -16.0040 -16.0033 -15.1260 -15.1233 -14.7527 -14.7491 -13.9856 -13.9845 -13.7638 -13.7630 -13.5055 -13.5046 -5.9808 -5.9782 -4.3658 -4.3641 -2.8916 -2.8768 -2.8055 -2.7902 -2.4839 -2.4737 -1.3323 -1.3193 -0.6910 -0.6625 -0.0874 -0.0313 0.1988 0.2493 0.4439 0.4600 1.1284 1.1468 1.8834 1.8896 2.1436 2.1555 2.2844 2.2899 2.6449 2.6500 3.0252 3.0342 3.1379 3.1410 3.3330 3.3353 3.5375 3.5544 8.0955 8.1788 9.5759 9.6207 10.9241 10.9613 11.5703 11.5769 11.8316 11.8392 k = 0.4535-0.1644 0.2378 ( 4093 PWs) bands (ev): -16.0092 -16.0082 -15.1321 -15.1287 -14.7397 -14.7352 -13.9870 -13.9854 -13.7644 -13.7634 -13.5056 -13.5043 -5.9741 -5.9707 -4.3722 -4.3700 -2.9063 -2.8890 -2.8055 -2.7883 -2.4726 -2.4603 -1.3371 -1.3192 -0.6940 -0.6560 -0.1204 -0.0550 0.2106 0.2714 0.4517 0.4728 1.1333 1.1577 1.8849 1.8928 2.1440 2.1599 2.2812 2.2887 2.6500 2.6565 3.0181 3.0298 3.1307 3.1345 3.3321 3.3349 3.5314 3.5533 8.0787 8.1888 9.5661 9.6256 10.9113 10.9609 11.5679 11.5764 11.8366 11.8464 k = 0.4419-0.1602 0.2317 ( 4090 PWs) bands (ev): -16.0157 -16.0145 -15.1389 -15.1351 -14.7236 -14.7185 -13.9887 -13.9867 -13.7652 -13.7640 -13.5055 -13.5040 -5.9655 -5.9613 -4.3802 -4.3775 -2.9229 -2.9038 -2.8054 -2.7872 -2.4586 -2.4450 -1.3428 -1.3198 -0.6961 -0.6489 -0.1542 -0.0816 0.2215 0.2915 0.4626 0.4880 1.1406 1.1709 1.8873 1.8967 2.1448 2.1646 2.2777 2.2873 2.6563 2.6639 3.0097 3.0239 3.1217 3.1260 3.3311 3.3343 3.5246 3.5511 8.0615 8.1975 9.5560 9.6299 10.8967 10.9587 11.5652 11.5754 11.8430 11.8548 k = 0.4302-0.1560 0.2256 ( 4087 PWs) bands (ev): -16.0235 -16.0221 -15.1462 -15.1420 -14.7051 -14.6994 -13.9906 -13.9883 -13.7661 -13.7647 -13.5054 -13.5036 -5.9550 -5.9499 -4.3897 -4.3866 -2.9408 -2.9204 -2.8055 -2.7868 -2.4428 -2.4284 -1.3494 -1.3210 -0.6972 -0.6407 -0.1877 -0.1091 0.2305 0.3086 0.4764 0.5050 1.1505 1.1862 1.8906 1.9013 2.1458 2.1693 2.2743 2.2861 2.6634 2.6720 3.0001 3.0167 3.1109 3.1155 3.3299 3.3334 3.5172 3.5478 8.0439 8.2048 9.5458 9.6338 10.8805 10.9547 11.5621 11.5736 11.8509 11.8644 k = 0.4186-0.1518 0.2195 ( 4091 PWs) bands (ev): -16.0326 -16.0310 -15.1535 -15.1490 -14.6845 -14.6784 -13.9929 -13.9903 -13.7671 -13.7656 -13.5051 -13.5030 -5.9426 -5.9367 -4.4007 -4.3973 -2.9596 -2.9383 -2.8059 -2.7870 -2.4259 -2.4113 -1.3571 -1.3229 -0.6969 -0.6315 -0.2201 -0.1364 0.2370 0.3223 0.4924 0.5230 1.1629 1.2036 1.8949 1.9067 2.1467 2.1737 2.2712 2.2853 2.6710 2.6802 2.9897 3.0084 3.0986 3.1031 3.3286 3.3323 3.5093 3.5433 8.0261 8.2107 9.5356 9.6374 10.8626 10.9489 11.5585 11.5711 11.8600 11.8749 k = 0.4070-0.1476 0.2134 ( 4090 PWs) bands (ev): -16.0428 -16.0410 -15.1605 -15.1558 -14.6622 -14.6558 -13.9956 -13.9926 -13.7684 -13.7667 -13.5046 -13.5023 -5.9283 -5.9217 -4.4130 -4.4094 -2.9791 -2.9573 -2.8066 -2.7876 -2.4085 -2.3940 -1.3658 -1.3254 -0.6950 -0.6209 -0.2509 -0.1627 0.2413 0.3328 0.5095 0.5414 1.1778 1.2229 1.9000 1.9128 2.1474 2.1773 2.2689 2.2852 2.6786 2.6883 2.9788 2.9993 3.0848 3.0892 3.3271 3.3309 3.5010 3.5377 8.0083 8.2153 9.5257 9.6408 10.8433 10.9414 11.5544 11.5678 11.8700 11.8861 k = 0.3953-0.1433 0.2073 ( 4086 PWs) bands (ev): -16.0541 -16.0521 -15.1671 -15.1623 -14.6387 -14.6321 -13.9984 -13.9952 -13.7698 -13.7679 -13.5039 -13.5013 -5.9122 -5.9049 -4.4266 -4.4227 -2.9991 -2.9770 -2.8076 -2.7886 -2.3911 -2.3771 -1.3754 -1.3286 -0.6914 -0.6089 -0.2797 -0.1875 0.2438 0.3408 0.5269 0.5597 1.1951 1.2438 1.9058 1.9197 2.1475 2.1797 2.2680 2.2861 2.6855 2.6956 2.9675 2.9897 3.0698 3.0740 3.3252 3.3291 3.4925 3.5312 7.9905 8.2186 9.5162 9.6442 10.8228 10.9322 11.5495 11.5635 11.8809 11.8978 k = 0.3837-0.1391 0.2012 ( 4089 PWs) bands (ev): -16.0664 -16.0642 -15.1731 -15.1682 -14.6143 -14.6076 -14.0016 -13.9981 -13.7713 -13.7694 -13.5029 -13.5001 -5.8944 -5.8865 -4.4412 -4.4373 -3.0194 -2.9973 -2.8090 -2.7899 -2.3744 -2.3610 -1.3857 -1.3325 -0.6859 -0.5952 -0.3061 -0.2103 0.2446 0.3465 0.5436 0.5775 1.2147 1.2660 1.9120 1.9273 2.1470 2.1805 2.2688 2.2882 2.6913 2.7017 2.9562 2.9798 3.0538 3.0582 3.3227 3.3269 3.4838 3.5237 7.9729 8.2207 9.5073 9.6478 10.8010 10.9214 11.5437 11.5583 11.8925 11.9098 k = 0.3721-0.1349 0.1951 ( 4088 PWs) bands (ev): -16.0795 -16.0771 -15.1783 -15.1735 -14.5892 -14.5826 -14.0050 -14.0012 -13.7730 -13.7711 -13.5016 -13.4987 -5.8750 -5.8665 -4.4568 -4.4528 -3.0399 -3.0181 -2.8107 -2.7914 -2.3587 -2.3461 -1.3966 -1.3370 -0.6783 -0.5800 -0.3298 -0.2309 0.2443 0.3505 0.5592 0.5947 1.2362 1.2891 1.9183 1.9356 2.1457 2.1796 2.2717 2.2917 2.6952 2.7059 2.9454 2.9702 3.0371 3.0425 3.3194 3.3241 3.4751 3.5154 7.9557 8.2216 9.4992 9.6516 10.7783 10.9089 11.5369 11.5518 11.9046 11.9222 k = 0.3605-0.1307 0.1890 ( 4092 PWs) bands (ev): -16.0935 -16.0909 -15.1828 -15.1779 -14.5638 -14.5573 -14.0085 -14.0046 -13.7748 -13.7729 -13.5001 -13.4969 -5.8540 -5.8450 -4.4732 -4.4693 -3.0607 -3.0391 -2.8126 -2.7931 -2.3446 -2.3328 -1.4077 -1.3419 -0.6686 -0.5635 -0.3503 -0.2491 0.2429 0.3531 0.5734 0.6112 1.2592 1.3127 1.9244 1.9443 2.1436 2.1773 2.2765 2.2966 2.6968 2.7076 2.9351 2.9611 3.0201 3.0274 3.3149 3.3207 3.4664 3.5063 7.9391 8.2217 9.4920 9.6557 10.7548 10.8949 11.5289 11.5441 11.9170 11.9346 k = 0.3488-0.1265 0.1830 ( 4089 PWs) bands (ev): -16.1080 -16.1053 -15.1865 -15.1815 -14.5383 -14.5321 -14.0121 -14.0081 -13.7768 -13.7748 -13.4982 -13.4949 -5.8316 -5.8221 -4.4903 -4.4864 -3.0815 -3.0604 -2.8148 -2.7950 -2.3323 -2.3214 -1.4186 -1.3471 -0.6568 -0.5461 -0.3673 -0.2647 0.2408 0.3546 0.5862 0.6270 1.2833 1.3363 1.9296 1.9529 2.1408 2.1740 2.2831 2.3029 2.6955 2.7064 2.9257 2.9529 3.0035 3.0137 3.3090 3.3165 3.4580 3.4966 7.9232 8.2210 9.4860 9.6603 10.7307 10.8794 11.5196 11.5350 11.9297 11.9472 k = 0.3372-0.1223 0.1769 ( 4086 PWs) bands (ev): -16.1231 -16.1203 -15.1893 -15.1842 -14.5130 -14.5071 -14.0157 -14.0116 -13.7788 -13.7769 -13.4959 -13.4925 -5.8078 -5.7979 -4.5079 -4.5041 -3.1025 -3.0819 -2.8173 -2.7970 -2.3223 -2.3122 -1.4291 -1.3525 -0.6432 -0.5287 -0.3796 -0.2775 0.2382 0.3549 0.5978 0.6422 1.3081 1.3595 1.9337 1.9610 2.1374 2.1703 2.2912 2.3107 2.6911 2.7019 2.9171 2.9455 2.9882 3.0018 3.3014 3.3112 3.4501 3.4865 7.9083 8.2198 9.4812 9.6653 10.7061 10.8625 11.5090 11.5245 11.9425 11.9598 k = 0.3256-0.1180 0.1708 ( 4088 PWs) bands (ev): -16.1386 -16.1357 -15.1912 -15.1861 -14.4883 -14.4828 -14.0192 -14.0151 -13.7810 -13.7791 -13.4934 -13.4898 -5.7829 -5.7726 -4.5258 -4.5222 -3.1237 -3.1035 -2.8200 -2.7992 -2.3148 -2.3055 -1.4387 -1.3577 -0.6279 -0.5129 -0.3860 -0.2872 0.2353 0.3544 0.6085 0.6570 1.3330 1.3819 1.9360 1.9678 2.1339 2.1667 2.3005 2.3198 2.6836 2.6941 2.9090 2.9385 2.9753 2.9923 3.2919 3.3044 3.4425 3.4761 7.8944 8.2183 9.4777 9.6708 10.6813 10.8443 11.4968 11.5124 11.9554 11.9726 k = 0.3140-0.1138 0.1647 ( 4088 PWs) bands (ev): -16.1545 -16.1515 -15.1923 -15.1871 -14.4643 -14.4593 -14.0223 -14.0184 -13.7831 -13.7813 -13.4905 -13.4868 -5.7569 -5.7463 -4.5438 -4.5405 -3.1449 -3.1253 -2.8229 -2.8015 -2.3101 -2.3015 -1.4471 -1.3624 -0.6114 -0.5009 -0.3844 -0.2937 0.2322 0.3531 0.6186 0.6716 1.3576 1.4031 1.9360 1.9724 2.1307 2.1636 2.3109 2.3301 2.6732 2.6835 2.9014 2.9307 2.9662 2.9854 3.2804 3.2960 3.4355 3.4655 7.8819 8.2166 9.4757 9.6768 10.6564 10.8249 11.4831 11.4987 11.9682 11.9854 k = 0.3023-0.1096 0.1586 ( 4095 PWs) bands (ev): -16.1706 -16.1675 -15.1925 -15.1872 -14.4415 -14.4371 -14.0250 -14.0213 -13.7853 -13.7835 -13.4873 -13.4835 -5.7300 -5.7191 -4.5618 -4.5587 -3.1662 -3.1471 -2.8259 -2.8039 -2.3084 -2.3003 -1.4540 -1.3665 -0.5942 -0.4940 -0.3738 -0.2966 0.2290 0.3510 0.6285 0.6861 1.3815 1.4226 1.9335 1.9739 2.1282 2.1614 2.3222 2.3415 2.6606 2.6706 2.8939 2.9215 2.9615 2.9811 3.2667 3.2856 3.4290 3.4551 7.8709 8.2150 9.4752 9.6833 10.6316 10.8046 11.4678 11.4833 11.9808 11.9983 k = 0.2907-0.1054 0.1525 ( 4094 PWs) bands (ev): -16.1868 -16.1837 -15.1920 -15.1866 -14.4202 -14.4164 -14.0269 -14.0235 -13.7875 -13.7857 -13.4838 -13.4799 -5.7024 -5.6913 -4.5796 -4.5768 -3.1877 -3.1689 -2.8291 -2.8063 -2.3099 -2.3020 -1.4590 -1.3697 -0.5768 -0.4914 -0.3554 -0.2957 0.2260 0.3484 0.6387 0.7009 1.4042 1.4403 1.9281 1.9715 2.1271 2.1599 2.3342 2.3537 2.6466 2.6565 2.8867 2.9117 2.9603 2.9791 3.2509 3.2730 3.4230 3.4450 7.8615 8.2136 9.4762 9.6902 10.6070 10.7833 11.4509 11.4663 11.9932 12.0113 k = 0.2791-0.1012 0.1464 ( 4092 PWs) bands (ev): -16.2030 -16.1999 -15.1906 -15.1851 -14.4008 -14.3976 -14.0277 -14.0248 -13.7896 -13.7879 -13.4800 -13.4760 -5.6742 -5.6631 -4.5969 -4.5944 -3.2091 -3.1907 -2.8325 -2.8089 -2.3147 -2.3067 -1.4620 -1.3717 -0.5599 -0.4910 -0.3319 -0.2906 0.2233 0.3452 0.6493 0.7162 1.4254 1.4558 1.9197 1.9648 2.1276 2.1594 2.3466 2.3662 2.6320 2.6420 2.8799 2.9020 2.9611 2.9790 3.2332 3.2582 3.4172 3.4351 7.8540 8.2127 9.4790 9.6976 10.5829 10.7614 11.4325 11.4477 12.0053 12.0245 k = 0.2674-0.0970 0.1403 ( 4094 PWs) bands (ev): -16.2192 -16.2160 -15.1886 -15.1829 -14.3837 -14.3809 -14.0273 -14.0249 -13.7916 -13.7899 -13.4760 -13.4720 -5.6458 -5.6346 -4.6136 -4.6113 -3.2305 -3.2124 -2.8359 -2.8115 -2.3227 -2.3141 -1.4628 -1.3725 -0.5441 -0.4910 -0.3058 -0.2809 0.2209 0.3415 0.6607 0.7322 1.4449 1.4689 1.9084 1.9540 2.1296 2.1596 2.3589 2.3787 2.6180 2.6281 2.8737 2.8930 2.9629 2.9801 3.2136 3.2409 3.4115 3.4257 7.8483 8.2123 9.4834 9.7054 10.5593 10.7390 11.4126 11.4275 12.0169 12.0378 k = 0.2558-0.0928 0.1342 ( 4094 PWs) bands (ev): -16.2352 -16.2320 -15.1858 -15.1800 -14.3694 -14.3667 -14.0252 -14.0235 -13.7935 -13.7919 -13.4718 -13.4677 -5.6172 -5.6060 -4.6294 -4.6274 -3.2519 -3.2341 -2.8395 -2.8141 -2.3340 -2.3244 -1.4615 -1.3719 -0.5298 -0.4903 -0.2803 -0.2648 0.2189 0.3375 0.6733 0.7493 1.4623 1.4793 1.8943 1.9393 2.1329 2.1606 2.3707 2.3905 2.6052 2.6158 2.8683 2.8851 2.9648 2.9821 3.1926 3.2215 3.4058 3.4166 7.8448 8.2125 9.4895 9.7137 10.5364 10.7163 11.3912 11.4059 12.0281 12.0511 k = 0.2442-0.0885 0.1281 ( 4090 PWs) bands (ev): -16.2509 -16.2478 -15.1824 -15.1765 -14.3581 -14.3551 -14.0214 -14.0202 -13.7952 -13.7937 -13.4674 -13.4633 -5.5889 -5.5778 -4.6441 -4.6424 -3.2732 -3.2556 -2.8430 -2.8167 -2.3482 -2.3373 -1.4580 -1.3700 -0.5176 -0.4881 -0.2588 -0.2405 0.2176 0.3333 0.6872 0.7677 1.4775 1.4871 1.8779 1.9214 2.1371 2.1623 2.3811 2.4007 2.5948 2.6060 2.8637 2.8783 2.9663 2.9844 3.1705 3.2001 3.4000 3.4079 7.8433 8.2133 9.4973 9.7224 10.5144 10.6935 11.3684 11.3830 12.0389 12.0643 k = 0.2326-0.0843 0.1220 ( 4093 PWs) bands (ev): -16.2664 -16.2633 -15.1784 -15.1724 -14.3501 -14.3464 -14.0159 -14.0150 -13.7968 -13.7953 -13.4629 -13.4588 -5.5610 -5.5500 -4.6575 -4.6560 -3.2943 -3.2768 -2.8467 -2.8192 -2.3652 -2.3528 -1.4526 -1.3666 -0.5075 -0.4837 -0.2381 -0.2127 0.2168 0.3289 0.7026 0.7878 1.4896 1.4927 1.8594 1.9008 2.1420 2.1646 2.3894 2.4086 2.5874 2.5993 2.8597 2.8726 2.9667 2.9866 3.1480 3.1771 3.3939 3.3994 7.8441 8.2147 9.5069 9.7314 10.4932 10.6711 11.3440 11.3591 12.0491 12.0773 k = 0.2209-0.0801 0.1159 ( 4092 PWs) bands (ev): -16.2815 -16.2785 -15.1738 -15.1677 -14.3452 -14.3406 -14.0088 -14.0076 -13.7982 -13.7968 -13.4582 -13.4542 -5.5338 -5.5230 -4.6693 -4.6679 -3.3150 -3.2978 -2.8503 -2.8217 -2.3847 -2.3705 -1.4453 -1.3619 -0.4994 -0.4772 -0.2162 -0.1848 0.2167 0.3245 0.7197 0.8097 1.4934 1.5014 1.8394 1.8782 2.1474 2.1675 2.3950 2.4134 2.5836 2.5961 2.8561 2.8679 2.9653 2.9881 3.1261 3.1532 3.3876 3.3911 7.8471 8.2168 9.5182 9.7409 10.4731 10.6491 11.3181 11.3343 12.0589 12.0900 k = 0.2093-0.0759 0.1098 ( 4093 PWs) bands (ev): -16.2961 -16.2932 -15.1687 -15.1626 -14.3431 -14.3377 -14.0000 -13.9984 -13.7995 -13.7980 -13.4536 -13.4495 -5.5077 -5.4972 -4.6793 -4.6780 -3.3354 -3.3184 -2.8539 -2.8241 -2.4063 -2.3904 -1.4363 -1.3560 -0.4923 -0.4692 -0.1931 -0.1580 0.2173 0.3200 0.7386 0.8337 1.4928 1.5092 1.8186 1.8542 2.1533 2.1712 2.3977 2.4148 2.5834 2.5965 2.8525 2.8639 2.9613 2.9879 3.1059 3.1296 3.3808 3.3831 7.8522 8.2193 9.5311 9.7507 10.4540 10.6279 11.2907 11.3088 12.0681 12.1023 k = 0.1977-0.0717 0.1037 ( 4094 PWs) bands (ev): -16.3103 -16.3075 -15.1632 -15.1570 -14.3437 -14.3376 -13.9898 -13.9877 -13.8004 -13.7990 -13.4489 -13.4449 -5.4829 -5.4727 -4.6873 -4.6860 -3.3554 -3.3386 -2.8574 -2.8263 -2.4297 -2.4120 -1.4259 -1.3490 -0.4851 -0.4603 -0.1696 -0.1331 0.2186 0.3157 0.7593 0.8601 1.4894 1.5147 1.7974 1.8297 2.1595 2.1754 2.3975 2.4132 2.5861 2.5998 2.8482 2.8603 2.9537 2.9849 3.0893 3.1079 3.3735 3.3755 7.8595 8.2223 9.5457 9.7609 10.4360 10.6079 11.2618 11.2828 12.0767 12.1141 k = 0.1860-0.0675 0.0976 ( 4092 PWs) bands (ev): -16.3239 -16.3211 -15.1573 -15.1511 -14.3465 -14.3398 -13.9784 -13.9760 -13.8012 -13.7998 -13.4442 -13.4403 -5.4597 -5.4500 -4.6931 -4.6917 -3.3748 -3.3583 -2.8608 -2.8283 -2.4547 -2.4351 -1.4143 -1.3410 -0.4773 -0.4511 -0.1463 -0.1103 0.2204 0.3115 0.7816 0.8887 1.4834 1.5178 1.7766 1.8053 2.1661 2.1804 2.3948 2.4090 2.5907 2.6051 2.8424 2.8565 2.9426 2.9774 3.0774 3.0904 3.3657 3.3682 7.8689 8.2254 9.5617 9.7714 10.4190 10.5892 11.2317 11.2563 12.0848 12.1252 k = 0.1744-0.0632 0.0915 ( 4097 PWs) bands (ev): -16.3369 -16.3343 -15.1512 -15.1450 -14.3511 -14.3440 -13.9663 -13.9637 -13.8016 -13.8002 -13.4396 -13.4358 -5.4385 -5.4291 -4.6965 -4.6951 -3.3935 -3.3774 -2.8640 -2.8301 -2.4810 -2.4594 -1.4018 -1.3323 -0.4688 -0.4416 -0.1239 -0.0900 0.2227 0.3075 0.8056 0.9196 1.4751 1.5185 1.7568 1.7820 2.1729 2.1858 2.3903 2.4031 2.5958 2.6112 2.8336 2.8513 2.9291 2.9650 3.0706 3.0788 3.3579 3.3609 7.8802 8.2286 9.5792 9.7822 10.4032 10.5722 11.2004 11.2295 12.0923 12.1356 k = 0.1628-0.0590 0.0854 ( 4096 PWs) bands (ev): -16.3492 -16.3467 -15.1447 -15.1386 -14.3572 -14.3498 -13.9538 -13.9511 -13.8018 -13.8004 -13.4351 -13.4314 -5.4193 -5.4105 -4.6974 -4.6959 -3.4115 -3.3958 -2.8670 -2.8316 -2.5082 -2.4846 -1.3885 -1.3230 -0.4594 -0.4318 -0.1028 -0.0722 0.2253 0.3036 0.8308 0.9525 1.4648 1.5171 1.7388 1.7605 2.1799 2.1917 2.3843 2.3958 2.5999 2.6168 2.8208 2.8431 2.9161 2.9496 3.0682 3.0733 3.3501 3.3536 7.8934 8.2316 9.5979 9.7934 10.3885 10.5572 11.1682 11.2023 12.0993 12.1451 k = 0.1512-0.0548 0.0793 ( 4090 PWs) bands (ev): -16.3608 -16.3585 -15.1381 -15.1321 -14.3643 -14.3568 -13.9412 -13.9386 -13.8016 -13.8002 -13.4307 -13.4272 -5.4024 -5.3941 -4.6959 -4.6943 -3.4287 -3.4135 -2.8698 -2.8328 -2.5360 -2.5103 -1.3748 -1.3134 -0.4493 -0.4219 -0.0836 -0.0567 0.2281 0.2999 0.8570 0.9870 1.4527 1.5137 1.7233 1.7417 2.1871 2.1979 2.3773 2.3878 2.6016 2.6208 2.8039 2.8302 2.9059 2.9351 3.0690 3.0723 3.3424 3.3463 7.9082 8.2342 9.6177 9.8047 10.3749 10.5442 11.1354 11.1750 12.1058 12.1537 k = 0.1395-0.0506 0.0732 ( 4086 PWs) bands (ev): -16.3718 -16.3696 -15.1314 -15.1256 -14.3721 -14.3646 -13.9290 -13.9266 -13.8011 -13.7996 -13.4265 -13.4232 -5.3878 -5.3800 -4.6919 -4.6903 -3.4450 -3.4304 -2.8722 -2.8336 -2.5641 -2.5364 -1.3607 -1.3035 -0.4384 -0.4118 -0.0665 -0.0435 0.2309 0.2964 0.8836 1.0224 1.4394 1.5088 1.7109 1.7262 2.1942 2.2044 2.3693 2.3791 2.5989 2.6213 2.7850 2.8122 2.8992 2.9241 3.0719 3.0743 3.3350 3.3392 7.9246 8.2361 9.6383 9.8162 10.3626 10.5333 11.1021 11.1474 12.1119 12.1613 k = 0.1279-0.0464 0.0671 ( 4085 PWs) bands (ev): -16.3819 -16.3799 -15.1248 -15.1191 -14.3804 -14.3731 -13.9175 -13.9153 -13.8002 -13.7986 -13.4224 -13.4194 -5.3755 -5.3683 -4.6858 -4.6843 -3.4602 -3.4464 -2.8742 -2.8340 -2.5923 -2.5624 -1.3466 -1.2937 -0.4270 -0.4018 -0.0518 -0.0320 0.2335 0.2928 0.9100 1.0577 1.4253 1.5031 1.7022 1.7148 2.2012 2.2109 2.3605 2.3700 2.5897 2.6165 2.7677 2.7918 2.8955 2.9167 3.0763 3.0782 3.3279 3.3322 7.9422 8.2372 9.6596 9.8276 10.3519 10.5244 11.0688 11.1199 12.1175 12.1677 k = 0.1163-0.0422 0.0610 ( 4084 PWs) bands (ev): -16.3913 -16.3894 -15.1181 -15.1127 -14.3889 -14.3818 -13.9068 -13.9048 -13.7988 -13.7972 -13.4186 -13.4158 -5.3654 -5.3588 -4.6779 -4.6764 -3.4744 -3.4614 -2.8756 -2.8338 -2.6202 -2.5881 -1.3327 -1.2841 -0.4153 -0.3917 -0.0398 -0.0220 0.2359 0.2893 0.9358 1.0916 1.4114 1.4972 1.6975 1.7081 2.2080 2.2172 2.3506 2.3604 2.5729 2.6041 2.7545 2.7733 2.8937 2.9120 3.0816 3.0834 3.3212 3.3254 7.9609 8.2373 9.6811 9.8387 10.3430 10.5174 11.0359 11.0925 12.1228 12.1730 k = 0.1047-0.0379 0.0549 ( 4086 PWs) bands (ev): -16.3998 -16.3981 -15.1117 -15.1066 -14.3972 -14.3905 -13.8972 -13.8955 -13.7971 -13.7954 -13.4151 -13.4125 -5.3573 -5.3513 -4.6685 -4.6671 -3.4875 -3.4753 -2.8765 -2.8330 -2.6477 -2.6133 -1.3190 -1.2750 -0.4034 -0.3819 -0.0303 -0.0131 0.2380 0.2856 0.9602 1.1221 1.3990 1.4917 1.6972 1.7066 2.2144 2.2233 2.3394 2.3503 2.5491 2.5831 2.7465 2.7597 2.8930 2.9087 3.0875 3.0892 3.3149 3.3190 7.9804 8.2361 9.7027 9.8493 10.3363 10.5117 11.0038 11.0653 12.1278 12.1771 k = 0.0930-0.0337 0.0488 ( 4089 PWs) bands (ev): -16.4075 -16.4059 -15.1055 -15.1008 -14.4053 -14.3990 -13.8888 -13.8874 -13.7949 -13.7932 -13.4119 -13.4095 -5.3509 -5.3456 -4.6582 -4.6570 -3.4993 -3.4881 -2.8766 -2.8315 -2.6743 -2.6375 -1.3060 -1.2665 -0.3917 -0.3725 -0.0230 -0.0055 0.2398 0.2817 0.9829 1.1471 1.3898 1.4867 1.7017 1.7108 2.2202 2.2289 2.3264 2.3393 2.5206 2.5547 2.7426 2.7515 2.8928 2.9064 3.0938 3.0953 3.3090 3.3129 8.0005 8.2336 9.7241 9.8589 10.3323 10.5069 10.9733 11.0386 12.1327 12.1800 k = 0.0814-0.0295 0.0427 ( 4093 PWs) bands (ev): -16.4143 -16.4129 -15.0998 -15.0954 -14.4129 -14.4071 -13.8816 -13.8805 -13.7924 -13.7908 -13.4089 -13.4068 -5.3460 -5.3414 -4.6475 -4.6464 -3.5098 -3.4997 -2.8759 -2.8293 -2.6998 -2.6608 -1.2936 -1.2588 -0.3803 -0.3636 -0.0172 0.0009 0.2414 0.2776 1.0035 1.1640 1.3857 1.4823 1.7114 1.7205 2.2252 2.2337 2.3111 2.3270 2.4907 2.5221 2.7413 2.7476 2.8930 2.9046 3.1000 3.1015 3.3037 3.3073 8.0209 8.2295 9.7449 9.8671 10.3314 10.5021 10.9450 11.0126 12.1373 12.1817 k = 0.0698-0.0253 0.0366 ( 4094 PWs) bands (ev): -16.4202 -16.4190 -15.0944 -15.0906 -14.4197 -14.4147 -13.8757 -13.8749 -13.7897 -13.7882 -13.4063 -13.4045 -5.3424 -5.3384 -4.6369 -4.6360 -3.5189 -3.5101 -2.8742 -2.8263 -2.7240 -2.6828 -1.2822 -1.2521 -0.3695 -0.3554 -0.0126 0.0057 0.2428 0.2735 1.0221 1.1717 1.3876 1.4783 1.7263 1.7357 2.2285 2.2371 2.2935 2.3126 2.4624 2.4888 2.7415 2.7462 2.8933 2.9031 3.1060 3.1074 3.2990 3.3023 8.0415 8.2238 9.7650 9.8734 10.3340 10.4967 10.9200 10.9875 12.1420 12.1824 k = 0.0581-0.0211 0.0305 ( 4092 PWs) bands (ev): -16.4253 -16.4243 -15.0897 -15.0863 -14.4258 -14.4214 -13.8710 -13.8704 -13.7870 -13.7856 -13.4041 -13.4025 -5.3397 -5.3364 -4.6269 -4.6261 -3.5266 -3.5191 -2.8713 -2.8224 -2.7465 -2.7033 -1.2718 -1.2466 -0.3597 -0.3482 -0.0086 0.0090 0.2441 0.2693 1.0388 1.1708 1.3947 1.4741 1.7460 1.7558 2.2281 2.2375 2.2759 2.2960 2.4382 2.4582 2.7425 2.7461 2.8938 2.9017 3.1115 3.1128 3.2950 3.2978 8.0620 8.2164 9.7840 9.8775 10.3404 10.4896 10.8992 10.9636 12.1465 12.1820 k = 0.0465-0.0169 0.0244 ( 4086 PWs) bands (ev): -16.4294 -16.4286 -15.0855 -15.0828 -14.4308 -14.4272 -13.8674 -13.8670 -13.7844 -13.7832 -13.4022 -13.4009 -5.3378 -5.3352 -4.6179 -4.6174 -3.5328 -3.5267 -2.8671 -2.8176 -2.7671 -2.7222 -1.2626 -1.2423 -0.3510 -0.3420 -0.0050 0.0109 0.2453 0.2652 1.0542 1.1635 1.4048 1.4696 1.7692 1.7795 2.2181 2.2321 2.2648 2.2794 2.4191 2.4330 2.7438 2.7465 2.8943 2.9005 3.1163 3.1175 3.2916 3.2939 8.0822 8.2074 9.8019 9.8790 10.3505 10.4802 10.8834 10.9412 12.1511 12.1807 k = 0.0349-0.0126 0.0183 ( 4089 PWs) bands (ev): -16.4326 -16.4320 -15.0821 -15.0801 -14.4347 -14.4320 -13.8647 -13.8644 -13.7821 -13.7812 -13.4006 -13.3997 -5.3365 -5.3345 -4.6105 -4.6101 -3.5376 -3.5329 -2.8615 -2.8125 -2.7850 -2.7395 -1.2547 -1.2394 -0.3438 -0.3372 -0.0017 0.0114 0.2467 0.2614 1.0686 1.1522 1.4158 1.4646 1.7940 1.8045 2.1979 2.2173 2.2620 2.2689 2.4053 2.4144 2.7451 2.7471 2.8948 2.8995 3.1204 3.1213 3.2890 3.2908 8.1017 8.1966 9.8184 9.8777 10.3639 10.4681 10.8732 10.9209 12.1556 12.1785 k = 0.0233-0.0084 0.0122 ( 4092 PWs) bands (ev): -16.4348 -16.4344 -15.0796 -15.0781 -14.4375 -14.4356 -13.8629 -13.8627 -13.7803 -13.7797 -13.3995 -13.3989 -5.3356 -5.3342 -4.6050 -4.6047 -3.5407 -3.5376 -2.8542 -2.8117 -2.7952 -2.7551 -1.2483 -1.2381 -0.3382 -0.3339 0.0015 0.0109 0.2482 0.2579 1.0826 1.1389 1.4265 1.4588 1.8178 1.8270 2.1771 2.1952 2.2622 2.2652 2.3964 2.4018 2.7462 2.7475 2.8954 2.8985 3.1234 3.1241 3.2872 3.2884 8.1205 8.1843 9.8333 9.8736 10.3801 10.4531 10.8690 10.9030 12.1600 12.1757 k = 0.0116-0.0042 0.0061 ( 4098 PWs) bands (ev): -16.4361 -16.4359 -15.0779 -15.0771 -14.4390 -14.4380 -13.8618 -13.8618 -13.7791 -13.7788 -13.3987 -13.3984 -5.3349 -5.3342 -4.6015 -4.6014 -3.5423 -3.5407 -2.8452 -2.8223 -2.7906 -2.7689 -1.2434 -1.2382 -0.3344 -0.3323 0.0045 0.0093 0.2500 0.2548 1.0965 1.1248 1.4362 1.4523 1.8365 1.8422 2.1636 2.1744 2.2630 2.2642 2.3918 2.3943 2.7470 2.7477 2.8961 2.8976 3.1254 3.1257 3.2862 3.2868 8.1383 8.1704 9.8466 9.8669 10.3982 10.4359 10.8704 10.8881 12.1643 12.1723 k = 0.0000 0.0000 0.0000 ( 4099 PWs) bands (ev): -16.4365 -16.4365 -15.0770 -15.0770 -14.4392 -14.4392 -13.8615 -13.8615 -13.7786 -13.7786 -13.3984 -13.3984 -5.3345 -5.3345 -4.6003 -4.6003 -3.5423 -3.5423 -2.8345 -2.8345 -2.7808 -2.7808 -1.2400 -1.2400 -0.3324 -0.3324 0.0071 0.0071 0.2522 0.2522 1.1106 1.1106 1.4447 1.4447 1.8457 1.8457 2.1624 2.1624 2.2637 2.2637 2.3911 2.3911 2.7475 2.7475 2.8968 2.8968 3.1262 3.1262 3.2861 3.2861 8.1550 8.1550 9.8578 9.8578 10.4172 10.4172 10.8770 10.8770 12.1685 12.1685 Writing output data file BixBO2x3.save init_run : 2.36s CPU 11.68s WALL ( 1 calls) electrons : 902.37s CPU 911.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.41s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 902.35s CPU 911.59s WALL ( 1 calls) v_of_rho : 0.23s CPU 1.02s WALL ( 1 calls) v_h : 0.05s CPU 0.23s WALL ( 1 calls) v_xc : 0.18s CPU 0.60s WALL ( 1 calls) newd : 0.18s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 334 calls) cegterg : 837.43s CPU 842.95s WALL ( 727 calls) Called by sum_band: Called by *egterg: h_psi : 336.10s CPU 344.28s WALL ( 13150 calls) s_psi : 23.66s CPU 24.17s WALL ( 13150 calls) g_psi : 0.91s CPU 0.93s WALL ( 12089 calls) cdiaghg : 351.44s CPU 349.04s WALL ( 12423 calls) cegterg:over : 79.79s CPU 76.57s WALL ( 12089 calls) cegterg:upda : 17.69s CPU 21.27s WALL ( 12089 calls) cegterg:last : 14.84s CPU 15.58s WALL ( 2063 calls) Called by h_psi: h_psi:vloc : 267.98s CPU 274.60s WALL ( 13150 calls) h_psi:vnl : 67.77s CPU 68.80s WALL ( 13150 calls) add_vuspsi : 18.89s CPU 22.80s WALL ( 13150 calls) General routines calbec : 48.83s CPU 45.90s WALL ( 13150 calls) fft : 0.50s CPU 1.62s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 255.78s CPU 259.05s WALL ( 1533188 calls) interpolate : 0.03s CPU 0.03s WALL ( 4 calls) davcio : 0.03s CPU 2.39s WALL ( 668 calls) Parallel routines fft_scatter : 162.92s CPU 165.09s WALL ( 1533211 calls) PWSCF : 16m 4.48s CPU 17m37.52s WALL This run was terminated on: 11:40:55 25Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=