Program PWSCF v.5.1.1 starts on 11Oct2015 at 22:11:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 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: ./KClO3.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 20 5 1064 455 72 Max 35 21 6 1069 481 78 Sum 1673 971 287 51239 22623 3667 bravais-lattice index = 14 lattice parameter (alat) = 8.0748 a.u. unit-cell volume = 521.2487 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.074799 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.083678 celldm(5)= 0.083678 celldm(6)= 0.083678 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.083678 0.996493 0.000000 ) a(3) = ( 0.083678 0.076946 0.993518 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.083972 -0.077720 ) b(2) = ( 0.000000 1.003519 -0.077720 ) b(3) = ( 0.000000 0.000000 1.006525 ) 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 Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cl 7.00 35.45300 Cl( 1.00) K 9.00 39.09830 K( 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= 302 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0131579 -0.0011049 -0.0010226), wk = 0.0033113 k( 3) = ( 0.0263158 -0.0022098 -0.0020453), wk = 0.0033113 k( 4) = ( 0.0394737 -0.0033147 -0.0030679), wk = 0.0033113 k( 5) = ( 0.0526316 -0.0044196 -0.0040905), wk = 0.0033113 k( 6) = ( 0.0657895 -0.0055245 -0.0051132), wk = 0.0033113 k( 7) = ( 0.0789474 -0.0066294 -0.0061358), wk = 0.0033113 k( 8) = ( 0.0921053 -0.0077343 -0.0071585), wk = 0.0033113 k( 9) = ( 0.1052632 -0.0088392 -0.0081811), wk = 0.0033113 k( 10) = ( 0.1184210 -0.0099441 -0.0092037), wk = 0.0033113 k( 11) = ( 0.1315790 -0.0110490 -0.0102264), wk = 0.0033113 k( 12) = ( 0.1447368 -0.0121539 -0.0112490), wk = 0.0033113 k( 13) = ( 0.1578947 -0.0132588 -0.0122716), wk = 0.0033113 k( 14) = ( 0.1710526 -0.0143637 -0.0132943), wk = 0.0033113 k( 15) = ( 0.1842105 -0.0154686 -0.0143169), wk = 0.0033113 k( 16) = ( 0.1973684 -0.0165735 -0.0153395), wk = 0.0033113 k( 17) = ( 0.2105263 -0.0176784 -0.0163622), wk = 0.0033113 k( 18) = ( 0.2236842 -0.0187833 -0.0173848), wk = 0.0033113 k( 19) = ( 0.2368421 -0.0198882 -0.0184074), wk = 0.0033113 k( 20) = ( 0.2500000 -0.0209931 -0.0194301), wk = 0.0033113 k( 21) = ( 0.2631579 -0.0220980 -0.0204527), wk = 0.0033113 k( 22) = ( 0.2763158 -0.0232029 -0.0214754), wk = 0.0033113 k( 23) = ( 0.2894737 -0.0243078 -0.0224980), wk = 0.0033113 k( 24) = ( 0.3026316 -0.0254127 -0.0235206), wk = 0.0033113 k( 25) = ( 0.3157895 -0.0265176 -0.0245433), wk = 0.0033113 k( 26) = ( 0.3289474 -0.0276225 -0.0255659), wk = 0.0033113 k( 27) = ( 0.3421053 -0.0287274 -0.0265885), wk = 0.0033113 k( 28) = ( 0.3552632 -0.0298323 -0.0276112), wk = 0.0033113 k( 29) = ( 0.3684211 -0.0309372 -0.0286338), wk = 0.0033113 k( 30) = ( 0.3815789 -0.0320421 -0.0296564), wk = 0.0033113 k( 31) = ( 0.3947368 -0.0331470 -0.0306791), wk = 0.0033113 k( 32) = ( 0.4078947 -0.0342519 -0.0317017), wk = 0.0033113 k( 33) = ( 0.4210526 -0.0353568 -0.0327244), wk = 0.0033113 k( 34) = ( 0.4342105 -0.0364617 -0.0337470), wk = 0.0033113 k( 35) = ( 0.4473684 -0.0375666 -0.0347696), wk = 0.0033113 k( 36) = ( 0.4605263 -0.0386715 -0.0357923), wk = 0.0033113 k( 37) = ( 0.4736842 -0.0397764 -0.0368149), wk = 0.0033113 k( 38) = ( 0.4868421 -0.0408813 -0.0378375), wk = 0.0033113 k( 39) = ( 0.5000000 -0.0419862 -0.0388602), wk = 0.0033113 k( 40) = ( 0.5000000 -0.0419862 -0.0388602), wk = 0.0033113 k( 41) = ( 0.5000000 -0.0328409 -0.0487411), wk = 0.0033113 k( 42) = ( 0.5000000 -0.0236957 -0.0586220), wk = 0.0033113 k( 43) = ( 0.5000000 -0.0145505 -0.0685029), wk = 0.0033113 k( 44) = ( 0.5000000 -0.0054052 -0.0783838), wk = 0.0033113 k( 45) = ( 0.5000000 0.0037400 -0.0882646), wk = 0.0033113 k( 46) = ( 0.5000000 0.0128852 -0.0981455), wk = 0.0033113 k( 47) = ( 0.5000000 0.0220305 -0.1080264), wk = 0.0033113 k( 48) = ( 0.5000000 0.0311757 -0.1179073), wk = 0.0033113 k( 49) = ( 0.5000000 0.0403209 -0.1277882), wk = 0.0033113 k( 50) = ( 0.5000000 0.0494662 -0.1376691), wk = 0.0033113 k( 51) = ( 0.5000000 0.0586114 -0.1475500), wk = 0.0033113 k( 52) = ( 0.5000000 0.0677566 -0.1574309), wk = 0.0033113 k( 53) = ( 0.5000000 0.0769019 -0.1673118), wk = 0.0033113 k( 54) = ( 0.5000000 0.0860471 -0.1771927), wk = 0.0033113 k( 55) = ( 0.5000000 0.0951923 -0.1870736), wk = 0.0033113 k( 56) = ( 0.5000000 0.1043375 -0.1969545), wk = 0.0033113 k( 57) = ( 0.5000000 0.1134828 -0.2068354), wk = 0.0033113 k( 58) = ( 0.5000000 0.1226280 -0.2167163), wk = 0.0033113 k( 59) = ( 0.5000000 0.1317732 -0.2265972), wk = 0.0033113 k( 60) = ( 0.5000000 0.1409185 -0.2364781), wk = 0.0033113 k( 61) = ( 0.5000000 0.1500637 -0.2463590), wk = 0.0033113 k( 62) = ( 0.5000000 0.1592089 -0.2562399), wk = 0.0033113 k( 63) = ( 0.5000000 0.1683542 -0.2661208), wk = 0.0033113 k( 64) = ( 0.5000000 0.1774994 -0.2760017), wk = 0.0033113 k( 65) = ( 0.5000000 0.1866446 -0.2858826), wk = 0.0033113 k( 66) = ( 0.5000000 0.1957899 -0.2957635), wk = 0.0033113 k( 67) = ( 0.5000000 0.2049351 -0.3056444), wk = 0.0033113 k( 68) = ( 0.5000000 0.2140803 -0.3155253), wk = 0.0033113 k( 69) = ( 0.5000000 0.2232256 -0.3254062), wk = 0.0033113 k( 70) = ( 0.5000000 0.2323708 -0.3352871), wk = 0.0033113 k( 71) = ( 0.5000000 0.2415160 -0.3451680), wk = 0.0033113 k( 72) = ( 0.5000000 0.2506613 -0.3550489), wk = 0.0033113 k( 73) = ( 0.5000000 0.2598065 -0.3649298), wk = 0.0033113 k( 74) = ( 0.5000000 0.2689517 -0.3748107), wk = 0.0033113 k( 75) = ( 0.5000000 0.2780970 -0.3846915), wk = 0.0033113 k( 76) = ( 0.5000000 0.2872422 -0.3945724), wk = 0.0033113 k( 77) = ( 0.5000000 0.2963874 -0.4044533), wk = 0.0033113 k( 78) = ( 0.5000000 0.3055327 -0.4143342), wk = 0.0033113 k( 79) = ( 0.5000000 0.3146779 -0.4242151), wk = 0.0033113 k( 80) = ( 0.5000000 0.3238231 -0.4340960), wk = 0.0033113 k( 81) = ( 0.5000000 0.3329684 -0.4439769), wk = 0.0033113 k( 82) = ( 0.5000000 0.3421136 -0.4538578), wk = 0.0033113 k( 83) = ( 0.5000000 0.3512588 -0.4637387), wk = 0.0033113 k( 84) = ( 0.5000000 0.3604041 -0.4736196), wk = 0.0033113 k( 85) = ( 0.5000000 0.3695493 -0.4835005), wk = 0.0033113 k( 86) = ( 0.5000000 0.3786945 -0.4933814), wk = 0.0033113 k( 87) = ( 0.5000000 0.3878398 -0.5032623), wk = 0.0033113 k( 88) = ( 0.5716815 0.4537543 0.3478216), wk = 0.0033113 k( 89) = ( 0.5627213 0.4545067 0.3575367), wk = 0.0033113 k( 90) = ( 0.5537612 0.4552591 0.3672517), wk = 0.0033113 k( 91) = ( 0.5448010 0.4560115 0.3769668), wk = 0.0033113 k( 92) = ( 0.5358408 0.4567639 0.3866818), wk = 0.0033113 k( 93) = ( 0.5268806 0.4575163 0.3963968), wk = 0.0033113 k( 94) = ( 0.5179204 0.4582688 0.4061119), wk = 0.0033113 k( 95) = ( 0.5089602 0.4590212 0.4158269), wk = 0.0033113 k( 96) = ( 0.5000000 0.4597736 0.4255420), wk = 0.0033113 k( 97) = ( 0.5000000 0.4597736 0.4255420), wk = 0.0033113 k( 98) = ( 0.4915254 0.4519808 0.4183294), wk = 0.0033113 k( 99) = ( 0.4830508 0.4441880 0.4111168), wk = 0.0033113 k( 100) = ( 0.4745763 0.4363953 0.4039042), wk = 0.0033113 k( 101) = ( 0.4661017 0.4286025 0.3966917), wk = 0.0033113 k( 102) = ( 0.4576271 0.4208097 0.3894791), wk = 0.0033113 k( 103) = ( 0.4491525 0.4130169 0.3822665), wk = 0.0033113 k( 104) = ( 0.4406780 0.4052242 0.3750539), wk = 0.0033113 k( 105) = ( 0.4322034 0.3974314 0.3678414), wk = 0.0033113 k( 106) = ( 0.4237288 0.3896386 0.3606288), wk = 0.0033113 k( 107) = ( 0.4152542 0.3818458 0.3534162), wk = 0.0033113 k( 108) = ( 0.4067797 0.3740531 0.3462036), wk = 0.0033113 k( 109) = ( 0.3983051 0.3662603 0.3389911), wk = 0.0033113 k( 110) = ( 0.3898305 0.3584675 0.3317785), wk = 0.0033113 k( 111) = ( 0.3813559 0.3506748 0.3245659), wk = 0.0033113 k( 112) = ( 0.3728814 0.3428820 0.3173533), wk = 0.0033113 k( 113) = ( 0.3644068 0.3350892 0.3101408), wk = 0.0033113 k( 114) = ( 0.3559322 0.3272964 0.3029282), wk = 0.0033113 k( 115) = ( 0.3474576 0.3195037 0.2957156), wk = 0.0033113 k( 116) = ( 0.3389831 0.3117109 0.2885030), wk = 0.0033113 k( 117) = ( 0.3305085 0.3039181 0.2812905), wk = 0.0033113 k( 118) = ( 0.3220339 0.2961254 0.2740779), wk = 0.0033113 k( 119) = ( 0.3135593 0.2883326 0.2668653), wk = 0.0033113 k( 120) = ( 0.3050848 0.2805398 0.2596527), wk = 0.0033113 k( 121) = ( 0.2966102 0.2727470 0.2524402), wk = 0.0033113 k( 122) = ( 0.2881356 0.2649543 0.2452276), wk = 0.0033113 k( 123) = ( 0.2796610 0.2571615 0.2380150), wk = 0.0033113 k( 124) = ( 0.2711864 0.2493687 0.2308024), wk = 0.0033113 k( 125) = ( 0.2627119 0.2415759 0.2235898), wk = 0.0033113 k( 126) = ( 0.2542373 0.2337832 0.2163773), wk = 0.0033113 k( 127) = ( 0.2457627 0.2259904 0.2091647), wk = 0.0033113 k( 128) = ( 0.2372881 0.2181976 0.2019521), wk = 0.0033113 k( 129) = ( 0.2288136 0.2104049 0.1947395), wk = 0.0033113 k( 130) = ( 0.2203390 0.2026121 0.1875270), wk = 0.0033113 k( 131) = ( 0.2118644 0.1948193 0.1803144), wk = 0.0033113 k( 132) = ( 0.2033898 0.1870265 0.1731018), wk = 0.0033113 k( 133) = ( 0.1949153 0.1792338 0.1658892), wk = 0.0033113 k( 134) = ( 0.1864407 0.1714410 0.1586767), wk = 0.0033113 k( 135) = ( 0.1779661 0.1636482 0.1514641), wk = 0.0033113 k( 136) = ( 0.1694915 0.1558555 0.1442515), wk = 0.0033113 k( 137) = ( 0.1610169 0.1480627 0.1370389), wk = 0.0033113 k( 138) = ( 0.1525424 0.1402699 0.1298264), wk = 0.0033113 k( 139) = ( 0.1440678 0.1324771 0.1226138), wk = 0.0033113 k( 140) = ( 0.1355932 0.1246844 0.1154012), wk = 0.0033113 k( 141) = ( 0.1271186 0.1168916 0.1081886), wk = 0.0033113 k( 142) = ( 0.1186441 0.1090988 0.1009761), wk = 0.0033113 k( 143) = ( 0.1101695 0.1013060 0.0937635), wk = 0.0033113 k( 144) = ( 0.1016949 0.0935133 0.0865509), wk = 0.0033113 k( 145) = ( 0.0932203 0.0857205 0.0793383), wk = 0.0033113 k( 146) = ( 0.0847458 0.0779277 0.0721258), wk = 0.0033113 k( 147) = ( 0.0762712 0.0701350 0.0649132), wk = 0.0033113 k( 148) = ( 0.0677966 0.0623422 0.0577006), wk = 0.0033113 k( 149) = ( 0.0593220 0.0545494 0.0504880), wk = 0.0033113 k( 150) = ( 0.0508475 0.0467566 0.0432755), wk = 0.0033113 k( 151) = ( 0.0423729 0.0389639 0.0360629), wk = 0.0033113 k( 152) = ( 0.0338983 0.0311711 0.0288503), wk = 0.0033113 k( 153) = ( 0.0254237 0.0233783 0.0216377), wk = 0.0033113 k( 154) = ( 0.0169491 0.0155855 0.0144251), wk = 0.0033113 k( 155) = ( 0.0084746 0.0077928 0.0072126), wk = 0.0033113 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 158) = ( 0.0091012 -0.0007642 -0.0098679), wk = 0.0033113 k( 159) = ( 0.0182023 -0.0015285 -0.0197358), wk = 0.0033113 k( 160) = ( 0.0273035 -0.0022927 -0.0296037), wk = 0.0033113 k( 161) = ( 0.0364046 -0.0030570 -0.0394716), wk = 0.0033113 k( 162) = ( 0.0455058 -0.0038212 -0.0493394), wk = 0.0033113 k( 163) = ( 0.0546070 -0.0045855 -0.0592073), wk = 0.0033113 k( 164) = ( 0.0637081 -0.0053497 -0.0690752), wk = 0.0033113 k( 165) = ( 0.0728093 -0.0061140 -0.0789431), wk = 0.0033113 k( 166) = ( 0.0819104 -0.0068782 -0.0888110), wk = 0.0033113 k( 167) = ( 0.0910116 -0.0076425 -0.0986789), wk = 0.0033113 k( 168) = ( 0.1001128 -0.0084067 -0.1085468), wk = 0.0033113 k( 169) = ( 0.1092139 -0.0091710 -0.1184147), wk = 0.0033113 k( 170) = ( 0.1183151 -0.0099352 -0.1282826), wk = 0.0033113 k( 171) = ( 0.1274163 -0.0106994 -0.1381504), wk = 0.0033113 k( 172) = ( 0.1365174 -0.0114637 -0.1480183), wk = 0.0033113 k( 173) = ( 0.1456186 -0.0122279 -0.1578862), wk = 0.0033113 k( 174) = ( 0.1547197 -0.0129922 -0.1677541), wk = 0.0033113 k( 175) = ( 0.1638209 -0.0137564 -0.1776220), wk = 0.0033113 k( 176) = ( 0.1729221 -0.0145207 -0.1874899), wk = 0.0033113 k( 177) = ( 0.1820232 -0.0152849 -0.1973578), wk = 0.0033113 k( 178) = ( 0.1911244 -0.0160492 -0.2072257), wk = 0.0033113 k( 179) = ( 0.2002256 -0.0168134 -0.2170935), wk = 0.0033113 k( 180) = ( 0.2093267 -0.0175777 -0.2269614), wk = 0.0033113 k( 181) = ( 0.2184279 -0.0183419 -0.2368293), wk = 0.0033113 k( 182) = ( 0.2275290 -0.0191061 -0.2466972), wk = 0.0033113 k( 183) = ( 0.2366302 -0.0198704 -0.2565651), wk = 0.0033113 k( 184) = ( 0.2457314 -0.0206346 -0.2664330), wk = 0.0033113 k( 185) = ( 0.2548325 -0.0213989 -0.2763009), wk = 0.0033113 k( 186) = ( 0.2639337 -0.0221631 -0.2861688), wk = 0.0033113 k( 187) = ( 0.2730348 -0.0229274 -0.2960366), wk = 0.0033113 k( 188) = ( 0.2821360 -0.0236916 -0.3059045), wk = 0.0033113 k( 189) = ( 0.2912372 -0.0244559 -0.3157724), wk = 0.0033113 k( 190) = ( 0.3003383 -0.0252201 -0.3256403), wk = 0.0033113 k( 191) = ( 0.3094395 -0.0259844 -0.3355082), wk = 0.0033113 k( 192) = ( 0.3185406 -0.0267486 -0.3453761), wk = 0.0033113 k( 193) = ( 0.3276418 -0.0275129 -0.3552440), wk = 0.0033113 k( 194) = ( 0.3367430 -0.0282771 -0.3651119), wk = 0.0033113 k( 195) = ( 0.3458441 -0.0290413 -0.3749798), wk = 0.0033113 k( 196) = ( 0.3549453 -0.0298056 -0.3848477), wk = 0.0033113 k( 197) = ( 0.3640465 -0.0305698 -0.3947155), wk = 0.0033113 k( 198) = ( 0.3731476 -0.0313341 -0.4045834), wk = 0.0033113 k( 199) = ( 0.3822488 -0.0320983 -0.4144513), wk = 0.0033113 k( 200) = ( 0.3913499 -0.0328626 -0.4243192), wk = 0.0033113 k( 201) = ( 0.4004511 -0.0336268 -0.4341871), wk = 0.0033113 k( 202) = ( 0.4095523 -0.0343911 -0.4440550), wk = 0.0033113 k( 203) = ( 0.4186534 -0.0351553 -0.4539229), wk = 0.0033113 k( 204) = ( 0.4277546 -0.0359196 -0.4637908), wk = 0.0033113 k( 205) = ( 0.4368557 -0.0366838 -0.4736586), wk = 0.0033113 k( 206) = ( 0.4459569 -0.0374480 -0.4835265), wk = 0.0033113 k( 207) = ( 0.4550581 -0.0382123 -0.4933944), wk = 0.0033113 k( 208) = ( 0.4641592 -0.0389765 -0.5032623), wk = 0.0033113 k( 209) = ( 0.5358408 0.4207970 -0.0777203), wk = 0.0033113 k( 210) = ( 0.5268806 0.4305412 -0.0777203), wk = 0.0033113 k( 211) = ( 0.5179204 0.4402853 -0.0777203), wk = 0.0033113 k( 212) = ( 0.5089602 0.4500294 -0.0777203), wk = 0.0033113 k( 213) = ( 0.5000000 0.4597736 -0.0777203), wk = 0.0033113 k( 214) = ( 0.5000000 0.4597736 -0.0777203), wk = 0.0033113 k( 215) = ( 0.5011200 0.4608035 -0.0644222), wk = 0.0033113 k( 216) = ( 0.5022401 0.4618334 -0.0511240), wk = 0.0033113 k( 217) = ( 0.5033601 0.4628633 -0.0378258), wk = 0.0033113 k( 218) = ( 0.5044801 0.4638932 -0.0245276), wk = 0.0033113 k( 219) = ( 0.5056001 0.4649231 -0.0112294), wk = 0.0033113 k( 220) = ( 0.5067201 0.4659531 0.0020688), wk = 0.0033113 k( 221) = ( 0.5078402 0.4669830 0.0153670), wk = 0.0033113 k( 222) = ( 0.5089602 0.4680129 0.0286652), wk = 0.0033113 k( 223) = ( 0.5100802 0.4690428 0.0419633), wk = 0.0033113 k( 224) = ( 0.5112002 0.4700727 0.0552615), wk = 0.0033113 k( 225) = ( 0.5123203 0.4711026 0.0685597), wk = 0.0033113 k( 226) = ( 0.5134403 0.4721325 0.0818579), wk = 0.0033113 k( 227) = ( 0.5145603 0.4731625 0.0951561), wk = 0.0033113 k( 228) = ( 0.5156803 0.4741924 0.1084543), wk = 0.0033113 k( 229) = ( 0.5168004 0.4752223 0.1217525), wk = 0.0033113 k( 230) = ( 0.5179204 0.4762522 0.1350506), wk = 0.0033113 k( 231) = ( 0.5190404 0.4772821 0.1483488), wk = 0.0033113 k( 232) = ( 0.5201604 0.4783120 0.1616470), wk = 0.0033113 k( 233) = ( 0.5212805 0.4793419 0.1749452), wk = 0.0033113 k( 234) = ( 0.5224005 0.4803719 0.1882434), wk = 0.0033113 k( 235) = ( 0.5235205 0.4814018 0.2015416), wk = 0.0033113 k( 236) = ( 0.5246405 0.4824317 0.2148398), wk = 0.0033113 k( 237) = ( 0.5257605 0.4834616 0.2281380), wk = 0.0033113 k( 238) = ( 0.5268806 0.4844915 0.2414361), wk = 0.0033113 k( 239) = ( 0.5280006 0.4855214 0.2547343), wk = 0.0033113 k( 240) = ( 0.5291206 0.4865514 0.2680325), wk = 0.0033113 k( 241) = ( 0.5302406 0.4875813 0.2813307), wk = 0.0033113 k( 242) = ( 0.5313607 0.4886112 0.2946289), wk = 0.0033113 k( 243) = ( 0.5324807 0.4896411 0.3079271), wk = 0.0033113 k( 244) = ( 0.5336007 0.4906710 0.3212253), wk = 0.0033113 k( 245) = ( 0.5347207 0.4917009 0.3345234), wk = 0.0033113 k( 246) = ( 0.5358408 0.4927308 0.3478216), wk = 0.0033113 k( 247) = ( 0.5358408 0.4927308 0.3478216), wk = 0.0033113 k( 248) = ( 0.5307207 0.4880227 0.3589245), wk = 0.0033113 k( 249) = ( 0.5256006 0.4833145 0.3700274), wk = 0.0033113 k( 250) = ( 0.5204804 0.4786063 0.3811303), wk = 0.0033113 k( 251) = ( 0.5153603 0.4738981 0.3922332), wk = 0.0033113 k( 252) = ( 0.5102402 0.4691899 0.4033362), wk = 0.0033113 k( 253) = ( 0.5051201 0.4644818 0.4144391), wk = 0.0033113 k( 254) = ( 0.5000000 0.4597736 0.4255420), wk = 0.0033113 k( 255) = ( 0.5000000 -0.0419862 -0.0388602), wk = 0.0033113 k( 256) = ( 0.5015251 -0.0322038 -0.0298061), wk = 0.0033113 k( 257) = ( 0.5030503 -0.0224213 -0.0207520), wk = 0.0033113 k( 258) = ( 0.5045754 -0.0126389 -0.0116979), wk = 0.0033113 k( 259) = ( 0.5061006 -0.0028565 -0.0026438), wk = 0.0033113 k( 260) = ( 0.5076257 0.0069259 0.0064103), wk = 0.0033113 k( 261) = ( 0.5091508 0.0167083 0.0154643), wk = 0.0033113 k( 262) = ( 0.5106760 0.0264907 0.0245184), wk = 0.0033113 k( 263) = ( 0.5122011 0.0362732 0.0335725), wk = 0.0033113 k( 264) = ( 0.5137263 0.0460556 0.0426266), wk = 0.0033113 k( 265) = ( 0.5152514 0.0558380 0.0516807), wk = 0.0033113 k( 266) = ( 0.5167765 0.0656204 0.0607348), wk = 0.0033113 k( 267) = ( 0.5183017 0.0754028 0.0697888), wk = 0.0033113 k( 268) = ( 0.5198268 0.0851852 0.0788429), wk = 0.0033113 k( 269) = ( 0.5213520 0.0949677 0.0878970), wk = 0.0033113 k( 270) = ( 0.5228771 0.1047501 0.0969511), wk = 0.0033113 k( 271) = ( 0.5244022 0.1145325 0.1060052), wk = 0.0033113 k( 272) = ( 0.5259274 0.1243149 0.1150593), wk = 0.0033113 k( 273) = ( 0.5274525 0.1340973 0.1241134), wk = 0.0033113 k( 274) = ( 0.5289776 0.1438797 0.1331674), wk = 0.0033113 k( 275) = ( 0.5305028 0.1536622 0.1422215), wk = 0.0033113 k( 276) = ( 0.5320279 0.1634446 0.1512756), wk = 0.0033113 k( 277) = ( 0.5335531 0.1732270 0.1603297), wk = 0.0033113 k( 278) = ( 0.5350782 0.1830094 0.1693838), wk = 0.0033113 k( 279) = ( 0.5366033 0.1927918 0.1784379), wk = 0.0033113 k( 280) = ( 0.5381285 0.2025742 0.1874919), wk = 0.0033113 k( 281) = ( 0.5396536 0.2123567 0.1965460), wk = 0.0033113 k( 282) = ( 0.5411788 0.2221391 0.2056001), wk = 0.0033113 k( 283) = ( 0.5427039 0.2319215 0.2146542), wk = 0.0033113 k( 284) = ( 0.5442290 0.2417039 0.2237083), wk = 0.0033113 k( 285) = ( 0.5457542 0.2514863 0.2327624), wk = 0.0033113 k( 286) = ( 0.5472793 0.2612687 0.2418164), wk = 0.0033113 k( 287) = ( 0.5488044 0.2710512 0.2508705), wk = 0.0033113 k( 288) = ( 0.5503296 0.2808336 0.2599246), wk = 0.0033113 k( 289) = ( 0.5518547 0.2906160 0.2689787), wk = 0.0033113 k( 290) = ( 0.5533799 0.3003984 0.2780328), wk = 0.0033113 k( 291) = ( 0.5549050 0.3101808 0.2870869), wk = 0.0033113 k( 292) = ( 0.5564301 0.3199632 0.2961410), wk = 0.0033113 k( 293) = ( 0.5579553 0.3297456 0.3051950), wk = 0.0033113 k( 294) = ( 0.5594804 0.3395281 0.3142491), wk = 0.0033113 k( 295) = ( 0.5610056 0.3493105 0.3233032), wk = 0.0033113 k( 296) = ( 0.5625307 0.3590929 0.3323573), wk = 0.0033113 k( 297) = ( 0.5640558 0.3688753 0.3414114), wk = 0.0033113 k( 298) = ( 0.5655810 0.3786577 0.3504655), wk = 0.0033113 k( 299) = ( 0.5671061 0.3884401 0.3595195), wk = 0.0033113 k( 300) = ( 0.5686313 0.3982226 0.3685736), wk = 0.0033113 k( 301) = ( 0.5701564 0.4080050 0.3776277), wk = 0.0033113 k( 302) = ( 0.5716815 0.4177874 0.3866818), wk = 0.0033113 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0131579 -0.0000000 0.0000000), wk = 0.0033113 k( 3) = ( 0.0263158 0.0000000 0.0000000), wk = 0.0033113 k( 4) = ( 0.0394737 0.0000000 0.0000000), wk = 0.0033113 k( 5) = ( 0.0526316 0.0000000 0.0000000), wk = 0.0033113 k( 6) = ( 0.0657895 0.0000000 0.0000000), wk = 0.0033113 k( 7) = ( 0.0789474 0.0000000 0.0000000), wk = 0.0033113 k( 8) = ( 0.0921053 0.0000000 0.0000000), wk = 0.0033113 k( 9) = ( 0.1052632 0.0000000 0.0000000), wk = 0.0033113 k( 10) = ( 0.1184210 0.0000000 0.0000000), wk = 0.0033113 k( 11) = ( 0.1315790 0.0000000 0.0000000), wk = 0.0033113 k( 12) = ( 0.1447368 -0.0000000 0.0000000), wk = 0.0033113 k( 13) = ( 0.1578947 0.0000000 0.0000000), wk = 0.0033113 k( 14) = ( 0.1710526 0.0000000 0.0000000), wk = 0.0033113 k( 15) = ( 0.1842105 0.0000000 0.0000000), wk = 0.0033113 k( 16) = ( 0.1973684 0.0000000 0.0000000), wk = 0.0033113 k( 17) = ( 0.2105263 0.0000000 0.0000000), wk = 0.0033113 k( 18) = ( 0.2236842 0.0000000 0.0000000), wk = 0.0033113 k( 19) = ( 0.2368421 -0.0000000 0.0000000), wk = 0.0033113 k( 20) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0033113 k( 21) = ( 0.2631579 0.0000000 0.0000000), wk = 0.0033113 k( 22) = ( 0.2763158 0.0000000 0.0000000), wk = 0.0033113 k( 23) = ( 0.2894737 -0.0000000 0.0000000), wk = 0.0033113 k( 24) = ( 0.3026316 0.0000000 0.0000000), wk = 0.0033113 k( 25) = ( 0.3157895 -0.0000000 0.0000000), wk = 0.0033113 k( 26) = ( 0.3289474 0.0000000 0.0000000), wk = 0.0033113 k( 27) = ( 0.3421053 0.0000000 0.0000000), wk = 0.0033113 k( 28) = ( 0.3552632 0.0000000 0.0000000), wk = 0.0033113 k( 29) = ( 0.3684211 0.0000000 0.0000000), wk = 0.0033113 k( 30) = ( 0.3815789 0.0000000 0.0000000), wk = 0.0033113 k( 31) = ( 0.3947368 0.0000000 0.0000000), wk = 0.0033113 k( 32) = ( 0.4078947 0.0000000 0.0000000), wk = 0.0033113 k( 33) = ( 0.4210526 0.0000000 0.0000000), wk = 0.0033113 k( 34) = ( 0.4342105 -0.0000000 0.0000000), wk = 0.0033113 k( 35) = ( 0.4473684 0.0000000 0.0000000), wk = 0.0033113 k( 36) = ( 0.4605263 -0.0000000 0.0000000), wk = 0.0033113 k( 37) = ( 0.4736842 0.0000000 0.0000000), wk = 0.0033113 k( 38) = ( 0.4868421 0.0000000 0.0000000), wk = 0.0033113 k( 39) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 41) = ( 0.5000000 0.0091132 -0.0091132), wk = 0.0033113 k( 42) = ( 0.5000000 0.0182263 -0.0182263), wk = 0.0033113 k( 43) = ( 0.5000000 0.0273395 -0.0273395), wk = 0.0033113 k( 44) = ( 0.5000000 0.0364526 -0.0364526), wk = 0.0033113 k( 45) = ( 0.5000000 0.0455658 -0.0455658), wk = 0.0033113 k( 46) = ( 0.5000000 0.0546790 -0.0546789), wk = 0.0033113 k( 47) = ( 0.5000000 0.0637921 -0.0637921), wk = 0.0033113 k( 48) = ( 0.5000000 0.0729053 -0.0729053), wk = 0.0033113 k( 49) = ( 0.5000000 0.0820184 -0.0820184), wk = 0.0033113 k( 50) = ( 0.5000000 0.0911316 -0.0911316), wk = 0.0033113 k( 51) = ( 0.5000000 0.1002447 -0.1002447), wk = 0.0033113 k( 52) = ( 0.5000000 0.1093579 -0.1093579), wk = 0.0033113 k( 53) = ( 0.5000000 0.1184711 -0.1184711), wk = 0.0033113 k( 54) = ( 0.5000000 0.1275842 -0.1275842), wk = 0.0033113 k( 55) = ( 0.5000000 0.1366974 -0.1366974), wk = 0.0033113 k( 56) = ( 0.5000000 0.1458105 -0.1458105), wk = 0.0033113 k( 57) = ( 0.5000000 0.1549237 -0.1549237), wk = 0.0033113 k( 58) = ( 0.5000000 0.1640369 -0.1640369), wk = 0.0033113 k( 59) = ( 0.5000000 0.1731500 -0.1731500), wk = 0.0033113 k( 60) = ( 0.5000000 0.1822632 -0.1822632), wk = 0.0033113 k( 61) = ( 0.5000000 0.1913763 -0.1913763), wk = 0.0033113 k( 62) = ( 0.5000000 0.2004895 -0.2004895), wk = 0.0033113 k( 63) = ( 0.5000000 0.2096027 -0.2096027), wk = 0.0033113 k( 64) = ( 0.5000000 0.2187158 -0.2187158), wk = 0.0033113 k( 65) = ( 0.5000000 0.2278290 -0.2278290), wk = 0.0033113 k( 66) = ( 0.5000000 0.2369421 -0.2369421), wk = 0.0033113 k( 67) = ( 0.5000000 0.2460553 -0.2460553), wk = 0.0033113 k( 68) = ( 0.5000000 0.2551684 -0.2551684), wk = 0.0033113 k( 69) = ( 0.5000000 0.2642816 -0.2642816), wk = 0.0033113 k( 70) = ( 0.5000000 0.2733948 -0.2733948), wk = 0.0033113 k( 71) = ( 0.5000000 0.2825079 -0.2825079), wk = 0.0033113 k( 72) = ( 0.5000000 0.2916211 -0.2916211), wk = 0.0033113 k( 73) = ( 0.5000000 0.3007342 -0.3007342), wk = 0.0033113 k( 74) = ( 0.5000000 0.3098474 -0.3098474), wk = 0.0033113 k( 75) = ( 0.5000000 0.3189606 -0.3189606), wk = 0.0033113 k( 76) = ( 0.5000000 0.3280737 -0.3280737), wk = 0.0033113 k( 77) = ( 0.5000000 0.3371869 -0.3371869), wk = 0.0033113 k( 78) = ( 0.5000000 0.3463000 -0.3463000), wk = 0.0033113 k( 79) = ( 0.5000000 0.3554132 -0.3554132), wk = 0.0033113 k( 80) = ( 0.5000000 0.3645264 -0.3645264), wk = 0.0033113 k( 81) = ( 0.5000000 0.3736395 -0.3736395), wk = 0.0033113 k( 82) = ( 0.5000000 0.3827527 -0.3827527), wk = 0.0033113 k( 83) = ( 0.5000000 0.3918658 -0.3918658), wk = 0.0033113 k( 84) = ( 0.5000000 0.4009790 -0.4009790), wk = 0.0033113 k( 85) = ( 0.5000000 0.4100921 -0.4100921), wk = 0.0033113 k( 86) = ( 0.5000000 0.4192053 -0.4192053), wk = 0.0033113 k( 87) = ( 0.5000000 0.4283185 -0.4283185), wk = 0.0033113 k( 88) = ( 0.5716815 0.5000000 0.4283185), wk = 0.0033113 k( 89) = ( 0.5627213 0.5000000 0.4372787), wk = 0.0033113 k( 90) = ( 0.5537612 0.5000000 0.4462389), wk = 0.0033113 k( 91) = ( 0.5448010 0.5000000 0.4551990), wk = 0.0033113 k( 92) = ( 0.5358408 0.5000000 0.4641592), wk = 0.0033113 k( 93) = ( 0.5268806 0.5000000 0.4731194), wk = 0.0033113 k( 94) = ( 0.5179204 0.5000000 0.4820796), wk = 0.0033113 k( 95) = ( 0.5089602 0.5000000 0.4910398), wk = 0.0033113 k( 96) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033113 k( 97) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033113 k( 98) = ( 0.4915254 0.4915254 0.4915254), wk = 0.0033113 k( 99) = ( 0.4830508 0.4830509 0.4830508), wk = 0.0033113 k( 100) = ( 0.4745763 0.4745763 0.4745763), wk = 0.0033113 k( 101) = ( 0.4661017 0.4661017 0.4661017), wk = 0.0033113 k( 102) = ( 0.4576271 0.4576271 0.4576271), wk = 0.0033113 k( 103) = ( 0.4491525 0.4491525 0.4491525), wk = 0.0033113 k( 104) = ( 0.4406780 0.4406780 0.4406780), wk = 0.0033113 k( 105) = ( 0.4322034 0.4322034 0.4322034), wk = 0.0033113 k( 106) = ( 0.4237288 0.4237288 0.4237288), wk = 0.0033113 k( 107) = ( 0.4152542 0.4152542 0.4152542), wk = 0.0033113 k( 108) = ( 0.4067797 0.4067797 0.4067797), wk = 0.0033113 k( 109) = ( 0.3983051 0.3983051 0.3983051), wk = 0.0033113 k( 110) = ( 0.3898305 0.3898305 0.3898305), wk = 0.0033113 k( 111) = ( 0.3813559 0.3813559 0.3813559), wk = 0.0033113 k( 112) = ( 0.3728814 0.3728814 0.3728814), wk = 0.0033113 k( 113) = ( 0.3644068 0.3644068 0.3644068), wk = 0.0033113 k( 114) = ( 0.3559322 0.3559322 0.3559322), wk = 0.0033113 k( 115) = ( 0.3474576 0.3474576 0.3474576), wk = 0.0033113 k( 116) = ( 0.3389831 0.3389831 0.3389830), wk = 0.0033113 k( 117) = ( 0.3305085 0.3305085 0.3305085), wk = 0.0033113 k( 118) = ( 0.3220339 0.3220339 0.3220339), wk = 0.0033113 k( 119) = ( 0.3135593 0.3135593 0.3135593), wk = 0.0033113 k( 120) = ( 0.3050848 0.3050848 0.3050848), wk = 0.0033113 k( 121) = ( 0.2966102 0.2966102 0.2966102), wk = 0.0033113 k( 122) = ( 0.2881356 0.2881356 0.2881356), wk = 0.0033113 k( 123) = ( 0.2796610 0.2796610 0.2796610), wk = 0.0033113 k( 124) = ( 0.2711864 0.2711864 0.2711864), wk = 0.0033113 k( 125) = ( 0.2627119 0.2627119 0.2627119), wk = 0.0033113 k( 126) = ( 0.2542373 0.2542373 0.2542373), wk = 0.0033113 k( 127) = ( 0.2457627 0.2457627 0.2457627), wk = 0.0033113 k( 128) = ( 0.2372881 0.2372881 0.2372881), wk = 0.0033113 k( 129) = ( 0.2288136 0.2288136 0.2288136), wk = 0.0033113 k( 130) = ( 0.2203390 0.2203390 0.2203390), wk = 0.0033113 k( 131) = ( 0.2118644 0.2118644 0.2118644), wk = 0.0033113 k( 132) = ( 0.2033898 0.2033898 0.2033898), wk = 0.0033113 k( 133) = ( 0.1949153 0.1949153 0.1949153), wk = 0.0033113 k( 134) = ( 0.1864407 0.1864407 0.1864407), wk = 0.0033113 k( 135) = ( 0.1779661 0.1779661 0.1779661), wk = 0.0033113 k( 136) = ( 0.1694915 0.1694915 0.1694915), wk = 0.0033113 k( 137) = ( 0.1610169 0.1610169 0.1610169), wk = 0.0033113 k( 138) = ( 0.1525424 0.1525424 0.1525424), wk = 0.0033113 k( 139) = ( 0.1440678 0.1440678 0.1440678), wk = 0.0033113 k( 140) = ( 0.1355932 0.1355932 0.1355932), wk = 0.0033113 k( 141) = ( 0.1271186 0.1271186 0.1271186), wk = 0.0033113 k( 142) = ( 0.1186441 0.1186441 0.1186441), wk = 0.0033113 k( 143) = ( 0.1101695 0.1101695 0.1101695), wk = 0.0033113 k( 144) = ( 0.1016949 0.1016949 0.1016949), wk = 0.0033113 k( 145) = ( 0.0932203 0.0932203 0.0932203), wk = 0.0033113 k( 146) = ( 0.0847458 0.0847458 0.0847458), wk = 0.0033113 k( 147) = ( 0.0762712 0.0762712 0.0762712), wk = 0.0033113 k( 148) = ( 0.0677966 0.0677966 0.0677966), wk = 0.0033113 k( 149) = ( 0.0593220 0.0593220 0.0593220), wk = 0.0033113 k( 150) = ( 0.0508475 0.0508475 0.0508475), wk = 0.0033113 k( 151) = ( 0.0423729 0.0423729 0.0423729), wk = 0.0033113 k( 152) = ( 0.0338983 0.0338983 0.0338983), wk = 0.0033113 k( 153) = ( 0.0254237 0.0254237 0.0254237), wk = 0.0033113 k( 154) = ( 0.0169491 0.0169491 0.0169492), wk = 0.0033113 k( 155) = ( 0.0084746 0.0084746 0.0084746), wk = 0.0033113 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 158) = ( 0.0091012 0.0000000 -0.0091012), wk = 0.0033113 k( 159) = ( 0.0182023 0.0000000 -0.0182023), wk = 0.0033113 k( 160) = ( 0.0273035 0.0000000 -0.0273035), wk = 0.0033113 k( 161) = ( 0.0364046 0.0000000 -0.0364046), wk = 0.0033113 k( 162) = ( 0.0455058 -0.0000000 -0.0455058), wk = 0.0033113 k( 163) = ( 0.0546070 0.0000000 -0.0546070), wk = 0.0033113 k( 164) = ( 0.0637081 -0.0000000 -0.0637081), wk = 0.0033113 k( 165) = ( 0.0728093 0.0000000 -0.0728093), wk = 0.0033113 k( 166) = ( 0.0819104 0.0000000 -0.0819104), wk = 0.0033113 k( 167) = ( 0.0910116 0.0000000 -0.0910116), wk = 0.0033113 k( 168) = ( 0.1001128 0.0000000 -0.1001128), wk = 0.0033113 k( 169) = ( 0.1092139 0.0000000 -0.1092139), wk = 0.0033113 k( 170) = ( 0.1183151 0.0000000 -0.1183151), wk = 0.0033113 k( 171) = ( 0.1274163 -0.0000000 -0.1274163), wk = 0.0033113 k( 172) = ( 0.1365174 0.0000000 -0.1365174), wk = 0.0033113 k( 173) = ( 0.1456186 0.0000000 -0.1456186), wk = 0.0033113 k( 174) = ( 0.1547197 0.0000000 -0.1547197), wk = 0.0033113 k( 175) = ( 0.1638209 0.0000000 -0.1638209), wk = 0.0033113 k( 176) = ( 0.1729221 0.0000000 -0.1729221), wk = 0.0033113 k( 177) = ( 0.1820232 0.0000000 -0.1820232), wk = 0.0033113 k( 178) = ( 0.1911244 0.0000000 -0.1911244), wk = 0.0033113 k( 179) = ( 0.2002256 -0.0000000 -0.2002256), wk = 0.0033113 k( 180) = ( 0.2093267 -0.0000000 -0.2093267), wk = 0.0033113 k( 181) = ( 0.2184279 0.0000000 -0.2184279), wk = 0.0033113 k( 182) = ( 0.2275290 0.0000000 -0.2275290), wk = 0.0033113 k( 183) = ( 0.2366302 0.0000000 -0.2366302), wk = 0.0033113 k( 184) = ( 0.2457314 0.0000000 -0.2457314), wk = 0.0033113 k( 185) = ( 0.2548325 -0.0000000 -0.2548325), wk = 0.0033113 k( 186) = ( 0.2639337 0.0000000 -0.2639337), wk = 0.0033113 k( 187) = ( 0.2730348 0.0000000 -0.2730348), wk = 0.0033113 k( 188) = ( 0.2821360 0.0000000 -0.2821360), wk = 0.0033113 k( 189) = ( 0.2912372 0.0000000 -0.2912372), wk = 0.0033113 k( 190) = ( 0.3003383 0.0000000 -0.3003383), wk = 0.0033113 k( 191) = ( 0.3094395 0.0000000 -0.3094395), wk = 0.0033113 k( 192) = ( 0.3185406 0.0000000 -0.3185406), wk = 0.0033113 k( 193) = ( 0.3276418 -0.0000000 -0.3276418), wk = 0.0033113 k( 194) = ( 0.3367430 -0.0000000 -0.3367430), wk = 0.0033113 k( 195) = ( 0.3458441 0.0000000 -0.3458441), wk = 0.0033113 k( 196) = ( 0.3549453 0.0000000 -0.3549453), wk = 0.0033113 k( 197) = ( 0.3640465 0.0000000 -0.3640465), wk = 0.0033113 k( 198) = ( 0.3731476 -0.0000000 -0.3731476), wk = 0.0033113 k( 199) = ( 0.3822488 0.0000000 -0.3822488), wk = 0.0033113 k( 200) = ( 0.3913499 0.0000000 -0.3913499), wk = 0.0033113 k( 201) = ( 0.4004511 -0.0000000 -0.4004511), wk = 0.0033113 k( 202) = ( 0.4095523 0.0000000 -0.4095523), wk = 0.0033113 k( 203) = ( 0.4186534 0.0000000 -0.4186534), wk = 0.0033113 k( 204) = ( 0.4277546 -0.0000000 -0.4277546), wk = 0.0033113 k( 205) = ( 0.4368557 0.0000000 -0.4368557), wk = 0.0033113 k( 206) = ( 0.4459569 0.0000000 -0.4459569), wk = 0.0033113 k( 207) = ( 0.4550581 0.0000000 -0.4550581), wk = 0.0033113 k( 208) = ( 0.4641592 0.0000000 -0.4641592), wk = 0.0033113 k( 209) = ( 0.5358408 0.4641592 0.0000000), wk = 0.0033113 k( 210) = ( 0.5268806 0.4731194 0.0000000), wk = 0.0033113 k( 211) = ( 0.5179204 0.4820796 0.0000000), wk = 0.0033113 k( 212) = ( 0.5089602 0.4910398 0.0000000), wk = 0.0033113 k( 213) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033113 k( 214) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033113 k( 215) = ( 0.5011200 0.5011200 0.0133850), wk = 0.0033113 k( 216) = ( 0.5022401 0.5022401 0.0267699), wk = 0.0033113 k( 217) = ( 0.5033601 0.5033601 0.0401549), wk = 0.0033113 k( 218) = ( 0.5044801 0.5044801 0.0535398), wk = 0.0033113 k( 219) = ( 0.5056001 0.5056001 0.0669248), wk = 0.0033113 k( 220) = ( 0.5067201 0.5067201 0.0803097), wk = 0.0033113 k( 221) = ( 0.5078402 0.5078402 0.0936947), wk = 0.0033113 k( 222) = ( 0.5089602 0.5089602 0.1070796), wk = 0.0033113 k( 223) = ( 0.5100802 0.5100802 0.1204646), wk = 0.0033113 k( 224) = ( 0.5112002 0.5112002 0.1338495), wk = 0.0033113 k( 225) = ( 0.5123203 0.5123203 0.1472345), wk = 0.0033113 k( 226) = ( 0.5134403 0.5134403 0.1606194), wk = 0.0033113 k( 227) = ( 0.5145603 0.5145603 0.1740044), wk = 0.0033113 k( 228) = ( 0.5156803 0.5156803 0.1873893), wk = 0.0033113 k( 229) = ( 0.5168004 0.5168004 0.2007743), wk = 0.0033113 k( 230) = ( 0.5179204 0.5179204 0.2141592), wk = 0.0033113 k( 231) = ( 0.5190404 0.5190404 0.2275442), wk = 0.0033113 k( 232) = ( 0.5201604 0.5201604 0.2409291), wk = 0.0033113 k( 233) = ( 0.5212805 0.5212805 0.2543141), wk = 0.0033113 k( 234) = ( 0.5224005 0.5224005 0.2676990), wk = 0.0033113 k( 235) = ( 0.5235205 0.5235205 0.2810840), wk = 0.0033113 k( 236) = ( 0.5246405 0.5246405 0.2944690), wk = 0.0033113 k( 237) = ( 0.5257605 0.5257605 0.3078539), wk = 0.0033113 k( 238) = ( 0.5268806 0.5268806 0.3212389), wk = 0.0033113 k( 239) = ( 0.5280006 0.5280006 0.3346238), wk = 0.0033113 k( 240) = ( 0.5291206 0.5291206 0.3480088), wk = 0.0033113 k( 241) = ( 0.5302406 0.5302406 0.3613937), wk = 0.0033113 k( 242) = ( 0.5313607 0.5313607 0.3747787), wk = 0.0033113 k( 243) = ( 0.5324807 0.5324807 0.3881636), wk = 0.0033113 k( 244) = ( 0.5336007 0.5336007 0.4015486), wk = 0.0033113 k( 245) = ( 0.5347207 0.5347207 0.4149335), wk = 0.0033113 k( 246) = ( 0.5358408 0.5358408 0.4283185), wk = 0.0033113 k( 247) = ( 0.5358408 0.5358408 0.4283185), wk = 0.0033113 k( 248) = ( 0.5307207 0.5307207 0.4385587), wk = 0.0033113 k( 249) = ( 0.5256006 0.5256006 0.4487989), wk = 0.0033113 k( 250) = ( 0.5204804 0.5204804 0.4590391), wk = 0.0033113 k( 251) = ( 0.5153603 0.5153603 0.4692793), wk = 0.0033113 k( 252) = ( 0.5102402 0.5102402 0.4795196), wk = 0.0033113 k( 253) = ( 0.5051201 0.5051201 0.4897598), wk = 0.0033113 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033113 k( 255) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033113 k( 256) = ( 0.5015251 0.0098757 0.0098757), wk = 0.0033113 k( 257) = ( 0.5030503 0.0197515 0.0197515), wk = 0.0033113 k( 258) = ( 0.5045754 0.0296272 0.0296272), wk = 0.0033113 k( 259) = ( 0.5061006 0.0395029 0.0395029), wk = 0.0033113 k( 260) = ( 0.5076257 0.0493786 0.0493786), wk = 0.0033113 k( 261) = ( 0.5091508 0.0592544 0.0592544), wk = 0.0033113 k( 262) = ( 0.5106760 0.0691301 0.0691301), wk = 0.0033113 k( 263) = ( 0.5122011 0.0790058 0.0790058), wk = 0.0033113 k( 264) = ( 0.5137263 0.0888816 0.0888816), wk = 0.0033113 k( 265) = ( 0.5152514 0.0987573 0.0987573), wk = 0.0033113 k( 266) = ( 0.5167765 0.1086330 0.1086330), wk = 0.0033113 k( 267) = ( 0.5183017 0.1185087 0.1185087), wk = 0.0033113 k( 268) = ( 0.5198268 0.1283845 0.1283845), wk = 0.0033113 k( 269) = ( 0.5213520 0.1382602 0.1382602), wk = 0.0033113 k( 270) = ( 0.5228771 0.1481359 0.1481359), wk = 0.0033113 k( 271) = ( 0.5244022 0.1580117 0.1580117), wk = 0.0033113 k( 272) = ( 0.5259274 0.1678874 0.1678874), wk = 0.0033113 k( 273) = ( 0.5274525 0.1777631 0.1777631), wk = 0.0033113 k( 274) = ( 0.5289776 0.1876388 0.1876388), wk = 0.0033113 k( 275) = ( 0.5305028 0.1975146 0.1975146), wk = 0.0033113 k( 276) = ( 0.5320279 0.2073903 0.2073903), wk = 0.0033113 k( 277) = ( 0.5335531 0.2172660 0.2172660), wk = 0.0033113 k( 278) = ( 0.5350782 0.2271418 0.2271418), wk = 0.0033113 k( 279) = ( 0.5366033 0.2370175 0.2370175), wk = 0.0033113 k( 280) = ( 0.5381285 0.2468932 0.2468932), wk = 0.0033113 k( 281) = ( 0.5396536 0.2567689 0.2567689), wk = 0.0033113 k( 282) = ( 0.5411788 0.2666447 0.2666447), wk = 0.0033113 k( 283) = ( 0.5427039 0.2765204 0.2765204), wk = 0.0033113 k( 284) = ( 0.5442290 0.2863961 0.2863961), wk = 0.0033113 k( 285) = ( 0.5457542 0.2962719 0.2962719), wk = 0.0033113 k( 286) = ( 0.5472793 0.3061476 0.3061476), wk = 0.0033113 k( 287) = ( 0.5488044 0.3160233 0.3160233), wk = 0.0033113 k( 288) = ( 0.5503296 0.3258990 0.3258990), wk = 0.0033113 k( 289) = ( 0.5518547 0.3357748 0.3357748), wk = 0.0033113 k( 290) = ( 0.5533799 0.3456505 0.3456505), wk = 0.0033113 k( 291) = ( 0.5549050 0.3555262 0.3555262), wk = 0.0033113 k( 292) = ( 0.5564301 0.3654019 0.3654019), wk = 0.0033113 k( 293) = ( 0.5579553 0.3752777 0.3752777), wk = 0.0033113 k( 294) = ( 0.5594804 0.3851534 0.3851534), wk = 0.0033113 k( 295) = ( 0.5610056 0.3950291 0.3950291), wk = 0.0033113 k( 296) = ( 0.5625307 0.4049049 0.4049049), wk = 0.0033113 k( 297) = ( 0.5640558 0.4147806 0.4147806), wk = 0.0033113 k( 298) = ( 0.5655810 0.4246563 0.4246563), wk = 0.0033113 k( 299) = ( 0.5671061 0.4345321 0.4345320), wk = 0.0033113 k( 300) = ( 0.5686313 0.4444078 0.4444078), wk = 0.0033113 k( 301) = ( 0.5701564 0.4542835 0.4542835), wk = 0.0033113 k( 302) = ( 0.5716815 0.4641592 0.4641592), wk = 0.0033113 Dense grid: 51239 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 22623 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 128, 42) NL pseudopotentials 0.11 Mb ( 64, 110) Each V/rho on FFT grid 0.04 Mb ( 2304) Each G-vector array 0.01 Mb ( 1065) G-vector shells 0.01 Mb ( 922) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 128, 168) Each subspace H/S matrix 0.43 Mb ( 168, 168) Each matrix 0.14 Mb ( 110, 2, 42) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./KClO3.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.3 secs Computing kpt #: 2 total cpu time spent up to now is 43.3 secs Computing kpt #: 3 total cpu time spent up to now is 44.2 secs Computing kpt #: 4 total cpu time spent up to now is 44.9 secs Computing kpt #: 5 total cpu time spent up to now is 45.8 secs Computing kpt #: 6 total cpu time spent up to now is 46.6 secs Computing kpt #: 7 total cpu time spent up to now is 47.4 secs Computing kpt #: 8 total cpu time spent up to now is 48.2 secs Computing kpt #: 9 total cpu time spent up to now is 48.9 secs Computing kpt #: 10 total cpu time spent up to now is 49.7 secs Computing kpt #: 11 total cpu time spent up to now is 50.4 secs Computing kpt #: 12 total cpu time spent up to now is 51.3 secs Computing kpt #: 13 total cpu time spent up to now is 52.2 secs Computing kpt #: 14 total cpu time spent up to now is 53.0 secs Computing kpt #: 15 total cpu time spent up to now is 53.8 secs Computing kpt #: 16 total cpu time spent up to now is 54.7 secs Computing kpt #: 17 total cpu time spent up to now is 55.5 secs Computing kpt #: 18 total cpu time spent up to now is 56.4 secs Computing kpt #: 19 total cpu time spent up to now is 57.3 secs Computing kpt #: 20 total cpu time spent up to now is 58.2 secs Computing kpt #: 21 total cpu time spent up to now is 59.2 secs Computing kpt #: 22 total cpu time spent up to now is 60.1 secs Computing kpt #: 23 total cpu time spent up to now is 61.0 secs Computing kpt #: 24 total cpu time spent up to now is 61.9 secs Computing kpt #: 25 total cpu time spent up to now is 62.9 secs Computing kpt #: 26 total cpu time spent up to now is 63.9 secs Computing kpt #: 27 total cpu time spent up to now is 65.0 secs Computing kpt #: 28 total cpu time spent up to now is 66.0 secs Computing kpt #: 29 total cpu time spent up to now is 67.0 secs Computing kpt #: 30 total cpu time spent up to now is 68.0 secs Computing kpt #: 31 total cpu time spent up to now is 69.0 secs Computing kpt #: 32 total cpu time spent up to now is 70.1 secs Computing kpt #: 33 total cpu time spent up to now is 71.2 secs Computing kpt #: 34 total cpu time spent up to now is 72.2 secs Computing kpt #: 35 total cpu time spent up to now is 73.3 secs Computing kpt #: 36 total cpu time spent up to now is 74.4 secs Computing kpt #: 37 total cpu time spent up to now is 75.5 secs Computing kpt #: 38 total cpu time spent up to now is 76.6 secs Computing kpt #: 39 total cpu time spent up to now is 78.2 secs Computing kpt #: 40 total cpu time spent up to now is 79.4 secs Computing kpt #: 41 total cpu time spent up to now is 80.7 secs Computing kpt #: 42 total cpu time spent up to now is 81.8 secs Computing kpt #: 43 total cpu time spent up to now is 82.9 secs Computing kpt #: 44 total cpu time spent up to now is 84.0 secs Computing kpt #: 45 total cpu time spent up to now is 85.1 secs Computing kpt #: 46 total cpu time spent up to now is 86.3 secs Computing kpt #: 47 total cpu time spent up to now is 87.4 secs Computing kpt #: 48 total cpu time spent up to now is 88.7 secs Computing kpt #: 49 total cpu time spent up to now is 89.8 secs Computing kpt #: 50 total cpu time spent up to now is 91.1 secs Computing kpt #: 51 total cpu time spent up to now is 92.3 secs Computing kpt #: 52 total cpu time spent up to now is 93.6 secs Computing kpt #: 53 total cpu time spent up to now is 94.9 secs Computing kpt #: 54 total cpu time spent up to now is 96.1 secs Computing kpt #: 55 total cpu time spent up to now is 97.2 secs Computing kpt #: 56 total cpu time spent up to now is 98.3 secs Computing kpt #: 57 total cpu time spent up to now is 99.4 secs Computing kpt #: 58 total cpu time spent up to now is 100.6 secs Computing kpt #: 59 total cpu time spent up to now is 101.7 secs Computing kpt #: 60 total cpu time spent up to now is 102.8 secs Computing kpt #: 61 total cpu time spent up to now is 103.9 secs Computing kpt #: 62 total cpu time spent up to now is 105.0 secs Computing kpt #: 63 total cpu time spent up to now is 106.1 secs Computing kpt #: 64 total cpu time spent up to now is 107.2 secs Computing kpt #: 65 total cpu time spent up to now is 108.2 secs Computing kpt #: 66 total cpu time spent up to now is 109.3 secs Computing kpt #: 67 total cpu time spent up to now is 110.4 secs Computing kpt #: 68 total cpu time spent up to now is 111.5 secs Computing kpt #: 69 total cpu time spent up to now is 112.6 secs Computing kpt #: 70 total cpu time spent up to now is 113.7 secs Computing kpt #: 71 total cpu time spent up to now is 114.8 secs Computing kpt #: 72 total cpu time spent up to now is 115.8 secs Computing kpt #: 73 total cpu time spent up to now is 116.9 secs Computing kpt #: 74 total cpu time spent up to now is 118.0 secs Computing kpt #: 75 total cpu time spent up to now is 119.1 secs Computing kpt #: 76 total cpu time spent up to now is 120.1 secs Computing kpt #: 77 total cpu time spent up to now is 121.2 secs Computing kpt #: 78 total cpu time spent up to now is 122.2 secs Computing kpt #: 79 total cpu time spent up to now is 123.3 secs Computing kpt #: 80 total cpu time spent up to now is 124.5 secs Computing kpt #: 81 total cpu time spent up to now is 125.5 secs Computing kpt #: 82 total cpu time spent up to now is 126.6 secs Computing kpt #: 83 total cpu time spent up to now is 127.6 secs Computing kpt #: 84 total cpu time spent up to now is 128.6 secs Computing kpt #: 85 total cpu time spent up to now is 129.7 secs Computing kpt #: 86 total cpu time spent up to now is 130.7 secs Computing kpt #: 87 total cpu time spent up to now is 131.8 secs Computing kpt #: 88 total cpu time spent up to now is 132.8 secs Computing kpt #: 89 total cpu time spent up to now is 133.8 secs Computing kpt #: 90 total cpu time spent up to now is 134.8 secs Computing kpt #: 91 total cpu time spent up to now is 135.8 secs Computing kpt #: 92 total cpu time spent up to now is 136.9 secs Computing kpt #: 93 total cpu time spent up to now is 137.9 secs Computing kpt #: 94 total cpu time spent up to now is 138.9 secs Computing kpt #: 95 total cpu time spent up to now is 139.9 secs Computing kpt #: 96 total cpu time spent up to now is 140.8 secs Computing kpt #: 97 total cpu time spent up to now is 141.8 secs Computing kpt #: 98 total cpu time spent up to now is 143.0 secs Computing kpt #: 99 total cpu time spent up to now is 144.0 secs Computing kpt #: 100 total cpu time spent up to now is 145.0 secs Computing kpt #: 101 total cpu time spent up to now is 146.0 secs Computing kpt #: 102 total cpu time spent up to now is 147.0 secs Computing kpt #: 103 total cpu time spent up to now is 148.1 secs Computing kpt #: 104 total cpu time spent up to now is 149.2 secs Computing kpt #: 105 total cpu time spent up to now is 150.1 secs Computing kpt #: 106 total cpu time spent up to now is 151.2 secs Computing kpt #: 107 total cpu time spent up to now is 152.1 secs Computing kpt #: 108 total cpu time spent up to now is 153.1 secs Computing kpt #: 109 total cpu time spent up to now is 154.3 secs Computing kpt #: 110 total cpu time spent up to now is 155.3 secs Computing kpt #: 111 total cpu time spent up to now is 156.2 secs Computing kpt #: 112 total cpu time spent up to now is 157.2 secs Computing kpt #: 113 total cpu time spent up to now is 158.2 secs Computing kpt #: 114 total cpu time spent up to now is 159.2 secs Computing kpt #: 115 total cpu time spent up to now is 160.2 secs Computing kpt #: 116 total cpu time spent up to now is 161.2 secs Computing kpt #: 117 total cpu time spent up to now is 162.1 secs Computing kpt #: 118 total cpu time spent up to now is 163.1 secs Computing kpt #: 119 total cpu time spent up to now is 164.1 secs Computing kpt #: 120 total cpu time spent up to now is 165.1 secs Computing kpt #: 121 total cpu time spent up to now is 166.1 secs Computing kpt #: 122 total cpu time spent up to now is 167.0 secs Computing kpt #: 123 total cpu time spent up to now is 168.0 secs Computing kpt #: 124 total cpu time spent up to now is 168.9 secs Computing kpt #: 125 total cpu time spent up to now is 169.9 secs Computing kpt #: 126 total cpu time spent up to now is 170.8 secs Computing kpt #: 127 total cpu time spent up to now is 171.7 secs Computing kpt #: 128 total cpu time spent up to now is 172.7 secs Computing kpt #: 129 total cpu time spent up to now is 173.5 secs Computing kpt #: 130 total cpu time spent up to now is 174.4 secs Computing kpt #: 131 total cpu time spent up to now is 175.2 secs Computing kpt #: 132 total cpu time spent up to now is 176.1 secs Computing kpt #: 133 total cpu time spent up to now is 176.8 secs Computing kpt #: 134 total cpu time spent up to now is 177.7 secs Computing kpt #: 135 total cpu time spent up to now is 178.5 secs Computing kpt #: 136 total cpu time spent up to now is 179.4 secs Computing kpt #: 137 total cpu time spent up to now is 180.2 secs Computing kpt #: 138 total cpu time spent up to now is 180.9 secs Computing kpt #: 139 total cpu time spent up to now is 181.7 secs Computing kpt #: 140 total cpu time spent up to now is 182.4 secs Computing kpt #: 141 total cpu time spent up to now is 183.2 secs Computing kpt #: 142 total cpu time spent up to now is 184.1 secs Computing kpt #: 143 total cpu time spent up to now is 184.9 secs Computing kpt #: 144 total cpu time spent up to now is 185.6 secs Computing kpt #: 145 total cpu time spent up to now is 186.5 secs Computing kpt #: 146 total cpu time spent up to now is 187.2 secs Computing kpt #: 147 total cpu time spent up to now is 188.0 secs Computing kpt #: 148 total cpu time spent up to now is 188.8 secs Computing kpt #: 149 total cpu time spent up to now is 189.6 secs Computing kpt #: 150 total cpu time spent up to now is 190.4 secs Computing kpt #: 151 total cpu time spent up to now is 191.2 secs Computing kpt #: 152 total cpu time spent up to now is 192.0 secs Computing kpt #: 153 total cpu time spent up to now is 192.8 secs Computing kpt #: 154 total cpu time spent up to now is 193.6 secs Computing kpt #: 155 total cpu time spent up to now is 194.3 secs Computing kpt #: 156 total cpu time spent up to now is 195.1 secs Computing kpt #: 157 total cpu time spent up to now is 196.0 secs Computing kpt #: 158 total cpu time spent up to now is 196.8 secs Computing kpt #: 159 total cpu time spent up to now is 197.6 secs Computing kpt #: 160 total cpu time spent up to now is 198.4 secs Computing kpt #: 161 total cpu time spent up to now is 199.1 secs Computing kpt #: 162 total cpu time spent up to now is 199.9 secs Computing kpt #: 163 total cpu time spent up to now is 200.7 secs Computing kpt #: 164 total cpu time spent up to now is 201.5 secs Computing kpt #: 165 total cpu time spent up to now is 202.3 secs Computing kpt #: 166 total cpu time spent up to now is 203.1 secs Computing kpt #: 167 total cpu time spent up to now is 203.9 secs Computing kpt #: 168 total cpu time spent up to now is 204.7 secs Computing kpt #: 169 total cpu time spent up to now is 205.5 secs Computing kpt #: 170 total cpu time spent up to now is 206.3 secs Computing kpt #: 171 total cpu time spent up to now is 207.2 secs Computing kpt #: 172 total cpu time spent up to now is 208.1 secs Computing kpt #: 173 total cpu time spent up to now is 209.0 secs Computing kpt #: 174 total cpu time spent up to now is 209.9 secs Computing kpt #: 175 total cpu time spent up to now is 210.8 secs Computing kpt #: 176 total cpu time spent up to now is 211.7 secs Computing kpt #: 177 total cpu time spent up to now is 212.6 secs Computing kpt #: 178 total cpu time spent up to now is 213.6 secs Computing kpt #: 179 total cpu time spent up to now is 214.6 secs Computing kpt #: 180 total cpu time spent up to now is 215.5 secs Computing kpt #: 181 total cpu time spent up to now is 216.5 secs Computing kpt #: 182 total cpu time spent up to now is 217.5 secs Computing kpt #: 183 total cpu time spent up to now is 218.5 secs Computing kpt #: 184 total cpu time spent up to now is 219.6 secs Computing kpt #: 185 total cpu time spent up to now is 220.7 secs Computing kpt #: 186 total cpu time spent up to now is 221.8 secs Computing kpt #: 187 total cpu time spent up to now is 222.8 secs Computing kpt #: 188 total cpu time spent up to now is 223.9 secs Computing kpt #: 189 total cpu time spent up to now is 225.0 secs Computing kpt #: 190 total cpu time spent up to now is 226.1 secs Computing kpt #: 191 total cpu time spent up to now is 227.3 secs Computing kpt #: 192 total cpu time spent up to now is 228.3 secs Computing kpt #: 193 total cpu time spent up to now is 229.4 secs Computing kpt #: 194 total cpu time spent up to now is 230.5 secs Computing kpt #: 195 total cpu time spent up to now is 231.6 secs Computing kpt #: 196 total cpu time spent up to now is 232.8 secs Computing kpt #: 197 total cpu time spent up to now is 233.9 secs Computing kpt #: 198 total cpu time spent up to now is 234.9 secs Computing kpt #: 199 total cpu time spent up to now is 236.0 secs Computing kpt #: 200 total cpu time spent up to now is 237.1 secs Computing kpt #: 201 total cpu time spent up to now is 238.3 secs Computing kpt #: 202 total cpu time spent up to now is 239.4 secs Computing kpt #: 203 total cpu time spent up to now is 240.4 secs Computing kpt #: 204 total cpu time spent up to now is 241.5 secs Computing kpt #: 205 total cpu time spent up to now is 242.7 secs Computing kpt #: 206 total cpu time spent up to now is 243.8 secs Computing kpt #: 207 total cpu time spent up to now is 244.9 secs Computing kpt #: 208 total cpu time spent up to now is 246.2 secs Computing kpt #: 209 total cpu time spent up to now is 247.3 secs Computing kpt #: 210 total cpu time spent up to now is 248.4 secs Computing kpt #: 211 total cpu time spent up to now is 249.4 secs Computing kpt #: 212 total cpu time spent up to now is 250.6 secs Computing kpt #: 213 total cpu time spent up to now is 251.6 secs Computing kpt #: 214 total cpu time spent up to now is 252.6 secs Computing kpt #: 215 total cpu time spent up to now is 253.7 secs Computing kpt #: 216 total cpu time spent up to now is 254.7 secs Computing kpt #: 217 total cpu time spent up to now is 255.8 secs Computing kpt #: 218 total cpu time spent up to now is 256.9 secs Computing kpt #: 219 total cpu time spent up to now is 257.9 secs Computing kpt #: 220 total cpu time spent up to now is 259.0 secs Computing kpt #: 221 total cpu time spent up to now is 260.0 secs Computing kpt #: 222 total cpu time spent up to now is 261.2 secs Computing kpt #: 223 total cpu time spent up to now is 262.4 secs Computing kpt #: 224 total cpu time spent up to now is 263.5 secs Computing kpt #: 225 total cpu time spent up to now is 264.6 secs Computing kpt #: 226 total cpu time spent up to now is 265.6 secs Computing kpt #: 227 total cpu time spent up to now is 266.7 secs Computing kpt #: 228 total cpu time spent up to now is 267.8 secs Computing kpt #: 229 total cpu time spent up to now is 268.8 secs Computing kpt #: 230 total cpu time spent up to now is 269.9 secs Computing kpt #: 231 total cpu time spent up to now is 270.9 secs Computing kpt #: 232 total cpu time spent up to now is 272.0 secs Computing kpt #: 233 total cpu time spent up to now is 273.0 secs Computing kpt #: 234 total cpu time spent up to now is 274.2 secs Computing kpt #: 235 total cpu time spent up to now is 275.2 secs Computing kpt #: 236 total cpu time spent up to now is 276.3 secs Computing kpt #: 237 total cpu time spent up to now is 277.3 secs Computing kpt #: 238 total cpu time spent up to now is 278.4 secs Computing kpt #: 239 total cpu time spent up to now is 279.4 secs Computing kpt #: 240 total cpu time spent up to now is 280.5 secs Computing kpt #: 241 total cpu time spent up to now is 281.5 secs Computing kpt #: 242 total cpu time spent up to now is 282.6 secs Computing kpt #: 243 total cpu time spent up to now is 283.6 secs Computing kpt #: 244 total cpu time spent up to now is 284.6 secs Computing kpt #: 245 total cpu time spent up to now is 285.8 secs Computing kpt #: 246 total cpu time spent up to now is 286.9 secs Computing kpt #: 247 total cpu time spent up to now is 288.0 secs Computing kpt #: 248 total cpu time spent up to now is 289.1 secs Computing kpt #: 249 total cpu time spent up to now is 290.6 secs Computing kpt #: 250 total cpu time spent up to now is 291.6 secs Computing kpt #: 251 total cpu time spent up to now is 292.6 secs Computing kpt #: 252 total cpu time spent up to now is 293.6 secs Computing kpt #: 253 total cpu time spent up to now is 294.6 secs Computing kpt #: 254 total cpu time spent up to now is 295.6 secs Computing kpt #: 255 total cpu time spent up to now is 296.7 secs Computing kpt #: 256 total cpu time spent up to now is 298.0 secs Computing kpt #: 257 total cpu time spent up to now is 299.1 secs Computing kpt #: 258 total cpu time spent up to now is 300.2 secs Computing kpt #: 259 total cpu time spent up to now is 301.4 secs Computing kpt #: 260 total cpu time spent up to now is 302.5 secs Computing kpt #: 261 total cpu time spent up to now is 303.6 secs Computing kpt #: 262 total cpu time spent up to now is 304.7 secs Computing kpt #: 263 total cpu time spent up to now is 305.8 secs Computing kpt #: 264 total cpu time spent up to now is 306.9 secs Computing kpt #: 265 total cpu time spent up to now is 308.0 secs Computing kpt #: 266 total cpu time spent up to now is 309.2 secs Computing kpt #: 267 total cpu time spent up to now is 310.3 secs Computing kpt #: 268 total cpu time spent up to now is 311.4 secs Computing kpt #: 269 total cpu time spent up to now is 312.5 secs Computing kpt #: 270 total cpu time spent up to now is 313.7 secs Computing kpt #: 271 total cpu time spent up to now is 315.0 secs Computing kpt #: 272 total cpu time spent up to now is 316.0 secs Computing kpt #: 273 total cpu time spent up to now is 317.0 secs Computing kpt #: 274 total cpu time spent up to now is 318.1 secs Computing kpt #: 275 total cpu time spent up to now is 319.1 secs Computing kpt #: 276 total cpu time spent up to now is 320.1 secs Computing kpt #: 277 total cpu time spent up to now is 321.3 secs Computing kpt #: 278 total cpu time spent up to now is 322.3 secs Computing kpt #: 279 total cpu time spent up to now is 323.3 secs Computing kpt #: 280 total cpu time spent up to now is 324.4 secs Computing kpt #: 281 total cpu time spent up to now is 325.4 secs Computing kpt #: 282 total cpu time spent up to now is 326.4 secs Computing kpt #: 283 total cpu time spent up to now is 327.6 secs Computing kpt #: 284 total cpu time spent up to now is 328.7 secs Computing kpt #: 285 total cpu time spent up to now is 329.7 secs Computing kpt #: 286 total cpu time spent up to now is 330.8 secs Computing kpt #: 287 total cpu time spent up to now is 331.8 secs Computing kpt #: 288 total cpu time spent up to now is 332.8 secs Computing kpt #: 289 total cpu time spent up to now is 333.9 secs Computing kpt #: 290 total cpu time spent up to now is 334.9 secs Computing kpt #: 291 total cpu time spent up to now is 335.9 secs Computing kpt #: 292 total cpu time spent up to now is 337.0 secs Computing kpt #: 293 total cpu time spent up to now is 338.0 secs Computing kpt #: 294 total cpu time spent up to now is 339.1 secs Computing kpt #: 295 total cpu time spent up to now is 340.1 secs Computing kpt #: 296 total cpu time spent up to now is 341.1 secs Computing kpt #: 297 total cpu time spent up to now is 342.2 secs Computing kpt #: 298 total cpu time spent up to now is 343.2 secs Computing kpt #: 299 total cpu time spent up to now is 344.2 secs Computing kpt #: 300 total cpu time spent up to now is 345.3 secs Computing kpt #: 301 total cpu time spent up to now is 346.3 secs Computing kpt #: 302 total cpu time spent up to now is 347.4 secs ethr = 2.94E-11, avg # of iterations = 31.9 total cpu time spent up to now is 347.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2795 PWs) bands (ev): -23.6306 -23.6306 -17.9006 -17.9006 -14.1461 -14.1461 -14.1370 -14.1370 -9.1965 -9.1965 -7.2190 -7.2190 -7.0073 -7.0073 -6.8521 -6.8521 -3.2048 -3.2048 -3.1685 -3.1685 -1.9098 -1.9098 1.5721 1.5721 1.5868 1.5868 1.9066 1.9066 1.9140 1.9140 2.6742 2.6742 2.8170 2.8170 4.8623 4.8623 8.0385 8.0385 8.0822 8.0822 9.8455 9.8455 k = 0.0132-0.0011-0.0010 ( 2803 PWs) bands (ev): -23.6306 -23.6306 -17.9005 -17.9005 -14.1463 -14.1462 -14.1372 -14.1372 -9.1971 -9.1956 -7.2253 -7.2131 -7.0076 -7.0076 -6.8576 -6.8466 -3.2052 -3.2038 -3.1683 -3.1683 -1.9106 -1.9087 1.5716 1.5718 1.5863 1.5866 1.9062 1.9065 1.9135 1.9139 2.6734 2.6736 2.8178 2.8190 4.8625 4.8631 8.0385 8.0390 8.0823 8.0824 9.8475 9.8476 k = 0.0263-0.0022-0.0020 ( 2806 PWs) bands (ev): -23.6305 -23.6305 -17.9001 -17.9001 -14.1469 -14.1467 -14.1376 -14.1376 -9.1972 -9.1943 -7.2318 -7.2075 -7.0086 -7.0084 -6.8630 -6.8412 -3.2053 -3.2024 -3.1677 -3.1676 -1.9110 -1.9073 1.5703 1.5705 1.5851 1.5856 1.9055 1.9060 1.9126 1.9133 2.6712 2.6715 2.8215 2.8238 4.8637 4.8649 8.0388 8.0397 8.0831 8.0834 9.8534 9.8537 k = 0.0395-0.0033-0.0031 ( 2806 PWs) bands (ev): -23.6304 -23.6304 -17.8995 -17.8995 -14.1481 -14.1478 -14.1382 -14.1382 -9.1970 -9.1925 -7.2385 -7.2022 -7.0103 -7.0097 -6.8682 -6.8359 -3.2049 -3.2006 -3.1666 -3.1665 -1.9112 -1.9056 1.5679 1.5683 1.5833 1.5841 1.9045 1.9052 1.9114 1.9124 2.6676 2.6681 2.8279 2.8312 4.8660 4.8678 8.0389 8.0404 8.0848 8.0853 9.8634 9.8638 k = 0.0526-0.0044-0.0041 ( 2810 PWs) bands (ev): -23.6302 -23.6302 -17.8986 -17.8986 -14.1500 -14.1496 -14.1388 -14.1387 -9.1963 -9.1905 -7.2455 -7.1973 -7.0129 -7.0114 -6.8730 -6.8309 -3.2042 -3.1984 -3.1651 -3.1648 -1.9111 -1.9037 1.5641 1.5647 1.5811 1.5822 1.9034 1.9042 1.9098 1.9113 2.6627 2.6633 2.8368 2.8412 4.8693 4.8716 8.0384 8.0403 8.0881 8.0887 9.8773 9.8779 k = 0.0658-0.0055-0.0051 ( 2808 PWs) bands (ev): -23.6300 -23.6300 -17.8975 -17.8975 -14.1528 -14.1522 -14.1391 -14.1390 -9.1953 -9.1880 -7.2526 -7.1927 -7.0164 -7.0136 -6.8774 -6.8260 -3.2030 -3.1957 -3.1632 -3.1628 -1.9107 -1.9015 1.5586 1.5595 1.5788 1.5802 1.9023 1.9029 1.9084 1.9102 2.6565 2.6573 2.8481 2.8535 4.8735 4.8765 8.0367 8.0391 8.0934 8.0942 9.8951 9.8958 k = 0.0789-0.0066-0.0061 ( 2814 PWs) bands (ev): -23.6298 -23.6298 -17.8962 -17.8962 -14.1563 -14.1557 -14.1392 -14.1391 -9.1939 -9.1852 -7.2599 -7.1886 -7.0208 -7.0160 -6.8813 -6.8215 -3.2015 -3.1927 -3.1609 -3.1602 -1.9100 -1.8991 1.5513 1.5525 1.5764 1.5781 1.9008 1.9013 1.9074 1.9098 2.6490 2.6499 2.8615 2.8678 4.8788 4.8823 8.0336 8.0363 8.1010 8.1018 9.9166 9.9175 k = 0.0921-0.0077-0.0072 ( 2816 PWs) bands (ev): -23.6295 -23.6295 -17.8947 -17.8946 -14.1607 -14.1600 -14.1391 -14.1390 -9.1922 -9.1822 -7.2673 -7.1849 -7.0262 -7.0188 -6.8845 -6.8172 -3.1997 -3.1894 -3.1582 -3.1572 -1.9091 -1.8966 1.5421 1.5435 1.5741 1.5760 1.8986 1.8990 1.9079 1.9104 2.6403 2.6414 2.8768 2.8839 4.8850 4.8890 8.0289 8.0319 8.1108 8.1116 9.9419 9.9430 k = 0.1053-0.0088-0.0082 ( 2816 PWs) bands (ev): -23.6292 -23.6292 -17.8929 -17.8928 -14.1658 -14.1650 -14.1388 -14.1387 -9.1901 -9.1788 -7.2748 -7.1817 -7.0324 -7.0219 -6.8870 -6.8132 -3.1975 -3.1857 -3.1551 -3.1538 -1.9081 -1.8940 1.5310 1.5326 1.5718 1.5738 1.8957 1.8961 1.9099 1.9125 2.6306 2.6318 2.8936 2.9015 4.8922 4.8966 8.0229 8.0261 8.1226 8.1233 9.9708 9.9721 k = 0.1184-0.0099-0.0092 ( 2816 PWs) bands (ev): -23.6288 -23.6288 -17.8910 -17.8909 -14.1715 -14.1706 -14.1385 -14.1384 -9.1877 -9.1752 -7.2824 -7.1790 -7.0396 -7.0252 -6.8888 -6.8095 -3.1952 -3.1818 -3.1516 -3.1499 -1.9069 -1.8913 1.5181 1.5201 1.5695 1.5716 1.8921 1.8926 1.9136 1.9161 2.6199 2.6213 2.9119 2.9203 4.9002 4.9051 8.0155 8.0190 8.1362 8.1368 10.0032 10.0046 k = 0.1316-0.0110-0.0102 ( 2818 PWs) bands (ev): -23.6284 -23.6284 -17.8888 -17.8887 -14.1778 -14.1769 -14.1380 -14.1379 -9.1850 -9.1714 -7.2899 -7.1769 -7.0475 -7.0288 -6.8898 -6.8060 -3.1926 -3.1777 -3.1477 -3.1455 -1.9056 -1.8886 1.5038 1.5060 1.5670 1.5692 1.8879 1.8885 1.9190 1.9213 2.6082 2.6098 2.9312 2.9402 4.9091 4.9144 8.0070 8.0107 8.1513 8.1519 10.0390 10.0405 k = 0.1447-0.0122-0.0112 ( 2816 PWs) bands (ev): -23.6280 -23.6280 -17.8865 -17.8864 -14.1847 -14.1837 -14.1375 -14.1374 -9.1820 -9.1674 -7.2975 -7.1754 -7.0559 -7.0326 -6.8902 -6.8028 -3.1898 -3.1735 -3.1434 -3.1408 -1.9042 -1.8860 1.4881 1.4905 1.5645 1.5668 1.8832 1.8839 1.9259 1.9281 2.5959 2.5975 2.9515 2.9610 4.9187 4.9244 7.9974 8.0013 8.1678 8.1683 10.0779 10.0796 k = 0.1579-0.0133-0.0123 ( 2818 PWs) bands (ev): -23.6275 -23.6275 -17.8840 -17.8839 -14.1920 -14.1909 -14.1369 -14.1368 -9.1789 -9.1633 -7.3050 -7.1746 -7.0647 -7.0365 -6.8899 -6.7999 -3.1869 -3.1693 -3.1387 -3.1357 -1.9028 -1.8835 1.4714 1.4740 1.5620 1.5643 1.8781 1.8788 1.9343 1.9363 2.5828 2.5846 2.9725 2.9825 4.9291 4.9351 7.9867 7.9908 8.1854 8.1858 10.1199 10.1218 k = 0.1711-0.0144-0.0133 ( 2820 PWs) bands (ev): -23.6271 -23.6271 -17.8814 -17.8812 -14.1997 -14.1986 -14.1362 -14.1362 -9.1755 -9.1590 -7.3124 -7.1746 -7.0737 -7.0406 -6.8890 -6.7972 -3.1839 -3.1651 -3.1336 -3.1302 -1.9014 -1.8811 1.4538 1.4567 1.5593 1.5618 1.8726 1.8732 1.9440 1.9458 2.5692 2.5711 2.9941 3.0045 4.9401 4.9463 7.9749 7.9793 8.2040 8.2044 10.1647 10.1668 k = 0.1842-0.0155-0.0143 ( 2824 PWs) bands (ev): -23.6266 -23.6266 -17.8786 -17.8785 -14.2078 -14.2067 -14.1356 -14.1355 -9.1719 -9.1547 -7.3197 -7.1756 -7.0826 -7.0449 -6.8876 -6.7948 -3.1808 -3.1610 -3.1281 -3.1243 -1.9001 -1.8789 1.4357 1.4388 1.5566 1.5591 1.8666 1.8673 1.9550 1.9565 2.5552 2.5572 3.0163 3.0269 4.9517 4.9581 7.9622 7.9668 8.2235 8.2238 10.2122 10.2145 k = 0.1974-0.0166-0.0153 ( 2826 PWs) bands (ev): -23.6260 -23.6260 -17.8757 -17.8756 -14.2162 -14.2150 -14.1348 -14.1348 -9.1682 -9.1504 -7.3268 -7.1776 -7.0911 -7.0492 -6.8857 -6.7926 -3.1776 -3.1570 -3.1222 -3.1182 -1.8989 -1.8769 1.4173 1.4206 1.5539 1.5564 1.8603 1.8609 1.9669 1.9683 2.5408 2.5430 3.0388 3.0496 4.9638 4.9704 7.9486 7.9534 8.2436 8.2439 10.2623 10.2647 k = 0.2105-0.0177-0.0164 ( 2828 PWs) bands (ev): -23.6255 -23.6255 -17.8728 -17.8726 -14.2248 -14.2236 -14.1341 -14.1340 -9.1644 -9.1460 -7.3337 -7.1809 -7.0990 -7.0536 -6.8833 -6.7906 -3.1744 -3.1532 -3.1160 -3.1118 -1.8978 -1.8752 1.3989 1.4022 1.5511 1.5537 1.8536 1.8541 1.9797 1.9809 2.5263 2.5285 3.0616 3.0726 4.9763 4.9830 7.9340 7.9390 8.2643 8.2645 10.3145 10.3172 k = 0.2237-0.0188-0.0174 ( 2826 PWs) bands (ev): -23.6249 -23.6249 -17.8697 -17.8696 -14.2335 -14.2324 -14.1333 -14.1333 -9.1606 -9.1417 -7.3403 -7.1856 -7.1059 -7.0580 -6.8806 -6.7888 -3.1712 -3.1496 -3.1094 -3.1052 -1.8968 -1.8738 1.3805 1.3840 1.5484 1.5509 1.8466 1.8471 1.9932 1.9942 2.5117 2.5140 3.0846 3.0957 4.9891 4.9959 7.9186 7.9238 8.2853 8.2855 10.3689 10.3717 k = 0.2368-0.0199-0.0184 ( 2825 PWs) bands (ev): -23.6244 -23.6244 -17.8666 -17.8665 -14.2424 -14.2413 -14.1326 -14.1325 -9.1566 -9.1375 -7.3466 -7.1917 -7.1118 -7.0625 -6.8775 -6.7872 -3.1681 -3.1462 -3.1027 -3.0985 -1.8960 -1.8727 1.3625 1.3660 1.5456 1.5480 1.8393 1.8398 2.0071 2.0080 2.4971 2.4995 3.1078 3.1189 5.0022 5.0090 7.9025 7.9077 8.3066 8.3067 10.4250 10.4280 k = 0.2500-0.0210-0.0194 ( 2821 PWs) bands (ev): -23.6238 -23.6238 -17.8635 -17.8633 -14.2514 -14.2502 -14.1318 -14.1317 -9.1527 -9.1334 -7.3525 -7.1991 -7.1166 -7.0670 -6.8741 -6.7858 -3.1649 -3.1429 -3.0957 -3.0916 -1.8954 -1.8720 1.3449 1.3484 1.5427 1.5452 1.8318 1.8322 2.0214 2.0220 2.4826 2.4851 3.1312 3.1422 5.0153 5.0221 7.8856 7.8910 8.3279 8.3280 10.4826 10.4857 k = 0.2632-0.0221-0.0205 ( 2819 PWs) bands (ev): -23.6232 -23.6232 -17.8604 -17.8602 -14.2603 -14.2592 -14.1310 -14.1309 -9.1487 -9.1294 -7.3581 -7.2076 -7.1205 -7.0715 -6.8705 -6.7846 -3.1618 -3.1399 -3.0887 -3.0846 -1.8950 -1.8716 1.3279 1.3314 1.5399 1.5423 1.8242 1.8245 2.0357 2.0363 2.4684 2.4709 3.1545 3.1654 5.0286 5.0353 7.8681 7.8736 8.3491 8.3491 10.5414 10.5447 k = 0.2763-0.0232-0.0215 ( 2824 PWs) bands (ev): -23.6227 -23.6227 -17.8572 -17.8571 -14.2692 -14.2681 -14.1302 -14.1301 -9.1448 -9.1256 -7.3632 -7.2169 -7.1236 -7.0759 -6.8667 -6.7836 -3.1588 -3.1372 -3.0816 -3.0777 -1.8947 -1.8715 1.3115 1.3151 1.5371 1.5394 1.8165 1.8168 2.0500 2.0504 2.4545 2.4570 3.1778 3.1885 5.0417 5.0483 7.8501 7.8556 8.3700 8.3700 10.6011 10.6046 k = 0.2895-0.0243-0.0225 ( 2826 PWs) bands (ev): -23.6221 -23.6221 -17.8541 -17.8540 -14.2779 -14.2768 -14.1294 -14.1294 -9.1410 -9.1220 -7.3679 -7.2269 -7.1261 -7.0803 -6.8627 -6.7828 -3.1558 -3.1346 -3.0745 -3.0707 -1.8946 -1.8718 1.2959 1.2994 1.5343 1.5365 1.8089 1.8090 2.0641 2.0645 2.4410 2.4435 3.2011 3.2115 5.0547 5.0611 7.8318 7.8372 8.3906 8.3906 10.6614 10.6650 k = 0.3026-0.0254-0.0235 ( 2823 PWs) bands (ev): -23.6216 -23.6216 -17.8511 -17.8509 -14.2865 -14.2854 -14.1286 -14.1286 -9.1372 -9.1186 -7.3721 -7.2372 -7.1281 -7.0846 -6.8585 -6.7822 -3.1529 -3.1323 -3.0675 -3.0639 -1.8946 -1.8723 1.2812 1.2846 1.5315 1.5337 1.8012 1.8013 2.0779 2.0782 2.4280 2.4305 3.2241 3.2342 5.0675 5.0737 7.8131 7.8186 8.4106 8.4106 10.7219 10.7256 k = 0.3158-0.0265-0.0245 ( 2825 PWs) bands (ev): -23.6211 -23.6211 -17.8481 -17.8480 -14.2948 -14.2938 -14.1279 -14.1279 -9.1335 -9.1154 -7.3758 -7.2477 -7.1297 -7.0887 -6.8542 -6.7818 -3.1502 -3.1302 -3.0606 -3.0572 -1.8948 -1.8732 1.2673 1.2706 1.5287 1.5308 1.7938 1.7938 2.0913 2.0914 2.4156 2.4180 3.2468 3.2566 5.0800 5.0859 7.7944 7.7997 8.4300 8.4300 10.7822 10.7860 k = 0.3289-0.0276-0.0256 ( 2829 PWs) bands (ev): -23.6206 -23.6206 -17.8453 -17.8451 -14.3028 -14.3018 -14.1272 -14.1271 -9.1300 -9.1125 -7.3789 -7.2582 -7.1310 -7.0928 -6.8499 -6.7816 -3.1475 -3.1283 -3.0539 -3.0508 -1.8951 -1.8743 1.2544 1.2575 1.5260 1.5279 1.7864 1.7865 2.1041 2.1041 2.4037 2.4061 3.2690 3.2784 5.0920 5.0976 7.7756 7.7809 8.4486 8.4487 10.8419 10.8457 k = 0.3421-0.0287-0.0266 ( 2829 PWs) bands (ev): -23.6201 -23.6201 -17.8425 -17.8424 -14.3104 -14.3095 -14.1265 -14.1265 -9.1265 -9.1099 -7.3815 -7.2686 -7.1320 -7.0967 -6.8455 -6.7816 -3.1449 -3.1267 -3.0474 -3.0445 -1.8955 -1.8756 1.2424 1.2454 1.5233 1.5251 1.7794 1.7796 2.1162 2.1162 2.3926 2.3948 3.2907 3.2996 5.1035 5.1088 7.7572 7.7623 8.4663 8.4664 10.9004 10.9042 k = 0.3553-0.0298-0.0276 ( 2830 PWs) bands (ev): -23.6196 -23.6196 -17.8399 -17.8398 -14.3177 -14.3168 -14.1258 -14.1258 -9.1232 -9.1075 -7.3835 -7.2789 -7.1328 -7.1005 -6.8411 -6.7818 -3.1424 -3.1253 -3.0412 -3.0386 -1.8959 -1.8771 1.2313 1.2342 1.5207 1.5223 1.7728 1.7730 2.1275 2.1275 2.3821 2.3843 3.3117 3.3201 5.1144 5.1194 7.7391 7.7440 8.4830 8.4831 10.9573 10.9611 k = 0.3684-0.0309-0.0286 ( 2831 PWs) bands (ev): -23.6192 -23.6192 -17.8374 -17.8373 -14.3245 -14.3236 -14.1252 -14.1252 -9.1201 -9.1054 -7.3849 -7.2889 -7.1335 -7.1042 -6.8368 -6.7822 -3.1401 -3.1241 -3.0354 -3.0330 -1.8963 -1.8788 1.2213 1.2239 1.5181 1.5196 1.7666 1.7668 2.1380 2.1381 2.3725 2.3745 3.3318 3.3395 5.1247 5.1293 7.7217 7.7263 8.4987 8.4988 11.0121 11.0158 k = 0.3816-0.0320-0.0297 ( 2839 PWs) bands (ev): -23.6188 -23.6188 -17.8352 -17.8350 -14.3307 -14.3300 -14.1247 -14.1246 -9.1172 -9.1036 -7.3857 -7.2986 -7.1340 -7.1076 -6.8324 -6.7829 -3.1379 -3.1232 -3.0300 -3.0278 -1.8968 -1.8806 1.2122 1.2147 1.5156 1.5170 1.7609 1.7611 2.1476 2.1477 2.3636 2.3655 3.3507 3.3579 5.1342 5.1385 7.7052 7.7095 8.5131 8.5132 11.0642 11.0678 k = 0.3947-0.0331-0.0307 ( 2843 PWs) bands (ev): -23.6184 -23.6184 -17.8331 -17.8330 -14.3364 -14.3358 -14.1241 -14.1241 -9.1145 -9.1021 -7.3859 -7.3079 -7.1342 -7.1109 -6.8282 -6.7838 -3.1358 -3.1224 -3.0250 -3.0230 -1.8971 -1.8825 1.2042 1.2063 1.5133 1.5145 1.7557 1.7560 2.1563 2.1564 2.3556 2.3574 3.3684 3.3749 5.1429 5.1468 7.6897 7.6937 8.5262 8.5263 11.1130 11.1164 k = 0.4079-0.0343-0.0317 ( 2848 PWs) bands (ev): -23.6181 -23.6181 -17.8312 -17.8311 -14.3416 -14.3410 -14.1237 -14.1237 -9.1119 -9.1009 -7.3854 -7.3168 -7.1344 -7.1140 -6.8240 -6.7849 -3.1338 -3.1219 -3.0205 -3.0188 -1.8974 -1.8843 1.1971 1.1990 1.5111 1.5122 1.7510 1.7513 2.1640 2.1642 2.3485 2.3501 3.3846 3.3904 5.1508 5.1542 7.6755 7.6790 8.5380 8.5381 11.1579 11.1611 k = 0.4211-0.0354-0.0327 ( 2850 PWs) bands (ev): -23.6178 -23.6178 -17.8295 -17.8294 -14.3461 -14.3456 -14.1233 -14.1232 -9.1096 -9.0999 -7.3844 -7.3252 -7.1343 -7.1168 -6.8200 -6.7862 -3.1320 -3.1216 -3.0165 -3.0150 -1.8976 -1.8862 1.1910 1.1927 1.5092 1.5100 1.7470 1.7473 2.1708 2.1709 2.3423 2.3437 3.3992 3.4042 5.1578 5.1608 7.6627 7.6658 8.5484 8.5485 11.1984 11.2013 k = 0.4342-0.0365-0.0337 ( 2844 PWs) bands (ev): -23.6176 -23.6176 -17.8281 -17.8280 -14.3500 -14.3495 -14.1229 -14.1229 -9.1074 -9.0993 -7.3827 -7.3332 -7.1340 -7.1195 -6.8161 -6.7878 -3.1302 -3.1215 -3.0130 -3.0118 -1.8976 -1.8880 1.1858 1.1873 1.5074 1.5082 1.7436 1.7439 2.1765 2.1767 2.3370 2.3382 3.4120 3.4162 5.1639 5.1664 7.6516 7.6543 8.5573 8.5574 11.2339 11.2364 k = 0.4474-0.0376-0.0348 ( 2850 PWs) bands (ev): -23.6174 -23.6174 -17.8269 -17.8268 -14.3532 -14.3528 -14.1226 -14.1226 -9.1055 -9.0989 -7.3804 -7.3406 -7.1335 -7.1219 -6.8123 -6.7896 -3.1287 -3.1216 -3.0101 -3.0091 -1.8975 -1.8897 1.1817 1.1828 1.5060 1.5066 1.7408 1.7410 2.1813 2.1814 2.3327 2.3337 3.4227 3.4262 5.1689 5.1709 7.6423 7.6445 8.5646 8.5647 11.2638 11.2659 k = 0.4605-0.0387-0.0358 ( 2846 PWs) bands (ev): -23.6172 -23.6172 -17.8259 -17.8259 -14.3557 -14.3554 -14.1224 -14.1224 -9.1038 -9.0988 -7.3775 -7.3476 -7.1328 -7.1241 -6.8087 -6.7916 -3.1272 -3.1219 -3.0078 -3.0070 -1.8972 -1.8913 1.1785 1.1794 1.5048 1.5053 1.7386 1.7388 2.1849 2.1850 2.3294 2.3301 3.4313 3.4339 5.1729 5.1745 7.6350 7.6366 8.5704 8.5704 11.2877 11.2893 k = 0.4737-0.0398-0.0368 ( 2848 PWs) bands (ev): -23.6171 -23.6171 -17.8253 -17.8252 -14.3574 -14.3573 -14.1222 -14.1222 -9.1024 -9.0990 -7.3740 -7.3540 -7.1319 -7.1261 -6.8053 -6.7939 -3.1260 -3.1224 -3.0061 -3.0056 -1.8967 -1.8927 1.1763 1.1768 1.5040 1.5043 1.7371 1.7372 2.1876 2.1876 2.3270 2.3275 3.4377 3.4395 5.1759 5.1769 7.6297 7.6309 8.5745 8.5745 11.3051 11.3063 k = 0.4868-0.0409-0.0378 ( 2844 PWs) bands (ev): -23.6170 -23.6170 -17.8248 -17.8248 -14.3585 -14.3584 -14.1221 -14.1221 -9.1011 -9.0995 -7.3699 -7.3599 -7.1308 -7.1279 -6.8022 -6.7964 -3.1248 -3.1230 -3.0050 -3.0048 -1.8960 -1.8940 1.1750 1.1753 1.5035 1.5037 1.7362 1.7362 2.1892 2.1892 2.3257 2.3259 3.4418 3.4426 5.1778 5.1783 7.6267 7.6273 8.5770 8.5770 11.3159 11.3164 k = 0.5000-0.0420-0.0389 ( 2846 PWs) bands (ev): -23.6170 -23.6170 -17.8247 -17.8247 -14.3588 -14.3588 -14.1221 -14.1221 -9.1002 -9.1002 -7.3652 -7.3652 -7.1294 -7.1294 -6.7992 -6.7992 -3.1238 -3.1238 -3.0046 -3.0046 -1.8951 -1.8951 1.1747 1.1747 1.5034 1.5034 1.7359 1.7359 2.1897 2.1897 2.3253 2.3253 3.4434 3.4434 5.1786 5.1786 7.6259 7.6259 8.5778 8.5778 11.3196 11.3196 k = 0.5000-0.0420-0.0389 ( 2846 PWs) bands (ev): -23.6170 -23.6170 -17.8247 -17.8247 -14.3588 -14.3588 -14.1221 -14.1221 -9.1002 -9.1002 -7.3652 -7.3652 -7.1294 -7.1294 -6.7992 -6.7992 -3.1238 -3.1238 -3.0046 -3.0046 -1.8951 -1.8951 1.1747 1.1747 1.5034 1.5034 1.7359 1.7359 2.1897 2.1897 2.3253 2.3253 3.4434 3.4434 5.1786 5.1786 7.6259 7.6259 8.5778 8.5778 11.3196 11.3196 k = 0.5000-0.0328-0.0487 ( 2848 PWs) bands (ev): -23.6170 -23.6170 -17.8245 -17.8245 -14.3590 -14.3587 -14.1227 -14.1223 -9.1002 -9.0992 -7.3685 -7.3623 -7.1328 -7.1260 -6.8024 -6.7970 -3.1354 -3.1205 -3.0077 -2.9926 -1.8960 -1.8938 1.1725 1.1740 1.5032 1.5042 1.7365 1.7377 2.1870 2.1900 2.3247 2.3274 3.4438 3.4445 5.1789 5.1794 7.6251 7.6271 8.5760 8.5777 11.3201 11.3202 k = 0.5000-0.0237-0.0586 ( 2848 PWs) bands (ev): -23.6169 -23.6169 -17.8240 -17.8240 -14.3594 -14.3587 -14.1241 -14.1234 -9.0992 -9.0971 -7.3721 -7.3599 -7.1360 -7.1226 -6.8067 -6.7960 -3.1516 -3.1265 -3.0009 -2.9754 -1.8964 -1.8920 1.1677 1.1706 1.5037 1.5057 1.7395 1.7418 2.1821 2.1878 2.3258 2.3309 3.4457 3.4470 5.1803 5.1814 7.6248 7.6288 8.5721 8.5757 11.3214 11.3217 k = 0.5000-0.0146-0.0685 ( 2844 PWs) bands (ev): -23.6168 -23.6168 -17.8231 -17.8230 -14.3598 -14.3587 -14.1264 -14.1253 -9.0972 -9.0942 -7.3761 -7.3580 -7.1390 -7.1191 -6.8121 -6.7960 -3.1701 -3.1394 -2.9866 -2.9553 -1.8963 -1.8899 1.1604 1.1647 1.5047 1.5077 1.7447 1.7482 2.1756 2.1835 2.3283 2.3355 3.4491 3.4511 5.1827 5.1843 7.6249 7.6309 8.5663 8.5717 11.3238 11.3242 k = 0.5000-0.0054-0.0784 ( 2852 PWs) bands (ev): -23.6167 -23.6167 -17.8218 -17.8218 -14.3603 -14.3589 -14.1294 -14.1280 -9.0944 -9.0903 -7.3803 -7.3567 -7.1419 -7.1157 -6.8184 -6.7971 -3.1894 -3.1557 -2.9681 -2.9338 -1.8959 -1.8873 1.1509 1.1563 1.5062 1.5100 1.7521 1.7565 2.1677 2.1775 2.3321 2.3408 3.4539 3.4564 5.1860 5.1882 7.6255 7.6334 8.5585 8.5657 11.3270 11.3276 k = 0.5000 0.0037-0.0883 ( 2848 PWs) bands (ev): -23.6166 -23.6166 -17.8202 -17.8201 -14.3609 -14.3591 -14.1332 -14.1314 -9.0907 -9.0857 -7.3847 -7.3559 -7.1445 -7.1124 -6.8258 -6.7992 -3.2087 -3.1734 -2.9477 -2.9116 -1.8951 -1.8844 1.1396 1.1460 1.5079 1.5126 1.7614 1.7667 2.1592 2.1703 2.3368 2.3466 3.4599 3.4631 5.1903 5.1929 7.6264 7.6364 8.5489 8.5579 11.3311 11.3318 k = 0.5000 0.0129-0.0981 ( 2850 PWs) bands (ev): -23.6164 -23.6164 -17.8182 -17.8181 -14.3616 -14.3594 -14.1378 -14.1356 -9.0863 -9.0804 -7.3891 -7.3558 -7.1468 -7.1091 -6.8340 -6.8023 -3.2276 -3.1914 -2.9262 -2.8893 -1.8940 -1.8812 1.1267 1.1339 1.5098 1.5152 1.7724 1.7783 2.1506 2.1626 2.3421 2.3527 3.4672 3.4709 5.1952 5.1983 7.6277 7.6396 8.5374 8.5482 11.3361 11.3368 k = 0.5000 0.0220-0.1080 ( 2846 PWs) bands (ev): -23.6162 -23.6162 -17.8159 -17.8158 -14.3623 -14.3599 -14.1430 -14.1405 -9.0814 -9.0746 -7.3935 -7.3562 -7.1489 -7.1060 -6.8431 -6.8064 -3.2457 -3.2089 -2.9044 -2.8669 -1.8926 -1.8778 1.1127 1.1206 1.5115 1.5177 1.7847 1.7911 2.1422 2.1549 2.3479 2.3589 3.4755 3.4798 5.2006 5.2042 7.6292 7.6431 8.5242 8.5368 11.3418 11.3425 k = 0.5000 0.0312-0.1179 ( 2846 PWs) bands (ev): -23.6159 -23.6159 -17.8133 -17.8132 -14.3632 -14.3603 -14.1489 -14.1460 -9.0760 -9.0684 -7.3979 -7.3573 -7.1506 -7.1031 -6.8530 -6.8113 -3.2629 -3.2257 -2.8826 -2.8449 -1.8912 -1.8744 1.0979 1.1063 1.5130 1.5197 1.7982 1.8049 2.1348 2.1479 2.3540 2.3653 3.4848 3.4896 5.2064 5.2103 7.6309 7.6469 8.5093 8.5237 11.3481 11.3489 k = 0.5000 0.0403-0.1278 ( 2842 PWs) bands (ev): -23.6156 -23.6156 -17.8103 -17.8102 -14.3641 -14.3609 -14.1553 -14.1520 -9.0704 -9.0621 -7.4021 -7.3588 -7.1520 -7.1004 -6.8636 -6.8170 -3.2789 -3.2414 -2.8609 -2.8232 -1.8896 -1.8709 1.0826 1.0914 1.5138 1.5212 1.8125 1.8193 2.1286 2.1420 2.3603 2.3718 3.4949 3.5001 5.2123 5.2166 7.6328 7.6507 8.4927 8.5089 11.3551 11.3559 k = 0.5000 0.0495-0.1377 ( 2842 PWs) bands (ev): -23.6153 -23.6153 -17.8071 -17.8070 -14.3651 -14.3615 -14.1622 -14.1586 -9.0647 -9.0557 -7.4060 -7.3608 -7.1532 -7.0978 -6.8748 -6.8235 -3.2935 -3.2559 -2.8397 -2.8021 -1.8881 -1.8675 1.0671 1.0762 1.5139 1.5220 1.8274 1.8342 2.1243 2.1378 2.3667 2.3784 3.5057 3.5114 5.2182 5.2228 7.6347 7.6546 8.4746 8.4926 11.3627 11.3634 k = 0.5000 0.0586-0.1476 ( 2834 PWs) bands (ev): -23.6150 -23.6150 -17.8036 -17.8035 -14.3662 -14.3622 -14.1696 -14.1656 -9.0592 -9.0496 -7.4095 -7.3631 -7.1540 -7.0955 -6.8865 -6.8307 -3.3068 -3.2689 -2.8189 -2.7815 -1.8868 -1.8643 1.0518 1.0611 1.5131 1.5217 1.8428 1.8493 2.1221 2.1357 2.3733 2.3850 3.5171 3.5231 5.2237 5.2286 7.6365 7.6584 8.4551 8.4748 11.3707 11.3713 k = 0.5000 0.0678-0.1574 ( 2830 PWs) bands (ev): -23.6146 -23.6146 -17.7998 -17.7997 -14.3673 -14.3630 -14.1773 -14.1730 -9.0541 -9.0440 -7.4125 -7.3657 -7.1546 -7.0935 -6.8986 -6.8384 -3.3184 -3.2803 -2.7987 -2.7616 -1.8856 -1.8614 1.0368 1.0463 1.5111 1.5203 1.8584 1.8646 2.1225 2.1362 2.3801 2.3918 3.5290 3.5353 5.2287 5.2338 7.6382 7.6621 8.4342 8.4557 11.3791 11.3796 k = 0.5000 0.0769-0.1673 ( 2832 PWs) bands (ev): -23.6143 -23.6143 -17.7958 -17.7957 -14.3685 -14.3638 -14.1854 -14.1807 -9.0496 -9.0391 -7.4150 -7.3683 -7.1551 -7.0917 -6.9110 -6.8468 -3.3283 -3.2900 -2.7791 -2.7425 -1.8849 -1.8590 1.0224 1.0320 1.5079 1.5177 1.8742 1.8798 2.1256 2.1393 2.3869 2.3986 3.5412 3.5478 5.2329 5.2383 7.6397 7.6655 8.4120 8.4352 11.3878 11.3882 k = 0.5000 0.0860-0.1772 ( 2838 PWs) bands (ev): -23.6139 -23.6139 -17.7916 -17.7915 -14.3697 -14.3646 -14.1936 -14.1886 -9.0460 -9.0351 -7.4168 -7.3710 -7.1553 -7.0903 -6.9237 -6.8555 -3.3365 -3.2979 -2.7602 -2.7241 -1.8847 -1.8571 1.0088 1.0185 1.5034 1.5137 1.8901 1.8952 2.1316 2.1453 2.3939 2.4057 3.5536 3.5604 5.2362 5.2417 7.6409 7.6685 8.3886 8.4135 11.3968 11.3970 k = 0.5000 0.0952-0.1871 ( 2840 PWs) bands (ev): -23.6134 -23.6134 -17.7872 -17.7870 -14.3709 -14.3655 -14.2020 -14.1966 -9.0434 -9.0323 -7.4178 -7.3735 -7.1554 -7.0891 -6.9365 -6.8647 -3.3427 -3.3039 -2.7420 -2.7064 -1.8850 -1.8559 0.9963 1.0060 1.4976 1.5083 1.9061 1.9106 2.1403 2.1541 2.4012 2.4130 3.5662 3.5732 5.2383 5.2441 7.6416 7.6711 8.3641 8.3906 11.4059 11.4060 k = 0.5000 0.1043-0.1970 ( 2842 PWs) bands (ev): -23.6130 -23.6130 -17.7826 -17.7824 -14.3722 -14.3664 -14.2104 -14.2047 -9.0422 -9.0309 -7.4180 -7.3757 -7.1554 -7.0883 -6.9492 -6.8741 -3.3470 -3.3079 -2.7246 -2.6896 -1.8860 -1.8554 0.9849 0.9947 1.4906 1.5018 1.9224 1.9264 2.1516 2.1656 2.4086 2.4206 3.5788 3.5860 5.2391 5.2450 7.6418 7.6730 8.3386 8.3667 11.4151 11.4154 k = 0.5000 0.1135-0.2068 ( 2842 PWs) bands (ev): -23.6125 -23.6125 -17.7778 -17.7777 -14.3734 -14.3674 -14.2189 -14.2128 -9.0425 -9.0311 -7.4173 -7.3774 -7.1554 -7.0877 -6.9620 -6.8838 -3.3493 -3.3099 -2.7078 -2.6735 -1.8878 -1.8559 0.9748 0.9846 1.4825 1.4940 1.9390 1.9426 2.1652 2.1794 2.4164 2.4285 3.5915 3.5988 5.2384 5.2445 7.6414 7.6743 8.3122 8.3418 11.4245 11.4250 k = 0.5000 0.1226-0.2167 ( 2836 PWs) bands (ev): -23.6121 -23.6121 -17.7729 -17.7728 -14.3747 -14.3683 -14.2272 -14.2208 -9.0445 -9.0331 -7.4158 -7.3784 -7.1552 -7.0875 -6.9745 -6.8936 -3.3496 -3.3097 -2.6918 -2.6582 -1.8904 -1.8572 0.9662 0.9760 1.4736 1.4853 1.9560 1.9593 2.1808 2.1952 2.4246 2.4368 3.6041 3.6115 5.2361 5.2423 7.6402 7.6748 8.2850 8.3160 11.4339 11.4347 k = 0.5000 0.1318-0.2266 ( 2836 PWs) bands (ev): -23.6116 -23.6116 -17.7680 -17.7678 -14.3759 -14.3692 -14.2354 -14.2287 -9.0484 -9.0371 -7.4134 -7.3786 -7.1550 -7.0875 -6.9867 -6.9035 -3.3477 -3.3075 -2.6766 -2.6437 -1.8940 -1.8596 0.9591 0.9689 1.4639 1.4759 1.9736 1.9767 2.1979 2.2127 2.4332 2.4457 3.6165 3.6240 5.2321 5.2385 7.6383 7.6744 8.2570 8.2893 11.4435 11.4446 k = 0.5000 0.1409-0.2365 ( 2834 PWs) bands (ev): -23.6111 -23.6111 -17.7629 -17.7628 -14.3771 -14.3701 -14.2434 -14.2364 -9.0545 -9.0432 -7.4104 -7.3777 -7.1548 -7.0878 -6.9985 -6.9135 -3.3436 -3.3031 -2.6621 -2.6300 -1.8985 -1.8631 0.9537 0.9634 1.4538 1.4659 1.9917 1.9948 2.2162 2.2313 2.4425 2.4553 3.6288 3.6363 5.2262 5.2328 7.6356 7.6730 8.2282 8.2617 11.4531 11.4546 k = 0.5000 0.1501-0.2464 ( 2834 PWs) bands (ev): -23.6105 -23.6105 -17.7578 -17.7576 -14.3783 -14.3710 -14.2512 -14.2439 -9.0627 -9.0514 -7.4069 -7.3756 -7.1546 -7.0883 -7.0099 -6.9234 -3.3375 -3.2965 -2.6482 -2.6170 -1.9040 -1.8677 0.9499 0.9596 1.4434 1.4555 2.0104 2.0136 2.2352 2.2507 2.4524 2.4656 3.6408 3.6483 5.2184 5.2253 7.6320 7.6706 8.1989 8.2334 11.4629 11.4647 k = 0.5000 0.1592-0.2562 ( 2834 PWs) bands (ev): -23.6100 -23.6100 -17.7526 -17.7525 -14.3794 -14.3719 -14.2586 -14.2511 -9.0731 -9.0620 -7.4032 -7.3721 -7.1545 -7.0890 -7.0207 -6.9332 -3.3291 -3.2878 -2.6351 -2.6047 -1.9106 -1.8734 0.9478 0.9574 1.4329 1.4450 2.0297 2.0332 2.2547 2.2705 2.4633 2.4768 3.6526 3.6600 5.2088 5.2159 7.6274 7.6671 8.1689 8.2044 11.4729 11.4750 k = 0.5000 0.1684-0.2661 ( 2840 PWs) bands (ev): -23.6095 -23.6095 -17.7475 -17.7473 -14.3803 -14.3727 -14.2656 -14.2580 -9.0858 -9.0747 -7.3995 -7.3671 -7.1543 -7.0898 -7.0309 -6.9428 -3.3186 -3.2770 -2.6227 -2.5931 -1.9182 -1.8803 0.9474 0.9570 1.4225 1.4345 2.0497 2.0534 2.2741 2.2902 2.4753 2.4891 3.6640 3.6713 5.1972 5.2046 7.6219 7.6625 8.1384 8.1746 11.4829 11.4853 k = 0.5000 0.1775-0.2760 ( 2838 PWs) bands (ev): -23.6090 -23.6090 -17.7423 -17.7422 -14.3812 -14.3734 -14.2723 -14.2644 -9.1009 -9.0898 -7.3959 -7.3607 -7.1541 -7.0906 -7.0403 -6.9522 -3.3060 -3.2641 -2.6109 -2.5821 -1.9269 -1.8883 0.9487 0.9582 1.4123 1.4243 2.0703 2.0742 2.2932 2.3095 2.4885 2.5026 3.6750 3.6823 5.1838 5.1916 7.6154 7.6567 8.1073 8.1442 11.4931 11.4958 k = 0.5000 0.1866-0.2859 ( 2834 PWs) bands (ev): -23.6084 -23.6084 -17.7372 -17.7371 -14.3819 -14.3740 -14.2785 -14.2706 -9.1181 -9.1070 -7.3925 -7.3533 -7.1539 -7.0915 -7.0488 -6.9612 -3.2913 -3.2491 -2.5997 -2.5718 -1.9365 -1.8973 0.9517 0.9612 1.4025 1.4143 2.0913 2.0955 2.3116 2.3280 2.5033 2.5175 3.6857 3.6928 5.1686 5.1767 7.6079 7.6497 8.0758 8.1131 11.5034 11.5065 k = 0.5000 0.1958-0.2958 ( 2832 PWs) bands (ev): -23.6079 -23.6079 -17.7322 -17.7320 -14.3825 -14.3745 -14.2843 -14.2763 -9.1375 -9.1264 -7.3893 -7.3451 -7.1536 -7.0924 -7.0563 -6.9696 -3.2746 -3.2321 -2.5892 -2.5622 -1.9471 -1.9075 0.9564 0.9657 1.3932 1.4047 2.1128 2.1172 2.3291 2.3454 2.5196 2.5338 3.6959 3.7029 5.1517 5.1602 7.5995 7.6416 8.0439 8.0814 11.5138 11.5172 k = 0.5000 0.2049-0.3056 ( 2828 PWs) bands (ev): -23.6073 -23.6073 -17.7272 -17.7271 -14.3828 -14.3748 -14.2896 -14.2816 -9.1589 -9.1478 -7.3863 -7.3368 -7.1532 -7.0935 -7.0624 -6.9774 -3.2559 -3.2131 -2.5792 -2.5531 -1.9585 -1.9186 0.9626 0.9718 1.3844 1.3957 2.1346 2.1394 2.3454 2.3616 2.5376 2.5517 3.7057 3.7124 5.1332 5.1420 7.5901 7.6324 8.0116 8.0491 11.5242 11.5280 k = 0.5000 0.2141-0.3155 ( 2826 PWs) bands (ev): -23.6068 -23.6068 -17.7223 -17.7222 -14.3830 -14.3750 -14.2945 -14.2865 -9.1821 -9.1710 -7.3835 -7.3288 -7.1524 -7.0952 -7.0668 -6.9844 -3.2353 -3.1923 -2.5699 -2.5446 -1.9708 -1.9306 0.9703 0.9794 1.3762 1.3872 2.1568 2.1617 2.3606 2.3764 2.5573 2.5709 3.7149 3.7214 5.1132 5.1225 7.5799 7.6222 7.9789 8.0163 11.5348 11.5388 k = 0.5000 0.2232-0.3254 ( 2826 PWs) bands (ev): -23.6063 -23.6063 -17.7176 -17.7174 -14.3829 -14.3750 -14.2989 -14.2910 -9.2070 -9.1960 -7.3809 -7.3215 -7.1511 -7.0980 -7.0691 -6.9903 -3.2129 -3.1698 -2.5610 -2.5366 -1.9839 -1.9435 0.9795 0.9884 1.3686 1.3792 2.1790 2.1843 2.3746 2.3899 2.5784 2.5916 3.7236 3.7298 5.0919 5.1016 7.5688 7.6109 7.9458 7.9829 11.5453 11.5496 k = 0.5000 0.2324-0.3353 ( 2824 PWs) bands (ev): -23.6057 -23.6057 -17.7129 -17.7128 -14.3825 -14.3747 -14.3029 -14.2951 -9.2335 -9.2224 -7.3788 -7.3154 -7.1493 -7.1018 -7.0692 -6.9949 -3.1888 -3.1456 -2.5527 -2.5291 -1.9976 -1.9572 0.9900 0.9987 1.3617 1.3719 2.2014 2.2069 2.3875 2.4021 2.6008 2.6134 3.7316 3.7376 5.0695 5.0796 7.5571 7.5987 7.9124 7.9490 11.5558 11.5603 k = 0.5000 0.2415-0.3452 ( 2820 PWs) bands (ev): -23.6052 -23.6052 -17.7085 -17.7083 -14.3818 -14.3742 -14.3064 -14.2989 -9.2611 -9.2502 -7.3769 -7.3108 -7.1470 -7.1065 -7.0677 -6.9978 -3.1631 -3.1198 -2.5449 -2.5222 -2.0120 -1.9715 1.0017 1.0102 1.3554 1.3652 2.2237 2.2294 2.3993 2.4133 2.6241 2.6361 3.7390 3.7447 5.0461 5.0566 7.5447 7.5857 7.8788 7.9147 11.5661 11.5709 k = 0.5000 0.2507-0.3550 ( 2824 PWs) bands (ev): -23.6047 -23.6047 -17.7041 -17.7040 -14.3809 -14.3735 -14.3096 -14.3022 -9.2899 -9.2790 -7.3756 -7.3080 -7.1444 -7.1117 -7.0648 -6.9988 -3.1359 -3.0927 -2.5375 -2.5157 -2.0269 -1.9865 1.0145 1.0229 1.3497 1.3590 2.2458 2.2518 2.4102 2.4235 2.6483 2.6596 3.7457 3.7510 5.0220 5.0330 7.5317 7.5720 7.8450 7.8801 11.5763 11.5813 k = 0.5000 0.2598-0.3649 ( 2822 PWs) bands (ev): -23.6042 -23.6042 -17.7000 -17.6999 -14.3796 -14.3725 -14.3124 -14.3053 -9.3195 -9.3087 -7.3747 -7.3068 -7.1421 -7.1170 -7.0605 -6.9977 -3.1074 -3.0643 -2.5306 -2.5097 -2.0422 -2.0020 1.0284 1.0365 1.3445 1.3534 2.2677 2.2739 2.4203 2.4330 2.6730 2.6837 3.7515 3.7565 4.9975 5.0088 7.5182 7.5576 7.8111 7.8452 11.5863 11.5915 k = 0.5000 0.2690-0.3748 ( 2828 PWs) bands (ev): -23.6037 -23.6037 -17.6960 -17.6959 -14.3781 -14.3712 -14.3149 -14.3080 -9.3497 -9.3391 -7.3742 -7.3073 -7.1405 -7.1226 -7.0548 -6.9946 -3.0778 -3.0347 -2.5242 -2.5041 -2.0579 -2.0179 1.0431 1.0510 1.3399 1.3484 2.2893 2.2957 2.4298 2.4419 2.6979 2.7080 3.7565 3.7611 4.9727 4.9843 7.5044 7.5428 7.7771 7.8102 11.5959 11.6013 k = 0.5000 0.2781-0.3847 ( 2828 PWs) bands (ev): -23.6033 -23.6033 -17.6922 -17.6922 -14.3762 -14.3697 -14.3170 -14.3104 -9.3803 -9.3699 -7.3742 -7.3091 -7.1402 -7.1281 -7.0474 -6.9896 -3.0471 -3.0041 -2.5181 -2.4989 -2.0739 -2.0342 1.0586 1.0662 1.3359 1.3438 2.3104 2.3170 2.4388 2.4502 2.7230 2.7325 3.7606 3.7647 4.9479 4.9598 7.4904 7.5275 7.7432 7.7751 11.6052 11.6106 k = 0.5000 0.2872-0.3946 ( 2820 PWs) bands (ev): -23.6028 -23.6028 -17.6887 -17.6886 -14.3741 -14.3678 -14.3188 -14.3126 -9.4110 -9.4009 -7.3745 -7.3120 -7.1412 -7.1336 -7.0384 -6.9832 -3.0155 -2.9727 -2.5125 -2.4941 -2.0902 -2.0507 1.0748 1.0821 1.3323 1.3398 2.3310 2.3377 2.4472 2.4581 2.7481 2.7570 3.7637 3.7674 4.9233 4.9355 7.4762 7.5120 7.7095 7.7401 11.6139 11.6195 k = 0.5000 0.2964-0.4045 ( 2822 PWs) bands (ev): -23.6023 -23.6023 -17.6853 -17.6852 -14.3717 -14.3658 -14.3204 -14.3145 -9.4417 -9.4319 -7.3752 -7.3157 -7.1436 -7.1391 -7.0280 -6.9757 -2.9832 -2.9407 -2.5072 -2.4896 -2.1066 -2.0675 1.0914 1.0984 1.3291 1.3361 2.3509 2.3577 2.4552 2.4656 2.7729 2.7812 3.7658 3.7690 4.8992 4.9116 7.4619 7.4964 7.6762 7.7053 11.6222 11.6277 k = 0.5000 0.3055-0.4143 ( 2816 PWs) bands (ev): -23.6019 -23.6019 -17.6821 -17.6820 -14.3690 -14.3634 -14.3217 -14.3161 -9.4721 -9.4626 -7.3762 -7.3201 -7.1469 -7.1445 -7.0165 -6.9675 -2.9504 -2.9081 -2.5023 -2.4856 -2.1232 -2.0845 1.1084 1.1151 1.3263 1.3328 2.3701 2.3770 2.4629 2.4728 2.7974 2.8052 3.7667 3.7696 4.8759 4.8884 7.4477 7.4807 7.6433 7.6709 11.6298 11.6354 k = 0.5000 0.3147-0.4242 ( 2818 PWs) bands (ev): -23.6015 -23.6015 -17.6791 -17.6791 -14.3662 -14.3609 -14.3228 -14.3176 -9.5019 -9.4928 -7.3774 -7.3249 -7.1510 -7.1496 -7.0045 -6.9587 -2.9172 -2.8752 -2.4978 -2.4818 -2.1398 -2.1017 1.1256 1.1320 1.3239 1.3299 2.3885 2.3954 2.4702 2.4797 2.8214 2.8286 3.7665 3.7690 4.8535 4.8661 7.4337 7.4651 7.6110 7.6371 11.6368 11.6423 k = 0.5000 0.3238-0.4341 ( 2822 PWs) bands (ev): -23.6011 -23.6011 -17.6763 -17.6763 -14.3631 -14.3583 -14.3237 -14.3189 -9.5311 -9.5224 -7.3788 -7.3299 -7.1557 -7.1545 -6.9921 -6.9498 -2.8839 -2.8422 -2.4935 -2.4784 -2.1565 -2.1189 1.1429 1.1490 1.3217 1.3272 2.4060 2.4129 2.4773 2.4862 2.8448 2.8515 3.7652 3.7673 4.8323 4.8448 7.4198 7.4496 7.5795 7.6040 11.6431 11.6485 k = 0.5000 0.3330-0.4440 ( 2830 PWs) bands (ev): -23.6008 -23.6008 -17.6738 -17.6737 -14.3600 -14.3555 -14.3244 -14.3200 -9.5593 -9.5511 -7.3803 -7.3351 -7.1606 -7.1594 -6.9797 -6.9408 -2.8505 -2.8091 -2.4896 -2.4753 -2.1733 -2.1362 1.1600 1.1658 1.3198 1.3249 2.4225 2.4294 2.4840 2.4925 2.8674 2.8737 3.7628 3.7645 4.8124 4.8248 7.4064 7.4344 7.5490 7.5718 11.6486 11.6540 k = 0.5000 0.3421-0.4539 ( 2828 PWs) bands (ev): -23.6004 -23.6004 -17.6714 -17.6714 -14.3567 -14.3526 -14.3250 -14.3209 -9.5865 -9.5787 -7.3819 -7.3404 -7.1653 -7.1641 -6.9675 -6.9320 -2.8173 -2.7762 -2.4860 -2.4725 -2.1900 -2.1536 1.1770 1.1824 1.3182 1.3228 2.4381 2.4448 2.4905 2.4985 2.8893 2.8950 3.7594 3.7607 4.7940 4.8061 7.3933 7.4195 7.5197 7.5408 11.6535 11.6587 k = 0.5000 0.3513-0.4637 ( 2832 PWs) bands (ev): -23.6001 -23.6001 -17.6692 -17.6692 -14.3535 -14.3497 -14.3254 -14.3217 -9.6123 -9.6051 -7.3835 -7.3455 -7.1699 -7.1688 -6.9557 -6.9235 -2.7844 -2.7436 -2.4827 -2.4699 -2.2068 -2.1711 1.1935 1.1986 1.3167 1.3209 2.4525 2.4591 2.4967 2.5042 2.9102 2.9154 3.7549 3.7559 4.7771 4.7889 7.3808 7.4051 7.4919 7.5111 11.6577 11.6627 k = 0.5000 0.3604-0.4736 ( 2834 PWs) bands (ev): -23.5998 -23.5998 -17.6673 -17.6672 -14.3502 -14.3469 -14.3257 -14.3223 -9.6368 -9.6301 -7.3850 -7.3506 -7.1743 -7.1733 -6.9444 -6.9155 -2.7520 -2.7114 -2.4797 -2.4676 -2.2237 -2.1886 1.2094 1.2142 1.3155 1.3192 2.4659 2.4722 2.5026 2.5096 2.9300 2.9347 3.7496 3.7504 4.7619 4.7733 7.3689 7.3912 7.4657 7.4830 11.6612 11.6660 k = 0.5000 0.3695-0.4835 ( 2836 PWs) bands (ev): -23.5996 -23.5996 -17.6655 -17.6655 -14.3471 -14.3441 -14.3258 -14.3229 -9.6596 -9.6534 -7.3865 -7.3555 -7.1783 -7.1775 -6.9338 -6.9079 -2.7202 -2.6798 -2.4770 -2.4654 -2.2406 -2.2062 1.2246 1.2291 1.3144 1.3177 2.4782 2.4841 2.5082 2.5146 2.9486 2.9529 3.7436 3.7442 4.7484 4.7592 7.3576 7.3778 7.4413 7.4567 11.6641 11.6686 k = 0.5000 0.3787-0.4934 ( 2836 PWs) bands (ev): -23.5993 -23.5993 -17.6639 -17.6639 -14.3441 -14.3415 -14.3258 -14.3233 -9.6806 -9.6750 -7.3878 -7.3602 -7.1821 -7.1815 -6.9239 -6.9010 -2.6892 -2.6490 -2.4746 -2.4635 -2.2575 -2.2240 1.2389 1.2430 1.3135 1.3164 2.4893 2.4948 2.5134 2.5193 2.9659 2.9698 3.7371 3.7376 4.7366 4.7467 7.3470 7.3650 7.4191 7.4323 11.6665 11.6706 k = 0.5000 0.3878-0.5033 ( 2834 PWs) bands (ev): -23.5991 -23.5991 -17.6625 -17.6625 -14.3413 -14.3392 -14.3256 -14.3235 -9.6997 -9.6948 -7.3889 -7.3646 -7.1855 -7.1851 -6.9148 -6.8948 -2.6592 -2.6191 -2.4725 -2.4616 -2.2745 -2.2419 1.2521 1.2558 1.3129 1.3153 2.4992 2.5042 2.5184 2.5236 2.9819 2.9852 3.7304 3.7308 4.7265 4.7357 7.3372 7.3527 7.3993 7.4103 11.6683 11.6720 k = 0.5717 0.4538 0.3478 ( 2834 PWs) bands (ev): -23.5991 -23.5991 -17.6625 -17.6625 -14.3412 -14.3391 -14.3257 -14.3236 -9.6997 -9.6948 -7.3889 -7.3646 -7.1855 -7.1851 -6.9148 -6.8948 -2.6592 -2.6191 -2.4725 -2.4617 -2.2745 -2.2419 1.2521 1.2557 1.3129 1.3153 2.4993 2.5043 2.5183 2.5235 2.9819 2.9852 3.7304 3.7308 4.7265 4.7357 7.3372 7.3527 7.3993 7.4103 11.6683 11.6720 k = 0.5627 0.4545 0.3575 ( 2826 PWs) bands (ev): -23.5989 -23.5989 -17.6613 -17.6613 -14.3388 -14.3371 -14.3254 -14.3237 -9.7166 -9.7122 -7.3897 -7.3686 -7.1886 -7.1882 -6.9066 -6.8894 -2.6307 -2.5907 -2.4707 -2.4599 -2.2913 -2.2597 1.2638 1.2671 1.3125 1.3145 2.5079 2.5122 2.5229 2.5274 2.9960 2.9990 3.7237 3.7241 4.7180 4.7264 7.3283 7.3413 7.3824 7.3910 11.6697 11.6730 k = 0.5538 0.4553 0.3673 ( 2822 PWs) bands (ev): -23.5987 -23.5987 -17.6603 -17.6602 -14.3366 -14.3354 -14.3250 -14.3238 -9.7313 -9.7276 -7.3903 -7.3724 -7.1913 -7.1910 -6.8994 -6.8848 -2.6035 -2.5635 -2.4692 -2.4580 -2.3082 -2.2777 1.2741 1.2770 1.3124 1.3140 2.5153 2.5188 2.5273 2.5308 3.0086 3.0111 3.7173 3.7177 4.7111 4.7184 7.3200 7.3305 7.3680 7.3743 11.6707 11.6737 k = 0.5448 0.4560 0.3770 ( 2820 PWs) bands (ev): -23.5985 -23.5985 -17.6594 -17.6594 -14.3348 -14.3340 -14.3244 -14.3236 -9.7439 -9.7408 -7.3907 -7.3758 -7.1936 -7.1934 -6.8930 -6.8810 -2.5778 -2.5380 -2.4677 -2.4559 -2.3250 -2.2958 1.2827 1.2851 1.3126 1.3139 2.5215 2.5241 2.5313 2.5338 3.0194 3.0215 3.7114 3.7118 4.7054 4.7117 7.3126 7.3206 7.3563 7.3603 11.6715 11.6740 k = 0.5358 0.4568 0.3867 ( 2820 PWs) bands (ev): -23.5984 -23.5984 -17.6587 -17.6587 -14.3335 -14.3330 -14.3238 -14.3234 -9.7543 -9.7518 -7.3908 -7.3789 -7.1955 -7.1954 -6.8876 -6.8780 -2.5539 -2.5147 -2.4660 -2.4535 -2.3415 -2.3142 1.2895 1.2914 1.3134 1.3142 2.5265 2.5281 2.5350 2.5365 3.0285 3.0301 3.7063 3.7066 4.7011 4.7062 7.3060 7.3119 7.3470 7.3492 11.6721 11.6741 k = 0.5269 0.4575 0.3964 ( 2810 PWs) bands (ev): -23.5983 -23.5983 -17.6581 -17.6581 -14.3325 -14.3323 -14.3232 -14.3230 -9.7624 -9.7605 -7.3905 -7.3816 -7.1970 -7.1969 -6.8831 -6.8760 -2.5323 -2.4960 -2.4624 -2.4504 -2.3572 -2.3325 1.2944 1.2957 1.3147 1.3151 2.5302 2.5310 2.5380 2.5387 3.0357 3.0369 3.7020 3.7023 4.6980 4.7019 7.3006 7.3046 7.3399 7.3409 11.6726 11.6741 k = 0.5179 0.4583 0.4061 ( 2820 PWs) bands (ev): -23.5983 -23.5983 -17.6578 -17.6577 -14.3319 -14.3318 -14.3228 -14.3227 -9.7681 -9.7668 -7.3899 -7.3840 -7.1981 -7.1981 -6.8795 -6.8748 -2.5138 -2.4860 -2.4539 -2.4465 -2.3708 -2.3503 1.2974 1.2983 1.3161 1.3162 2.5328 2.5330 2.5402 2.5404 3.0409 3.0417 3.6989 3.6991 4.6960 4.6986 7.2965 7.2991 7.3349 7.3352 11.6729 11.6739 k = 0.5090 0.4590 0.4158 ( 2824 PWs) bands (ev): -23.5982 -23.5982 -17.6575 -17.6575 -14.3316 -14.3316 -14.3225 -14.3225 -9.7714 -9.7708 -7.3890 -7.3860 -7.1987 -7.1987 -6.8770 -6.8746 -2.4994 -2.4851 -2.4434 -2.4419 -2.3794 -2.3666 1.2990 1.2994 1.3172 1.3172 2.5342 2.5342 2.5415 2.5415 3.0442 3.0446 3.6969 3.6971 4.6951 4.6964 7.2942 7.2954 7.3319 7.3320 11.6732 11.6737 k = 0.5000 0.4598 0.4255 ( 2824 PWs) bands (ev): -23.5982 -23.5982 -17.6574 -17.6574 -14.3315 -14.3315 -14.3224 -14.3224 -9.7723 -9.7723 -7.3877 -7.3877 -7.1990 -7.1990 -6.8753 -6.8753 -2.4898 -2.4898 -2.4391 -2.4391 -2.3779 -2.3779 1.2996 1.2996 1.3176 1.3176 2.5346 2.5346 2.5420 2.5420 3.0454 3.0454 3.6963 3.6963 4.6952 4.6952 7.2938 7.2938 7.3309 7.3309 11.6735 11.6735 k = 0.5000 0.4598 0.4255 ( 2824 PWs) bands (ev): -23.5982 -23.5982 -17.6574 -17.6574 -14.3315 -14.3315 -14.3224 -14.3224 -9.7723 -9.7723 -7.3877 -7.3877 -7.1990 -7.1990 -6.8753 -6.8753 -2.4898 -2.4898 -2.4391 -2.4391 -2.3779 -2.3779 1.2996 1.2996 1.3176 1.3176 2.5346 2.5346 2.5420 2.5420 3.0454 3.0454 3.6963 3.6963 4.6952 4.6952 7.2938 7.2938 7.3309 7.3309 11.6735 11.6735 k = 0.4915 0.4520 0.4183 ( 2825 PWs) bands (ev): -23.5983 -23.5983 -17.6576 -17.6576 -14.3314 -14.3314 -14.3222 -14.3222 -9.7719 -9.7719 -7.3875 -7.3875 -7.1988 -7.1988 -6.8752 -6.8752 -2.4903 -2.4903 -2.4397 -2.4396 -2.3778 -2.3778 1.2999 1.2999 1.3178 1.3179 2.5338 2.5338 2.5409 2.5413 3.0451 3.0451 3.6952 3.6952 4.6957 4.6957 7.2947 7.2947 7.3316 7.3320 11.6730 11.6730 k = 0.4831 0.4442 0.4111 ( 2831 PWs) bands (ev): -23.5983 -23.5983 -17.6582 -17.6582 -14.3310 -14.3310 -14.3219 -14.3219 -9.7707 -9.7707 -7.3871 -7.3871 -7.1983 -7.1983 -6.8748 -6.8748 -2.4917 -2.4917 -2.4412 -2.4411 -2.3773 -2.3773 1.3005 1.3005 1.3184 1.3187 2.5312 2.5312 2.5381 2.5389 3.0443 3.0443 3.6919 3.6919 4.6970 4.6970 7.2973 7.2973 7.3341 7.3349 11.6717 11.6717 k = 0.4746 0.4364 0.4039 ( 2822 PWs) bands (ev): -23.5984 -23.5984 -17.6592 -17.6592 -14.3304 -14.3304 -14.3213 -14.3213 -9.7688 -9.7688 -7.3863 -7.3863 -7.1975 -7.1975 -6.8741 -6.8741 -2.4940 -2.4940 -2.4437 -2.4436 -2.3765 -2.3765 1.3017 1.3017 1.3194 1.3199 2.5269 2.5269 2.5336 2.5349 3.0429 3.0429 3.6864 3.6864 4.6992 4.6992 7.3017 7.3017 7.3383 7.3395 11.6694 11.6694 k = 0.4661 0.4286 0.3967 ( 2834 PWs) bands (ev): -23.5986 -23.5986 -17.6605 -17.6605 -14.3295 -14.3295 -14.3204 -14.3204 -9.7660 -9.7660 -7.3853 -7.3853 -7.1964 -7.1964 -6.8732 -6.8732 -2.4972 -2.4972 -2.4472 -2.4470 -2.3753 -2.3753 1.3033 1.3033 1.3209 1.3215 2.5209 2.5209 2.5274 2.5291 3.0410 3.0410 3.6787 3.6787 4.7022 4.7022 7.3077 7.3077 7.3442 7.3458 11.6662 11.6662 k = 0.4576 0.4208 0.3895 ( 2822 PWs) bands (ev): -23.5988 -23.5988 -17.6622 -17.6622 -14.3284 -14.3284 -14.3193 -14.3193 -9.7625 -9.7625 -7.3840 -7.3840 -7.1950 -7.1950 -6.8720 -6.8720 -2.5014 -2.5014 -2.4517 -2.4515 -2.3738 -2.3738 1.3053 1.3053 1.3228 1.3235 2.5133 2.5133 2.5196 2.5217 3.0385 3.0385 3.6690 3.6690 4.7059 4.7059 7.3154 7.3154 7.3517 7.3537 11.6621 11.6621 k = 0.4492 0.4130 0.3823 ( 2822 PWs) bands (ev): -23.5990 -23.5990 -17.6643 -17.6643 -14.3271 -14.3271 -14.3180 -14.3180 -9.7583 -9.7583 -7.3824 -7.3824 -7.1933 -7.1933 -6.8706 -6.8706 -2.5065 -2.5065 -2.4572 -2.4569 -2.3719 -2.3719 1.3078 1.3078 1.3251 1.3260 2.5041 2.5041 2.5102 2.5128 3.0356 3.0356 3.6573 3.6573 4.7104 4.7104 7.3246 7.3246 7.3609 7.3633 11.6569 11.6569 k = 0.4407 0.4052 0.3751 ( 2834 PWs) bands (ev): -23.5993 -23.5993 -17.6667 -17.6667 -14.3255 -14.3255 -14.3164 -14.3164 -9.7533 -9.7533 -7.3805 -7.3805 -7.1913 -7.1913 -6.8690 -6.8690 -2.5125 -2.5125 -2.4636 -2.4633 -2.3696 -2.3696 1.3108 1.3108 1.3279 1.3289 2.4934 2.4934 2.4994 2.5024 3.0320 3.0320 3.6438 3.6438 4.7155 4.7155 7.3354 7.3354 7.3716 7.3743 11.6507 11.6507 k = 0.4322 0.3974 0.3678 ( 2834 PWs) bands (ev): -23.5996 -23.5996 -17.6695 -17.6695 -14.3237 -14.3237 -14.3146 -14.3146 -9.7475 -9.7475 -7.3784 -7.3784 -7.1891 -7.1890 -6.8672 -6.8672 -2.5195 -2.5195 -2.4709 -2.4706 -2.3668 -2.3668 1.3142 1.3142 1.3311 1.3323 2.4812 2.4812 2.4871 2.4905 3.0280 3.0280 3.6286 3.6286 4.7211 4.7211 7.3477 7.3477 7.3838 7.3869 11.6434 11.6434 k = 0.4237 0.3896 0.3606 ( 2834 PWs) bands (ev): -23.5999 -23.5999 -17.6726 -17.6726 -14.3217 -14.3217 -14.3126 -14.3126 -9.7410 -9.7410 -7.3760 -7.3760 -7.1865 -7.1864 -6.8653 -6.8653 -2.5274 -2.5274 -2.4792 -2.4788 -2.3636 -2.3636 1.3180 1.3180 1.3346 1.3360 2.4678 2.4678 2.4735 2.4773 3.0235 3.0235 3.6117 3.6117 4.7273 4.7273 7.3613 7.3613 7.3974 7.4008 11.6349 11.6349 k = 0.4153 0.3818 0.3534 ( 2840 PWs) bands (ev): -23.6003 -23.6003 -17.6761 -17.6761 -14.3194 -14.3194 -14.3103 -14.3103 -9.7338 -9.7338 -7.3734 -7.3734 -7.1837 -7.1836 -6.8632 -6.8632 -2.5361 -2.5361 -2.4884 -2.4879 -2.3599 -2.3599 1.3222 1.3222 1.3386 1.3402 2.4530 2.4530 2.4587 2.4628 3.0186 3.0186 3.5935 3.5935 4.7338 4.7338 7.3761 7.3761 7.4122 7.4159 11.6252 11.6252 k = 0.4068 0.3741 0.3462 ( 2840 PWs) bands (ev): -23.6008 -23.6008 -17.6798 -17.6798 -14.3170 -14.3170 -14.3079 -14.3079 -9.7259 -9.7259 -7.3705 -7.3705 -7.1806 -7.1805 -6.8611 -6.8611 -2.5458 -2.5458 -2.4984 -2.4980 -2.3557 -2.3557 1.3268 1.3268 1.3430 1.3448 2.4372 2.4372 2.4427 2.4472 3.0131 3.0131 3.5739 3.5739 4.7406 4.7406 7.3922 7.3922 7.4283 7.4323 11.6141 11.6141 k = 0.3983 0.3663 0.3390 ( 2837 PWs) bands (ev): -23.6012 -23.6012 -17.6839 -17.6839 -14.3143 -14.3143 -14.3052 -14.3052 -9.7173 -9.7173 -7.3674 -7.3674 -7.1772 -7.1772 -6.8588 -6.8588 -2.5563 -2.5563 -2.5093 -2.5088 -2.3510 -2.3510 1.3319 1.3319 1.3478 1.3497 2.4203 2.4203 2.4257 2.4306 3.0072 3.0072 3.5531 3.5531 4.7476 4.7476 7.4093 7.4093 7.4454 7.4497 11.6014 11.6014 k = 0.3898 0.3585 0.3318 ( 2837 PWs) bands (ev): -23.6017 -23.6017 -17.6883 -17.6883 -14.3114 -14.3114 -14.3023 -14.3023 -9.7080 -9.7080 -7.3641 -7.3641 -7.1737 -7.1736 -6.8565 -6.8565 -2.5676 -2.5676 -2.5211 -2.5205 -2.3458 -2.3458 1.3373 1.3373 1.3530 1.3550 2.4024 2.4024 2.4078 2.4131 3.0009 3.0009 3.5314 3.5314 4.7548 4.7548 7.4273 7.4273 7.4635 7.4681 11.5872 11.5872 k = 0.3814 0.3507 0.3246 ( 2837 PWs) bands (ev): -23.6023 -23.6023 -17.6929 -17.6929 -14.3083 -14.3083 -14.2992 -14.2992 -9.6981 -9.6981 -7.3606 -7.3606 -7.1699 -7.1698 -6.8543 -6.8543 -2.5797 -2.5797 -2.5336 -2.5330 -2.3400 -2.3400 1.3431 1.3431 1.3585 1.3607 2.3838 2.3838 2.3891 2.3947 2.9942 2.9942 3.5087 3.5087 4.7620 4.7620 7.4462 7.4462 7.4825 7.4873 11.5712 11.5712 k = 0.3729 0.3429 0.3174 ( 2858 PWs) bands (ev): -23.6028 -23.6028 -17.6978 -17.6978 -14.3050 -14.3050 -14.2959 -14.2959 -9.6876 -9.6876 -7.3569 -7.3569 -7.1659 -7.1658 -6.8521 -6.8521 -2.5926 -2.5926 -2.5468 -2.5462 -2.3337 -2.3337 1.3492 1.3492 1.3643 1.3668 2.3644 2.3644 2.3697 2.3756 2.9870 2.9870 3.4853 3.4853 4.7692 4.7692 7.4658 7.4658 7.5022 7.5072 11.5532 11.5532 k = 0.3644 0.3351 0.3101 ( 2858 PWs) bands (ev): -23.6034 -23.6034 -17.7029 -17.7029 -14.3016 -14.3016 -14.2925 -14.2925 -9.6765 -9.6765 -7.3530 -7.3530 -7.1617 -7.1616 -6.8498 -6.8498 -2.6062 -2.6062 -2.5608 -2.5602 -2.3269 -2.3269 1.3557 1.3557 1.3705 1.3731 2.3445 2.3445 2.3497 2.3559 2.9796 2.9796 3.4614 3.4614 4.7764 4.7764 7.4861 7.4861 7.5225 7.5278 11.5332 11.5332 k = 0.3559 0.3273 0.3029 ( 2864 PWs) bands (ev): -23.6041 -23.6041 -17.7082 -17.7082 -14.2980 -14.2980 -14.2888 -14.2888 -9.6648 -9.6648 -7.3491 -7.3491 -7.1574 -7.1573 -6.8477 -6.8477 -2.6206 -2.6206 -2.5755 -2.5748 -2.3195 -2.3195 1.3626 1.3626 1.3770 1.3798 2.3240 2.3240 2.3293 2.3358 2.9717 2.9717 3.4369 3.4369 4.7834 4.7834 7.5069 7.5069 7.5434 7.5488 11.5110 11.5110 k = 0.3475 0.3195 0.2957 ( 2852 PWs) bands (ev): -23.6047 -23.6047 -17.7138 -17.7138 -14.2942 -14.2942 -14.2850 -14.2850 -9.6525 -9.6525 -7.3449 -7.3449 -7.1529 -7.1528 -6.8456 -6.8456 -2.6355 -2.6355 -2.5908 -2.5901 -2.3115 -2.3115 1.3697 1.3697 1.3838 1.3868 2.3032 2.3032 2.3085 2.3153 2.9636 2.9636 3.4122 3.4122 4.7902 4.7902 7.5280 7.5281 7.5647 7.5703 11.4865 11.4865 k = 0.3390 0.3117 0.2885 ( 2852 PWs) bands (ev): -23.6054 -23.6054 -17.7195 -17.7195 -14.2902 -14.2902 -14.2811 -14.2811 -9.6398 -9.6398 -7.3407 -7.3407 -7.1482 -7.1481 -6.8437 -6.8437 -2.6511 -2.6511 -2.6068 -2.6060 -2.3030 -2.3030 1.3772 1.3772 1.3909 1.3941 2.2822 2.2822 2.2874 2.2946 2.9552 2.9552 3.3872 3.3872 4.7968 4.7968 7.5495 7.5495 7.5863 7.5921 11.4594 11.4594 k = 0.3305 0.3039 0.2813 ( 2852 PWs) bands (ev): -23.6061 -23.6061 -17.7254 -17.7254 -14.2861 -14.2861 -14.2770 -14.2770 -9.6266 -9.6266 -7.3363 -7.3363 -7.1434 -7.1433 -6.8420 -6.8420 -2.6672 -2.6672 -2.6233 -2.6225 -2.2939 -2.2939 1.3849 1.3849 1.3983 1.4016 2.2610 2.2610 2.2663 2.2737 2.9465 2.9465 3.3621 3.3621 4.8032 4.8032 7.5712 7.5712 7.6082 7.6140 11.4298 11.4298 k = 0.3220 0.2961 0.2741 ( 2858 PWs) bands (ev): -23.6069 -23.6069 -17.7315 -17.7315 -14.2819 -14.2819 -14.2727 -14.2727 -9.6129 -9.6129 -7.3319 -7.3319 -7.1385 -7.1384 -6.8404 -6.8404 -2.6839 -2.6839 -2.6403 -2.6395 -2.2844 -2.2844 1.3928 1.3928 1.4058 1.4094 2.2398 2.2398 2.2451 2.2528 2.9375 2.9375 3.3371 3.3371 4.8091 4.8091 7.5929 7.5929 7.6301 7.6360 11.3975 11.3975 k = 0.3136 0.2883 0.2669 ( 2858 PWs) bands (ev): -23.6076 -23.6076 -17.7376 -17.7376 -14.2775 -14.2775 -14.2684 -14.2684 -9.5989 -9.5989 -7.3273 -7.3273 -7.1335 -7.1334 -6.8390 -6.8390 -2.7011 -2.7011 -2.6577 -2.6569 -2.2743 -2.2743 1.4010 1.4010 1.4136 1.4174 2.2186 2.2186 2.2239 2.2319 2.9283 2.9283 3.3121 3.3121 4.8148 4.8148 7.6147 7.6147 7.6520 7.6581 11.3625 11.3625 k = 0.3051 0.2805 0.2597 ( 2852 PWs) bands (ev): -23.6084 -23.6084 -17.7439 -17.7439 -14.2730 -14.2730 -14.2639 -14.2639 -9.5845 -9.5845 -7.3227 -7.3227 -7.1285 -7.1283 -6.8378 -6.8378 -2.7186 -2.7186 -2.6757 -2.6748 -2.2637 -2.2637 1.4094 1.4094 1.4216 1.4256 2.1976 2.1976 2.2030 2.2112 2.9190 2.9190 3.2873 3.2873 4.8201 4.8201 7.6364 7.6364 7.6739 7.6800 11.3248 11.3248 k = 0.2966 0.2727 0.2524 ( 2846 PWs) bands (ev): -23.6092 -23.6092 -17.7503 -17.7503 -14.2684 -14.2684 -14.2593 -14.2593 -9.5698 -9.5698 -7.3181 -7.3181 -7.1233 -7.1232 -6.8368 -6.8368 -2.7366 -2.7366 -2.6939 -2.6931 -2.2526 -2.2526 1.4179 1.4179 1.4297 1.4340 2.1768 2.1768 2.1823 2.1908 2.9095 2.9095 3.2629 3.2629 4.8249 4.8249 7.6579 7.6579 7.6956 7.7017 11.2845 11.2845 k = 0.2881 0.2650 0.2452 ( 2840 PWs) bands (ev): -23.6100 -23.6100 -17.7567 -17.7567 -14.2637 -14.2637 -14.2546 -14.2546 -9.5548 -9.5548 -7.3135 -7.3135 -7.1182 -7.1180 -6.8359 -6.8359 -2.7549 -2.7549 -2.7125 -2.7117 -2.2411 -2.2411 1.4265 1.4265 1.4380 1.4425 2.1564 2.1564 2.1619 2.1707 2.8999 2.8999 3.2388 3.2388 4.8294 4.8294 7.6792 7.6792 7.7171 7.7232 11.2416 11.2416 k = 0.2797 0.2572 0.2380 ( 2846 PWs) bands (ev): -23.6108 -23.6108 -17.7632 -17.7632 -14.2590 -14.2590 -14.2499 -14.2499 -9.5396 -9.5396 -7.3089 -7.3089 -7.1130 -7.1129 -6.8353 -6.8353 -2.7734 -2.7734 -2.7314 -2.7306 -2.2292 -2.2292 1.4353 1.4353 1.4463 1.4510 2.1364 2.1364 2.1420 2.1510 2.8901 2.8901 3.2151 3.2151 4.8334 4.8334 7.7002 7.7002 7.7382 7.7444 11.1962 11.1962 k = 0.2712 0.2494 0.2308 ( 2843 PWs) bands (ev): -23.6117 -23.6117 -17.7697 -17.7697 -14.2542 -14.2542 -14.2451 -14.2450 -9.5242 -9.5242 -7.3043 -7.3043 -7.1078 -7.1077 -6.8349 -6.8349 -2.7922 -2.7922 -2.7505 -2.7496 -2.2168 -2.2168 1.4441 1.4441 1.4548 1.4597 2.1169 2.1169 2.1225 2.1318 2.8803 2.8803 3.1920 3.1920 4.8369 4.8370 7.7207 7.7207 7.7590 7.7651 11.1486 11.1486 k = 0.2627 0.2416 0.2236 ( 2852 PWs) bands (ev): -23.6125 -23.6125 -17.7762 -17.7762 -14.2493 -14.2493 -14.2402 -14.2402 -9.5087 -9.5087 -7.2997 -7.2997 -7.1026 -7.1025 -6.8347 -6.8347 -2.8112 -2.8112 -2.7698 -2.7689 -2.2042 -2.2042 1.4529 1.4529 1.4632 1.4683 2.0979 2.0979 2.1037 2.1131 2.8704 2.8704 3.1694 3.1694 4.8401 4.8401 7.7408 7.7408 7.7793 7.7854 11.0988 11.0988 k = 0.2542 0.2338 0.2164 ( 2858 PWs) bands (ev): -23.6134 -23.6134 -17.7827 -17.7827 -14.2444 -14.2444 -14.2353 -14.2353 -9.4931 -9.4931 -7.2951 -7.2951 -7.0975 -7.0973 -6.8348 -6.8348 -2.8303 -2.8303 -2.7892 -2.7883 -2.1913 -2.1913 1.4617 1.4617 1.4716 1.4770 2.0797 2.0797 2.0855 2.0951 2.8606 2.8606 3.1474 3.1474 4.8428 4.8428 7.7605 7.7605 7.7991 7.8052 11.0472 11.0472 k = 0.2458 0.2260 0.2092 ( 2840 PWs) bands (ev): -23.6142 -23.6142 -17.7891 -17.7891 -14.2395 -14.2395 -14.2304 -14.2303 -9.4775 -9.4775 -7.2906 -7.2906 -7.0923 -7.0922 -6.8349 -6.8349 -2.8494 -2.8494 -2.8086 -2.8077 -2.1781 -2.1781 1.4704 1.4704 1.4800 1.4856 2.0621 2.0621 2.0680 2.0779 2.8507 2.8507 3.1260 3.1260 4.8452 4.8452 7.7795 7.7795 7.8184 7.8244 10.9940 10.9940 k = 0.2373 0.2182 0.2020 ( 2834 PWs) bands (ev): -23.6151 -23.6151 -17.7955 -17.7955 -14.2345 -14.2345 -14.2254 -14.2254 -9.4618 -9.4618 -7.2862 -7.2862 -7.0872 -7.0871 -6.8352 -6.8352 -2.8686 -2.8686 -2.8281 -2.8272 -2.1647 -2.1647 1.4790 1.4790 1.4882 1.4941 2.0453 2.0453 2.0513 2.0613 2.8409 2.8409 3.1053 3.1053 4.8472 4.8472 7.7980 7.7980 7.8371 7.8430 10.9393 10.9393 k = 0.2288 0.2104 0.1947 ( 2834 PWs) bands (ev): -23.6160 -23.6160 -17.8019 -17.8019 -14.2296 -14.2296 -14.2205 -14.2205 -9.4463 -9.4463 -7.2818 -7.2818 -7.0822 -7.0821 -6.8356 -6.8356 -2.8877 -2.8877 -2.8475 -2.8466 -2.1512 -2.1512 1.4875 1.4875 1.4964 1.5024 2.0294 2.0294 2.0354 2.0456 2.8311 2.8311 3.0854 3.0854 4.8489 4.8489 7.8159 7.8159 7.8552 7.8610 10.8836 10.8836 k = 0.2203 0.2026 0.1875 ( 2816 PWs) bands (ev): -23.6168 -23.6168 -17.8082 -17.8082 -14.2247 -14.2247 -14.2156 -14.2155 -9.4308 -9.4308 -7.2775 -7.2775 -7.0773 -7.0771 -6.8362 -6.8362 -2.9067 -2.9067 -2.8667 -2.8658 -2.1376 -2.1376 1.4958 1.4958 1.5043 1.5106 2.0143 2.0143 2.0204 2.0307 2.8214 2.8215 3.0661 3.0661 4.8502 4.8502 7.8331 7.8331 7.8726 7.8783 10.8271 10.8271 k = 0.2119 0.1948 0.1803 ( 2816 PWs) bands (ev): -23.6177 -23.6177 -17.8143 -17.8143 -14.2198 -14.2198 -14.2107 -14.2107 -9.4155 -9.4155 -7.2734 -7.2734 -7.0725 -7.0723 -6.8369 -6.8369 -2.9255 -2.9255 -2.8858 -2.8850 -2.1239 -2.1239 1.5037 1.5037 1.5121 1.5185 2.0002 2.0002 2.0063 2.0167 2.8119 2.8119 3.0475 3.0475 4.8513 4.8513 7.8496 7.8496 7.8893 7.8949 10.7701 10.7701 k = 0.2034 0.1870 0.1731 ( 2816 PWs) bands (ev): -23.6185 -23.6185 -17.8204 -17.8204 -14.2149 -14.2149 -14.2058 -14.2058 -9.4004 -9.4004 -7.2693 -7.2693 -7.0678 -7.0676 -6.8377 -6.8377 -2.9441 -2.9441 -2.9047 -2.9039 -2.1103 -2.1103 1.5114 1.5114 1.5195 1.5261 1.9870 1.9870 1.9932 2.0037 2.8025 2.8025 3.0297 3.0297 4.8521 4.8521 7.8654 7.8654 7.9053 7.9107 10.7128 10.7128 k = 0.1949 0.1792 0.1659 ( 2813 PWs) bands (ev): -23.6193 -23.6193 -17.8263 -17.8263 -14.2102 -14.2102 -14.2011 -14.2010 -9.3856 -9.3856 -7.2654 -7.2654 -7.0632 -7.0630 -6.8386 -6.8386 -2.9625 -2.9625 -2.9234 -2.9225 -2.0967 -2.0967 1.5187 1.5187 1.5267 1.5334 1.9749 1.9749 1.9810 1.9916 2.7932 2.7932 3.0126 3.0126 4.8527 4.8527 7.8805 7.8805 7.9206 7.9259 10.6555 10.6555 k = 0.1864 0.1714 0.1587 ( 2810 PWs) bands (ev): -23.6202 -23.6202 -17.8321 -17.8321 -14.2055 -14.2055 -14.1963 -14.1963 -9.3711 -9.3711 -7.2616 -7.2616 -7.0587 -7.0586 -6.8395 -6.8395 -2.9805 -2.9805 -2.9416 -2.9408 -2.0833 -2.0833 1.5257 1.5257 1.5334 1.5403 1.9637 1.9637 1.9699 1.9805 2.7842 2.7842 2.9963 2.9963 4.8532 4.8532 7.8949 7.8949 7.9351 7.9402 10.5985 10.5985 k = 0.1780 0.1636 0.1515 ( 2804 PWs) bands (ev): -23.6210 -23.6210 -17.8377 -17.8377 -14.2008 -14.2008 -14.1917 -14.1917 -9.3570 -9.3570 -7.2580 -7.2580 -7.0544 -7.0542 -6.8405 -6.8405 -2.9982 -2.9982 -2.9595 -2.9587 -2.0700 -2.0700 1.5321 1.5321 1.5398 1.5468 1.9536 1.9536 1.9598 1.9703 2.7753 2.7753 2.9807 2.9807 4.8536 4.8536 7.9085 7.9085 7.9490 7.9539 10.5421 10.5421 k = 0.1695 0.1559 0.1443 ( 2810 PWs) bands (ev): -23.6218 -23.6218 -17.8431 -17.8431 -14.1963 -14.1963 -14.1872 -14.1872 -9.3432 -9.3432 -7.2544 -7.2544 -7.0502 -7.0501 -6.8415 -6.8415 -3.0154 -3.0154 -2.9770 -2.9762 -2.0570 -2.0570 1.5381 1.5381 1.5458 1.5528 1.9446 1.9446 1.9507 1.9612 2.7668 2.7668 2.9658 2.9658 4.8538 4.8538 7.9214 7.9214 7.9620 7.9668 10.4864 10.4864 k = 0.1610 0.1481 0.1370 ( 2810 PWs) bands (ev): -23.6225 -23.6225 -17.8484 -17.8484 -14.1919 -14.1919 -14.1828 -14.1828 -9.3299 -9.3299 -7.2511 -7.2511 -7.0462 -7.0461 -6.8424 -6.8424 -3.0322 -3.0322 -2.9940 -2.9932 -2.0443 -2.0443 1.5436 1.5436 1.5513 1.5583 1.9366 1.9366 1.9426 1.9530 2.7584 2.7584 2.9516 2.9516 4.8540 4.8540 7.9335 7.9335 7.9744 7.9789 10.4318 10.4318 k = 0.1525 0.1403 0.1298 ( 2810 PWs) bands (ev): -23.6233 -23.6233 -17.8535 -17.8535 -14.1877 -14.1877 -14.1786 -14.1785 -9.3170 -9.3170 -7.2479 -7.2479 -7.0423 -7.0422 -6.8434 -6.8434 -3.0484 -3.0484 -3.0104 -3.0097 -2.0318 -2.0318 1.5485 1.5485 1.5564 1.5633 1.9296 1.9296 1.9356 1.9458 2.7504 2.7504 2.9382 2.9382 4.8542 4.8542 7.9450 7.9450 7.9859 7.9903 10.3785 10.3785 k = 0.1441 0.1325 0.1226 ( 2810 PWs) bands (ev): -23.6240 -23.6240 -17.8583 -17.8583 -14.1835 -14.1835 -14.1744 -14.1744 -9.3047 -9.3047 -7.2448 -7.2448 -7.0387 -7.0385 -6.8444 -6.8444 -3.0640 -3.0640 -3.0263 -3.0255 -2.0198 -2.0198 1.5529 1.5529 1.5610 1.5678 1.9236 1.9236 1.9296 1.9395 2.7427 2.7427 2.9254 2.9254 4.8544 4.8544 7.9556 7.9556 7.9968 8.0010 10.3267 10.3267 k = 0.1356 0.1247 0.1154 ( 2819 PWs) bands (ev): -23.6247 -23.6247 -17.8629 -17.8629 -14.1796 -14.1796 -14.1705 -14.1705 -9.2929 -9.2929 -7.2419 -7.2419 -7.0352 -7.0351 -6.8453 -6.8453 -3.0791 -3.0791 -3.0415 -3.0408 -2.0082 -2.0082 1.5567 1.5567 1.5650 1.5717 1.9186 1.9186 1.9245 1.9342 2.7353 2.7353 2.9133 2.9133 4.8547 4.8547 7.9656 7.9656 8.0069 8.0109 10.2766 10.2766 k = 0.1271 0.1169 0.1082 ( 2825 PWs) bands (ev): -23.6254 -23.6254 -17.8673 -17.8673 -14.1758 -14.1758 -14.1667 -14.1667 -9.2816 -9.2816 -7.2392 -7.2392 -7.0319 -7.0318 -6.8462 -6.8462 -3.0934 -3.0934 -3.0560 -3.0554 -1.9971 -1.9971 1.5600 1.5600 1.5687 1.5751 1.9145 1.9145 1.9203 1.9296 2.7282 2.7282 2.9020 2.9020 4.8550 4.8550 7.9749 7.9749 8.0163 8.0201 10.2285 10.2285 k = 0.1186 0.1091 0.1010 ( 2825 PWs) bands (ev): -23.6260 -23.6260 -17.8715 -17.8715 -14.1722 -14.1722 -14.1631 -14.1631 -9.2710 -9.2710 -7.2366 -7.2366 -7.0288 -7.0287 -6.8470 -6.8470 -3.1070 -3.1070 -3.0698 -3.0692 -1.9865 -1.9865 1.5628 1.5628 1.5718 1.5780 1.9112 1.9112 1.9170 1.9259 2.7216 2.7216 2.8913 2.8913 4.8554 4.8554 7.9834 7.9834 8.0251 8.0286 10.1825 10.1825 k = 0.1102 0.1013 0.0938 ( 2825 PWs) bands (ev): -23.6266 -23.6266 -17.8754 -17.8754 -14.1687 -14.1687 -14.1596 -14.1596 -9.2610 -9.2610 -7.2342 -7.2342 -7.0259 -7.0258 -6.8478 -6.8478 -3.1199 -3.1199 -3.0828 -3.0823 -1.9765 -1.9765 1.5652 1.5652 1.5745 1.5805 1.9087 1.9087 1.9144 1.9229 2.7153 2.7153 2.8813 2.8813 4.8558 4.8558 7.9913 7.9913 8.0331 8.0364 10.1388 10.1388 k = 0.1017 0.0935 0.0866 ( 2831 PWs) bands (ev): -23.6272 -23.6272 -17.8790 -17.8790 -14.1655 -14.1655 -14.1564 -14.1564 -9.2517 -9.2517 -7.2320 -7.2320 -7.0232 -7.0231 -6.8485 -6.8485 -3.1320 -3.1320 -3.0951 -3.0945 -1.9670 -1.9670 1.5670 1.5670 1.5768 1.5824 1.9069 1.9069 1.9126 1.9205 2.7094 2.7094 2.8720 2.8720 4.8563 4.8563 7.9985 7.9985 8.0405 8.0435 10.0976 10.0976 k = 0.0932 0.0857 0.0793 ( 2831 PWs) bands (ev): -23.6277 -23.6277 -17.8824 -17.8824 -14.1625 -14.1625 -14.1534 -14.1534 -9.2431 -9.2431 -7.2300 -7.2300 -7.0207 -7.0206 -6.8491 -6.8491 -3.1433 -3.1433 -3.1065 -3.1060 -1.9582 -1.9582 1.5685 1.5685 1.5788 1.5840 1.9056 1.9056 1.9113 1.9186 2.7039 2.7039 2.8634 2.8634 4.8569 4.8569 8.0051 8.0051 8.0472 8.0500 10.0590 10.0590 k = 0.0847 0.0779 0.0721 ( 2825 PWs) bands (ev): -23.6282 -23.6282 -17.8855 -17.8855 -14.1598 -14.1598 -14.1507 -14.1507 -9.2351 -9.2351 -7.2281 -7.2281 -7.0184 -7.0183 -6.8497 -6.8497 -3.1537 -3.1537 -3.1170 -3.1165 -1.9500 -1.9500 1.5697 1.5697 1.5804 1.5852 1.9048 1.9048 1.9105 1.9173 2.6989 2.6989 2.8555 2.8555 4.8575 4.8575 8.0111 8.0111 8.0533 8.0559 10.0232 10.0232 k = 0.0763 0.0701 0.0649 ( 2831 PWs) bands (ev): -23.6287 -23.6287 -17.8883 -17.8883 -14.1572 -14.1572 -14.1481 -14.1481 -9.2279 -9.2279 -7.2264 -7.2264 -7.0163 -7.0162 -6.8502 -6.8502 -3.1632 -3.1632 -3.1266 -3.1262 -1.9426 -1.9426 1.5705 1.5705 1.5817 1.5861 1.9045 1.9045 1.9102 1.9163 2.6942 2.6942 2.8483 2.8483 4.8581 4.8581 8.0164 8.0164 8.0588 8.0611 9.9904 9.9904 k = 0.0678 0.0623 0.0577 ( 2813 PWs) bands (ev): -23.6291 -23.6291 -17.8909 -17.8909 -14.1549 -14.1549 -14.1458 -14.1458 -9.2213 -9.2213 -7.2248 -7.2248 -7.0144 -7.0143 -6.8506 -6.8506 -3.1718 -3.1718 -3.1353 -3.1349 -1.9358 -1.9358 1.5711 1.5711 1.5828 1.5868 1.9044 1.9044 1.9102 1.9157 2.6901 2.6901 2.8418 2.8418 4.8588 4.8588 8.0211 8.0211 8.0637 8.0657 9.9607 9.9607 k = 0.0593 0.0545 0.0505 ( 2813 PWs) bands (ev): -23.6294 -23.6294 -17.8931 -17.8931 -14.1529 -14.1529 -14.1438 -14.1438 -9.2156 -9.2156 -7.2235 -7.2235 -7.0128 -7.0127 -6.8509 -6.8509 -3.1794 -3.1794 -3.1430 -3.1427 -1.9298 -1.9298 1.5715 1.5716 1.5837 1.5872 1.9046 1.9046 1.9104 1.9153 2.6864 2.6864 2.8361 2.8361 4.8595 4.8595 8.0252 8.0252 8.0679 8.0697 9.9342 9.9342 k = 0.0508 0.0468 0.0433 ( 2822 PWs) bands (ev): -23.6297 -23.6297 -17.8951 -17.8951 -14.1511 -14.1511 -14.1420 -14.1420 -9.2106 -9.2106 -7.2223 -7.2223 -7.0113 -7.0113 -6.8513 -6.8513 -3.1861 -3.1861 -3.1497 -3.1494 -1.9245 -1.9245 1.5718 1.5718 1.5844 1.5874 1.9049 1.9049 1.9108 1.9150 2.6832 2.6832 2.8310 2.8310 4.8601 4.8601 8.0288 8.0288 8.0716 8.0732 9.9109 9.9109 k = 0.0424 0.0390 0.0361 ( 2825 PWs) bands (ev): -23.6300 -23.6300 -17.8968 -17.8968 -14.1496 -14.1496 -14.1405 -14.1405 -9.2063 -9.2063 -7.2213 -7.2213 -7.0101 -7.0101 -6.8515 -6.8515 -3.1917 -3.1917 -3.1555 -3.1552 -1.9201 -1.9201 1.5720 1.5720 1.5850 1.5875 1.9053 1.9053 1.9114 1.9149 2.6805 2.6805 2.8268 2.8268 4.8607 4.8607 8.0318 8.0318 8.0747 8.0760 9.8911 9.8911 k = 0.0339 0.0312 0.0289 ( 2819 PWs) bands (ev): -23.6302 -23.6302 -17.8981 -17.8981 -14.1483 -14.1483 -14.1392 -14.1392 -9.2028 -9.2028 -7.2205 -7.2205 -7.0091 -7.0091 -6.8517 -6.8517 -3.1964 -3.1964 -3.1602 -3.1600 -1.9164 -1.9164 1.5721 1.5721 1.5855 1.5875 1.9057 1.9057 1.9119 1.9148 2.6782 2.6782 2.8232 2.8232 4.8612 4.8612 8.0342 8.0342 8.0773 8.0783 9.8748 9.8748 k = 0.0254 0.0234 0.0216 ( 2807 PWs) bands (ev): -23.6304 -23.6304 -17.8992 -17.8992 -14.1473 -14.1473 -14.1383 -14.1383 -9.2001 -9.2001 -7.2199 -7.2199 -7.0083 -7.0083 -6.8519 -6.8519 -3.2001 -3.2001 -3.1638 -3.1637 -1.9135 -1.9135 1.5721 1.5721 1.5859 1.5874 1.9060 1.9060 1.9125 1.9146 2.6765 2.6765 2.8205 2.8205 4.8617 4.8617 8.0361 8.0361 8.0793 8.0801 9.8620 9.8620 k = 0.0169 0.0156 0.0144 ( 2807 PWs) bands (ev): -23.6305 -23.6305 -17.9000 -17.9000 -14.1467 -14.1467 -14.1376 -14.1376 -9.1981 -9.1981 -7.2194 -7.2194 -7.0077 -7.0077 -6.8520 -6.8520 -3.2027 -3.2027 -3.1664 -3.1664 -1.9114 -1.9114 1.5721 1.5721 1.5862 1.5872 1.9063 1.9063 1.9131 1.9145 2.6752 2.6752 2.8185 2.8185 4.8620 4.8620 8.0374 8.0374 8.0808 8.0813 9.8529 9.8529 k = 0.0085 0.0078 0.0072 ( 2801 PWs) bands (ev): -23.6306 -23.6306 -17.9004 -17.9004 -14.1462 -14.1462 -14.1371 -14.1371 -9.1969 -9.1969 -7.2191 -7.2191 -7.0074 -7.0074 -6.8520 -6.8520 -3.2042 -3.2042 -3.1680 -3.1680 -1.9102 -1.9102 1.5721 1.5721 1.5865 1.5870 1.9065 1.9065 1.9136 1.9143 2.6745 2.6745 2.8174 2.8174 4.8622 4.8622 8.0382 8.0382 8.0817 8.0820 9.8474 9.8474 k = 0.0000 0.0000 0.0000 ( 2795 PWs) bands (ev): -23.6306 -23.6306 -17.9006 -17.9006 -14.1461 -14.1461 -14.1370 -14.1370 -9.1965 -9.1965 -7.2190 -7.2190 -7.0073 -7.0073 -6.8521 -6.8521 -3.2048 -3.2048 -3.1685 -3.1685 -1.9098 -1.9098 1.5721 1.5721 1.5868 1.5868 1.9066 1.9066 1.9140 1.9140 2.6742 2.6742 2.8170 2.8170 4.8623 4.8623 8.0385 8.0385 8.0822 8.0822 9.8455 9.8455 k = 0.0000 0.0000 0.0000 ( 2795 PWs) bands (ev): -23.6306 -23.6306 -17.9006 -17.9006 -14.1461 -14.1461 -14.1370 -14.1370 -9.1965 -9.1965 -7.2190 -7.2190 -7.0073 -7.0073 -6.8521 -6.8521 -3.2048 -3.2048 -3.1685 -3.1685 -1.9098 -1.9098 1.5721 1.5721 1.5868 1.5868 1.9066 1.9066 1.9140 1.9140 2.6742 2.6742 2.8170 2.8170 4.8623 4.8623 8.0385 8.0385 8.0822 8.0822 9.8455 9.8455 k = 0.0091-0.0008-0.0099 ( 2805 PWs) bands (ev): -23.6306 -23.6306 -17.9005 -17.9005 -14.1463 -14.1462 -14.1372 -14.1372 -9.1970 -9.1952 -7.2265 -7.2119 -7.0077 -7.0077 -6.8587 -6.8455 -3.2055 -3.2038 -3.1684 -3.1684 -1.9105 -1.9083 1.5714 1.5716 1.5863 1.5863 1.9061 1.9064 1.9136 1.9136 2.6730 2.6732 2.8182 2.8195 4.8627 4.8634 8.0387 8.0392 8.0826 8.0826 9.8476 9.8478 k = 0.0182-0.0015-0.0197 ( 2807 PWs) bands (ev): -23.6305 -23.6305 -17.9001 -17.9001 -14.1470 -14.1468 -14.1378 -14.1377 -9.1966 -9.1930 -7.2343 -7.2052 -7.0091 -7.0087 -6.8651 -6.8391 -3.2061 -3.2026 -3.1682 -3.1679 -1.9105 -1.9060 1.5693 1.5696 1.5849 1.5850 1.9050 1.9057 1.9128 1.9130 2.6696 2.6700 2.8231 2.8258 4.8646 4.8660 8.0394 8.0406 8.0840 8.0842 9.8541 9.8544 k = 0.0273-0.0023-0.0296 ( 2809 PWs) bands (ev): -23.6304 -23.6304 -17.8995 -17.8995 -14.1482 -14.1478 -14.1387 -14.1384 -9.1953 -9.1900 -7.2424 -7.1988 -7.0116 -7.0102 -6.8712 -6.8330 -3.2067 -3.2012 -3.1678 -3.1667 -1.9097 -1.9030 1.5648 1.5655 1.5832 1.5835 1.9031 1.9042 1.9121 1.9125 2.6640 2.6646 2.8316 2.8355 4.8680 4.8702 8.0402 8.0421 8.0867 8.0875 9.8649 9.8654 k = 0.0364-0.0031-0.0395 ( 2810 PWs) bands (ev): -23.6302 -23.6302 -17.8987 -17.8986 -14.1500 -14.1493 -14.1398 -14.1393 -9.1932 -9.1861 -7.2508 -7.1929 -7.0154 -7.0122 -6.8767 -6.8272 -3.2076 -3.1996 -3.1671 -3.1647 -1.9082 -1.8993 1.5571 1.5583 1.5817 1.5824 1.9009 1.9022 1.9117 1.9123 2.6563 2.6571 2.8432 2.8484 4.8729 4.8757 8.0403 8.0432 8.0915 8.0931 9.8800 9.8807 k = 0.0455-0.0038-0.0493 ( 2814 PWs) bands (ev): -23.6300 -23.6300 -17.8976 -17.8976 -14.1525 -14.1515 -14.1410 -14.1401 -9.1902 -9.1815 -7.2595 -7.1874 -7.0206 -7.0145 -6.8814 -6.8218 -3.2088 -3.1982 -3.1661 -3.1617 -1.9060 -1.8949 1.5460 1.5476 1.5807 1.5816 1.8991 1.9006 1.9116 1.9124 2.6466 2.6477 2.8578 2.8641 4.8792 4.8827 8.0392 8.0431 8.0989 8.1015 9.8993 9.9002 k = 0.0546-0.0046-0.0592 ( 2814 PWs) bands (ev): -23.6298 -23.6298 -17.8963 -17.8963 -14.1558 -14.1544 -14.1422 -14.1410 -9.1865 -9.1762 -7.2684 -7.1823 -7.0274 -7.0172 -6.8852 -6.8169 -3.2107 -3.1970 -3.1643 -3.1575 -1.9031 -1.8899 1.5313 1.5333 1.5800 1.5812 1.8985 1.8999 1.9119 1.9129 2.6350 2.6364 2.8748 2.8821 4.8869 4.8910 8.0366 8.0417 8.1089 8.1125 9.9228 9.9239 k = 0.0637-0.0053-0.0691 ( 2814 PWs) bands (ev): -23.6295 -23.6295 -17.8948 -17.8947 -14.1598 -14.1580 -14.1433 -14.1418 -9.1819 -9.1701 -7.2775 -7.1778 -7.0358 -7.0201 -6.8880 -6.8124 -3.2131 -3.1964 -3.1615 -3.1521 -1.8996 -1.8843 1.5130 1.5154 1.5795 1.5809 1.8995 1.9007 1.9124 1.9138 2.6217 2.6233 2.8939 2.9020 4.8958 4.9005 8.0327 8.0389 8.1214 8.1260 9.9505 9.9517 k = 0.0728-0.0061-0.0789 ( 2814 PWs) bands (ev): -23.6291 -23.6291 -17.8930 -17.8929 -14.1644 -14.1623 -14.1445 -14.1426 -9.1767 -9.1635 -7.2868 -7.1738 -7.0456 -7.0232 -6.8899 -6.8085 -3.2162 -3.1966 -3.1576 -3.1455 -1.8955 -1.8783 1.4913 1.4942 1.5792 1.5808 1.9019 1.9034 1.9133 1.9154 2.6067 2.6086 2.9146 2.9235 4.9060 4.9111 8.0277 8.0349 8.1360 8.1416 9.9821 9.9835 k = 0.0819-0.0069-0.0888 ( 2818 PWs) bands (ev): -23.6288 -23.6288 -17.8910 -17.8909 -14.1697 -14.1673 -14.1457 -14.1435 -9.1709 -9.1562 -7.2963 -7.1704 -7.0567 -7.0265 -6.8909 -6.8050 -3.2198 -3.1976 -3.1522 -3.1378 -1.8909 -1.8718 1.4667 1.4699 1.5788 1.5807 1.9048 1.9074 1.9155 1.9186 2.5903 2.5925 2.9367 2.9463 4.9172 4.9228 8.0216 8.0298 8.1523 8.1589 10.0176 10.0192 k = 0.0910-0.0076-0.0987 ( 2818 PWs) bands (ev): -23.6283 -23.6283 -17.8888 -17.8887 -14.1755 -14.1728 -14.1469 -14.1445 -9.1644 -9.1486 -7.3059 -7.1677 -7.0687 -7.0299 -6.8912 -6.8020 -3.2239 -3.1993 -3.1456 -3.1290 -1.8859 -1.8650 1.4395 1.4431 1.5786 1.5807 1.9071 1.9102 1.9212 1.9247 2.5727 2.5752 2.9598 2.9700 4.9294 4.9354 8.0146 8.0238 8.1700 8.1775 10.0569 10.0587 k = 0.1001-0.0084-0.1085 ( 2816 PWs) bands (ev): -23.6279 -23.6279 -17.8863 -17.8862 -14.1818 -14.1789 -14.1482 -14.1455 -9.1575 -9.1405 -7.3155 -7.1660 -7.0813 -7.0335 -6.8908 -6.7995 -3.2283 -3.2017 -3.1377 -3.1192 -1.8806 -1.8579 1.4103 1.4142 1.5783 1.5807 1.9083 1.9114 1.9305 1.9338 2.5540 2.5569 2.9837 2.9944 4.9426 4.9488 8.0067 8.0170 8.1887 8.1971 10.0999 10.1018 k = 0.1092-0.0092-0.1184 ( 2820 PWs) bands (ev): -23.6274 -23.6274 -17.8837 -17.8835 -14.1886 -14.1854 -14.1496 -14.1466 -9.1501 -9.1321 -7.3252 -7.1656 -7.0940 -7.0372 -6.8900 -6.7976 -3.2331 -3.2046 -3.1287 -3.1085 -1.8751 -1.8507 1.3796 1.3838 1.5781 1.5807 1.9088 1.9120 1.9424 1.9453 2.5345 2.5377 3.0081 3.0192 4.9565 4.9630 7.9980 8.0093 8.2081 8.2174 10.1463 10.1484 k = 0.1183-0.0099-0.1283 ( 2820 PWs) bands (ev): -23.6269 -23.6269 -17.8808 -17.8806 -14.1958 -14.1924 -14.1510 -14.1479 -9.1423 -9.1235 -7.3348 -7.1669 -7.1060 -7.0409 -6.8888 -6.7961 -3.2381 -3.2080 -3.1186 -3.0969 -1.8694 -1.8434 1.3480 1.3524 1.5779 1.5807 1.9088 1.9122 1.9561 1.9587 2.5145 2.5180 3.0330 3.0445 4.9710 4.9777 7.9885 8.0009 8.2279 8.2380 10.1960 10.1983 k = 0.1274-0.0107-0.1382 ( 2820 PWs) bands (ev): -23.6263 -23.6263 -17.8777 -17.8775 -14.2033 -14.1997 -14.1526 -14.1492 -9.1343 -9.1147 -7.3443 -7.1709 -7.1162 -7.0446 -6.8875 -6.7951 -3.2433 -3.2117 -3.1076 -3.0844 -1.8637 -1.8362 1.3159 1.3206 1.5778 1.5808 1.9085 1.9121 1.9713 1.9737 2.4940 2.4979 3.0581 3.0699 4.9862 4.9930 7.9783 7.9918 8.2477 8.2587 10.2489 10.2513 k = 0.1365-0.0115-0.1480 ( 2830 PWs) bands (ev): -23.6258 -23.6258 -17.8744 -17.8742 -14.2112 -14.2074 -14.1543 -14.1507 -9.1261 -9.1060 -7.3537 -7.1782 -7.1238 -7.0484 -6.8861 -6.7947 -3.2486 -3.2157 -3.0956 -3.0711 -1.8580 -1.8292 1.2838 1.2887 1.5776 1.5809 1.9078 1.9117 1.9875 1.9898 2.4736 2.4777 3.0834 3.0954 5.0017 5.0087 7.9674 7.9819 8.2672 8.2791 10.3046 10.3072 k = 0.1456-0.0122-0.1579 ( 2826 PWs) bands (ev): -23.6252 -23.6252 -17.8708 -17.8706 -14.2194 -14.2153 -14.1561 -14.1522 -9.1178 -9.0973 -7.3628 -7.1889 -7.1287 -7.0521 -6.8847 -6.7947 -3.2539 -3.2198 -3.0828 -3.0571 -1.8526 -1.8224 1.2522 1.2573 1.5775 1.5811 1.9066 1.9110 2.0047 2.0067 2.4533 2.4578 3.1089 3.1211 5.0177 5.0246 7.9557 7.9714 8.2862 8.2990 10.3630 10.3658 k = 0.1547-0.0130-0.1678 ( 2830 PWs) bands (ev): -23.6245 -23.6245 -17.8671 -17.8669 -14.2278 -14.2235 -14.1580 -14.1540 -9.1094 -9.0887 -7.3715 -7.2018 -7.1315 -7.0558 -6.8835 -6.7953 -3.2592 -3.2241 -3.0692 -3.0423 -1.8475 -1.8161 1.2213 1.2266 1.5775 1.5812 1.9050 1.9099 2.0223 2.0243 2.4335 2.4383 3.1344 3.1467 5.0338 5.0407 7.9434 7.9601 8.3043 8.3181 10.4238 10.4268 k = 0.1638-0.0138-0.1776 ( 2832 PWs) bands (ev): -23.6239 -23.6239 -17.8632 -17.8630 -14.2363 -14.2319 -14.1601 -14.1559 -9.1012 -9.0805 -7.3798 -7.2161 -7.1333 -7.0594 -6.8826 -6.7964 -3.2644 -3.2284 -3.0549 -3.0269 -1.8427 -1.8102 1.1916 1.1970 1.5774 1.5814 1.9028 1.9082 2.0403 2.0421 2.4145 2.4197 3.1599 3.1723 5.0501 5.0569 7.9303 7.9483 8.3213 8.3360 10.4867 10.4898 k = 0.1729-0.0145-0.1875 ( 2830 PWs) bands (ev): -23.6232 -23.6232 -17.8592 -17.8590 -14.2450 -14.2404 -14.1624 -14.1579 -9.0932 -9.0725 -7.3877 -7.2310 -7.1344 -7.0629 -6.8820 -6.7980 -3.2694 -3.2327 -3.0398 -3.0108 -1.8385 -1.8050 1.1632 1.1688 1.5774 1.5817 1.8999 1.9061 2.0583 2.0599 2.3967 2.4022 3.1854 3.1979 5.0664 5.0731 7.9166 7.9357 8.3369 8.3526 10.5514 10.5546 k = 0.1820-0.0153-0.1974 ( 2828 PWs) bands (ev): -23.6226 -23.6226 -17.8549 -17.8547 -14.2538 -14.2490 -14.1647 -14.1601 -9.0854 -9.0650 -7.3949 -7.2460 -7.1353 -7.0663 -6.8818 -6.8002 -3.2743 -3.2369 -3.0242 -2.9942 -1.8349 -1.8005 1.1364 1.1422 1.5774 1.5819 1.8965 1.9033 2.0760 2.0774 2.3804 2.3862 3.2110 3.2234 5.0826 5.0891 7.9023 7.9226 8.3509 8.3675 10.6175 10.6208 k = 0.1911-0.0160-0.2072 ( 2832 PWs) bands (ev): -23.6219 -23.6219 -17.8505 -17.8503 -14.2626 -14.2576 -14.1673 -14.1625 -9.0780 -9.0580 -7.4015 -7.2609 -7.1362 -7.0696 -6.8821 -6.8028 -3.2789 -3.2410 -3.0080 -2.9771 -1.8321 -1.7968 1.1115 1.1174 1.5773 1.5821 1.8923 1.8999 2.0931 2.0943 2.3659 2.3721 3.2365 3.2489 5.0986 5.1049 7.8874 7.9089 8.3631 8.3807 10.6846 10.6880 k = 0.2002-0.0168-0.2171 ( 2832 PWs) bands (ev): -23.6212 -23.6212 -17.8460 -17.8457 -14.2714 -14.2663 -14.1700 -14.1650 -9.0710 -9.0516 -7.4074 -7.2753 -7.1370 -7.0728 -6.8830 -6.8060 -3.2832 -3.2449 -2.9914 -2.9596 -1.8300 -1.7940 1.0885 1.0946 1.5772 1.5823 1.8875 1.8958 2.1094 2.1103 2.3538 2.3602 3.2620 3.2743 5.1142 5.1204 7.8719 7.8946 8.3733 8.3919 10.7523 10.7557 k = 0.2093-0.0176-0.2270 ( 2834 PWs) bands (ev): -23.6205 -23.6205 -17.8413 -17.8411 -14.2802 -14.2749 -14.1729 -14.1677 -9.0645 -9.0458 -7.4125 -7.2892 -7.1380 -7.0758 -6.8845 -6.8097 -3.2872 -3.2486 -2.9743 -2.9417 -1.8288 -1.7921 1.0677 1.0739 1.5770 1.5824 1.8820 1.8912 2.1243 2.1250 2.3444 2.3509 3.2874 3.2996 5.1295 5.1354 7.8559 7.8798 8.3813 8.4010 10.8200 10.8235 k = 0.2184-0.0183-0.2368 ( 2834 PWs) bands (ev): -23.6198 -23.6198 -17.8364 -17.8362 -14.2888 -14.2834 -14.1760 -14.1707 -9.0586 -9.0407 -7.4169 -7.3024 -7.1390 -7.0786 -6.8866 -6.8138 -3.2908 -3.2520 -2.9569 -2.9236 -1.8285 -1.7913 1.0491 1.0555 1.5765 1.5824 1.8760 1.8860 2.1376 2.1382 2.3380 2.3445 3.3128 3.3248 5.1442 5.1499 7.8394 7.8646 8.3871 8.4078 10.8872 10.8907 k = 0.2275-0.0191-0.2467 ( 2834 PWs) bands (ev): -23.6191 -23.6191 -17.8315 -17.8313 -14.2973 -14.2918 -14.1793 -14.1738 -9.0534 -9.0363 -7.4203 -7.3147 -7.1400 -7.0812 -6.8895 -6.8184 -3.2940 -3.2551 -2.9392 -2.9052 -1.8292 -1.7915 1.0327 1.0393 1.5758 1.5821 1.8696 1.8804 2.1488 2.1496 2.3351 2.3415 3.3381 3.3500 5.1582 5.1638 7.8226 7.8490 8.3905 8.4123 10.9534 10.9569 k = 0.2366-0.0199-0.2566 ( 2842 PWs) bands (ev): -23.6185 -23.6185 -17.8265 -17.8263 -14.3056 -14.2999 -14.1827 -14.1771 -9.0488 -9.0326 -7.4230 -7.3263 -7.1412 -7.0836 -6.8932 -6.8235 -3.2967 -3.2579 -2.9213 -2.8866 -1.8309 -1.7928 1.0187 1.0254 1.5748 1.5815 1.8630 1.8745 2.1577 2.1591 2.3357 2.3418 3.3632 3.3749 5.1714 5.1769 7.8055 7.8331 8.3915 8.4143 11.0179 11.0213 k = 0.2457-0.0206-0.2664 ( 2850 PWs) bands (ev): -23.6178 -23.6178 -17.8214 -17.8212 -14.3137 -14.3079 -14.1864 -14.1807 -9.0450 -9.0297 -7.4248 -7.3368 -7.1425 -7.0857 -6.8976 -6.8289 -3.2990 -3.2603 -2.9032 -2.8680 -1.8336 -1.7952 1.0070 1.0139 1.5733 1.5804 1.8565 1.8686 2.1646 2.1665 2.3398 2.3454 3.3882 3.3997 5.1838 5.1891 7.7881 7.8169 8.3900 8.4138 11.0800 11.0833 k = 0.2548-0.0214-0.2763 ( 2852 PWs) bands (ev): -23.6171 -23.6171 -17.8162 -17.8160 -14.3215 -14.3156 -14.1903 -14.1844 -9.0419 -9.0275 -7.4257 -7.3464 -7.1437 -7.0876 -6.9028 -6.8347 -3.3007 -3.2623 -2.8851 -2.8494 -1.8374 -1.7988 0.9975 1.0047 1.5712 1.5789 1.8503 1.8629 2.1696 2.1721 2.3470 2.3520 3.4130 3.4243 5.1951 5.2004 7.7707 7.8007 8.3860 8.4108 11.1391 11.1423 k = 0.2639-0.0222-0.2862 ( 2846 PWs) bands (ev): -23.6165 -23.6164 -17.8110 -17.8108 -14.3290 -14.3230 -14.1944 -14.1884 -9.0396 -9.0260 -7.4259 -7.3549 -7.1451 -7.0893 -6.9088 -6.8408 -3.3020 -3.2640 -2.8670 -2.8308 -1.8422 -1.8034 0.9903 0.9977 1.5685 1.5767 1.8448 1.8578 2.1732 2.1762 2.3568 2.3613 3.4376 3.4485 5.2054 5.2106 7.7533 7.7845 8.3796 8.4054 11.1946 11.1976 k = 0.2730-0.0229-0.2960 ( 2850 PWs) bands (ev): -23.6158 -23.6158 -17.8057 -17.8055 -14.3362 -14.3300 -14.1988 -14.1926 -9.0380 -9.0252 -7.4254 -7.3624 -7.1464 -7.0907 -6.9155 -6.8473 -3.3028 -3.2652 -2.8489 -2.8122 -1.8480 -1.8091 0.9852 0.9929 1.5651 1.5739 1.8401 1.8533 2.1759 2.1793 2.3685 2.3726 3.4617 3.4724 5.2143 5.2197 7.7360 7.7684 8.3707 8.3976 11.2459 11.2487 k = 0.2821-0.0237-0.3059 ( 2846 PWs) bands (ev): -23.6152 -23.6152 -17.8004 -17.8002 -14.3430 -14.3367 -14.2033 -14.1971 -9.0373 -9.0250 -7.4242 -7.3688 -7.1478 -7.0918 -6.9229 -6.8539 -3.3031 -3.2660 -2.8310 -2.7939 -1.8548 -1.8159 0.9821 0.9901 1.5610 1.5703 1.8364 1.8496 2.1780 2.1817 2.3818 2.3856 3.4855 3.4959 5.2220 5.2274 7.7191 7.7526 8.3595 8.3874 11.2925 11.2951 k = 0.2912-0.0245-0.3158 ( 2844 PWs) bands (ev): -23.6145 -23.6145 -17.7951 -17.7950 -14.3493 -14.3430 -14.2081 -14.2017 -9.0372 -9.0254 -7.4226 -7.3741 -7.1491 -7.0926 -6.9310 -6.8609 -3.3029 -3.2665 -2.8131 -2.7757 -1.8626 -1.8238 0.9810 0.9893 1.5562 1.5660 1.8339 1.8470 2.1799 2.1838 2.3963 2.3998 3.5088 3.5189 5.2282 5.2337 7.7027 7.7372 8.3460 8.3749 11.3341 11.3364 k = 0.3003-0.0252-0.3256 ( 2852 PWs) bands (ev): -23.6140 -23.6140 -17.7899 -17.7897 -14.3553 -14.3488 -14.2131 -14.2066 -9.0379 -9.0263 -7.4206 -7.3783 -7.1503 -7.0931 -6.9398 -6.8680 -3.3022 -3.2666 -2.7955 -2.7578 -1.8714 -1.8326 0.9815 0.9901 1.5509 1.5611 1.8327 1.8455 2.1817 2.1857 2.4116 2.4150 3.5315 3.5412 5.2328 5.2386 7.6868 7.7224 8.3303 8.3602 11.3705 11.3725 k = 0.3094-0.0260-0.3355 ( 2846 PWs) bands (ev): -23.6134 -23.6134 -17.7847 -17.7845 -14.3607 -14.3542 -14.2182 -14.2117 -9.0391 -9.0278 -7.4184 -7.3813 -7.1515 -7.0933 -6.9491 -6.8754 -3.3011 -3.2663 -2.7780 -2.7402 -1.8810 -1.8424 0.9837 0.9925 1.5451 1.5557 1.8326 1.8449 2.1837 2.1877 2.4276 2.4309 3.5535 3.5629 5.2359 5.2418 7.6718 7.7084 8.3126 8.3435 11.4018 11.4035 k = 0.3185-0.0267-0.3454 ( 2848 PWs) bands (ev): -23.6128 -23.6128 -17.7795 -17.7794 -14.3657 -14.3591 -14.2237 -14.2170 -9.0410 -9.0297 -7.4162 -7.3832 -7.1526 -7.0932 -6.9588 -6.8829 -3.2995 -3.2657 -2.7608 -2.7228 -1.8915 -1.8531 0.9872 0.9963 1.5391 1.5501 1.8337 1.8454 2.1859 2.1898 2.4441 2.4475 3.5747 3.5837 5.2374 5.2435 7.6577 7.6952 8.2931 8.3248 11.4280 11.4294 k = 0.3276-0.0275-0.3552 ( 2846 PWs) bands (ev): -23.6123 -23.6123 -17.7745 -17.7743 -14.3702 -14.3635 -14.2293 -14.2226 -9.0433 -9.0320 -7.4141 -7.3839 -7.1535 -7.0928 -6.9689 -6.8905 -3.2976 -3.2648 -2.7438 -2.7058 -1.9028 -1.8647 0.9918 1.0013 1.5330 1.5443 1.8357 1.8466 2.1884 2.1922 2.4610 2.4645 3.5952 3.6038 5.2372 5.2435 7.6448 7.6832 8.2718 8.3044 11.4494 11.4506 k = 0.3367-0.0283-0.3651 ( 2844 PWs) bands (ev): -23.6117 -23.6117 -17.7695 -17.7693 -14.3741 -14.3673 -14.2351 -14.2283 -9.0460 -9.0346 -7.4123 -7.3835 -7.1543 -7.0920 -6.9793 -6.8983 -3.2953 -3.2637 -2.7270 -2.6890 -1.9147 -1.8770 0.9975 1.0072 1.5270 1.5386 1.8384 1.8485 2.1912 2.1950 2.4782 2.4818 3.6146 3.6228 5.2353 5.2418 7.6332 7.6724 8.2489 8.2824 11.4666 11.4675 k = 0.3458-0.0290-0.3750 ( 2840 PWs) bands (ev): -23.6113 -23.6113 -17.7646 -17.7645 -14.3775 -14.3707 -14.2410 -14.2342 -9.0490 -9.0375 -7.4108 -7.3822 -7.1549 -7.0909 -6.9898 -6.9061 -3.2927 -3.2623 -2.7104 -2.6726 -1.9274 -1.8901 1.0039 1.0138 1.5215 1.5333 1.8416 1.8508 2.1943 2.1981 2.4957 2.4995 3.6331 3.6409 5.2318 5.2385 7.6231 7.6629 8.2247 8.2590 11.4799 11.4806 k = 0.3549-0.0298-0.3848 ( 2842 PWs) bands (ev): -23.6108 -23.6108 -17.7599 -17.7598 -14.3804 -14.3735 -14.2472 -14.2403 -9.0522 -9.0407 -7.4095 -7.3801 -7.1553 -7.0894 -7.0005 -6.9139 -3.2898 -3.2607 -2.6941 -2.6565 -1.9406 -1.9038 1.0108 1.0209 1.5166 1.5285 1.8450 1.8533 2.1979 2.2016 2.5135 2.5174 3.6505 3.6578 5.2267 5.2335 7.6145 7.6550 8.1993 8.2343 11.4898 11.4903 k = 0.3640-0.0306-0.3947 ( 2846 PWs) bands (ev): -23.6104 -23.6104 -17.7554 -17.7553 -14.3827 -14.3757 -14.2535 -14.2465 -9.0555 -9.0441 -7.4082 -7.3778 -7.1555 -7.0876 -7.0112 -6.9218 -3.2867 -3.2590 -2.6780 -2.6408 -1.9544 -1.9182 1.0180 1.0282 1.5124 1.5244 1.8485 1.8559 2.2019 2.2057 2.5314 2.5353 3.6667 3.6735 5.2202 5.2270 7.6077 7.6487 8.1728 8.2086 11.4968 11.4972 k = 0.3731-0.0313-0.4046 ( 2838 PWs) bands (ev): -23.6099 -23.6099 -17.7511 -17.7509 -14.3844 -14.3774 -14.2599 -14.2529 -9.0589 -9.0476 -7.4069 -7.3752 -7.1555 -7.0855 -7.0217 -6.9296 -3.2835 -3.2572 -2.6621 -2.6254 -1.9685 -1.9330 1.0253 1.0355 1.5092 1.5212 1.8519 1.8583 2.2063 2.2101 2.5493 2.5534 3.6817 3.6881 5.2123 5.2192 7.6028 7.6441 8.1456 8.1819 11.5014 11.5018 k = 0.3822-0.0321-0.4145 ( 2836 PWs) bands (ev): -23.6095 -23.6095 -17.7469 -17.7468 -14.3856 -14.3785 -14.2664 -14.2594 -9.0623 -9.0512 -7.4055 -7.3727 -7.1552 -7.0830 -7.0321 -6.9373 -3.2801 -3.2554 -2.6464 -2.6103 -1.9830 -1.9483 1.0326 1.0426 1.5069 1.5188 1.8549 1.8605 2.2112 2.2150 2.5672 2.5713 3.6955 3.7014 5.2033 5.2101 7.5997 7.6414 8.1177 8.1546 11.5040 11.5043 k = 0.3913-0.0329-0.4243 ( 2836 PWs) bands (ev): -23.6092 -23.6092 -17.7430 -17.7429 -14.3862 -14.3791 -14.2730 -14.2659 -9.0656 -9.0548 -7.4040 -7.3705 -7.1547 -7.0802 -7.0421 -6.9450 -3.2767 -3.2536 -2.6309 -2.5956 -1.9977 -1.9638 1.0396 1.0494 1.5058 1.5174 1.8574 1.8623 2.2164 2.2203 2.5850 2.5890 3.7080 3.7134 5.1934 5.2000 7.5987 7.6406 8.0893 8.1267 11.5050 11.5054 k = 0.4005-0.0336-0.4342 ( 2844 PWs) bands (ev): -23.6089 -23.6089 -17.7393 -17.7392 -14.3862 -14.3791 -14.2797 -14.2726 -9.0687 -9.0584 -7.4023 -7.3686 -7.1540 -7.0773 -7.0518 -6.9526 -3.2732 -3.2518 -2.6156 -2.5814 -2.0123 -1.9796 1.0462 1.0557 1.5057 1.5169 1.8594 1.8636 2.2219 2.2258 2.6024 2.6064 3.7192 3.7242 5.1827 5.1891 7.5996 7.6416 8.0607 8.0985 11.5049 11.5052 k = 0.4096-0.0344-0.4441 ( 2844 PWs) bands (ev): -23.6086 -23.6086 -17.7359 -17.7358 -14.3857 -14.3786 -14.2864 -14.2792 -9.0717 -9.0619 -7.4005 -7.3671 -7.1530 -7.0745 -7.0605 -6.9600 -3.2698 -3.2501 -2.6007 -2.5677 -2.0269 -1.9954 1.0524 1.0614 1.5066 1.5174 1.8609 1.8644 2.2277 2.2316 2.6194 2.6232 3.7292 3.7337 5.1715 5.1777 7.6026 7.6446 8.0321 8.0702 11.5038 11.5041 k = 0.4187-0.0352-0.4539 ( 2838 PWs) bands (ev): -23.6083 -23.6083 -17.7327 -17.7327 -14.3847 -14.3776 -14.2930 -14.2859 -9.0744 -9.0652 -7.3984 -7.3661 -7.1518 -7.0743 -7.0659 -6.9672 -3.2664 -3.2486 -2.5860 -2.5546 -2.0411 -2.0111 1.0580 1.0664 1.5085 1.5186 1.8617 1.8648 2.2335 2.2373 2.6357 2.6393 3.7379 3.7419 5.1603 5.1661 7.6076 7.6494 8.0036 8.0419 11.5022 11.5025 k = 0.4278-0.0359-0.4638 ( 2834 PWs) bands (ev): -23.6080 -23.6080 -17.7299 -17.7298 -14.3831 -14.3760 -14.2996 -14.2925 -9.0769 -9.0685 -7.3963 -7.3656 -7.1503 -7.0806 -7.0640 -6.9743 -3.2632 -3.2472 -2.5718 -2.5422 -2.0547 -2.0265 1.0629 1.0707 1.5111 1.5204 1.8620 1.8646 2.2394 2.2430 2.6511 2.6546 3.7455 3.7490 5.1491 5.1546 7.6145 7.6560 7.9755 8.0138 11.5001 11.5004 k = 0.4369-0.0367-0.4737 ( 2838 PWs) bands (ev): -23.6078 -23.6078 -17.7273 -17.7273 -14.3811 -14.3741 -14.3061 -14.2991 -9.0791 -9.0715 -7.3940 -7.3656 -7.1486 -7.0881 -7.0602 -6.9813 -3.2601 -3.2461 -2.5582 -2.5307 -2.0675 -2.0415 1.0673 1.0743 1.5142 1.5227 1.8618 1.8641 2.2450 2.2484 2.6655 2.6687 3.7519 3.7549 5.1385 5.1434 7.6233 7.6642 7.9481 7.9862 11.4979 11.4981 k = 0.4460-0.0374-0.4835 ( 2842 PWs) bands (ev): -23.6076 -23.6076 -17.7251 -17.7250 -14.3786 -14.3717 -14.3124 -14.3055 -9.0809 -9.0742 -7.3916 -7.3661 -7.1466 -7.0954 -7.0558 -6.9880 -3.2573 -3.2452 -2.5453 -2.5204 -2.0793 -2.0556 1.0711 1.0772 1.5177 1.5252 1.8613 1.8633 2.2504 2.2535 2.6786 2.6814 3.7572 3.7598 5.1285 5.1329 7.6338 7.6738 7.9217 7.9593 11.4956 11.4959 k = 0.4551-0.0382-0.4934 ( 2834 PWs) bands (ev): -23.6075 -23.6075 -17.7232 -17.7231 -14.3758 -14.3690 -14.3184 -14.3117 -9.0824 -9.0767 -7.3891 -7.3670 -7.1443 -7.1022 -7.0510 -6.9946 -3.2546 -3.2445 -2.5332 -2.5115 -2.0895 -2.0688 1.0743 1.0795 1.5213 1.5277 1.8606 1.8623 2.2553 2.2580 2.6902 2.6926 3.7615 3.7637 5.1197 5.1235 7.6459 7.6844 7.8968 7.9333 11.4935 11.4937 k = 0.4642-0.0390-0.5033 ( 2832 PWs) bands (ev): -23.6073 -23.6073 -17.7216 -17.7216 -14.3726 -14.3661 -14.3241 -14.3176 -9.0835 -9.0789 -7.3865 -7.3683 -7.1417 -7.1085 -7.0461 -7.0010 -3.2522 -3.2441 -2.5224 -2.5042 -2.0980 -2.0807 1.0769 1.0811 1.5248 1.5300 1.8598 1.8612 2.2596 2.2618 2.7000 2.7020 3.7650 3.7667 5.1122 5.1152 7.6592 7.6952 7.8741 7.9086 11.4916 11.4918 k = 0.5358 0.4208-0.0777 ( 2832 PWs) bands (ev): -23.6073 -23.6073 -17.7216 -17.7216 -14.3726 -14.3661 -14.3241 -14.3176 -9.0835 -9.0789 -7.3865 -7.3683 -7.1417 -7.1085 -7.0461 -7.0010 -3.2523 -3.2441 -2.5224 -2.5042 -2.0980 -2.0807 1.0769 1.0811 1.5248 1.5300 1.8598 1.8612 2.2596 2.2618 2.7000 2.7020 3.7650 3.7667 5.1122 5.1152 7.6592 7.6952 7.8741 7.9086 11.4916 11.4918 k = 0.5269 0.4305-0.0777 ( 2834 PWs) bands (ev): -23.6072 -23.6072 -17.7204 -17.7204 -14.3692 -14.3633 -14.3290 -14.3231 -9.0842 -9.0807 -7.3839 -7.3699 -7.1389 -7.1142 -7.0410 -7.0072 -3.2502 -3.2441 -2.5131 -2.4989 -2.1043 -2.0908 1.0790 1.0822 1.5279 1.5318 1.8591 1.8602 2.2630 2.2648 2.7078 2.7093 3.7676 3.7688 5.1063 5.1086 7.6731 7.7051 7.8551 7.8859 11.4901 11.4903 k = 0.5179 0.4403-0.0777 ( 2828 PWs) bands (ev): -23.6072 -23.6072 -17.7195 -17.7195 -14.3658 -14.3609 -14.3329 -14.3280 -9.0845 -9.0822 -7.3813 -7.3718 -7.1358 -7.1194 -7.0357 -7.0132 -3.2484 -3.2443 -2.5054 -2.4956 -2.1083 -2.0990 1.0806 1.0828 1.5304 1.5331 1.8586 1.8593 2.2657 2.2669 2.7136 2.7146 3.7694 3.7703 5.1020 5.1036 7.6871 7.7123 7.8413 7.8658 11.4890 11.4891 k = 0.5090 0.4500-0.0777 ( 2826 PWs) bands (ev): -23.6071 -23.6071 -17.7190 -17.7190 -14.3626 -14.3598 -14.3350 -14.3321 -9.0845 -9.0833 -7.3788 -7.3740 -7.1322 -7.1241 -7.0303 -7.0190 -3.2469 -3.2449 -2.4996 -2.4947 -2.1098 -2.1051 1.0818 1.0829 1.5323 1.5336 1.8583 1.8587 2.2674 2.2680 2.7172 2.7177 3.7706 3.7710 5.0996 5.1004 7.7000 7.7144 7.8352 7.8492 11.4883 11.4884 k = 0.5000 0.4598-0.0777 ( 2822 PWs) bands (ev): -23.6071 -23.6071 -17.7188 -17.7188 -14.3604 -14.3604 -14.3346 -14.3346 -9.0841 -9.0841 -7.3763 -7.3763 -7.1284 -7.1284 -7.0248 -7.0248 -3.2457 -3.2457 -2.4960 -2.4960 -2.1087 -2.1087 1.0826 1.0826 1.5334 1.5334 1.8583 1.8583 2.2682 2.2682 2.7186 2.7186 3.7711 3.7711 5.0991 5.0991 7.7099 7.7099 7.8383 7.8383 11.4881 11.4881 k = 0.5000 0.4598-0.0777 ( 2822 PWs) bands (ev): -23.6071 -23.6071 -17.7188 -17.7188 -14.3604 -14.3604 -14.3346 -14.3346 -9.0841 -9.0841 -7.3763 -7.3763 -7.1284 -7.1284 -7.0248 -7.0248 -3.2457 -3.2457 -2.4960 -2.4960 -2.1087 -2.1087 1.0826 1.0826 1.5334 1.5334 1.8583 1.8583 2.2682 2.2682 2.7186 2.7186 3.7711 3.7711 5.0991 5.0991 7.7099 7.7099 7.8383 7.8383 11.4881 11.4881 k = 0.5011 0.4608-0.0644 ( 2827 PWs) bands (ev): -23.6071 -23.6071 -17.7187 -17.7187 -14.3603 -14.3603 -14.3347 -14.3346 -9.0861 -9.0849 -7.3805 -7.3713 -7.1315 -7.1253 -7.0259 -7.0238 -3.2460 -3.2435 -2.4960 -2.4959 -2.1100 -2.1076 1.0822 1.0823 1.5326 1.5328 1.8598 1.8602 2.2691 2.2692 2.7186 2.7190 3.7710 3.7711 5.0979 5.0987 7.7089 7.7099 7.8374 7.8376 11.4884 11.4888 k = 0.5022 0.4618-0.0511 ( 2837 PWs) bands (ev): -23.6071 -23.6071 -17.7184 -17.7184 -14.3602 -14.3602 -14.3347 -14.3347 -9.0908 -9.0884 -7.3837 -7.3653 -7.1347 -7.1224 -7.0273 -7.0230 -3.2443 -3.2393 -2.4959 -2.4956 -2.1114 -2.1066 1.0812 1.0815 1.5306 1.5310 1.8647 1.8654 2.2719 2.2721 2.7191 2.7198 3.7709 3.7710 5.0952 5.0969 7.7070 7.7090 7.8350 7.8354 11.4896 11.4905 k = 0.5034 0.4629-0.0378 ( 2839 PWs) bands (ev): -23.6070 -23.6070 -17.7178 -17.7178 -14.3599 -14.3599 -14.3349 -14.3348 -9.0982 -9.0947 -7.3860 -7.3586 -7.1379 -7.1197 -7.0288 -7.0223 -3.2406 -3.2332 -2.4956 -2.4952 -2.1129 -2.1058 1.0798 1.0802 1.5274 1.5279 1.8728 1.8739 2.2764 2.2767 2.7200 2.7210 3.7706 3.7708 5.0911 5.0936 7.7041 7.7072 7.8311 7.8317 11.4919 11.4932 k = 0.5045 0.4639-0.0245 ( 2841 PWs) bands (ev): -23.6069 -23.6069 -17.7171 -17.7171 -14.3595 -14.3595 -14.3350 -14.3350 -9.1081 -9.1035 -7.3874 -7.3513 -7.1409 -7.1172 -7.0305 -7.0216 -3.2350 -3.2252 -2.4951 -2.4946 -2.1145 -2.1052 1.0780 1.0785 1.5230 1.5236 1.8840 1.8855 2.2827 2.2831 2.7213 2.7227 3.7703 3.7705 5.0856 5.0888 7.7004 7.7045 7.8257 7.8266 11.4951 11.4968 k = 0.5056 0.4649-0.0112 ( 2847 PWs) bands (ev): -23.6068 -23.6068 -17.7161 -17.7161 -14.3590 -14.3590 -14.3352 -14.3352 -9.1205 -9.1149 -7.3880 -7.3436 -7.1437 -7.1151 -7.0325 -7.0209 -3.2275 -3.2154 -2.4945 -2.4939 -2.1163 -2.1048 1.0759 1.0765 1.5176 1.5183 1.8982 1.8999 2.2905 2.2911 2.7231 2.7248 3.7698 3.7701 5.0786 5.0826 7.6957 7.7008 7.8189 7.8200 11.4991 11.5013 k = 0.5067 0.4660 0.0021 ( 2847 PWs) bands (ev): -23.6066 -23.6066 -17.7149 -17.7149 -14.3584 -14.3584 -14.3355 -14.3354 -9.1351 -9.1287 -7.3880 -7.3357 -7.1461 -7.1133 -7.0345 -7.0200 -3.2181 -3.2038 -2.4938 -2.4931 -2.1183 -2.1046 1.0739 1.0746 1.5111 1.5120 1.9150 1.9171 2.2997 2.3005 2.7254 2.7275 3.7693 3.7697 5.0703 5.0751 7.6900 7.6961 7.8107 7.8120 11.5041 11.5066 k = 0.5078 0.4670 0.0154 ( 2852 PWs) bands (ev): -23.6064 -23.6064 -17.7135 -17.7135 -14.3577 -14.3577 -14.3357 -14.3357 -9.1519 -9.1447 -7.3874 -7.3279 -7.1481 -7.1120 -7.0366 -7.0188 -3.2070 -3.1904 -2.4930 -2.4921 -2.1204 -2.1046 1.0719 1.0728 1.5039 1.5049 1.9342 1.9366 2.3102 2.3112 2.7283 2.7306 3.7688 3.7692 5.0608 5.0663 7.6834 7.6904 7.8012 7.8026 11.5098 11.5127 k = 0.5090 0.4680 0.0287 ( 2854 PWs) bands (ev): -23.6062 -23.6062 -17.7120 -17.7120 -14.3570 -14.3569 -14.3360 -14.3359 -9.1706 -9.1627 -7.3863 -7.3205 -7.1495 -7.1112 -7.0387 -7.0172 -3.1941 -3.1754 -2.4920 -2.4910 -2.1227 -2.1049 1.0703 1.0713 1.4959 1.4970 1.9556 1.9582 2.3217 2.3229 2.7317 2.7344 3.7681 3.7686 5.0500 5.0562 7.6759 7.6838 7.7903 7.7920 11.5162 11.5195 k = 0.5101 0.4690 0.0420 ( 2850 PWs) bands (ev): -23.6059 -23.6059 -17.7102 -17.7102 -14.3561 -14.3561 -14.3363 -14.3362 -9.1911 -9.1826 -7.3850 -7.3138 -7.1502 -7.1110 -7.0406 -7.0152 -3.1795 -3.1588 -2.4910 -2.4898 -2.1253 -2.1056 1.0692 1.0703 1.4873 1.4884 1.9788 1.9817 2.3341 2.3355 2.7357 2.7387 3.7675 3.7680 5.0381 5.0450 7.6673 7.6761 7.7782 7.7801 11.5233 11.5270 k = 0.5112 0.4701 0.0553 ( 2850 PWs) bands (ev): -23.6057 -23.6057 -17.7083 -17.7083 -14.3552 -14.3551 -14.3367 -14.3365 -9.2130 -9.2040 -7.3835 -7.3081 -7.1502 -7.1114 -7.0422 -7.0126 -3.1633 -3.1408 -2.4898 -2.4885 -2.1281 -2.1066 1.0688 1.0700 1.4782 1.4794 2.0036 2.0067 2.3471 2.3487 2.7403 2.7437 3.7668 3.7673 5.0252 5.0327 7.6578 7.6675 7.7649 7.7670 11.5309 11.5349 k = 0.5123 0.4711 0.0686 ( 2848 PWs) bands (ev): -23.6054 -23.6054 -17.7063 -17.7063 -14.3542 -14.3541 -14.3370 -14.3368 -9.2363 -9.2270 -7.3819 -7.3037 -7.1494 -7.1124 -7.0434 -7.0095 -3.1457 -3.1214 -2.4886 -2.4871 -2.1311 -2.1079 1.0692 1.0705 1.4688 1.4700 2.0297 2.0331 2.3606 2.3624 2.7457 2.7494 3.7660 3.7666 5.0114 5.0195 7.6473 7.6578 7.7505 7.7528 11.5390 11.5433 k = 0.5134 0.4721 0.0819 ( 2846 PWs) bands (ev): -23.6051 -23.6051 -17.7041 -17.7041 -14.3531 -14.3530 -14.3373 -14.3371 -9.2607 -9.2511 -7.3804 -7.3007 -7.1481 -7.1140 -7.0439 -7.0057 -3.1267 -3.1007 -2.4873 -2.4857 -2.1345 -2.1097 1.0705 1.0720 1.4591 1.4603 2.0569 2.0604 2.3742 2.3763 2.7518 2.7559 3.7652 3.7658 4.9967 5.0054 7.6358 7.6471 7.7351 7.7377 11.5475 11.5520 k = 0.5146 0.4732 0.0952 ( 2844 PWs) bands (ev): -23.6047 -23.6047 -17.7018 -17.7018 -14.3520 -14.3519 -14.3375 -14.3374 -9.2860 -9.2762 -7.3790 -7.2991 -7.1464 -7.1163 -7.0434 -7.0012 -3.1063 -3.0788 -2.4859 -2.4842 -2.1381 -2.1120 1.0729 1.0745 1.4492 1.4505 2.0849 2.0886 2.3879 2.3902 2.7588 2.7632 3.7644 3.7650 4.9813 4.9906 7.6234 7.6354 7.7188 7.7215 11.5562 11.5610 k = 0.5157 0.4742 0.1085 ( 2835 PWs) bands (ev): -23.6044 -23.6044 -17.6994 -17.6994 -14.3509 -14.3508 -14.3377 -14.3376 -9.3120 -9.3021 -7.3778 -7.2988 -7.1448 -7.1190 -7.0418 -6.9963 -3.0848 -3.0558 -2.4845 -2.4826 -2.1421 -2.1146 1.0763 1.0780 1.4392 1.4405 2.1134 2.1173 2.4014 2.4040 2.7666 2.7713 3.7636 3.7642 4.9653 4.9751 7.6101 7.6227 7.7017 7.7046 11.5651 11.5701 k = 0.5168 0.4752 0.1218 ( 2837 PWs) bands (ev): -23.6040 -23.6040 -17.6970 -17.6969 -14.3498 -14.3497 -14.3379 -14.3378 -9.3385 -9.3286 -7.3769 -7.2998 -7.1435 -7.1223 -7.0388 -6.9908 -3.0622 -3.0319 -2.4831 -2.4810 -2.1465 -2.1178 1.0808 1.0827 1.4293 1.4306 2.1422 2.1462 2.4145 2.4174 2.7753 2.7803 3.7627 3.7633 4.9489 4.9591 7.5959 7.6091 7.6838 7.6869 11.5741 11.5793 k = 0.5179 0.4763 0.1351 ( 2839 PWs) bands (ev): -23.6037 -23.6037 -17.6944 -17.6944 -14.3487 -14.3486 -14.3379 -14.3378 -9.3654 -9.3555 -7.3763 -7.3019 -7.1430 -7.1259 -7.0344 -6.9849 -3.0387 -3.0072 -2.4817 -2.4794 -2.1513 -2.1216 1.0865 1.0885 1.4194 1.4207 2.1712 2.1753 2.4272 2.4302 2.7850 2.7901 3.7618 3.7624 4.9320 4.9427 7.5809 7.5946 7.6654 7.6686 11.5831 11.5884 k = 0.5190 0.4773 0.1483 ( 2843 PWs) bands (ev): -23.6033 -23.6033 -17.6919 -17.6918 -14.3477 -14.3475 -14.3379 -14.3378 -9.3923 -9.3826 -7.3760 -7.3048 -7.1434 -7.1299 -7.0286 -6.9787 -3.0143 -2.9818 -2.4802 -2.4778 -2.1565 -2.1258 1.0932 1.0954 1.4097 1.4110 2.2000 2.2042 2.4391 2.4423 2.7956 2.8009 3.7609 3.7614 4.9150 4.9260 7.5651 7.5793 7.6464 7.6498 11.5919 11.5974 k = 0.5202 0.4783 0.1616 ( 2841 PWs) bands (ev): -23.6030 -23.6030 -17.6893 -17.6892 -14.3468 -14.3466 -14.3376 -14.3376 -9.4193 -9.4097 -7.3760 -7.3083 -7.1445 -7.1341 -7.0216 -6.9722 -2.9892 -2.9557 -2.4788 -2.4762 -2.1621 -2.1307 1.1011 1.1034 1.4002 1.4015 2.2285 2.2328 2.4504 2.4537 2.8070 2.8125 3.7599 3.7604 4.8979 4.9092 7.5487 7.5633 7.6271 7.6306 11.6006 11.6061 k = 0.5213 0.4793 0.1749 ( 2838 PWs) bands (ev): -23.6026 -23.6026 -17.6867 -17.6866 -14.3460 -14.3457 -14.3372 -14.3372 -9.4460 -9.4367 -7.3762 -7.3124 -7.1465 -7.1384 -7.0137 -6.9655 -2.9636 -2.9292 -2.4774 -2.4746 -2.1682 -2.1361 1.1100 1.1125 1.3910 1.3922 2.2565 2.2609 2.4608 2.4642 2.8194 2.8249 3.7589 3.7594 4.8809 4.8924 7.5317 7.5466 7.6074 7.6111 11.6090 11.6145 k = 0.5224 0.4804 0.1882 ( 2837 PWs) bands (ev): -23.6022 -23.6022 -17.6841 -17.6840 -14.3453 -14.3450 -14.3367 -14.3366 -9.4724 -9.4633 -7.3768 -7.3168 -7.1490 -7.1429 -7.0051 -6.9587 -2.9374 -2.9022 -2.4761 -2.4730 -2.1747 -2.1421 1.1198 1.1224 1.3821 1.3833 2.2839 2.2882 2.4703 2.4738 2.8324 2.8380 3.7577 3.7582 4.8640 4.8757 7.5143 7.5293 7.5877 7.5913 11.6170 11.6225 k = 0.5235 0.4814 0.2015 ( 2837 PWs) bands (ev): -23.6019 -23.6019 -17.6815 -17.6815 -14.3447 -14.3444 -14.3359 -14.3359 -9.4984 -9.4895 -7.3775 -7.3215 -7.1521 -7.1475 -6.9960 -6.9519 -2.9109 -2.8751 -2.4749 -2.4715 -2.1818 -2.1487 1.1305 1.1332 1.3736 1.3747 2.3103 2.3147 2.4790 2.4825 2.8462 2.8517 3.7565 3.7569 4.8475 4.8593 7.4966 7.5117 7.5679 7.5716 11.6246 11.6301 k = 0.5246 0.4824 0.2148 ( 2837 PWs) bands (ev): -23.6015 -23.6015 -17.6790 -17.6790 -14.3442 -14.3439 -14.3350 -14.3350 -9.5237 -9.5152 -7.3785 -7.3263 -7.1555 -7.1521 -6.9867 -6.9451 -2.8842 -2.8477 -2.4737 -2.4701 -2.1893 -2.1559 1.1419 1.1447 1.3655 1.3665 2.3358 2.3402 2.4867 2.4902 2.8604 2.8659 3.7551 3.7554 4.8314 4.8432 7.4787 7.4938 7.5482 7.5518 11.6317 11.6371 k = 0.5258 0.4835 0.2281 ( 2830 PWs) bands (ev): -23.6011 -23.6011 -17.6766 -17.6766 -14.3438 -14.3435 -14.3340 -14.3339 -9.5482 -9.5400 -7.3796 -7.3312 -7.1591 -7.1566 -6.9774 -6.9384 -2.8573 -2.8204 -2.4726 -2.4687 -2.1973 -2.1637 1.1539 1.1568 1.3578 1.3588 2.3602 2.3645 2.4936 2.4971 2.8751 2.8804 3.7535 3.7537 4.8158 4.8277 7.4608 7.4758 7.5287 7.5323 11.6382 11.6436 k = 0.5269 0.4845 0.2414 ( 2830 PWs) bands (ev): -23.6008 -23.6008 -17.6743 -17.6743 -14.3433 -14.3430 -14.3329 -14.3328 -9.5718 -9.5640 -7.3808 -7.3360 -7.1628 -7.1610 -6.9682 -6.9318 -2.8304 -2.7931 -2.4716 -2.4675 -2.2059 -2.1721 1.1664 1.1694 1.3506 1.3515 2.3833 2.3875 2.4997 2.5031 2.8899 2.8951 3.7517 3.7518 4.8010 4.8127 7.4431 7.4579 7.5096 7.5131 11.6442 11.6495 k = 0.5280 0.4855 0.2547 ( 2835 PWs) bands (ev): -23.6005 -23.6005 -17.6721 -17.6721 -14.3429 -14.3426 -14.3318 -14.3317 -9.5945 -9.5871 -7.3821 -7.3408 -7.1665 -7.1653 -6.9591 -6.9255 -2.8037 -2.7659 -2.4708 -2.4663 -2.2149 -2.1812 1.1792 1.1823 1.3439 1.3447 2.4049 2.4090 2.5049 2.5082 2.9048 2.9097 3.7496 3.7496 4.7869 4.7985 7.4257 7.4402 7.4909 7.4943 11.6496 11.6547 k = 0.5291 0.4866 0.2680 ( 2837 PWs) bands (ev): -23.6002 -23.6002 -17.6700 -17.6700 -14.3424 -14.3421 -14.3306 -14.3306 -9.6161 -9.6091 -7.3835 -7.3455 -7.1702 -7.1694 -6.9504 -6.9193 -2.7772 -2.7391 -2.4701 -2.4652 -2.2245 -2.1908 1.1923 1.1953 1.3378 1.3385 2.4251 2.4291 2.5094 2.5126 2.9196 2.9243 3.7471 3.7471 4.7738 4.7851 7.4088 7.4229 7.4729 7.4761 11.6543 11.6592 k = 0.5302 0.4876 0.2813 ( 2838 PWs) bands (ev): -23.5999 -23.5999 -17.6681 -17.6681 -14.3419 -14.3416 -14.3295 -14.3295 -9.6365 -9.6299 -7.3848 -7.3500 -7.1738 -7.1733 -6.9420 -6.9135 -2.7510 -2.7126 -2.4695 -2.4642 -2.2346 -2.2011 1.2053 1.2083 1.3322 1.3328 2.4437 2.4474 2.5133 2.5163 2.9341 2.9385 3.7442 3.7443 4.7616 4.7726 7.3927 7.4062 7.4556 7.4587 11.6584 11.6631 k = 0.5314 0.4886 0.2946 ( 2841 PWs) bands (ev): -23.5997 -23.5997 -17.6663 -17.6663 -14.3412 -14.3410 -14.3284 -14.3284 -9.6556 -9.6494 -7.3861 -7.3543 -7.1772 -7.1770 -6.9339 -6.9079 -2.7252 -2.6865 -2.4691 -2.4634 -2.2452 -2.2119 1.2181 1.2211 1.3272 1.3277 2.4605 2.4641 2.5164 2.5193 2.9481 2.9523 3.7409 3.7411 4.7505 4.7611 7.3774 7.3904 7.4392 7.4420 11.6619 11.6663 k = 0.5325 0.4896 0.3079 ( 2843 PWs) bands (ev): -23.5994 -23.5994 -17.6647 -17.6647 -14.3405 -14.3403 -14.3274 -14.3273 -9.6733 -9.6676 -7.3872 -7.3584 -7.1805 -7.1804 -6.9263 -6.9027 -2.7000 -2.6610 -2.4689 -2.4627 -2.2564 -2.2234 1.2307 1.2336 1.3228 1.3232 2.4756 2.4790 2.5190 2.5218 2.9616 2.9655 3.7372 3.7374 4.7405 4.7506 7.3633 7.3756 7.4238 7.4264 11.6647 11.6689 k = 0.5336 0.4907 0.3212 ( 2833 PWs) bands (ev): -23.5992 -23.5992 -17.6634 -17.6633 -14.3397 -14.3395 -14.3264 -14.3263 -9.6896 -9.6844 -7.3882 -7.3622 -7.1834 -7.1834 -6.9191 -6.8977 -2.6754 -2.6362 -2.4689 -2.4620 -2.2680 -2.2354 1.2427 1.2456 1.3191 1.3194 2.4889 2.4920 2.5211 2.5237 2.9743 2.9779 3.7330 3.7333 4.7316 4.7412 7.3504 7.3619 7.4096 7.4118 11.6669 11.6709 k = 0.5347 0.4917 0.3345 ( 2825 PWs) bands (ev): -23.5990 -23.5990 -17.6622 -17.6622 -14.3389 -14.3386 -14.3254 -14.3254 -9.7044 -9.6996 -7.3891 -7.3657 -7.1862 -7.1861 -6.9124 -6.8932 -2.6516 -2.6121 -2.4690 -2.4614 -2.2800 -2.2479 1.2541 1.2568 1.3160 1.3162 2.5003 2.5030 2.5228 2.5252 2.9862 2.9894 3.7284 3.7287 4.7240 4.7329 7.3389 7.3496 7.3966 7.3985 11.6686 11.6723 k = 0.5358 0.4927 0.3478 ( 2822 PWs) bands (ev): -23.5989 -23.5989 -17.6612 -17.6612 -14.3379 -14.3377 -14.3246 -14.3245 -9.7177 -9.7134 -7.3897 -7.3689 -7.1887 -7.1885 -6.9061 -6.8890 -2.6286 -2.5889 -2.4693 -2.4610 -2.2925 -2.2610 1.2647 1.2672 1.3138 1.3138 2.5097 2.5119 2.5242 2.5263 2.9971 3.0000 3.7232 3.7236 4.7175 4.7257 7.3290 7.3387 7.3849 7.3865 11.6698 11.6731 k = 0.5358 0.4927 0.3478 ( 2822 PWs) bands (ev): -23.5989 -23.5989 -17.6612 -17.6612 -14.3379 -14.3377 -14.3246 -14.3245 -9.7177 -9.7134 -7.3897 -7.3689 -7.1887 -7.1885 -6.9061 -6.8890 -2.6286 -2.5889 -2.4693 -2.4610 -2.2925 -2.2610 1.2647 1.2672 1.3138 1.3138 2.5097 2.5119 2.5242 2.5263 2.9971 3.0000 3.7232 3.7236 4.7175 4.7257 7.3290 7.3387 7.3849 7.3865 11.6698 11.6731 k = 0.5307 0.4880 0.3589 ( 2827 PWs) bands (ev): -23.5987 -23.5987 -17.6602 -17.6602 -14.3360 -14.3358 -14.3243 -14.3243 -9.7322 -9.7284 -7.3904 -7.3726 -7.1914 -7.1913 -6.8990 -6.8845 -2.6018 -2.5621 -2.4682 -2.4587 -2.3092 -2.2788 1.2748 1.2771 1.3133 1.3134 2.5166 2.5184 2.5284 2.5301 3.0093 3.0118 3.7169 3.7173 4.7107 4.7179 7.3204 7.3288 7.3697 7.3711 11.6708 11.6737 k = 0.5256 0.4833 0.3700 ( 2820 PWs) bands (ev): -23.5985 -23.5985 -17.6594 -17.6593 -14.3345 -14.3343 -14.3240 -14.3240 -9.7445 -9.7414 -7.3907 -7.3760 -7.1936 -7.1936 -6.8927 -6.8808 -2.5765 -2.5368 -2.4671 -2.4563 -2.3258 -2.2968 1.2832 1.2853 1.3132 1.3134 2.5223 2.5237 2.5322 2.5334 3.0199 3.0220 3.7111 3.7115 4.7052 4.7113 7.3126 7.3196 7.3573 7.3583 11.6716 11.6740 k = 0.5205 0.4786 0.3811 ( 2820 PWs) bands (ev): -23.5984 -23.5984 -17.6587 -17.6587 -14.3333 -14.3332 -14.3236 -14.3235 -9.7547 -9.7522 -7.3907 -7.3790 -7.1955 -7.1955 -6.8874 -6.8779 -2.5530 -2.5139 -2.4655 -2.4536 -2.3421 -2.3149 1.2898 1.2916 1.3138 1.3139 2.5270 2.5278 2.5355 2.5362 3.0288 3.0305 3.7061 3.7064 4.7010 4.7060 7.3059 7.3113 7.3474 7.3480 11.6721 11.6741 k = 0.5154 0.4739 0.3922 ( 2814 PWs) bands (ev): -23.5983 -23.5983 -17.6581 -17.6581 -14.3325 -14.3324 -14.3231 -14.3231 -9.7626 -9.7607 -7.3905 -7.3817 -7.1970 -7.1970 -6.8830 -6.8759 -2.5317 -2.4956 -2.4620 -2.4504 -2.3576 -2.3330 1.2945 1.2958 1.3148 1.3150 2.5304 2.5309 2.5383 2.5386 3.0359 3.0371 3.7019 3.7022 4.6979 4.7017 7.3005 7.3044 7.3401 7.3404 11.6726 11.6741 k = 0.5102 0.4692 0.4033 ( 2820 PWs) bands (ev): -23.5983 -23.5983 -17.6577 -17.6577 -14.3319 -14.3318 -14.3227 -14.3227 -9.7682 -9.7669 -7.3899 -7.3841 -7.1981 -7.1981 -6.8795 -6.8748 -2.5135 -2.4860 -2.4536 -2.4464 -2.3711 -2.3507 1.2974 1.2983 1.3162 1.3162 2.5328 2.5330 2.5403 2.5404 3.0410 3.0418 3.6988 3.6990 4.6960 4.6985 7.2965 7.2990 7.3350 7.3351 11.6729 11.6739 k = 0.5051 0.4645 0.4144 ( 2824 PWs) bands (ev): -23.5982 -23.5982 -17.6575 -17.6575 -14.3316 -14.3316 -14.3225 -14.3225 -9.7714 -9.7708 -7.3890 -7.3861 -7.1987 -7.1987 -6.8769 -6.8746 -2.4993 -2.4851 -2.4433 -2.4418 -2.3794 -2.3667 1.2990 1.2994 1.3172 1.3172 2.5342 2.5343 2.5415 2.5416 3.0442 3.0446 3.6969 3.6970 4.6951 4.6964 7.2942 7.2954 7.3319 7.3320 11.6732 11.6737 k = 0.5000 0.4598 0.4255 ( 2824 PWs) bands (ev): -23.5982 -23.5982 -17.6574 -17.6574 -14.3315 -14.3315 -14.3224 -14.3224 -9.7723 -9.7723 -7.3877 -7.3877 -7.1990 -7.1990 -6.8753 -6.8753 -2.4898 -2.4898 -2.4391 -2.4391 -2.3779 -2.3779 1.2996 1.2996 1.3176 1.3176 2.5346 2.5346 2.5420 2.5420 3.0454 3.0454 3.6963 3.6963 4.6952 4.6952 7.2938 7.2938 7.3309 7.3309 11.6735 11.6735 k = 0.5000-0.0420-0.0389 ( 2846 PWs) bands (ev): -23.6170 -23.6170 -17.8247 -17.8247 -14.3588 -14.3588 -14.1221 -14.1221 -9.1002 -9.1002 -7.3652 -7.3652 -7.1294 -7.1294 -6.7992 -6.7992 -3.1238 -3.1238 -3.0046 -3.0046 -1.8951 -1.8951 1.1747 1.1747 1.5034 1.5034 1.7359 1.7359 2.1897 2.1897 2.3253 2.3253 3.4434 3.4434 5.1786 5.1786 7.6259 7.6259 8.5778 8.5778 11.3196 11.3196 k = 0.5015-0.0322-0.0298 ( 2845 PWs) bands (ev): -23.6170 -23.6170 -17.8245 -17.8245 -14.3589 -14.3589 -14.1223 -14.1223 -9.1012 -9.1001 -7.3678 -7.3620 -7.1303 -7.1286 -6.8012 -6.7978 -3.1244 -3.1225 -3.0041 -3.0039 -1.8963 -1.8949 1.1751 1.1753 1.5027 1.5029 1.7363 1.7368 2.1892 2.1895 2.3261 2.3264 3.4436 3.4437 5.1781 5.1787 7.6252 7.6260 8.5768 8.5769 11.3197 11.3200 k = 0.5031-0.0224-0.0208 ( 2839 PWs) bands (ev): -23.6169 -23.6169 -17.8240 -17.8240 -14.3591 -14.3590 -14.1229 -14.1229 -9.1031 -9.1011 -7.3701 -7.3584 -7.1312 -7.1279 -6.8040 -6.7971 -3.1241 -3.1204 -3.0025 -3.0022 -1.8985 -1.8956 1.1766 1.1771 1.5007 1.5012 1.7380 1.7391 2.1881 2.1887 2.3288 2.3294 3.4443 3.4445 5.1772 5.1783 7.6240 7.6255 8.5739 8.5741 11.3202 11.3206 k = 0.5046-0.0126-0.0117 ( 2842 PWs) bands (ev): -23.6168 -23.6168 -17.8232 -17.8232 -14.3594 -14.3593 -14.1239 -14.1239 -9.1061 -9.1030 -7.3718 -7.3544 -7.1322 -7.1272 -6.8074 -6.7971 -3.1230 -3.1174 -2.9998 -2.9993 -1.9016 -1.8973 1.1791 1.1799 1.4975 1.4982 1.7411 1.7427 2.1864 2.1872 2.3334 2.3342 3.4454 3.4459 5.1758 5.1774 7.6223 7.6245 8.5691 8.5695 11.3210 11.3217 k = 0.5061-0.0029-0.0026 ( 2845 PWs) bands (ev): -23.6167 -23.6167 -17.8220 -17.8220 -14.3598 -14.3597 -14.1254 -14.1254 -9.1100 -9.1059 -7.3732 -7.3500 -7.1333 -7.1266 -6.8115 -6.7977 -3.1211 -3.1137 -2.9960 -2.9954 -1.9057 -1.8999 1.1826 1.1836 1.4932 1.4941 1.7454 1.7476 2.1841 2.1852 2.3398 2.3408 3.4471 3.4476 5.1739 5.1760 7.6200 7.6230 8.5625 8.5629 11.3223 11.3232 k = 0.5076 0.0069 0.0064 ( 2851 PWs) bands (ev): -23.6165 -23.6165 -17.8205 -17.8205 -14.3603 -14.3602 -14.1272 -14.1272 -9.1148 -9.1098 -7.3741 -7.3453 -7.1343 -7.1260 -6.8162 -6.7990 -3.1184 -3.1092 -2.9911 -2.9903 -1.9106 -1.9034 1.1870 1.1883 1.4880 1.4890 1.7511 1.7537 2.1814 2.1828 2.3479 2.3492 3.4492 3.4499 5.1715 5.1742 7.6172 7.6209 8.5539 8.5544 11.3240 11.3251 k = 0.5092 0.0167 0.0155 ( 2845 PWs) bands (ev): -23.6163 -23.6163 -17.8186 -17.8186 -14.3609 -14.3608 -14.1294 -14.1294 -9.1206 -9.1147 -7.3746 -7.3402 -7.1354 -7.1255 -6.8215 -6.8010 -3.1150 -3.1040 -2.9852 -2.9843 -1.9164 -1.9077 1.1922 1.1937 1.4818 1.4829 1.7581 1.7610 2.1784 2.1801 2.3576 2.3591 3.4517 3.4526 5.1686 5.1718 7.6139 7.6184 8.5435 8.5442 11.3262 11.3275 k = 0.5107 0.0265 0.0245 ( 2843 PWs) bands (ev): -23.6161 -23.6161 -17.8165 -17.8164 -14.3616 -14.3615 -14.1321 -14.1320 -9.1272 -9.1205 -7.3747 -7.3348 -7.1364 -7.1251 -6.8274 -6.8035 -3.1109 -3.0980 -2.9782 -2.9771 -1.9229 -1.9127 1.1980 1.1997 1.4749 1.4761 1.7663 1.7696 2.1753 2.1772 2.3688 2.3705 3.4548 3.4558 5.1652 5.1689 7.6101 7.6153 8.5313 8.5321 11.3289 11.3305 k = 0.5122 0.0363 0.0336 ( 2843 PWs) bands (ev): -23.6158 -23.6158 -17.8140 -17.8140 -14.3624 -14.3623 -14.1350 -14.1350 -9.1348 -9.1272 -7.3745 -7.3292 -7.1374 -7.1247 -6.8339 -6.8066 -3.1061 -3.0914 -2.9703 -2.9690 -1.9301 -1.9185 1.2043 1.2062 1.4674 1.4686 1.7757 1.7793 2.1723 2.1744 2.3814 2.3833 3.4582 3.4594 5.1613 5.1655 7.6059 7.6118 8.5173 8.5182 11.3322 11.3340 k = 0.5137 0.0461 0.0426 ( 2844 PWs) bands (ev): -23.6155 -23.6155 -17.8112 -17.8112 -14.3633 -14.3631 -14.1384 -14.1384 -9.1432 -9.1349 -7.3739 -7.3235 -7.1383 -7.1243 -6.8409 -6.8102 -3.1006 -3.0841 -2.9613 -2.9599 -1.9379 -1.9248 1.2109 1.2130 1.4593 1.4605 1.7863 1.7901 2.1694 2.1718 2.3952 2.3973 3.4620 3.4633 5.1567 5.1614 7.6012 7.6078 8.5016 8.5025 11.3361 11.3381 k = 0.5153 0.0558 0.0517 ( 2841 PWs) bands (ev): -23.6152 -23.6152 -17.8082 -17.8081 -14.3642 -14.3640 -14.1421 -14.1421 -9.1525 -9.1435 -7.3731 -7.3177 -7.1391 -7.1239 -6.8484 -6.8144 -3.0946 -3.0763 -2.9515 -2.9499 -1.9463 -1.9317 1.2177 1.2200 1.4509 1.4520 1.7981 1.8020 2.1671 2.1697 2.4101 2.4124 3.4662 3.4677 5.1516 5.1568 7.5961 7.6034 8.4841 8.4851 11.3406 11.3428 k = 0.5168 0.0656 0.0607 ( 2833 PWs) bands (ev): -23.6149 -23.6149 -17.8048 -17.8048 -14.3651 -14.3650 -14.1461 -14.1461 -9.1626 -9.1530 -7.3720 -7.3119 -7.1397 -7.1236 -6.8564 -6.8190 -3.0879 -3.0679 -2.9407 -2.9390 -1.9551 -1.9389 1.2244 1.2269 1.4421 1.4433 1.8110 1.8151 2.1654 2.1682 2.4260 2.4284 3.4708 3.4724 5.1459 5.1516 7.5906 7.5986 8.4649 8.4661 11.3458 11.3481 k = 0.5183 0.0754 0.0698 ( 2833 PWs) bands (ev): -23.6145 -23.6145 -17.8012 -17.8012 -14.3661 -14.3659 -14.1504 -14.1504 -9.1735 -9.1633 -7.3708 -7.3062 -7.1401 -7.1233 -6.8647 -6.8240 -3.0808 -3.0590 -2.9291 -2.9273 -1.9642 -1.9466 1.2309 1.2335 1.4332 1.4343 1.8249 1.8292 2.1645 2.1675 2.4428 2.4453 3.4758 3.4775 5.1395 5.1456 7.5847 7.5933 8.4442 8.4454 11.3516 11.3541 k = 0.5198 0.0852 0.0788 ( 2831 PWs) bands (ev): -23.6141 -23.6141 -17.7974 -17.7974 -14.3671 -14.3669 -14.1550 -14.1550 -9.1852 -9.1745 -7.3694 -7.3008 -7.1401 -7.1229 -6.8734 -6.8294 -3.0731 -3.0496 -2.9167 -2.9147 -1.9737 -1.9546 1.2370 1.2398 1.4242 1.4252 1.8400 1.8443 2.1646 2.1678 2.4602 2.4629 3.4811 3.4829 5.1325 5.1390 7.5784 7.5877 8.4218 8.4231 11.3581 11.3607 k = 0.5214 0.0950 0.0879 ( 2839 PWs) bands (ev): -23.6136 -23.6136 -17.7934 -17.7933 -14.3681 -14.3679 -14.1599 -14.1599 -9.1976 -9.1865 -7.3679 -7.2957 -7.1399 -7.1226 -6.8824 -6.8351 -3.0649 -3.0398 -2.9035 -2.9015 -1.9834 -1.9627 1.2426 1.2455 1.4152 1.4161 1.8560 1.8605 2.1660 2.1693 2.4783 2.4811 3.4867 3.4887 5.1248 5.1318 7.5718 7.5818 8.3979 8.3992 11.3652 11.3680 k = 0.5229 0.1048 0.0970 ( 2839 PWs) bands (ev): -23.6132 -23.6132 -17.7891 -17.7891 -14.3691 -14.3689 -14.1651 -14.1651 -9.2107 -9.1993 -7.3664 -7.2911 -7.1392 -7.1223 -6.8916 -6.8411 -3.0564 -3.0296 -2.8897 -2.8875 -1.9932 -1.9711 1.2475 1.2505 1.4062 1.4071 1.8731 1.8776 2.1687 2.1721 2.4969 2.4998 3.4927 3.4948 5.1164 5.1238 7.5650 7.5755 8.3725 8.3739 11.3730 11.3759 k = 0.5244 0.1145 0.1060 ( 2835 PWs) bands (ev): -23.6127 -23.6127 -17.7846 -17.7846 -14.3700 -14.3698 -14.1705 -14.1704 -9.2245 -9.2128 -7.3649 -7.2871 -7.1381 -7.1220 -6.9010 -6.8472 -3.0474 -3.0191 -2.8752 -2.8729 -2.0030 -1.9795 1.2517 1.2548 1.3975 1.3983 1.8911 1.8957 2.1728 2.1763 2.5159 2.5189 3.4990 3.5012 5.1073 5.1151 7.5578 7.5690 8.3457 8.3472 11.3814 11.3844 k = 0.5259 0.1243 0.1151 ( 2837 PWs) bands (ev): -23.6122 -23.6122 -17.7800 -17.7800 -14.3709 -14.3707 -14.1760 -14.1760 -9.2390 -9.2270 -7.3635 -7.2837 -7.1365 -7.1218 -6.9104 -6.8535 -3.0380 -3.0083 -2.8601 -2.8577 -2.0129 -1.9880 1.2551 1.2582 1.3889 1.3897 1.9101 1.9147 2.1784 2.1820 2.5352 2.5383 3.5056 3.5079 5.0975 5.1057 7.5504 7.5621 8.3176 8.3192 11.3905 11.3936 k = 0.5275 0.1341 0.1241 ( 2834 PWs) bands (ev): -23.6117 -23.6117 -17.7752 -17.7752 -14.3717 -14.3715 -14.1818 -14.1818 -9.2540 -9.2419 -7.3622 -7.2811 -7.1344 -7.1216 -6.9197 -6.8598 -3.0283 -2.9971 -2.8446 -2.8421 -2.0228 -1.9965 1.2576 1.2608 1.3806 1.3814 1.9299 1.9346 2.1855 2.1892 2.5547 2.5579 3.5125 3.5149 5.0870 5.0956 7.5427 7.5550 8.2882 8.2899 11.4000 11.4033 k = 0.5290 0.1439 0.1332 ( 2832 PWs) bands (ev): -23.6112 -23.6112 -17.7703 -17.7702 -14.3725 -14.3722 -14.1878 -14.1877 -9.2696 -9.2574 -7.3610 -7.2793 -7.1319 -7.1215 -6.9289 -6.8660 -3.0182 -2.9857 -2.8285 -2.8260 -2.0326 -2.0050 1.2593 1.2625 1.3727 1.3734 1.9506 1.9553 2.1942 2.1978 2.5743 2.5776 3.5198 3.5223 5.0759 5.0848 7.5348 7.5476 8.2577 8.2593 11.4102 11.4135 k = 0.5305 0.1537 0.1422 ( 2828 PWs) bands (ev): -23.6106 -23.6106 -17.7652 -17.7652 -14.3731 -14.3729 -14.1938 -14.1938 -9.2857 -9.2735 -7.3600 -7.2783 -7.1290 -7.1215 -6.9378 -6.8722 -3.0078 -2.9740 -2.8122 -2.8095 -2.0423 -2.0135 1.2602 1.2634 1.3651 1.3657 1.9721 1.9768 2.2043 2.2079 2.5940 2.5974 3.5274 3.5299 5.0641 5.0734 7.5267 7.5400 8.2260 8.2277 11.4208 11.4242 k = 0.5320 0.1634 0.1513 ( 2829 PWs) bands (ev): -23.6101 -23.6101 -17.7601 -17.7600 -14.3737 -14.3734 -14.2000 -14.2000 -9.3023 -9.2901 -7.3592 -7.2781 -7.1260 -7.1216 -6.9463 -6.8782 -2.9970 -2.9620 -2.7955 -2.7927 -2.0519 -2.0219 1.2603 1.2635 1.3579 1.3585 1.9942 1.9990 2.2157 2.2193 2.6136 2.6172 3.5353 3.5379 5.0517 5.0612 7.5185 7.5322 8.1933 8.1951 11.4318 11.4353 k = 0.5336 0.1732 0.1603 ( 2829 PWs) bands (ev): -23.6095 -23.6095 -17.7549 -17.7548 -14.3741 -14.3738 -14.2063 -14.2063 -9.3193 -9.3072 -7.3586 -7.2786 -7.1230 -7.1219 -6.9543 -6.8839 -2.9859 -2.9499 -2.7786 -2.7757 -2.0613 -2.0303 1.2598 1.2629 1.3512 1.3517 2.0171 2.0219 2.2284 2.2320 2.6332 2.6368 3.5435 3.5462 5.0387 5.0485 7.5100 7.5242 8.1597 8.1615 11.4432 11.4469 k = 0.5351 0.1830 0.1694 ( 2832 PWs) bands (ev): -23.6089 -23.6089 -17.7496 -17.7496 -14.3744 -14.3741 -14.2127 -14.2127 -9.3367 -9.3247 -7.3583 -7.2799 -7.1224 -7.1202 -6.9615 -6.8893 -2.9745 -2.9375 -2.7615 -2.7586 -2.0706 -2.0386 1.2587 1.2618 1.3448 1.3453 2.0405 2.0454 2.2422 2.2457 2.6527 2.6564 3.5521 3.5547 5.0251 5.0352 7.5014 7.5160 8.1252 8.1270 11.4550 11.4587 k = 0.5366 0.1928 0.1784 ( 2835 PWs) bands (ev): -23.6084 -23.6084 -17.7443 -17.7443 -14.3745 -14.3742 -14.2191 -14.2191 -9.3544 -9.3425 -7.3583 -7.2817 -7.1232 -7.1178 -6.9678 -6.8942 -2.9628 -2.9249 -2.7443 -2.7413 -2.0798 -2.0469 1.2571 1.2602 1.3390 1.3394 2.0644 2.0693 2.2568 2.2603 2.6719 2.6757 3.5609 3.5636 5.0110 5.0213 7.4927 7.5076 8.0900 8.0918 11.4671 11.4709 k = 0.5381 0.2026 0.1875 ( 2837 PWs) bands (ev): -23.6078 -23.6078 -17.7390 -17.7390 -14.3745 -14.3742 -14.2255 -14.2255 -9.3724 -9.3607 -7.3585 -7.2842 -7.1244 -7.1161 -6.9729 -6.8987 -2.9508 -2.9120 -2.7271 -2.7240 -2.0889 -2.0551 1.2552 1.2582 1.3336 1.3340 2.0888 2.0938 2.2722 2.2756 2.6910 2.6948 3.5701 3.5728 4.9964 5.0070 7.4839 7.4991 8.0542 8.0560 11.4794 11.4833 k = 0.5397 0.2124 0.1965 ( 2839 PWs) bands (ev): -23.6072 -23.6072 -17.7338 -17.7337 -14.3743 -14.3740 -14.2319 -14.2319 -9.3906 -9.3792 -7.3589 -7.2871 -7.1258 -7.1152 -6.9768 -6.9027 -2.9384 -2.8989 -2.7100 -2.7068 -2.0979 -2.0633 1.2530 1.2561 1.3287 1.3291 2.1136 2.1185 2.2882 2.2915 2.7097 2.7136 3.5796 3.5822 4.9814 4.9922 7.4750 7.4904 8.0179 8.0197 11.4918 11.4958 k = 0.5412 0.2221 0.2056 ( 2837 PWs) bands (ev): -23.6067 -23.6067 -17.7285 -17.7285 -14.3739 -14.3736 -14.2382 -14.2382 -9.4090 -9.3978 -7.3596 -7.2905 -7.1275 -7.1153 -6.9793 -6.9061 -2.9256 -2.8856 -2.6929 -2.6896 -2.1068 -2.0716 1.2508 1.2538 1.3242 1.3246 2.1386 2.1436 2.3045 2.3077 2.7282 2.7321 3.5892 3.5918 4.9661 4.9771 7.4660 7.4816 7.9812 7.9829 11.5044 11.5085 k = 0.5427 0.2319 0.2147 ( 2843 PWs) bands (ev): -23.6061 -23.6061 -17.7234 -17.7233 -14.3734 -14.3731 -14.2446 -14.2445 -9.4275 -9.4166 -7.3606 -7.2942 -7.1297 -7.1165 -6.9805 -6.9089 -2.9126 -2.8720 -2.6761 -2.6727 -2.1156 -2.0798 1.2485 1.2515 1.3203 1.3206 2.1638 2.1688 2.3210 2.3241 2.7463 2.7503 3.5992 3.6017 4.9505 4.9616 7.4570 7.4727 7.9442 7.9459 11.5170 11.5211 k = 0.5442 0.2417 0.2237 ( 2843 PWs) bands (ev): -23.6055 -23.6055 -17.7183 -17.7182 -14.3727 -14.3724 -14.2508 -14.2508 -9.4461 -9.4354 -7.3618 -7.2982 -7.1322 -7.1188 -6.9802 -6.9112 -2.8992 -2.8582 -2.6595 -2.6560 -2.1244 -2.0882 1.2463 1.2493 1.3168 1.3171 2.1891 2.1941 2.3375 2.3406 2.7640 2.7681 3.6093 3.6117 4.9347 4.9460 7.4479 7.4638 7.9071 7.9087 11.5295 11.5337 k = 0.5458 0.2515 0.2328 ( 2842 PWs) bands (ev): -23.6050 -23.6050 -17.7133 -17.7133 -14.3718 -14.3715 -14.2569 -14.2569 -9.4646 -9.4543 -7.3631 -7.3024 -7.1350 -7.1219 -6.9788 -6.9128 -2.8855 -2.8442 -2.6432 -2.6396 -2.1331 -2.0966 1.2443 1.2472 1.3137 1.3141 2.2144 2.2193 2.3539 2.3568 2.7813 2.7855 3.6195 3.6219 4.9189 4.9302 7.4389 7.4548 7.8699 7.8716 11.5420 11.5462 k = 0.5473 0.2613 0.2418 ( 2840 PWs) bands (ev): -23.6044 -23.6044 -17.7084 -17.7084 -14.3707 -14.3704 -14.2629 -14.2629 -9.4831 -9.4731 -7.3646 -7.3069 -7.1381 -7.1258 -6.9764 -6.9140 -2.8715 -2.8299 -2.6274 -2.6236 -2.1419 -2.1050 1.2425 1.2455 1.3111 1.3115 2.2395 2.2444 2.3699 2.3728 2.7982 2.8024 3.6298 3.6320 4.9029 4.9144 7.4299 7.4459 7.8330 7.8345 11.5542 11.5585 k = 0.5488 0.2711 0.2509 ( 2843 PWs) bands (ev): -23.6039 -23.6039 -17.7037 -17.7037 -14.3694 -14.3692 -14.2687 -14.2687 -9.5014 -9.4918 -7.3663 -7.3114 -7.1414 -7.1302 -6.9733 -6.9146 -2.8572 -2.8154 -2.6120 -2.6081 -2.1507 -2.1137 1.2410 1.2440 1.3090 1.3093 2.2643 2.2692 2.3855 2.3883 2.8147 2.8189 3.6401 3.6422 4.8871 4.8986 7.4210 7.4369 7.7962 7.7977 11.5662 11.5706 k = 0.5503 0.2808 0.2599 ( 2843 PWs) bands (ev): -23.6034 -23.6034 -17.6992 -17.6991 -14.3680 -14.3677 -14.2744 -14.2744 -9.5196 -9.5103 -7.3681 -7.3161 -7.1450 -7.1350 -6.9695 -6.9147 -2.8426 -2.8006 -2.5970 -2.5930 -2.1595 -2.1224 1.2398 1.2428 1.3073 1.3076 2.2888 2.2936 2.4005 2.4032 2.8307 2.8349 3.6504 3.6523 4.8714 4.8829 7.4123 7.4281 7.7599 7.7613 11.5779 11.5823 k = 0.5519 0.2906 0.2690 ( 2841 PWs) bands (ev): -23.6029 -23.6029 -17.6948 -17.6948 -14.3664 -14.3662 -14.2799 -14.2799 -9.5374 -9.5285 -7.3700 -7.3207 -7.1487 -7.1400 -6.9653 -6.9144 -2.8277 -2.7857 -2.5827 -2.5785 -2.1684 -2.1313 1.2391 1.2420 1.3059 1.3062 2.3127 2.3175 2.4148 2.4175 2.8462 2.8505 3.6604 3.6622 4.8559 4.8674 7.4037 7.4193 7.7242 7.7255 11.5891 11.5935 k = 0.5534 0.3004 0.2780 ( 2843 PWs) bands (ev): -23.6024 -23.6024 -17.6906 -17.6906 -14.3647 -14.3644 -14.2851 -14.2851 -9.5550 -9.5465 -7.3719 -7.3254 -7.1525 -7.1450 -6.9608 -6.9137 -2.8126 -2.7706 -2.5690 -2.5647 -2.1774 -2.1403 1.2387 1.2417 1.3049 1.3053 2.3360 2.3408 2.4284 2.4309 2.8613 2.8655 3.6702 3.6718 4.8408 4.8523 7.3953 7.4107 7.6892 7.6904 11.5998 11.6043 k = 0.5549 0.3102 0.2871 ( 2839 PWs) bands (ev): -23.6020 -23.6020 -17.6867 -17.6867 -14.3628 -14.3625 -14.2902 -14.2902 -9.5722 -9.5640 -7.3739 -7.3300 -7.1563 -7.1500 -6.9561 -6.9126 -2.7973 -2.7554 -2.5560 -2.5514 -2.1864 -2.1495 1.2387 1.2417 1.3043 1.3046 2.3586 2.3632 2.4410 2.4435 2.8758 2.8801 3.6796 3.6810 4.8261 4.8375 7.3872 7.4024 7.6552 7.6562 11.6100 11.6144 k = 0.5564 0.3200 0.2961 ( 2839 PWs) bands (ev): -23.6016 -23.6016 -17.6830 -17.6829 -14.3608 -14.3605 -14.2949 -14.2949 -9.5889 -9.5811 -7.3759 -7.3346 -7.1601 -7.1549 -6.9514 -6.9113 -2.7818 -2.7400 -2.5437 -2.5389 -2.1956 -2.1589 1.2392 1.2422 1.3040 1.3043 2.3803 2.3848 2.4527 2.4552 2.8898 2.8941 3.6885 3.6897 4.8119 4.8233 7.3794 7.3943 7.6221 7.6230 11.6194 11.6239 k = 0.5580 0.3297 0.3052 ( 2837 PWs) bands (ev): -23.6011 -23.6011 -17.6795 -17.6795 -14.3587 -14.3584 -14.2994 -14.2994 -9.6051 -9.5977 -7.3778 -7.3390 -7.1638 -7.1596 -6.9465 -6.9097 -2.7662 -2.7245 -2.5322 -2.5272 -2.2049 -2.1685 1.2401 1.2430 1.3041 1.3043 2.4009 2.4053 2.4635 2.4659 2.9033 2.9075 3.6968 3.6978 4.7984 4.8096 7.3720 7.3866 7.5903 7.5910 11.6282 11.6326 k = 0.5595 0.3395 0.3142 ( 2832 PWs) bands (ev): -23.6008 -23.6008 -17.6763 -17.6763 -14.3564 -14.3562 -14.3037 -14.3036 -9.6207 -9.6137 -7.3797 -7.3433 -7.1675 -7.1641 -6.9417 -6.9079 -2.7505 -2.7090 -2.5215 -2.5162 -2.2143 -2.1782 1.2414 1.2443 1.3044 1.3046 2.4204 2.4246 2.4732 2.4755 2.9163 2.9204 3.7043 3.7051 4.7856 4.7967 7.3650 7.3792 7.5599 7.5604 11.6363 11.6406 k = 0.5610 0.3493 0.3233 ( 2832 PWs) bands (ev): -23.6004 -23.6004 -17.6734 -17.6733 -14.3541 -14.3539 -14.3076 -14.3076 -9.6357 -9.6290 -7.3815 -7.3473 -7.1710 -7.1683 -6.9370 -6.9059 -2.7348 -2.6934 -2.5116 -2.5061 -2.2238 -2.1881 1.2431 1.2460 1.3049 1.3051 2.4386 2.4426 2.4818 2.4841 2.9287 2.9327 3.7109 3.7115 4.7736 4.7844 7.3585 7.3723 7.5310 7.5313 11.6435 11.6478 k = 0.5625 0.3591 0.3324 ( 2831 PWs) bands (ev): -23.6001 -23.6001 -17.6707 -17.6707 -14.3518 -14.3515 -14.3111 -14.3111 -9.6500 -9.6437 -7.3832 -7.3512 -7.1743 -7.1722 -6.9323 -6.9038 -2.7191 -2.6779 -2.5027 -2.4969 -2.2334 -2.1981 1.2451 1.2481 1.3057 1.3059 2.4554 2.4591 2.4894 2.4916 2.9405 2.9444 3.7165 3.7170 4.7625 4.7731 7.3526 7.3659 7.5039 7.5039 11.6498 11.6541 k = 0.5641 0.3689 0.3414 ( 2834 PWs) bands (ev): -23.5998 -23.5998 -17.6684 -17.6683 -14.3493 -14.3491 -14.3144 -14.3144 -9.6635 -9.6575 -7.3848 -7.3549 -7.1773 -7.1758 -6.9277 -6.9015 -2.7034 -2.6625 -2.4947 -2.4885 -2.2431 -2.2083 1.2476 1.2505 1.3067 1.3068 2.4708 2.4741 2.4960 2.4980 2.9516 2.9554 3.7210 3.7213 4.7523 4.7626 7.3472 7.3600 7.4783 7.4786 11.6553 11.6595 k = 0.5656 0.3787 0.3505 ( 2838 PWs) bands (ev): -23.5996 -23.5996 -17.6663 -17.6663 -14.3469 -14.3467 -14.3173 -14.3173 -9.6762 -9.6706 -7.3862 -7.3583 -7.1802 -7.1791 -6.9232 -6.8992 -2.6880 -2.6472 -2.4876 -2.4811 -2.2528 -2.2186 1.2504 1.2533 1.3078 1.3080 2.4844 2.4872 2.5017 2.5034 2.9621 2.9658 3.7243 3.7244 4.7431 4.7531 7.3424 7.3547 7.4548 7.4553 11.6600 11.6640 k = 0.5671 0.3884 0.3595 ( 2837 PWs) bands (ev): -23.5993 -23.5993 -17.6646 -17.6645 -14.3445 -14.3443 -14.3198 -14.3198 -9.6880 -9.6827 -7.3874 -7.3614 -7.1827 -7.1820 -6.9188 -6.8967 -2.6727 -2.6322 -2.4815 -2.4746 -2.2627 -2.2291 1.2535 1.2563 1.3091 1.3093 2.4962 2.4980 2.5070 2.5080 2.9720 2.9755 3.7262 3.7263 4.7351 4.7447 7.3382 7.3499 7.4335 7.4343 11.6637 11.6675 k = 0.5686 0.3982 0.3686 ( 2835 PWs) bands (ev): -23.5991 -23.5991 -17.6631 -17.6631 -14.3422 -14.3419 -14.3219 -14.3218 -9.6989 -9.6939 -7.3884 -7.3642 -7.1850 -7.1845 -6.9145 -6.8942 -2.6576 -2.6174 -2.4765 -2.4691 -2.2726 -2.2397 1.2570 1.2597 1.3106 1.3107 2.5049 2.5053 2.5124 2.5132 2.9811 2.9844 3.7267 3.7268 4.7281 4.7373 7.3346 7.3458 7.4146 7.4157 11.6666 11.6703 k = 0.5702 0.4080 0.3776 ( 2829 PWs) bands (ev): -23.5990 -23.5990 -17.6620 -17.6620 -14.3399 -14.3397 -14.3235 -14.3235 -9.7088 -9.7042 -7.3892 -7.3667 -7.1870 -7.1867 -6.9102 -6.8916 -2.6429 -2.6029 -2.4724 -2.4646 -2.2826 -2.2503 1.2607 1.2633 1.3121 1.3122 2.5083 2.5102 2.5181 2.5202 2.9895 2.9926 3.7257 3.7259 4.7222 4.7309 7.3316 7.3421 7.3983 7.3997 11.6686 11.6721 k = 0.5717 0.4178 0.3867 ( 2822 PWs) bands (ev): -23.5989 -23.5989 -17.6612 -17.6612 -14.3378 -14.3376 -14.3246 -14.3246 -9.7177 -9.7134 -7.3897 -7.3689 -7.1887 -7.1885 -6.9061 -6.8890 -2.6286 -2.5888 -2.4694 -2.4610 -2.2925 -2.2610 1.2646 1.2672 1.3138 1.3138 2.5098 2.5120 2.5241 2.5262 2.9971 3.0000 3.7232 3.7236 4.7175 4.7257 7.3290 7.3388 7.3849 7.3865 11.6698 11.6731 Writing output data file KClO3.save init_run : 2.25s CPU 12.45s WALL ( 1 calls) electrons : 304.28s CPU 308.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.71s CPU 2.03s WALL ( 1 calls) Called by electrons: c_bands : 304.24s CPU 308.42s WALL ( 1 calls) v_of_rho : 0.25s CPU 0.75s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.22s CPU 0.59s WALL ( 1 calls) newd : 0.30s CPU 0.64s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 302 calls) cegterg : 283.63s CPU 285.82s WALL ( 555 calls) Called by sum_band: Called by *egterg: h_psi : 116.74s CPU 122.49s WALL ( 10496 calls) s_psi : 13.60s CPU 13.97s WALL ( 10496 calls) g_psi : 0.28s CPU 0.35s WALL ( 9639 calls) cdiaghg : 111.24s CPU 108.81s WALL ( 9941 calls) cegterg:over : 26.03s CPU 23.98s WALL ( 9639 calls) cegterg:upda : 3.34s CPU 5.36s WALL ( 9639 calls) cegterg:last : 3.83s CPU 4.48s WALL ( 1763 calls) Called by h_psi: h_psi:vloc : 88.73s CPU 93.63s WALL ( 10496 calls) h_psi:vnl : 27.88s CPU 28.45s WALL ( 10496 calls) add_vuspsi : 8.19s CPU 10.61s WALL ( 10496 calls) General routines calbec : 19.66s CPU 17.77s WALL ( 10496 calls) fft : 0.62s CPU 1.77s WALL ( 19 calls) ffts : 0.02s CPU 0.57s WALL ( 4 calls) fftw : 84.70s CPU 88.71s WALL ( 845808 calls) interpolate : 0.30s CPU 0.86s WALL ( 4 calls) davcio : 0.02s CPU 0.70s WALL ( 604 calls) Parallel routines fft_scatter : 58.96s CPU 62.45s WALL ( 845831 calls) PWSCF : 5m43.46s CPU 6m52.98s WALL This run was terminated on: 22:18:25 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=