Program PWSCF v.5.1.1 starts on 12Oct2015 at 4: 8:33 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: ./BPO4.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 39 22 6 872 378 59 Max 40 23 7 874 395 63 Sum 1889 1091 319 41913 18443 2927 bravais-lattice index = 14 lattice parameter (alat) = 8.5489 a.u. unit-cell volume = 423.0116 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.548914 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.538825 celldm(5)= -0.538825 celldm(6)= 0.077651 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.077651 0.996981 0.000000 ) a(3) = ( -0.538825 -0.498490 0.679098 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.077886 0.736270 ) b(2) = ( 0.000000 1.003029 0.736270 ) b(3) = ( 0.000000 0.000000 1.472541 ) 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 B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) B 3.00 10.81100 B( 1.00) P 5.00 30.97380 P( 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= 380 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 2) = ( 0.0000000 0.0000000 0.0141590), wk = 0.0026316 k( 3) = ( 0.0000000 0.0000000 0.0283181), wk = 0.0026316 k( 4) = ( 0.0000000 0.0000000 0.0424771), wk = 0.0026316 k( 5) = ( 0.0000000 0.0000000 0.0566362), wk = 0.0026316 k( 6) = ( 0.0000000 0.0000000 0.0707952), wk = 0.0026316 k( 7) = ( 0.0000000 0.0000000 0.0849543), wk = 0.0026316 k( 8) = ( 0.0000000 0.0000000 0.0991133), wk = 0.0026316 k( 9) = ( 0.0000000 0.0000000 0.1132724), wk = 0.0026316 k( 10) = ( 0.0000000 0.0000000 0.1274314), wk = 0.0026316 k( 11) = ( 0.0000000 0.0000000 0.1415905), wk = 0.0026316 k( 12) = ( 0.0000000 0.0000000 0.1557495), wk = 0.0026316 k( 13) = ( 0.0000000 0.0000000 0.1699086), wk = 0.0026316 k( 14) = ( 0.0000000 0.0000000 0.1840676), wk = 0.0026316 k( 15) = ( 0.0000000 0.0000000 0.1982266), wk = 0.0026316 k( 16) = ( 0.0000000 0.0000000 0.2123857), wk = 0.0026316 k( 17) = ( 0.0000000 0.0000000 0.2265447), wk = 0.0026316 k( 18) = ( 0.0000000 0.0000000 0.2407038), wk = 0.0026316 k( 19) = ( 0.0000000 0.0000000 0.2548628), wk = 0.0026316 k( 20) = ( 0.0000000 0.0000000 0.2690219), wk = 0.0026316 k( 21) = ( 0.0000000 0.0000000 0.2831809), wk = 0.0026316 k( 22) = ( 0.0000000 0.0000000 0.2973400), wk = 0.0026316 k( 23) = ( 0.0000000 0.0000000 0.3114990), wk = 0.0026316 k( 24) = ( 0.0000000 0.0000000 0.3256581), wk = 0.0026316 k( 25) = ( 0.0000000 0.0000000 0.3398171), wk = 0.0026316 k( 26) = ( 0.0000000 0.0000000 0.3539762), wk = 0.0026316 k( 27) = ( 0.0000000 0.0000000 0.3681352), wk = 0.0026316 k( 28) = ( 0.0000000 0.0000000 0.3822942), wk = 0.0026316 k( 29) = ( 0.0000000 0.0000000 0.3964533), wk = 0.0026316 k( 30) = ( 0.0000000 0.0000000 0.4106123), wk = 0.0026316 k( 31) = ( 0.0000000 0.0000000 0.4247714), wk = 0.0026316 k( 32) = ( 0.0000000 0.0000000 0.4389304), wk = 0.0026316 k( 33) = ( 0.0000000 0.0000000 0.4530895), wk = 0.0026316 k( 34) = ( 0.0000000 0.0000000 0.4672485), wk = 0.0026316 k( 35) = ( 0.0000000 0.0000000 0.4814076), wk = 0.0026316 k( 36) = ( 0.0000000 0.0000000 0.4955666), wk = 0.0026316 k( 37) = ( 0.0000000 0.0000000 0.5097257), wk = 0.0026316 k( 38) = ( 0.0000000 0.0000000 0.5238847), wk = 0.0026316 k( 39) = ( 0.0000000 0.0000000 0.5380438), wk = 0.0026316 k( 40) = ( 0.0000000 0.0000000 0.5522028), wk = 0.0026316 k( 41) = ( 0.0000000 0.0000000 0.5663618), wk = 0.0026316 k( 42) = ( 0.0000000 0.0000000 0.5805209), wk = 0.0026316 k( 43) = ( 0.0000000 0.0000000 0.5946799), wk = 0.0026316 k( 44) = ( 0.0000000 0.0000000 0.6088390), wk = 0.0026316 k( 45) = ( 0.0000000 0.0000000 0.6229980), wk = 0.0026316 k( 46) = ( 0.0000000 0.0000000 0.6371571), wk = 0.0026316 k( 47) = ( 0.0000000 0.0000000 0.6513161), wk = 0.0026316 k( 48) = ( 0.0000000 0.0000000 0.6654752), wk = 0.0026316 k( 49) = ( 0.0000000 0.0000000 0.6796342), wk = 0.0026316 k( 50) = ( 0.0000000 0.0000000 0.6937933), wk = 0.0026316 k( 51) = ( 0.0000000 0.0000000 0.7079523), wk = 0.0026316 k( 52) = ( 0.0000000 0.0000000 0.7221114), wk = 0.0026316 k( 53) = ( 0.0000000 0.0000000 0.7362704), wk = 0.0026316 k( 54) = ( 0.0000000 0.0000000 0.7362704), wk = 0.0026316 k( 55) = ( -0.0097260 0.0105130 0.7362704), wk = 0.0026316 k( 56) = ( -0.0194520 0.0210260 0.7362704), wk = 0.0026316 k( 57) = ( -0.0291780 0.0315389 0.7362704), wk = 0.0026316 k( 58) = ( -0.0389040 0.0420519 0.7362704), wk = 0.0026316 k( 59) = ( -0.0486300 0.0525649 0.7362704), wk = 0.0026316 k( 60) = ( -0.0583560 0.0630779 0.7362704), wk = 0.0026316 k( 61) = ( -0.0680821 0.0735909 0.7362704), wk = 0.0026316 k( 62) = ( -0.0778081 0.0841039 0.7362704), wk = 0.0026316 k( 63) = ( -0.0875341 0.0946168 0.7362704), wk = 0.0026316 k( 64) = ( -0.0972601 0.1051298 0.7362704), wk = 0.0026316 k( 65) = ( -0.1069861 0.1156428 0.7362704), wk = 0.0026316 k( 66) = ( -0.1167121 0.1261558 0.7362704), wk = 0.0026316 k( 67) = ( -0.1264381 0.1366688 0.7362704), wk = 0.0026316 k( 68) = ( -0.1361641 0.1471818 0.7362704), wk = 0.0026316 k( 69) = ( -0.1458901 0.1576947 0.7362704), wk = 0.0026316 k( 70) = ( -0.1556161 0.1682077 0.7362704), wk = 0.0026316 k( 71) = ( -0.1653421 0.1787207 0.7362704), wk = 0.0026316 k( 72) = ( -0.1750681 0.1892337 0.7362704), wk = 0.0026316 k( 73) = ( -0.1847941 0.1997467 0.7362704), wk = 0.0026316 k( 74) = ( -0.1945201 0.2102596 0.7362704), wk = 0.0026316 k( 75) = ( -0.2042461 0.2207726 0.7362704), wk = 0.0026316 k( 76) = ( -0.2139721 0.2312856 0.7362704), wk = 0.0026316 k( 77) = ( -0.2139721 0.2312856 0.7362704), wk = 0.0026316 k( 78) = ( -0.2207823 0.2386468 0.7262421), wk = 0.0026316 k( 79) = ( -0.2275925 0.2460081 0.7162138), wk = 0.0026316 k( 80) = ( -0.2344027 0.2533693 0.7061856), wk = 0.0026316 k( 81) = ( -0.2412129 0.2607305 0.6961573), wk = 0.0026316 k( 82) = ( -0.2480231 0.2680918 0.6861290), wk = 0.0026316 k( 83) = ( -0.2548333 0.2754530 0.6761007), wk = 0.0026316 k( 84) = ( -0.2616434 0.2828142 0.6660724), wk = 0.0026316 k( 85) = ( -0.2684536 0.2901755 0.6560442), wk = 0.0026316 k( 86) = ( -0.2752638 0.2975367 0.6460159), wk = 0.0026316 k( 87) = ( -0.2820740 0.3048979 0.6359876), wk = 0.0026316 k( 88) = ( -0.2888842 0.3122592 0.6259593), wk = 0.0026316 k( 89) = ( -0.2956944 0.3196204 0.6159311), wk = 0.0026316 k( 90) = ( -0.3025046 0.3269816 0.6059028), wk = 0.0026316 k( 91) = ( -0.3093148 0.3343428 0.5958745), wk = 0.0026316 k( 92) = ( -0.3161250 0.3417041 0.5858462), wk = 0.0026316 k( 93) = ( -0.3229351 0.3490653 0.5758179), wk = 0.0026316 k( 94) = ( -0.3297453 0.3564265 0.5657897), wk = 0.0026316 k( 95) = ( -0.3365555 0.3637878 0.5557614), wk = 0.0026316 k( 96) = ( -0.3433657 0.3711490 0.5457331), wk = 0.0026316 k( 97) = ( -0.3501759 0.3785102 0.5357048), wk = 0.0026316 k( 98) = ( -0.3569861 0.3858715 0.5256766), wk = 0.0026316 k( 99) = ( -0.3569861 0.3858715 0.5256766), wk = 0.0026316 k( 100) = ( -0.3501210 0.3784509 0.5155674), wk = 0.0026316 k( 101) = ( -0.3432558 0.3710303 0.5054582), wk = 0.0026316 k( 102) = ( -0.3363907 0.3636096 0.4953491), wk = 0.0026316 k( 103) = ( -0.3295256 0.3561890 0.4852399), wk = 0.0026316 k( 104) = ( -0.3226605 0.3487684 0.4751307), wk = 0.0026316 k( 105) = ( -0.3157954 0.3413478 0.4650216), wk = 0.0026316 k( 106) = ( -0.3089303 0.3339272 0.4549124), wk = 0.0026316 k( 107) = ( -0.3020651 0.3265066 0.4448032), wk = 0.0026316 k( 108) = ( -0.2952000 0.3190860 0.4346941), wk = 0.0026316 k( 109) = ( -0.2883349 0.3116654 0.4245849), wk = 0.0026316 k( 110) = ( -0.2814698 0.3042448 0.4144757), wk = 0.0026316 k( 111) = ( -0.2746047 0.2968242 0.4043666), wk = 0.0026316 k( 112) = ( -0.2677395 0.2894036 0.3942574), wk = 0.0026316 k( 113) = ( -0.2608744 0.2819830 0.3841483), wk = 0.0026316 k( 114) = ( -0.2540093 0.2745624 0.3740391), wk = 0.0026316 k( 115) = ( -0.2471442 0.2671418 0.3639299), wk = 0.0026316 k( 116) = ( -0.2402791 0.2597212 0.3538208), wk = 0.0026316 k( 117) = ( -0.2334140 0.2523006 0.3437116), wk = 0.0026316 k( 118) = ( -0.2265488 0.2448800 0.3336024), wk = 0.0026316 k( 119) = ( -0.2196837 0.2374594 0.3234933), wk = 0.0026316 k( 120) = ( -0.2128186 0.2300388 0.3133841), wk = 0.0026316 k( 121) = ( -0.2059535 0.2226181 0.3032749), wk = 0.0026316 k( 122) = ( -0.1990884 0.2151975 0.2931658), wk = 0.0026316 k( 123) = ( -0.1922233 0.2077769 0.2830566), wk = 0.0026316 k( 124) = ( -0.1853581 0.2003563 0.2729474), wk = 0.0026316 k( 125) = ( -0.1784930 0.1929357 0.2628383), wk = 0.0026316 k( 126) = ( -0.1716279 0.1855151 0.2527291), wk = 0.0026316 k( 127) = ( -0.1647628 0.1780945 0.2426199), wk = 0.0026316 k( 128) = ( -0.1578977 0.1706739 0.2325108), wk = 0.0026316 k( 129) = ( -0.1510326 0.1632533 0.2224016), wk = 0.0026316 k( 130) = ( -0.1441675 0.1558327 0.2122925), wk = 0.0026316 k( 131) = ( -0.1373023 0.1484121 0.2021833), wk = 0.0026316 k( 132) = ( -0.1304372 0.1409915 0.1920741), wk = 0.0026316 k( 133) = ( -0.1235721 0.1335709 0.1819650), wk = 0.0026316 k( 134) = ( -0.1167070 0.1261503 0.1718558), wk = 0.0026316 k( 135) = ( -0.1098419 0.1187297 0.1617466), wk = 0.0026316 k( 136) = ( -0.1029768 0.1113091 0.1516375), wk = 0.0026316 k( 137) = ( -0.0961116 0.1038885 0.1415283), wk = 0.0026316 k( 138) = ( -0.0892465 0.0964679 0.1314191), wk = 0.0026316 k( 139) = ( -0.0823814 0.0890473 0.1213100), wk = 0.0026316 k( 140) = ( -0.0755163 0.0816267 0.1112008), wk = 0.0026316 k( 141) = ( -0.0686512 0.0742061 0.1010916), wk = 0.0026316 k( 142) = ( -0.0617861 0.0667854 0.0909825), wk = 0.0026316 k( 143) = ( -0.0549209 0.0593648 0.0808733), wk = 0.0026316 k( 144) = ( -0.0480558 0.0519442 0.0707642), wk = 0.0026316 k( 145) = ( -0.0411907 0.0445236 0.0606550), wk = 0.0026316 k( 146) = ( -0.0343256 0.0371030 0.0505458), wk = 0.0026316 k( 147) = ( -0.0274605 0.0296824 0.0404367), wk = 0.0026316 k( 148) = ( -0.0205953 0.0222618 0.0303275), wk = 0.0026316 k( 149) = ( -0.0137302 0.0148412 0.0202183), wk = 0.0026316 k( 150) = ( -0.0068651 0.0074206 0.0101092), wk = 0.0026316 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 153) = ( 0.0104167 0.0096369 0.0000000), wk = 0.0026316 k( 154) = ( 0.0208333 0.0192738 0.0000000), wk = 0.0026316 k( 155) = ( 0.0312500 0.0289107 0.0000000), wk = 0.0026316 k( 156) = ( 0.0416667 0.0385476 0.0000000), wk = 0.0026316 k( 157) = ( 0.0520833 0.0481845 0.0000000), wk = 0.0026316 k( 158) = ( 0.0625000 0.0578214 0.0000000), wk = 0.0026316 k( 159) = ( 0.0729167 0.0674583 0.0000000), wk = 0.0026316 k( 160) = ( 0.0833333 0.0770952 0.0000000), wk = 0.0026316 k( 161) = ( 0.0937500 0.0867321 0.0000000), wk = 0.0026316 k( 162) = ( 0.1041667 0.0963690 0.0000000), wk = 0.0026316 k( 163) = ( 0.1145833 0.1060059 0.0000000), wk = 0.0026316 k( 164) = ( 0.1250000 0.1156428 0.0000000), wk = 0.0026316 k( 165) = ( 0.1354167 0.1252797 0.0000000), wk = 0.0026316 k( 166) = ( 0.1458333 0.1349166 0.0000000), wk = 0.0026316 k( 167) = ( 0.1562500 0.1445535 0.0000000), wk = 0.0026316 k( 168) = ( 0.1666667 0.1541904 0.0000000), wk = 0.0026316 k( 169) = ( 0.1770833 0.1638273 0.0000000), wk = 0.0026316 k( 170) = ( 0.1875000 0.1734642 0.0000000), wk = 0.0026316 k( 171) = ( 0.1979167 0.1831011 0.0000000), wk = 0.0026316 k( 172) = ( 0.2083333 0.1927380 0.0000000), wk = 0.0026316 k( 173) = ( 0.2187500 0.2023749 0.0000000), wk = 0.0026316 k( 174) = ( 0.2291667 0.2120118 0.0000000), wk = 0.0026316 k( 175) = ( 0.2395833 0.2216487 0.0000000), wk = 0.0026316 k( 176) = ( 0.2500000 0.2312856 0.0000000), wk = 0.0026316 k( 177) = ( 0.2604167 0.2409225 0.0000000), wk = 0.0026316 k( 178) = ( 0.2708333 0.2505594 0.0000000), wk = 0.0026316 k( 179) = ( 0.2812500 0.2601963 0.0000000), wk = 0.0026316 k( 180) = ( 0.2916667 0.2698332 0.0000000), wk = 0.0026316 k( 181) = ( 0.3020833 0.2794701 0.0000000), wk = 0.0026316 k( 182) = ( 0.3125000 0.2891070 0.0000000), wk = 0.0026316 k( 183) = ( 0.3229167 0.2987439 0.0000000), wk = 0.0026316 k( 184) = ( 0.3333333 0.3083808 0.0000000), wk = 0.0026316 k( 185) = ( 0.3437500 0.3180177 0.0000000), wk = 0.0026316 k( 186) = ( 0.3541667 0.3276546 0.0000000), wk = 0.0026316 k( 187) = ( 0.3645833 0.3372915 0.0000000), wk = 0.0026316 k( 188) = ( 0.3750000 0.3469284 0.0000000), wk = 0.0026316 k( 189) = ( 0.3854167 0.3565653 0.0000000), wk = 0.0026316 k( 190) = ( 0.3958333 0.3662022 0.0000000), wk = 0.0026316 k( 191) = ( 0.4062500 0.3758391 0.0000000), wk = 0.0026316 k( 192) = ( 0.4166667 0.3854760 0.0000000), wk = 0.0026316 k( 193) = ( 0.4270833 0.3951129 0.0000000), wk = 0.0026316 k( 194) = ( 0.4375000 0.4047498 0.0000000), wk = 0.0026316 k( 195) = ( 0.4479167 0.4143867 0.0000000), wk = 0.0026316 k( 196) = ( 0.4583333 0.4240236 0.0000000), wk = 0.0026316 k( 197) = ( 0.4687500 0.4336605 0.0000000), wk = 0.0026316 k( 198) = ( 0.4791667 0.4432974 0.0000000), wk = 0.0026316 k( 199) = ( 0.4895833 0.4529343 0.0000000), wk = 0.0026316 k( 200) = ( 0.5000000 0.4625712 0.0000000), wk = 0.0026316 k( 201) = ( 0.5000000 0.4625712 0.0000000), wk = 0.0026316 k( 202) = ( 0.4931898 0.4699325 0.0100283), wk = 0.0026316 k( 203) = ( 0.4863796 0.4772937 0.0200566), wk = 0.0026316 k( 204) = ( 0.4795694 0.4846549 0.0300848), wk = 0.0026316 k( 205) = ( 0.4727593 0.4920162 0.0401131), wk = 0.0026316 k( 206) = ( 0.4659491 0.4993774 0.0501414), wk = 0.0026316 k( 207) = ( 0.4591389 0.5067386 0.0601697), wk = 0.0026316 k( 208) = ( 0.4523287 0.5140998 0.0701979), wk = 0.0026316 k( 209) = ( 0.4455185 0.5214611 0.0802262), wk = 0.0026316 k( 210) = ( 0.4387083 0.5288223 0.0902545), wk = 0.0026316 k( 211) = ( 0.4318981 0.5361835 0.1002828), wk = 0.0026316 k( 212) = ( 0.4250879 0.5435448 0.1103111), wk = 0.0026316 k( 213) = ( 0.4182778 0.5509060 0.1203393), wk = 0.0026316 k( 214) = ( 0.4114676 0.5582672 0.1303676), wk = 0.0026316 k( 215) = ( 0.4046574 0.5656285 0.1403959), wk = 0.0026316 k( 216) = ( 0.3978472 0.5729897 0.1504242), wk = 0.0026316 k( 217) = ( 0.3910370 0.5803509 0.1604524), wk = 0.0026316 k( 218) = ( 0.3842268 0.5877122 0.1704807), wk = 0.0026316 k( 219) = ( 0.3774166 0.5950734 0.1805090), wk = 0.0026316 k( 220) = ( 0.3706064 0.6024346 0.1905373), wk = 0.0026316 k( 221) = ( 0.3637963 0.6097958 0.2005656), wk = 0.0026316 k( 222) = ( 0.3569861 0.6171571 0.2105938), wk = 0.0026316 k( 223) = ( 0.3569861 0.6171571 0.2105938), wk = 0.0026316 k( 224) = ( 0.3446762 0.6131694 0.2160263), wk = 0.0026316 k( 225) = ( 0.3323663 0.6091817 0.2214588), wk = 0.0026316 k( 226) = ( 0.3200565 0.6051940 0.2268912), wk = 0.0026316 k( 227) = ( 0.3077466 0.6012063 0.2323237), wk = 0.0026316 k( 228) = ( 0.2954368 0.5972187 0.2377561), wk = 0.0026316 k( 229) = ( 0.2831269 0.5932310 0.2431886), wk = 0.0026316 k( 230) = ( 0.2708170 0.5892433 0.2486211), wk = 0.0026316 k( 231) = ( 0.2585072 0.5852556 0.2540535), wk = 0.0026316 k( 232) = ( 0.2461973 0.5812679 0.2594860), wk = 0.0026316 k( 233) = ( 0.2338874 0.5772802 0.2649184), wk = 0.0026316 k( 234) = ( 0.2215776 0.5732926 0.2703509), wk = 0.0026316 k( 235) = ( 0.2092677 0.5693049 0.2757834), wk = 0.0026316 k( 236) = ( 0.1969578 0.5653172 0.2812158), wk = 0.0026316 k( 237) = ( 0.1846480 0.5613295 0.2866483), wk = 0.0026316 k( 238) = ( 0.1723381 0.5573418 0.2920808), wk = 0.0026316 k( 239) = ( 0.1600282 0.5533541 0.2975132), wk = 0.0026316 k( 240) = ( 0.1477184 0.5493665 0.3029457), wk = 0.0026316 k( 241) = ( 0.1354085 0.5453788 0.3083781), wk = 0.0026316 k( 242) = ( 0.1230987 0.5413911 0.3138106), wk = 0.0026316 k( 243) = ( 0.1107888 0.5374034 0.3192431), wk = 0.0026316 k( 244) = ( 0.0984789 0.5334157 0.3246755), wk = 0.0026316 k( 245) = ( 0.0861690 0.5294280 0.3301080), wk = 0.0026316 k( 246) = ( 0.0738592 0.5254404 0.3355404), wk = 0.0026316 k( 247) = ( 0.0615493 0.5214527 0.3409729), wk = 0.0026316 k( 248) = ( 0.0492395 0.5174650 0.3464054), wk = 0.0026316 k( 249) = ( 0.0369296 0.5134773 0.3518378), wk = 0.0026316 k( 250) = ( 0.0246197 0.5094896 0.3572703), wk = 0.0026316 k( 251) = ( 0.0123099 0.5055019 0.3627027), wk = 0.0026316 k( 252) = ( 0.0000000 0.5015143 0.3681352), wk = 0.0026316 k( 253) = ( 0.0000000 0.5015143 0.3681352), wk = 0.0026316 k( 254) = ( 0.0067568 0.4942108 0.3780848), wk = 0.0026316 k( 255) = ( 0.0135135 0.4869073 0.3880344), wk = 0.0026316 k( 256) = ( 0.0202703 0.4796038 0.3979840), wk = 0.0026316 k( 257) = ( 0.0270270 0.4723004 0.4079336), wk = 0.0026316 k( 258) = ( 0.0337838 0.4649969 0.4178832), wk = 0.0026316 k( 259) = ( 0.0405405 0.4576934 0.4278328), wk = 0.0026316 k( 260) = ( 0.0472973 0.4503899 0.4377824), wk = 0.0026316 k( 261) = ( 0.0540540 0.4430865 0.4477320), wk = 0.0026316 k( 262) = ( 0.0608108 0.4357830 0.4576816), wk = 0.0026316 k( 263) = ( 0.0675676 0.4284795 0.4676312), wk = 0.0026316 k( 264) = ( 0.0743243 0.4211760 0.4775808), wk = 0.0026316 k( 265) = ( 0.0810811 0.4138725 0.4875304), wk = 0.0026316 k( 266) = ( 0.0878378 0.4065691 0.4974800), wk = 0.0026316 k( 267) = ( 0.0945946 0.3992656 0.5074296), wk = 0.0026316 k( 268) = ( 0.1013514 0.3919621 0.5173792), wk = 0.0026316 k( 269) = ( 0.1081081 0.3846586 0.5273288), wk = 0.0026316 k( 270) = ( 0.1148649 0.3773552 0.5372784), wk = 0.0026316 k( 271) = ( 0.1216216 0.3700517 0.5472280), wk = 0.0026316 k( 272) = ( 0.1283784 0.3627482 0.5571776), wk = 0.0026316 k( 273) = ( 0.1351351 0.3554447 0.5671272), wk = 0.0026316 k( 274) = ( 0.1418919 0.3481413 0.5770768), wk = 0.0026316 k( 275) = ( 0.1486486 0.3408378 0.5870264), wk = 0.0026316 k( 276) = ( 0.1554054 0.3335343 0.5969760), wk = 0.0026316 k( 277) = ( 0.1621622 0.3262308 0.6069256), wk = 0.0026316 k( 278) = ( 0.1689189 0.3189273 0.6168752), wk = 0.0026316 k( 279) = ( 0.1756757 0.3116239 0.6268248), wk = 0.0026316 k( 280) = ( 0.1824324 0.3043204 0.6367744), wk = 0.0026316 k( 281) = ( 0.1891892 0.2970169 0.6467240), wk = 0.0026316 k( 282) = ( 0.1959460 0.2897134 0.6566736), wk = 0.0026316 k( 283) = ( 0.2027027 0.2824100 0.6666232), wk = 0.0026316 k( 284) = ( 0.2094595 0.2751065 0.6765728), wk = 0.0026316 k( 285) = ( 0.2162162 0.2678030 0.6865224), wk = 0.0026316 k( 286) = ( 0.2229730 0.2604995 0.6964720), wk = 0.0026316 k( 287) = ( 0.2297297 0.2531960 0.7064216), wk = 0.0026316 k( 288) = ( 0.2364865 0.2458926 0.7163712), wk = 0.0026316 k( 289) = ( 0.2432432 0.2385891 0.7263208), wk = 0.0026316 k( 290) = ( 0.2500000 0.2312856 0.7362704), wk = 0.0026316 k( 291) = ( 0.2500000 0.2312856 0.7362704), wk = 0.0026316 k( 292) = ( 0.2575758 0.2382943 0.7267224), wk = 0.0026316 k( 293) = ( 0.2651515 0.2453029 0.7171745), wk = 0.0026316 k( 294) = ( 0.2727273 0.2523116 0.7076265), wk = 0.0026316 k( 295) = ( 0.2803030 0.2593202 0.6980785), wk = 0.0026316 k( 296) = ( 0.2878788 0.2663289 0.6885306), wk = 0.0026316 k( 297) = ( 0.2954545 0.2733375 0.6789826), wk = 0.0026316 k( 298) = ( 0.3030303 0.2803462 0.6694347), wk = 0.0026316 k( 299) = ( 0.3106061 0.2873549 0.6598867), wk = 0.0026316 k( 300) = ( 0.3181818 0.2943635 0.6503387), wk = 0.0026316 k( 301) = ( 0.3257576 0.3013722 0.6407908), wk = 0.0026316 k( 302) = ( 0.3333333 0.3083808 0.6312428), wk = 0.0026316 k( 303) = ( 0.3409091 0.3153895 0.6216949), wk = 0.0026316 k( 304) = ( 0.3484849 0.3223981 0.6121469), wk = 0.0026316 k( 305) = ( 0.3560606 0.3294068 0.6025989), wk = 0.0026316 k( 306) = ( 0.3636364 0.3364154 0.5930510), wk = 0.0026316 k( 307) = ( 0.3712121 0.3434241 0.5835030), wk = 0.0026316 k( 308) = ( 0.3787879 0.3504328 0.5739551), wk = 0.0026316 k( 309) = ( 0.3863636 0.3574414 0.5644071), wk = 0.0026316 k( 310) = ( 0.3939394 0.3644501 0.5548591), wk = 0.0026316 k( 311) = ( 0.4015151 0.3714587 0.5453112), wk = 0.0026316 k( 312) = ( 0.4090909 0.3784674 0.5357632), wk = 0.0026316 k( 313) = ( 0.4166667 0.3854760 0.5262153), wk = 0.0026316 k( 314) = ( 0.4242424 0.3924847 0.5166673), wk = 0.0026316 k( 315) = ( 0.4318182 0.3994933 0.5071193), wk = 0.0026316 k( 316) = ( 0.4393939 0.4065020 0.4975714), wk = 0.0026316 k( 317) = ( 0.4469697 0.4135106 0.4880234), wk = 0.0026316 k( 318) = ( 0.4545455 0.4205193 0.4784754), wk = 0.0026316 k( 319) = ( 0.4621212 0.4275280 0.4689275), wk = 0.0026316 k( 320) = ( 0.4696970 0.4345366 0.4593795), wk = 0.0026316 k( 321) = ( 0.4772727 0.4415453 0.4498316), wk = 0.0026316 k( 322) = ( 0.4848485 0.4485539 0.4402836), wk = 0.0026316 k( 323) = ( 0.4924242 0.4555626 0.4307356), wk = 0.0026316 k( 324) = ( 0.5000000 0.4625712 0.4211877), wk = 0.0026316 k( 325) = ( 0.5000000 0.4625712 0.4211877), wk = 0.0026316 k( 326) = ( 0.5000000 0.4625712 0.4071481), wk = 0.0026316 k( 327) = ( 0.5000000 0.4625712 0.3931085), wk = 0.0026316 k( 328) = ( 0.5000000 0.4625712 0.3790689), wk = 0.0026316 k( 329) = ( 0.5000000 0.4625712 0.3650293), wk = 0.0026316 k( 330) = ( 0.5000000 0.4625712 0.3509897), wk = 0.0026316 k( 331) = ( 0.5000000 0.4625712 0.3369501), wk = 0.0026316 k( 332) = ( 0.5000000 0.4625712 0.3229106), wk = 0.0026316 k( 333) = ( 0.5000000 0.4625712 0.3088710), wk = 0.0026316 k( 334) = ( 0.5000000 0.4625712 0.2948314), wk = 0.0026316 k( 335) = ( 0.5000000 0.4625712 0.2807918), wk = 0.0026316 k( 336) = ( 0.5000000 0.4625712 0.2667522), wk = 0.0026316 k( 337) = ( 0.5000000 0.4625712 0.2527126), wk = 0.0026316 k( 338) = ( 0.5000000 0.4625712 0.2386730), wk = 0.0026316 k( 339) = ( 0.5000000 0.4625712 0.2246334), wk = 0.0026316 k( 340) = ( 0.5000000 0.4625712 0.2105938), wk = 0.0026316 k( 341) = ( 0.5000000 0.4625712 0.1965543), wk = 0.0026316 k( 342) = ( 0.5000000 0.4625712 0.1825147), wk = 0.0026316 k( 343) = ( 0.5000000 0.4625712 0.1684751), wk = 0.0026316 k( 344) = ( 0.5000000 0.4625712 0.1544355), wk = 0.0026316 k( 345) = ( 0.5000000 0.4625712 0.1403959), wk = 0.0026316 k( 346) = ( 0.5000000 0.4625712 0.1263563), wk = 0.0026316 k( 347) = ( 0.5000000 0.4625712 0.1123167), wk = 0.0026316 k( 348) = ( 0.5000000 0.4625712 0.0982771), wk = 0.0026316 k( 349) = ( 0.5000000 0.4625712 0.0842375), wk = 0.0026316 k( 350) = ( 0.5000000 0.4625712 0.0701979), wk = 0.0026316 k( 351) = ( 0.5000000 0.4625712 0.0561584), wk = 0.0026316 k( 352) = ( 0.5000000 0.4625712 0.0421188), wk = 0.0026316 k( 353) = ( 0.5000000 0.4625712 0.0280792), wk = 0.0026316 k( 354) = ( 0.5000000 0.4625712 0.0140396), wk = 0.0026316 k( 355) = ( 0.5000000 0.4625712 0.0000000), wk = 0.0026316 k( 356) = ( 0.0000000 0.0000000 0.7362704), wk = 0.0026316 k( 357) = ( 0.0104167 0.0096369 0.7362704), wk = 0.0026316 k( 358) = ( 0.0208333 0.0192738 0.7362704), wk = 0.0026316 k( 359) = ( 0.0312500 0.0289107 0.7362704), wk = 0.0026316 k( 360) = ( 0.0416667 0.0385476 0.7362704), wk = 0.0026316 k( 361) = ( 0.0520833 0.0481845 0.7362704), wk = 0.0026316 k( 362) = ( 0.0625000 0.0578214 0.7362704), wk = 0.0026316 k( 363) = ( 0.0729167 0.0674583 0.7362704), wk = 0.0026316 k( 364) = ( 0.0833333 0.0770952 0.7362704), wk = 0.0026316 k( 365) = ( 0.0937500 0.0867321 0.7362704), wk = 0.0026316 k( 366) = ( 0.1041667 0.0963690 0.7362704), wk = 0.0026316 k( 367) = ( 0.1145833 0.1060059 0.7362704), wk = 0.0026316 k( 368) = ( 0.1250000 0.1156428 0.7362704), wk = 0.0026316 k( 369) = ( 0.1354167 0.1252797 0.7362704), wk = 0.0026316 k( 370) = ( 0.1458333 0.1349166 0.7362704), wk = 0.0026316 k( 371) = ( 0.1562500 0.1445535 0.7362704), wk = 0.0026316 k( 372) = ( 0.1666667 0.1541904 0.7362704), wk = 0.0026316 k( 373) = ( 0.1770833 0.1638273 0.7362704), wk = 0.0026316 k( 374) = ( 0.1875000 0.1734642 0.7362704), wk = 0.0026316 k( 375) = ( 0.1979167 0.1831011 0.7362704), wk = 0.0026316 k( 376) = ( 0.2083333 0.1927380 0.7362704), wk = 0.0026316 k( 377) = ( 0.2187500 0.2023749 0.7362704), wk = 0.0026316 k( 378) = ( 0.2291667 0.2120118 0.7362704), wk = 0.0026316 k( 379) = ( 0.2395833 0.2216487 0.7362704), wk = 0.0026316 k( 380) = ( 0.2500000 0.2312856 0.7362704), wk = 0.0026316 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 2) = ( 0.0000000 0.0000000 0.0096154), wk = 0.0026316 k( 3) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0026316 k( 4) = ( 0.0000000 0.0000000 0.0288462), wk = 0.0026316 k( 5) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0026316 k( 6) = ( 0.0000000 0.0000000 0.0480769), wk = 0.0026316 k( 7) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0026316 k( 8) = ( 0.0000000 0.0000000 0.0673077), wk = 0.0026316 k( 9) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0026316 k( 10) = ( 0.0000000 0.0000000 0.0865385), wk = 0.0026316 k( 11) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0026316 k( 12) = ( 0.0000000 0.0000000 0.1057692), wk = 0.0026316 k( 13) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0026316 k( 14) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026316 k( 15) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0026316 k( 16) = ( 0.0000000 0.0000000 0.1442308), wk = 0.0026316 k( 17) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0026316 k( 18) = ( 0.0000000 0.0000000 0.1634615), wk = 0.0026316 k( 19) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0026316 k( 20) = ( 0.0000000 0.0000000 0.1826923), wk = 0.0026316 k( 21) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0026316 k( 22) = ( 0.0000000 0.0000000 0.2019231), wk = 0.0026316 k( 23) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0026316 k( 24) = ( 0.0000000 0.0000000 0.2211539), wk = 0.0026316 k( 25) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0026316 k( 26) = ( 0.0000000 0.0000000 0.2403846), wk = 0.0026316 k( 27) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026316 k( 28) = ( 0.0000000 0.0000000 0.2596154), wk = 0.0026316 k( 29) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0026316 k( 30) = ( 0.0000000 0.0000000 0.2788462), wk = 0.0026316 k( 31) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0026316 k( 32) = ( 0.0000000 0.0000000 0.2980769), wk = 0.0026316 k( 33) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0026316 k( 34) = ( 0.0000000 0.0000000 0.3173077), wk = 0.0026316 k( 35) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0026316 k( 36) = ( 0.0000000 0.0000000 0.3365385), wk = 0.0026316 k( 37) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0026316 k( 38) = ( 0.0000000 0.0000000 0.3557692), wk = 0.0026316 k( 39) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0026316 k( 40) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026316 k( 41) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0026316 k( 42) = ( 0.0000000 0.0000000 0.3942308), wk = 0.0026316 k( 43) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0026316 k( 44) = ( 0.0000000 0.0000000 0.4134615), wk = 0.0026316 k( 45) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0026316 k( 46) = ( 0.0000000 0.0000000 0.4326923), wk = 0.0026316 k( 47) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0026316 k( 48) = ( 0.0000000 0.0000000 0.4519231), wk = 0.0026316 k( 49) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0026316 k( 50) = ( 0.0000000 0.0000000 0.4711539), wk = 0.0026316 k( 51) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0026316 k( 52) = ( 0.0000000 0.0000000 0.4903846), wk = 0.0026316 k( 53) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 55) = ( -0.0097260 0.0097260 0.5000000), wk = 0.0026316 k( 56) = ( -0.0194520 0.0194520 0.5000000), wk = 0.0026316 k( 57) = ( -0.0291780 0.0291780 0.5000000), wk = 0.0026316 k( 58) = ( -0.0389040 0.0389040 0.5000000), wk = 0.0026316 k( 59) = ( -0.0486300 0.0486300 0.5000000), wk = 0.0026316 k( 60) = ( -0.0583560 0.0583560 0.5000000), wk = 0.0026316 k( 61) = ( -0.0680821 0.0680821 0.5000000), wk = 0.0026316 k( 62) = ( -0.0778081 0.0778080 0.5000000), wk = 0.0026316 k( 63) = ( -0.0875341 0.0875341 0.5000000), wk = 0.0026316 k( 64) = ( -0.0972601 0.0972601 0.5000000), wk = 0.0026316 k( 65) = ( -0.1069861 0.1069861 0.5000000), wk = 0.0026316 k( 66) = ( -0.1167121 0.1167121 0.5000000), wk = 0.0026316 k( 67) = ( -0.1264381 0.1264381 0.5000000), wk = 0.0026316 k( 68) = ( -0.1361641 0.1361641 0.5000000), wk = 0.0026316 k( 69) = ( -0.1458901 0.1458901 0.5000000), wk = 0.0026316 k( 70) = ( -0.1556161 0.1556161 0.5000000), wk = 0.0026316 k( 71) = ( -0.1653421 0.1653421 0.5000000), wk = 0.0026316 k( 72) = ( -0.1750681 0.1750681 0.5000000), wk = 0.0026316 k( 73) = ( -0.1847941 0.1847941 0.5000000), wk = 0.0026316 k( 74) = ( -0.1945201 0.1945201 0.5000000), wk = 0.0026316 k( 75) = ( -0.2042461 0.2042461 0.5000000), wk = 0.0026316 k( 76) = ( -0.2139721 0.2139721 0.5000000), wk = 0.0026316 k( 77) = ( -0.2139721 0.2139721 0.5000000), wk = 0.0026316 k( 78) = ( -0.2207823 0.2207823 0.4931898), wk = 0.0026316 k( 79) = ( -0.2275925 0.2275925 0.4863796), wk = 0.0026316 k( 80) = ( -0.2344027 0.2344027 0.4795694), wk = 0.0026316 k( 81) = ( -0.2412129 0.2412129 0.4727593), wk = 0.0026316 k( 82) = ( -0.2480231 0.2480231 0.4659491), wk = 0.0026316 k( 83) = ( -0.2548333 0.2548333 0.4591389), wk = 0.0026316 k( 84) = ( -0.2616434 0.2616434 0.4523287), wk = 0.0026316 k( 85) = ( -0.2684536 0.2684536 0.4455185), wk = 0.0026316 k( 86) = ( -0.2752638 0.2752638 0.4387083), wk = 0.0026316 k( 87) = ( -0.2820740 0.2820740 0.4318981), wk = 0.0026316 k( 88) = ( -0.2888842 0.2888842 0.4250879), wk = 0.0026316 k( 89) = ( -0.2956944 0.2956944 0.4182778), wk = 0.0026316 k( 90) = ( -0.3025046 0.3025046 0.4114676), wk = 0.0026316 k( 91) = ( -0.3093148 0.3093148 0.4046574), wk = 0.0026316 k( 92) = ( -0.3161250 0.3161250 0.3978472), wk = 0.0026316 k( 93) = ( -0.3229351 0.3229351 0.3910370), wk = 0.0026316 k( 94) = ( -0.3297453 0.3297453 0.3842268), wk = 0.0026316 k( 95) = ( -0.3365555 0.3365555 0.3774166), wk = 0.0026316 k( 96) = ( -0.3433657 0.3433657 0.3706064), wk = 0.0026316 k( 97) = ( -0.3501759 0.3501759 0.3637963), wk = 0.0026316 k( 98) = ( -0.3569861 0.3569861 0.3569861), wk = 0.0026316 k( 99) = ( -0.3569861 0.3569861 0.3569861), wk = 0.0026316 k( 100) = ( -0.3501210 0.3501210 0.3501210), wk = 0.0026316 k( 101) = ( -0.3432558 0.3432558 0.3432558), wk = 0.0026316 k( 102) = ( -0.3363907 0.3363907 0.3363907), wk = 0.0026316 k( 103) = ( -0.3295256 0.3295256 0.3295256), wk = 0.0026316 k( 104) = ( -0.3226605 0.3226605 0.3226605), wk = 0.0026316 k( 105) = ( -0.3157954 0.3157954 0.3157954), wk = 0.0026316 k( 106) = ( -0.3089303 0.3089303 0.3089302), wk = 0.0026316 k( 107) = ( -0.3020651 0.3020651 0.3020651), wk = 0.0026316 k( 108) = ( -0.2952000 0.2952000 0.2952000), wk = 0.0026316 k( 109) = ( -0.2883349 0.2883349 0.2883349), wk = 0.0026316 k( 110) = ( -0.2814698 0.2814698 0.2814698), wk = 0.0026316 k( 111) = ( -0.2746047 0.2746047 0.2746047), wk = 0.0026316 k( 112) = ( -0.2677395 0.2677395 0.2677395), wk = 0.0026316 k( 113) = ( -0.2608744 0.2608744 0.2608744), wk = 0.0026316 k( 114) = ( -0.2540093 0.2540093 0.2540093), wk = 0.0026316 k( 115) = ( -0.2471442 0.2471442 0.2471442), wk = 0.0026316 k( 116) = ( -0.2402791 0.2402791 0.2402791), wk = 0.0026316 k( 117) = ( -0.2334140 0.2334140 0.2334140), wk = 0.0026316 k( 118) = ( -0.2265488 0.2265488 0.2265488), wk = 0.0026316 k( 119) = ( -0.2196837 0.2196837 0.2196837), wk = 0.0026316 k( 120) = ( -0.2128186 0.2128186 0.2128186), wk = 0.0026316 k( 121) = ( -0.2059535 0.2059535 0.2059535), wk = 0.0026316 k( 122) = ( -0.1990884 0.1990884 0.1990884), wk = 0.0026316 k( 123) = ( -0.1922233 0.1922233 0.1922233), wk = 0.0026316 k( 124) = ( -0.1853581 0.1853581 0.1853581), wk = 0.0026316 k( 125) = ( -0.1784930 0.1784930 0.1784930), wk = 0.0026316 k( 126) = ( -0.1716279 0.1716279 0.1716279), wk = 0.0026316 k( 127) = ( -0.1647628 0.1647628 0.1647628), wk = 0.0026316 k( 128) = ( -0.1578977 0.1578977 0.1578977), wk = 0.0026316 k( 129) = ( -0.1510326 0.1510326 0.1510326), wk = 0.0026316 k( 130) = ( -0.1441675 0.1441675 0.1441674), wk = 0.0026316 k( 131) = ( -0.1373023 0.1373023 0.1373023), wk = 0.0026316 k( 132) = ( -0.1304372 0.1304372 0.1304372), wk = 0.0026316 k( 133) = ( -0.1235721 0.1235721 0.1235721), wk = 0.0026316 k( 134) = ( -0.1167070 0.1167070 0.1167070), wk = 0.0026316 k( 135) = ( -0.1098419 0.1098419 0.1098419), wk = 0.0026316 k( 136) = ( -0.1029768 0.1029768 0.1029768), wk = 0.0026316 k( 137) = ( -0.0961116 0.0961116 0.0961116), wk = 0.0026316 k( 138) = ( -0.0892465 0.0892465 0.0892465), wk = 0.0026316 k( 139) = ( -0.0823814 0.0823814 0.0823814), wk = 0.0026316 k( 140) = ( -0.0755163 0.0755163 0.0755163), wk = 0.0026316 k( 141) = ( -0.0686512 0.0686512 0.0686512), wk = 0.0026316 k( 142) = ( -0.0617861 0.0617860 0.0617861), wk = 0.0026316 k( 143) = ( -0.0549209 0.0549209 0.0549209), wk = 0.0026316 k( 144) = ( -0.0480558 0.0480558 0.0480558), wk = 0.0026316 k( 145) = ( -0.0411907 0.0411907 0.0411907), wk = 0.0026316 k( 146) = ( -0.0343256 0.0343256 0.0343256), wk = 0.0026316 k( 147) = ( -0.0274605 0.0274605 0.0274605), wk = 0.0026316 k( 148) = ( -0.0205953 0.0205953 0.0205953), wk = 0.0026316 k( 149) = ( -0.0137302 0.0137302 0.0137302), wk = 0.0026316 k( 150) = ( -0.0068651 0.0068651 0.0068651), wk = 0.0026316 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 152) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026316 k( 153) = ( 0.0104167 0.0104167 -0.0104167), wk = 0.0026316 k( 154) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0026316 k( 155) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0026316 k( 156) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0026316 k( 157) = ( 0.0520833 0.0520833 -0.0520833), wk = 0.0026316 k( 158) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0026316 k( 159) = ( 0.0729167 0.0729167 -0.0729167), wk = 0.0026316 k( 160) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0026316 k( 161) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0026316 k( 162) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0026316 k( 163) = ( 0.1145833 0.1145833 -0.1145833), wk = 0.0026316 k( 164) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0026316 k( 165) = ( 0.1354167 0.1354167 -0.1354167), wk = 0.0026316 k( 166) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0026316 k( 167) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0026316 k( 168) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0026316 k( 169) = ( 0.1770833 0.1770833 -0.1770833), wk = 0.0026316 k( 170) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0026316 k( 171) = ( 0.1979167 0.1979167 -0.1979167), wk = 0.0026316 k( 172) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0026316 k( 173) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0026316 k( 174) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0026316 k( 175) = ( 0.2395833 0.2395833 -0.2395833), wk = 0.0026316 k( 176) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026316 k( 177) = ( 0.2604167 0.2604167 -0.2604167), wk = 0.0026316 k( 178) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0026316 k( 179) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0026316 k( 180) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0026316 k( 181) = ( 0.3020833 0.3020833 -0.3020833), wk = 0.0026316 k( 182) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0026316 k( 183) = ( 0.3229167 0.3229167 -0.3229167), wk = 0.0026316 k( 184) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0026316 k( 185) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0026316 k( 186) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0026316 k( 187) = ( 0.3645833 0.3645833 -0.3645833), wk = 0.0026316 k( 188) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0026316 k( 189) = ( 0.3854167 0.3854167 -0.3854167), wk = 0.0026316 k( 190) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0026316 k( 191) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0026316 k( 192) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0026316 k( 193) = ( 0.4270833 0.4270833 -0.4270833), wk = 0.0026316 k( 194) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0026316 k( 195) = ( 0.4479167 0.4479167 -0.4479167), wk = 0.0026316 k( 196) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0026316 k( 197) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0026316 k( 198) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0026316 k( 199) = ( 0.4895833 0.4895833 -0.4895833), wk = 0.0026316 k( 200) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026316 k( 201) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026316 k( 202) = ( 0.4931898 0.5068102 -0.4931898), wk = 0.0026316 k( 203) = ( 0.4863796 0.5136204 -0.4863796), wk = 0.0026316 k( 204) = ( 0.4795694 0.5204306 -0.4795694), wk = 0.0026316 k( 205) = ( 0.4727593 0.5272408 -0.4727593), wk = 0.0026316 k( 206) = ( 0.4659491 0.5340509 -0.4659491), wk = 0.0026316 k( 207) = ( 0.4591389 0.5408611 -0.4591389), wk = 0.0026316 k( 208) = ( 0.4523287 0.5476713 -0.4523287), wk = 0.0026316 k( 209) = ( 0.4455185 0.5544815 -0.4455185), wk = 0.0026316 k( 210) = ( 0.4387083 0.5612917 -0.4387083), wk = 0.0026316 k( 211) = ( 0.4318981 0.5681019 -0.4318981), wk = 0.0026316 k( 212) = ( 0.4250879 0.5749121 -0.4250879), wk = 0.0026316 k( 213) = ( 0.4182778 0.5817222 -0.4182778), wk = 0.0026316 k( 214) = ( 0.4114676 0.5885324 -0.4114676), wk = 0.0026316 k( 215) = ( 0.4046574 0.5953426 -0.4046574), wk = 0.0026316 k( 216) = ( 0.3978472 0.6021528 -0.3978472), wk = 0.0026316 k( 217) = ( 0.3910370 0.6089630 -0.3910370), wk = 0.0026316 k( 218) = ( 0.3842268 0.6157732 -0.3842268), wk = 0.0026316 k( 219) = ( 0.3774166 0.6225834 -0.3774166), wk = 0.0026316 k( 220) = ( 0.3706064 0.6293935 -0.3706064), wk = 0.0026316 k( 221) = ( 0.3637963 0.6362037 -0.3637963), wk = 0.0026316 k( 222) = ( 0.3569861 0.6430139 -0.3569861), wk = 0.0026316 k( 223) = ( 0.3569861 0.6430139 -0.3569861), wk = 0.0026316 k( 224) = ( 0.3446762 0.6380824 -0.3446762), wk = 0.0026316 k( 225) = ( 0.3323663 0.6331509 -0.3323663), wk = 0.0026316 k( 226) = ( 0.3200565 0.6282194 -0.3200565), wk = 0.0026316 k( 227) = ( 0.3077466 0.6232879 -0.3077466), wk = 0.0026316 k( 228) = ( 0.2954368 0.6183564 -0.2954368), wk = 0.0026316 k( 229) = ( 0.2831269 0.6134248 -0.2831269), wk = 0.0026316 k( 230) = ( 0.2708170 0.6084933 -0.2708170), wk = 0.0026316 k( 231) = ( 0.2585072 0.6035618 -0.2585072), wk = 0.0026316 k( 232) = ( 0.2461973 0.5986303 -0.2461973), wk = 0.0026316 k( 233) = ( 0.2338874 0.5936988 -0.2338874), wk = 0.0026316 k( 234) = ( 0.2215776 0.5887673 -0.2215776), wk = 0.0026316 k( 235) = ( 0.2092677 0.5838357 -0.2092677), wk = 0.0026316 k( 236) = ( 0.1969578 0.5789042 -0.1969578), wk = 0.0026316 k( 237) = ( 0.1846480 0.5739727 -0.1846480), wk = 0.0026316 k( 238) = ( 0.1723381 0.5690412 -0.1723381), wk = 0.0026316 k( 239) = ( 0.1600282 0.5641097 -0.1600282), wk = 0.0026316 k( 240) = ( 0.1477184 0.5591782 -0.1477184), wk = 0.0026316 k( 241) = ( 0.1354085 0.5542467 -0.1354085), wk = 0.0026316 k( 242) = ( 0.1230987 0.5493151 -0.1230986), wk = 0.0026316 k( 243) = ( 0.1107888 0.5443836 -0.1107888), wk = 0.0026316 k( 244) = ( 0.0984789 0.5394521 -0.0984789), wk = 0.0026316 k( 245) = ( 0.0861690 0.5345206 -0.0861690), wk = 0.0026316 k( 246) = ( 0.0738592 0.5295891 -0.0738592), wk = 0.0026316 k( 247) = ( 0.0615493 0.5246576 -0.0615493), wk = 0.0026316 k( 248) = ( 0.0492395 0.5197261 -0.0492395), wk = 0.0026316 k( 249) = ( 0.0369296 0.5147945 -0.0369296), wk = 0.0026316 k( 250) = ( 0.0246197 0.5098630 -0.0246197), wk = 0.0026316 k( 251) = ( 0.0123099 0.5049315 -0.0123099), wk = 0.0026316 k( 252) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026316 k( 253) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026316 k( 254) = ( 0.0067568 0.4932432 0.0067568), wk = 0.0026316 k( 255) = ( 0.0135135 0.4864865 0.0135135), wk = 0.0026316 k( 256) = ( 0.0202703 0.4797297 0.0202703), wk = 0.0026316 k( 257) = ( 0.0270270 0.4729730 0.0270270), wk = 0.0026316 k( 258) = ( 0.0337838 0.4662162 0.0337838), wk = 0.0026316 k( 259) = ( 0.0405405 0.4594595 0.0405405), wk = 0.0026316 k( 260) = ( 0.0472973 0.4527027 0.0472973), wk = 0.0026316 k( 261) = ( 0.0540540 0.4459460 0.0540541), wk = 0.0026316 k( 262) = ( 0.0608108 0.4391892 0.0608108), wk = 0.0026316 k( 263) = ( 0.0675676 0.4324324 0.0675676), wk = 0.0026316 k( 264) = ( 0.0743243 0.4256757 0.0743243), wk = 0.0026316 k( 265) = ( 0.0810811 0.4189189 0.0810811), wk = 0.0026316 k( 266) = ( 0.0878378 0.4121622 0.0878378), wk = 0.0026316 k( 267) = ( 0.0945946 0.4054054 0.0945946), wk = 0.0026316 k( 268) = ( 0.1013514 0.3986486 0.1013514), wk = 0.0026316 k( 269) = ( 0.1081081 0.3918919 0.1081081), wk = 0.0026316 k( 270) = ( 0.1148649 0.3851351 0.1148649), wk = 0.0026316 k( 271) = ( 0.1216216 0.3783784 0.1216216), wk = 0.0026316 k( 272) = ( 0.1283784 0.3716216 0.1283784), wk = 0.0026316 k( 273) = ( 0.1351351 0.3648649 0.1351351), wk = 0.0026316 k( 274) = ( 0.1418919 0.3581081 0.1418919), wk = 0.0026316 k( 275) = ( 0.1486486 0.3513514 0.1486486), wk = 0.0026316 k( 276) = ( 0.1554054 0.3445946 0.1554054), wk = 0.0026316 k( 277) = ( 0.1621622 0.3378378 0.1621622), wk = 0.0026316 k( 278) = ( 0.1689189 0.3310811 0.1689189), wk = 0.0026316 k( 279) = ( 0.1756757 0.3243243 0.1756757), wk = 0.0026316 k( 280) = ( 0.1824324 0.3175676 0.1824324), wk = 0.0026316 k( 281) = ( 0.1891892 0.3108108 0.1891892), wk = 0.0026316 k( 282) = ( 0.1959460 0.3040540 0.1959460), wk = 0.0026316 k( 283) = ( 0.2027027 0.2972973 0.2027027), wk = 0.0026316 k( 284) = ( 0.2094595 0.2905405 0.2094595), wk = 0.0026316 k( 285) = ( 0.2162162 0.2837838 0.2162162), wk = 0.0026316 k( 286) = ( 0.2229730 0.2770270 0.2229730), wk = 0.0026316 k( 287) = ( 0.2297297 0.2702703 0.2297297), wk = 0.0026316 k( 288) = ( 0.2364865 0.2635135 0.2364865), wk = 0.0026316 k( 289) = ( 0.2432432 0.2567568 0.2432432), wk = 0.0026316 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026316 k( 291) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026316 k( 292) = ( 0.2575758 0.2575758 0.2359402), wk = 0.0026316 k( 293) = ( 0.2651515 0.2651515 0.2218805), wk = 0.0026316 k( 294) = ( 0.2727273 0.2727273 0.2078207), wk = 0.0026316 k( 295) = ( 0.2803030 0.2803030 0.1937610), wk = 0.0026316 k( 296) = ( 0.2878788 0.2878788 0.1797012), wk = 0.0026316 k( 297) = ( 0.2954545 0.2954545 0.1656414), wk = 0.0026316 k( 298) = ( 0.3030303 0.3030303 0.1515817), wk = 0.0026316 k( 299) = ( 0.3106061 0.3106061 0.1375219), wk = 0.0026316 k( 300) = ( 0.3181818 0.3181818 0.1234621), wk = 0.0026316 k( 301) = ( 0.3257576 0.3257576 0.1094024), wk = 0.0026316 k( 302) = ( 0.3333333 0.3333333 0.0953426), wk = 0.0026316 k( 303) = ( 0.3409091 0.3409091 0.0812829), wk = 0.0026316 k( 304) = ( 0.3484849 0.3484848 0.0672231), wk = 0.0026316 k( 305) = ( 0.3560606 0.3560606 0.0531633), wk = 0.0026316 k( 306) = ( 0.3636364 0.3636364 0.0391036), wk = 0.0026316 k( 307) = ( 0.3712121 0.3712121 0.0250438), wk = 0.0026316 k( 308) = ( 0.3787879 0.3787879 0.0109841), wk = 0.0026316 k( 309) = ( 0.3863636 0.3863636 -0.0030757), wk = 0.0026316 k( 310) = ( 0.3939394 0.3939394 -0.0171355), wk = 0.0026316 k( 311) = ( 0.4015151 0.4015152 -0.0311952), wk = 0.0026316 k( 312) = ( 0.4090909 0.4090909 -0.0452550), wk = 0.0026316 k( 313) = ( 0.4166667 0.4166667 -0.0593148), wk = 0.0026316 k( 314) = ( 0.4242424 0.4242424 -0.0733745), wk = 0.0026316 k( 315) = ( 0.4318182 0.4318182 -0.0874343), wk = 0.0026316 k( 316) = ( 0.4393939 0.4393939 -0.1014940), wk = 0.0026316 k( 317) = ( 0.4469697 0.4469697 -0.1155538), wk = 0.0026316 k( 318) = ( 0.4545455 0.4545455 -0.1296136), wk = 0.0026316 k( 319) = ( 0.4621212 0.4621212 -0.1436733), wk = 0.0026316 k( 320) = ( 0.4696970 0.4696970 -0.1577331), wk = 0.0026316 k( 321) = ( 0.4772727 0.4772727 -0.1717929), wk = 0.0026316 k( 322) = ( 0.4848485 0.4848485 -0.1858526), wk = 0.0026316 k( 323) = ( 0.4924242 0.4924242 -0.1999124), wk = 0.0026316 k( 324) = ( 0.5000000 0.5000000 -0.2139721), wk = 0.0026316 k( 325) = ( 0.5000000 0.5000000 -0.2139721), wk = 0.0026316 k( 326) = ( 0.5000000 0.5000000 -0.2235064), wk = 0.0026316 k( 327) = ( 0.5000000 0.5000000 -0.2330407), wk = 0.0026316 k( 328) = ( 0.5000000 0.5000000 -0.2425749), wk = 0.0026316 k( 329) = ( 0.5000000 0.5000000 -0.2521092), wk = 0.0026316 k( 330) = ( 0.5000000 0.5000000 -0.2616434), wk = 0.0026316 k( 331) = ( 0.5000000 0.5000000 -0.2711777), wk = 0.0026316 k( 332) = ( 0.5000000 0.5000000 -0.2807120), wk = 0.0026316 k( 333) = ( 0.5000000 0.5000000 -0.2902462), wk = 0.0026316 k( 334) = ( 0.5000000 0.5000000 -0.2997805), wk = 0.0026316 k( 335) = ( 0.5000000 0.5000000 -0.3093148), wk = 0.0026316 k( 336) = ( 0.5000000 0.5000000 -0.3188490), wk = 0.0026316 k( 337) = ( 0.5000000 0.5000000 -0.3283833), wk = 0.0026316 k( 338) = ( 0.5000000 0.5000000 -0.3379176), wk = 0.0026316 k( 339) = ( 0.5000000 0.5000000 -0.3474518), wk = 0.0026316 k( 340) = ( 0.5000000 0.5000000 -0.3569861), wk = 0.0026316 k( 341) = ( 0.5000000 0.5000000 -0.3665203), wk = 0.0026316 k( 342) = ( 0.5000000 0.5000000 -0.3760546), wk = 0.0026316 k( 343) = ( 0.5000000 0.5000000 -0.3855889), wk = 0.0026316 k( 344) = ( 0.5000000 0.5000000 -0.3951231), wk = 0.0026316 k( 345) = ( 0.5000000 0.5000000 -0.4046574), wk = 0.0026316 k( 346) = ( 0.5000000 0.5000000 -0.4141916), wk = 0.0026316 k( 347) = ( 0.5000000 0.5000000 -0.4237259), wk = 0.0026316 k( 348) = ( 0.5000000 0.5000000 -0.4332602), wk = 0.0026316 k( 349) = ( 0.5000000 0.5000000 -0.4427944), wk = 0.0026316 k( 350) = ( 0.5000000 0.5000000 -0.4523287), wk = 0.0026316 k( 351) = ( 0.5000000 0.5000000 -0.4618629), wk = 0.0026316 k( 352) = ( 0.5000000 0.5000000 -0.4713972), wk = 0.0026316 k( 353) = ( 0.5000000 0.5000000 -0.4809315), wk = 0.0026316 k( 354) = ( 0.5000000 0.5000000 -0.4904657), wk = 0.0026316 k( 355) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026316 k( 356) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026316 k( 357) = ( 0.0104167 0.0104167 0.4895833), wk = 0.0026316 k( 358) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0026316 k( 359) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0026316 k( 360) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0026316 k( 361) = ( 0.0520833 0.0520833 0.4479167), wk = 0.0026316 k( 362) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0026316 k( 363) = ( 0.0729167 0.0729167 0.4270833), wk = 0.0026316 k( 364) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0026316 k( 365) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0026316 k( 366) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0026316 k( 367) = ( 0.1145833 0.1145833 0.3854167), wk = 0.0026316 k( 368) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026316 k( 369) = ( 0.1354167 0.1354167 0.3645833), wk = 0.0026316 k( 370) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0026316 k( 371) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0026316 k( 372) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0026316 k( 373) = ( 0.1770833 0.1770833 0.3229167), wk = 0.0026316 k( 374) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0026316 k( 375) = ( 0.1979167 0.1979167 0.3020833), wk = 0.0026316 k( 376) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0026316 k( 377) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0026316 k( 378) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0026316 k( 379) = ( 0.2395833 0.2395833 0.2604167), wk = 0.0026316 k( 380) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026316 Dense grid: 41913 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 18443 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.06 Mb ( 102, 40) NL pseudopotentials 0.08 Mb ( 51, 104) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 874) G-vector shells 0.00 Mb ( 422) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.25 Mb ( 102, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.13 Mb ( 104, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BPO4.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 42.4 secs Computing kpt #: 2 total cpu time spent up to now is 43.6 secs Computing kpt #: 3 total cpu time spent up to now is 44.8 secs Computing kpt #: 4 total cpu time spent up to now is 45.9 secs Computing kpt #: 5 total cpu time spent up to now is 46.9 secs Computing kpt #: 6 total cpu time spent up to now is 48.1 secs Computing kpt #: 7 total cpu time spent up to now is 49.2 secs Computing kpt #: 8 total cpu time spent up to now is 50.3 secs Computing kpt #: 9 total cpu time spent up to now is 51.4 secs Computing kpt #: 10 total cpu time spent up to now is 52.6 secs Computing kpt #: 11 total cpu time spent up to now is 53.7 secs Computing kpt #: 12 total cpu time spent up to now is 55.0 secs Computing kpt #: 13 total cpu time spent up to now is 56.1 secs Computing kpt #: 14 total cpu time spent up to now is 57.3 secs Computing kpt #: 15 total cpu time spent up to now is 58.4 secs Computing kpt #: 16 total cpu time spent up to now is 59.6 secs Computing kpt #: 17 total cpu time spent up to now is 60.7 secs Computing kpt #: 18 total cpu time spent up to now is 61.9 secs Computing kpt #: 19 total cpu time spent up to now is 63.0 secs Computing kpt #: 20 total cpu time spent up to now is 64.2 secs Computing kpt #: 21 total cpu time spent up to now is 65.3 secs Computing kpt #: 22 total cpu time spent up to now is 66.5 secs Computing kpt #: 23 total cpu time spent up to now is 67.6 secs Computing kpt #: 24 total cpu time spent up to now is 68.8 secs Computing kpt #: 25 total cpu time spent up to now is 69.9 secs Computing kpt #: 26 total cpu time spent up to now is 71.0 secs Computing kpt #: 27 total cpu time spent up to now is 72.2 secs Computing kpt #: 28 total cpu time spent up to now is 73.4 secs Computing kpt #: 29 total cpu time spent up to now is 74.7 secs Computing kpt #: 30 total cpu time spent up to now is 75.8 secs Computing kpt #: 31 total cpu time spent up to now is 77.0 secs Computing kpt #: 32 total cpu time spent up to now is 78.2 secs Computing kpt #: 33 total cpu time spent up to now is 79.4 secs Computing kpt #: 34 total cpu time spent up to now is 80.6 secs Computing kpt #: 35 total cpu time spent up to now is 81.8 secs Computing kpt #: 36 total cpu time spent up to now is 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Computing kpt #: 144 total cpu time spent up to now is 205.7 secs Computing kpt #: 145 total cpu time spent up to now is 206.8 secs Computing kpt #: 146 total cpu time spent up to now is 207.9 secs Computing kpt #: 147 total cpu time spent up to now is 209.0 secs Computing kpt #: 148 total cpu time spent up to now is 210.1 secs Computing kpt #: 149 total cpu time spent up to now is 211.2 secs Computing kpt #: 150 total cpu time spent up to now is 212.3 secs Computing kpt #: 151 total cpu time spent up to now is 213.3 secs Computing kpt #: 152 total cpu time spent up to now is 214.3 secs Computing kpt #: 153 total cpu time spent up to now is 215.3 secs Computing kpt #: 154 total cpu time spent up to now is 216.5 secs Computing kpt #: 155 total cpu time spent up to now is 217.5 secs Computing kpt #: 156 total cpu time spent up to now is 218.5 secs Computing kpt #: 157 total cpu time spent up to now is 219.6 secs Computing kpt #: 158 total cpu time spent up to now is 220.6 secs Computing kpt #: 159 total cpu time spent up to now is 221.7 secs Computing kpt #: 160 total cpu time spent up to now is 222.8 secs Computing kpt #: 161 total cpu time spent up to now is 223.8 secs Computing kpt #: 162 total cpu time spent up to now is 224.9 secs Computing kpt #: 163 total cpu time spent up to now is 225.9 secs Computing kpt #: 164 total cpu time spent up to now is 226.9 secs Computing kpt #: 165 total cpu time spent up to now is 228.0 secs Computing kpt #: 166 total cpu time spent up to now is 229.1 secs Computing kpt #: 167 total cpu time spent up to now is 230.1 secs Computing kpt #: 168 total cpu time spent up to now is 231.1 secs Computing kpt #: 169 total cpu time spent up to now is 232.1 secs Computing kpt #: 170 total cpu time spent up to now is 233.1 secs Computing kpt #: 171 total cpu time spent up to now is 234.2 secs Computing kpt #: 172 total cpu time spent up to now is 235.2 secs Computing kpt #: 173 total cpu time spent up to now is 236.2 secs Computing kpt #: 174 total cpu time spent up to now is 237.2 secs Computing kpt #: 175 total cpu time spent up to now is 238.2 secs Computing kpt #: 176 total cpu time spent up to now is 239.2 secs Computing kpt #: 177 total cpu time spent up to now is 240.2 secs Computing kpt #: 178 total cpu time spent up to now is 241.2 secs Computing kpt #: 179 total cpu time spent up to now is 242.2 secs Computing kpt #: 180 total cpu time spent up to now is 243.2 secs Computing kpt #: 181 total cpu time spent up to now is 244.1 secs Computing kpt #: 182 total cpu time spent up to now is 245.1 secs Computing kpt #: 183 total cpu time spent up to now is 246.1 secs Computing kpt #: 184 total cpu time spent up to now is 247.1 secs Computing kpt #: 185 total cpu time spent up to now is 248.1 secs Computing kpt #: 186 total cpu time spent up to now is 249.0 secs Computing kpt #: 187 total cpu time spent up to now is 250.0 secs Computing kpt #: 188 total cpu time spent up to now is 250.9 secs Computing kpt #: 189 total cpu time spent up to now is 251.8 secs Computing kpt #: 190 total cpu time spent up to now is 252.9 secs Computing kpt #: 191 total cpu time spent up to now is 253.8 secs Computing kpt #: 192 total cpu time spent up to now is 254.8 secs Computing kpt #: 193 total cpu time spent up to now is 255.8 secs Computing kpt #: 194 total cpu time spent up to now is 256.7 secs Computing kpt #: 195 total cpu time spent up to now is 258.5 secs Computing kpt #: 196 total cpu time spent up to now is 259.4 secs Computing kpt #: 197 total cpu time spent up to now is 260.4 secs Computing kpt #: 198 total cpu time spent up to now is 261.2 secs Computing kpt #: 199 total cpu time spent up to now is 262.1 secs Computing kpt #: 200 total cpu time spent up to now is 263.4 secs Computing kpt #: 201 total cpu time spent up to now is 264.9 secs Computing kpt #: 202 total cpu time spent up to now is 266.0 secs Computing kpt #: 203 total cpu time spent up to now is 267.0 secs Computing kpt #: 204 total cpu time spent up to now is 267.9 secs Computing kpt #: 205 total cpu time spent up to now is 268.9 secs Computing kpt #: 206 total cpu time spent up to now is 269.8 secs Computing kpt #: 207 total cpu time spent up to now is 270.8 secs Computing kpt #: 208 total cpu time spent up to now is 271.8 secs Computing kpt #: 209 total cpu time spent up to now is 272.8 secs Computing kpt #: 210 total cpu time spent up to now is 273.8 secs Computing kpt #: 211 total cpu time spent up to now is 274.8 secs Computing kpt #: 212 total cpu time spent up to now is 275.8 secs Computing kpt #: 213 total cpu time spent up to now is 277.0 secs Computing kpt #: 214 total cpu time spent up to now is 278.0 secs Computing kpt #: 215 total cpu time spent up to now is 279.1 secs Computing kpt #: 216 total cpu time spent up to now is 280.1 secs Computing kpt #: 217 total cpu time spent up to now is 281.2 secs Computing kpt #: 218 total cpu time spent up to now is 282.2 secs Computing kpt #: 219 total cpu time spent up to now is 283.2 secs Computing kpt #: 220 total cpu time spent up to now is 284.3 secs Computing kpt #: 221 total cpu time spent up to now is 285.4 secs Computing kpt #: 222 total cpu time spent up to now is 286.4 secs Computing kpt #: 223 total cpu time spent up to now is 287.5 secs Computing kpt #: 224 total cpu time spent up to now is 288.6 secs Computing kpt #: 225 total cpu time spent up to now is 289.7 secs Computing kpt #: 226 total cpu time spent up to now is 290.7 secs Computing kpt #: 227 total cpu time spent up to now is 291.8 secs Computing kpt #: 228 total cpu time spent up to now is 292.9 secs Computing kpt #: 229 total cpu time spent up to now is 294.0 secs Computing kpt #: 230 total cpu time spent up to now is 295.1 secs Computing kpt #: 231 total cpu time spent up to now is 296.2 secs Computing kpt #: 232 total cpu time spent up to now is 297.3 secs Computing kpt #: 233 total cpu time spent up to now is 298.4 secs Computing kpt #: 234 total cpu time spent up to now is 299.5 secs Computing kpt #: 235 total cpu time spent up to now is 300.6 secs Computing kpt #: 236 total cpu time spent up to now is 301.7 secs Computing kpt #: 237 total cpu time spent up to now is 302.8 secs Computing kpt #: 238 total cpu time spent up to now is 303.9 secs Computing kpt #: 239 total cpu time spent up to now is 305.1 secs Computing kpt #: 240 total cpu time spent up to now is 306.2 secs Computing kpt #: 241 total cpu time spent up to now is 307.3 secs Computing kpt #: 242 total cpu time spent up to now is 308.4 secs Computing kpt #: 243 total cpu time spent up to now is 309.6 secs Computing kpt #: 244 total cpu time spent up to now is 310.7 secs Computing kpt #: 245 total cpu time spent up to now is 311.9 secs Computing kpt #: 246 total cpu time spent up to now is 313.1 secs Computing kpt #: 247 total cpu time spent up to now is 314.2 secs Computing kpt #: 248 total cpu time spent up to now is 315.3 secs Computing kpt #: 249 total cpu time spent up to now is 316.4 secs Computing kpt #: 250 total cpu time spent up to now is 317.6 secs Computing kpt #: 251 total cpu time spent up to now is 318.7 secs Computing kpt #: 252 total cpu time spent up to now is 320.0 secs Computing kpt #: 253 total cpu time spent up to now is 321.2 secs Computing kpt #: 254 total cpu time spent up to now is 322.3 secs Computing kpt #: 255 total cpu time spent up to now is 323.4 secs Computing kpt #: 256 total cpu time spent up to now is 324.6 secs Computing kpt #: 257 total cpu time spent up to now is 325.8 secs Computing kpt #: 258 total cpu time spent up to now is 327.0 secs Computing kpt #: 259 total cpu time spent up to now is 328.1 secs Computing kpt #: 260 total cpu time spent up to now is 329.3 secs Computing kpt #: 261 total cpu time spent up to now is 330.4 secs Computing kpt #: 262 total cpu time spent up to now is 331.6 secs Computing kpt #: 263 total cpu time spent up to now is 332.7 secs Computing kpt #: 264 total cpu time spent up to now is 333.8 secs Computing kpt #: 265 total cpu time spent up to now is 334.9 secs Computing kpt #: 266 total cpu time spent up to now is 336.1 secs Computing kpt #: 267 total cpu time spent up to now is 337.3 secs Computing kpt #: 268 total cpu time spent up to now is 338.4 secs Computing kpt #: 269 total cpu time spent up to now is 339.5 secs Computing kpt #: 270 total cpu time spent up to now is 340.7 secs Computing kpt #: 271 total cpu time spent up to now is 341.9 secs Computing kpt #: 272 total cpu time spent up to now is 343.0 secs Computing kpt #: 273 total cpu time spent up to now is 344.2 secs Computing kpt #: 274 total cpu time spent up to now is 345.3 secs Computing kpt #: 275 total cpu time spent up to now is 346.8 secs Computing kpt #: 276 total cpu time spent up to now is 350.1 secs Computing kpt #: 277 total cpu time spent up to now is 351.2 secs Computing kpt #: 278 total cpu time spent up to now is 352.3 secs Computing kpt #: 279 total cpu time spent up to now is 354.5 secs Computing kpt #: 280 total cpu time spent up to now is 355.5 secs Computing kpt #: 281 total cpu time spent up to now is 357.1 secs Computing kpt #: 282 total cpu time spent up to now is 359.0 secs Computing kpt #: 283 total cpu time spent up to now is 360.4 secs Computing kpt #: 284 total cpu time spent up to now is 361.4 secs Computing kpt #: 285 total cpu time spent up to now is 362.3 secs Computing kpt #: 286 total cpu time spent up to now is 363.4 secs Computing kpt #: 287 total cpu time spent up to now is 364.4 secs Computing kpt #: 288 total cpu time spent up to now is 365.5 secs Computing kpt #: 289 total cpu time spent up to now is 366.6 secs Computing kpt #: 290 total cpu time spent up to now is 367.6 secs Computing kpt #: 291 total cpu time spent up to now is 368.7 secs Computing kpt #: 292 total cpu time spent up to now is 369.7 secs Computing kpt #: 293 total cpu time spent up to now is 370.8 secs Computing kpt #: 294 total cpu time spent up to now is 371.9 secs Computing kpt #: 295 total cpu time spent up to now is 372.9 secs Computing kpt #: 296 total cpu time spent up to now is 374.0 secs Computing kpt #: 297 total cpu time spent up to now is 375.0 secs Computing kpt #: 298 total cpu time spent up to now is 376.1 secs Computing kpt #: 299 total cpu time spent up to now is 377.1 secs Computing kpt #: 300 total cpu time spent up to now is 378.3 secs Computing kpt #: 301 total cpu time spent up to now is 379.4 secs Computing kpt #: 302 total cpu time spent up to now is 380.4 secs Computing kpt #: 303 total cpu time spent up to now is 381.5 secs Computing kpt #: 304 total cpu time spent up to now is 382.6 secs Computing kpt #: 305 total cpu time spent up to now is 383.6 secs Computing kpt #: 306 total cpu time spent up to now is 384.8 secs Computing kpt #: 307 total cpu time spent up to now is 385.9 secs Computing kpt #: 308 total cpu time spent up to now is 387.0 secs Computing kpt #: 309 total cpu time spent up to now is 388.1 secs Computing kpt #: 310 total cpu time spent up to now is 389.2 secs Computing kpt #: 311 total cpu time spent up to now is 390.4 secs Computing kpt #: 312 total cpu time spent up to now is 391.6 secs Computing kpt #: 313 total cpu time spent up to now is 392.7 secs Computing kpt #: 314 total cpu time spent up to now is 393.8 secs Computing kpt #: 315 total cpu time spent up to now is 394.9 secs Computing kpt #: 316 total cpu time spent up to now is 396.0 secs Computing kpt #: 317 total cpu time spent up to now is 397.2 secs Computing kpt #: 318 total cpu time spent up to now is 398.3 secs Computing kpt #: 319 total cpu time spent up to now is 399.3 secs Computing kpt #: 320 total cpu time spent up to now is 400.4 secs Computing kpt #: 321 total cpu time spent up to now is 401.5 secs Computing kpt #: 322 total cpu time spent up to now is 402.8 secs Computing kpt #: 323 total cpu time spent up to now is 403.9 secs Computing kpt #: 324 total cpu time spent up to now is 405.0 secs Computing kpt #: 325 total cpu time spent up to now is 406.1 secs Computing kpt #: 326 total cpu time spent up to now is 407.2 secs Computing kpt #: 327 total cpu time spent up to now is 408.2 secs Computing kpt #: 328 total cpu time spent up to now is 409.3 secs Computing kpt #: 329 total cpu time spent up to now is 410.4 secs Computing kpt #: 330 total cpu time spent up to now is 411.4 secs Computing kpt #: 331 total cpu time spent up to now is 412.5 secs Computing kpt #: 332 total cpu time spent up to now is 413.5 secs Computing kpt #: 333 total cpu time spent up to now is 414.4 secs Computing kpt #: 334 total cpu time spent up to now is 415.5 secs Computing kpt #: 335 total cpu time spent up to now is 416.5 secs Computing kpt #: 336 total cpu time spent up to now is 417.4 secs Computing kpt #: 337 total cpu time spent up to now is 418.4 secs Computing kpt #: 338 total cpu time spent up to now is 419.4 secs Computing kpt #: 339 total cpu time spent up to now is 421.3 secs Computing kpt #: 340 total cpu time spent up to now is 422.4 secs Computing kpt #: 341 total cpu time spent up to now is 423.4 secs Computing kpt #: 342 total cpu time spent up to now is 424.3 secs Computing kpt #: 343 total cpu time spent up to now is 425.3 secs Computing kpt #: 344 total cpu time spent up to now is 426.3 secs Computing kpt #: 345 total cpu time spent up to now is 427.4 secs Computing kpt #: 346 total cpu time spent up to now is 428.3 secs Computing kpt #: 347 total cpu time spent up to now is 429.3 secs Computing kpt #: 348 total cpu time spent up to now is 430.2 secs Computing kpt #: 349 total cpu time spent up to now is 431.1 secs Computing kpt #: 350 total cpu time spent up to now is 432.0 secs Computing kpt #: 351 total cpu time spent up to now is 433.0 secs Computing kpt #: 352 total cpu time spent up to now is 433.9 secs Computing kpt #: 353 total cpu time spent up to now is 435.0 secs Computing kpt #: 354 total cpu time spent up to now is 435.9 secs Computing kpt #: 355 total cpu time spent up to now is 436.8 secs Computing kpt #: 356 total cpu time spent up to now is 437.9 secs Computing kpt #: 357 total cpu time spent up to now is 439.1 secs Computing kpt #: 358 total cpu time spent up to now is 440.3 secs Computing kpt #: 359 total cpu time spent up to now is 441.5 secs Computing kpt #: 360 total cpu time spent up to now is 442.6 secs Computing kpt #: 361 total cpu time spent up to now is 443.8 secs Computing kpt #: 362 total cpu time spent up to now is 445.0 secs Computing kpt #: 363 total cpu time spent up to now is 446.1 secs Computing kpt #: 364 total cpu time spent up to now is 447.2 secs Computing kpt #: 365 total cpu time spent up to now is 448.4 secs Computing kpt #: 366 total cpu time spent up to now is 449.4 secs Computing kpt #: 367 total cpu time spent up to now is 450.6 secs Computing kpt #: 368 total cpu time spent up to now is 451.7 secs Computing kpt #: 369 total cpu time spent up to now is 452.8 secs Computing kpt #: 370 total cpu time spent up to now is 453.9 secs Computing kpt #: 371 total cpu time spent up to now is 455.0 secs Computing kpt #: 372 total cpu time spent up to now is 456.1 secs Computing kpt #: 373 total cpu time spent up to now is 457.2 secs Computing kpt #: 374 total cpu time spent up to now is 458.2 secs Computing kpt #: 375 total cpu time spent up to now is 459.3 secs Computing kpt #: 376 total cpu time spent up to now is 460.3 secs Computing kpt #: 377 total cpu time spent up to now is 461.4 secs Computing kpt #: 378 total cpu time spent up to now is 462.5 secs Computing kpt #: 379 total cpu time spent up to now is 463.6 secs Computing kpt #: 380 total cpu time spent up to now is 464.7 secs ethr = 3.13E-11, avg # of iterations = 33.2 total cpu time spent up to now is 464.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -18.2970 -18.2970 -14.9331 -14.9331 -14.9277 -14.9277 -14.7186 -14.7186 -7.9199 -7.9199 -4.1471 -4.1471 -4.1408 -4.1408 -3.4803 -3.4803 -0.3708 -0.3708 0.6440 0.6440 1.3250 1.3250 1.7015 1.7015 1.7252 1.7252 1.8571 1.8571 2.7086 2.7086 2.7179 2.7179 10.5098 10.5098 11.5382 11.5382 13.7517 13.7517 13.7799 13.7799 k = 0.0000 0.0000 0.0142 ( 2301 PWs) bands (ev): -18.2965 -18.2965 -14.9338 -14.9336 -14.9283 -14.9283 -14.7188 -14.7187 -7.9187 -7.9187 -4.1476 -4.1472 -4.1409 -4.1407 -3.4795 -3.4789 -0.3716 -0.3712 0.6445 0.6446 1.3250 1.3253 1.7008 1.7009 1.7245 1.7246 1.8562 1.8562 2.7086 2.7087 2.7178 2.7182 10.5123 10.5123 11.5393 11.5399 13.7506 13.7511 13.7789 13.7792 k = 0.0000 0.0000 0.0283 ( 2299 PWs) bands (ev): -18.2948 -18.2948 -14.9362 -14.9359 -14.9295 -14.9294 -14.7194 -14.7190 -7.9151 -7.9151 -4.1501 -4.1492 -4.1398 -4.1394 -3.4765 -3.4753 -0.3735 -0.3728 0.6461 0.6463 1.3252 1.3258 1.6985 1.6989 1.7226 1.7228 1.8534 1.8535 2.7087 2.7090 2.7179 2.7186 10.5200 10.5200 11.5431 11.5443 13.7478 13.7486 13.7764 13.7769 k = 0.0000 0.0000 0.0425 ( 2303 PWs) bands (ev): -18.2921 -18.2920 -14.9410 -14.9405 -14.9307 -14.9305 -14.7202 -14.7197 -7.9091 -7.9091 -4.1555 -4.1541 -4.1364 -4.1358 -3.4713 -3.4696 -0.3766 -0.3756 0.6487 0.6490 1.3254 1.3264 1.6943 1.6950 1.7200 1.7202 1.8488 1.8490 2.7089 2.7094 2.7182 2.7193 10.5327 10.5327 11.5497 11.5515 13.7427 13.7439 13.7727 13.7735 k = 0.0000 0.0000 0.0566 ( 2301 PWs) bands (ev): -18.2882 -18.2882 -14.9481 -14.9475 -14.9318 -14.9314 -14.7213 -14.7207 -7.9007 -7.9007 -4.1633 -4.1616 -4.1311 -4.1302 -3.4642 -3.4619 -0.3808 -0.3795 0.6524 0.6528 1.3256 1.3270 1.6877 1.6890 1.7172 1.7175 1.8424 1.8430 2.7091 2.7098 2.7188 2.7203 10.5503 10.5504 11.5590 11.5614 13.7351 13.7365 13.7683 13.7696 k = 0.0000 0.0000 0.0708 ( 2297 PWs) bands (ev): -18.2832 -18.2832 -14.9574 -14.9567 -14.9329 -14.9325 -14.7228 -14.7220 -7.8900 -7.8900 -4.1732 -4.1712 -4.1241 -4.1229 -3.4550 -3.4523 -0.3862 -0.3846 0.6572 0.6578 1.3253 1.3271 1.6786 1.6808 1.7146 1.7151 1.8344 1.8354 2.7092 2.7101 2.7198 2.7217 10.5729 10.5730 11.5710 11.5740 13.7246 13.7262 13.7638 13.7656 k = 0.0000 0.0000 0.0850 ( 2291 PWs) bands (ev): -18.2771 -18.2771 -14.9688 -14.9681 -14.9342 -14.9336 -14.7246 -14.7236 -7.8769 -7.8769 -4.1851 -4.1828 -4.1154 -4.1140 -3.4441 -3.4409 -0.3928 -0.3908 0.6631 0.6638 1.3242 1.3264 1.6671 1.6704 1.7122 1.7130 1.8249 1.8267 2.7092 2.7104 2.7213 2.7235 10.6003 10.6004 11.5855 11.5891 13.7110 13.7127 13.7595 13.7619 k = 0.0000 0.0000 0.0991 ( 2297 PWs) bands (ev): -18.2700 -18.2699 -14.9822 -14.9814 -14.9356 -14.9349 -14.7267 -14.7256 -7.8616 -7.8615 -4.1988 -4.1962 -4.1051 -4.1035 -3.4316 -3.4279 -0.4004 -0.3981 0.6701 0.6708 1.3218 1.3245 1.6535 1.6581 1.7097 1.7113 1.8143 1.8171 2.7091 2.7106 2.7233 2.7258 10.6324 10.6325 11.6024 11.6067 13.6946 13.6965 13.7553 13.7584 k = 0.0000 0.0000 0.1133 ( 2297 PWs) bands (ev): -18.2617 -18.2617 -14.9975 -14.9966 -14.9372 -14.9364 -14.7291 -14.7279 -7.8439 -7.8439 -4.2141 -4.2112 -4.0932 -4.0914 -3.4176 -3.4135 -0.4092 -0.4065 0.6782 0.6790 1.3175 1.3208 1.6384 1.6445 1.7070 1.7099 1.8029 1.8071 2.7089 2.7107 2.7257 2.7285 10.6689 10.6691 11.6217 11.6266 13.6756 13.6776 13.7514 13.7551 k = 0.0000 0.0000 0.1274 ( 2301 PWs) bands (ev): -18.2524 -18.2523 -15.0147 -15.0138 -14.9389 -14.9380 -14.7319 -14.7306 -7.8241 -7.8240 -4.2309 -4.2278 -4.0799 -4.0779 -3.4022 -3.3978 -0.4190 -0.4160 0.6874 0.6883 1.3108 1.3146 1.6219 1.6296 1.7036 1.7085 1.7916 1.7976 2.7087 2.7108 2.7286 2.7317 10.7098 10.7100 11.6433 11.6488 13.6542 13.6563 13.7478 13.7521 k = 0.0000 0.0000 0.1416 ( 2303 PWs) bands (ev): -18.2420 -18.2419 -15.0337 -15.0327 -14.9408 -14.9398 -14.7351 -14.7337 -7.8021 -7.8020 -4.2490 -4.2458 -4.0650 -4.0628 -3.3856 -3.3808 -0.4298 -0.4265 0.6976 0.6986 1.3010 1.3053 1.6043 1.6138 1.6991 1.7067 1.7813 1.7896 2.7085 2.7109 2.7319 2.7352 10.7548 10.7550 11.6669 11.6731 13.6307 13.6329 13.7446 13.7496 k = 0.0000 0.0000 0.1557 ( 2303 PWs) bands (ev): -18.2305 -18.2304 -15.0544 -15.0535 -14.9428 -14.9417 -14.7385 -14.7370 -7.7779 -7.7778 -4.2684 -4.2651 -4.0486 -4.0462 -3.3680 -3.3629 -0.4417 -0.4380 0.7088 0.7099 1.2875 1.2923 1.5856 1.5968 1.6931 1.7039 1.7734 1.7842 2.7082 2.7109 2.7356 2.7392 10.8037 10.8040 11.6924 11.6993 13.6052 13.6075 13.7419 13.7476 k = 0.0000 0.0000 0.1699 ( 2305 PWs) bands (ev): -18.2179 -18.2179 -15.0768 -15.0759 -14.9450 -14.9438 -14.7424 -14.7408 -7.7517 -7.7516 -4.2890 -4.2856 -4.0308 -4.0282 -3.3495 -3.3440 -0.4544 -0.4505 0.7211 0.7223 1.2702 1.2753 1.5659 1.5786 1.6853 1.6991 1.7696 1.7824 2.7080 2.7109 2.7397 2.7434 10.8564 10.8566 11.7197 11.7273 13.5780 13.5804 13.7398 13.7462 k = 0.0000 0.0000 0.1841 ( 2305 PWs) bands (ev): -18.2044 -18.2043 -15.1009 -15.0999 -14.9473 -14.9460 -14.7465 -14.7448 -7.7235 -7.7234 -4.3106 -4.3071 -4.0117 -4.0088 -3.3301 -3.3244 -0.4680 -0.4638 0.7343 0.7356 1.2487 1.2539 1.5448 1.5586 1.6761 1.6919 1.7709 1.7847 2.7078 2.7110 2.7440 2.7481 10.9124 10.9127 11.7486 11.7568 13.5493 13.5518 13.7386 13.7457 k = 0.0000 0.0000 0.1982 ( 2305 PWs) bands (ev): -18.1897 -18.1897 -15.1265 -15.1255 -14.9498 -14.9484 -14.7509 -14.7492 -7.6933 -7.6932 -4.3332 -4.3296 -3.9911 -3.9880 -3.3101 -3.3041 -0.4824 -0.4779 0.7484 0.7498 1.2232 1.2284 1.5221 1.5364 1.6662 1.6829 1.7769 1.7910 2.7075 2.7110 2.7487 2.7530 10.9717 10.9721 11.7790 11.7879 13.5194 13.5219 13.7384 13.7462 k = 0.0000 0.0000 0.2124 ( 2303 PWs) bands (ev): -18.1741 -18.1741 -15.1536 -15.1526 -14.9523 -14.9508 -14.7557 -14.7538 -7.6612 -7.6611 -4.3568 -4.3531 -3.9693 -3.9660 -3.2895 -3.2832 -0.4975 -0.4927 0.7633 0.7649 1.1939 1.1989 1.4975 1.5119 1.6561 1.6730 1.7872 1.8010 2.7073 2.7111 2.7537 2.7582 11.0339 11.0343 11.8105 11.8201 13.4883 13.4908 13.7393 13.7478 k = 0.0000 0.0000 0.2265 ( 2299 PWs) bands (ev): -18.1575 -18.1574 -15.1821 -15.1812 -14.9550 -14.9534 -14.7607 -14.7588 -7.6273 -7.6272 -4.3811 -4.3775 -3.9462 -3.9427 -3.2684 -3.2619 -0.5133 -0.5081 0.7790 0.7807 1.1611 1.1658 1.4709 1.4850 1.6463 1.6628 1.8010 1.8142 2.7070 2.7110 2.7588 2.7636 11.0988 11.0992 11.8431 11.8535 13.4563 13.4588 13.7415 13.7508 k = 0.0000 0.0000 0.2407 ( 2315 PWs) bands (ev): -18.1398 -18.1398 -15.2120 -15.2111 -14.9577 -14.9560 -14.7660 -14.7640 -7.5917 -7.5915 -4.4063 -4.4026 -3.9219 -3.9182 -3.2470 -3.2402 -0.5295 -0.5241 0.7954 0.7971 1.1254 1.1296 1.4422 1.4556 1.6370 1.6527 1.8177 1.8304 2.7067 2.7109 2.7642 2.7692 11.1660 11.1665 11.8766 11.8876 13.4236 13.4261 13.7452 13.7553 k = 0.0000 0.0000 0.2549 ( 2315 PWs) bands (ev): -18.1212 -18.1211 -15.2432 -15.2424 -14.9605 -14.9587 -14.7716 -14.7695 -7.5543 -7.5542 -4.4323 -4.4286 -3.8964 -3.8925 -3.2253 -3.2183 -0.5462 -0.5404 0.8122 0.8140 1.0870 1.0906 1.4115 1.4240 1.6282 1.6431 1.8370 1.8491 2.7062 2.7108 2.7698 2.7750 11.2352 11.2359 11.9108 11.9225 13.3904 13.3929 13.7504 13.7613 k = 0.0000 0.0000 0.2690 ( 2315 PWs) bands (ev): -18.1016 -18.1015 -15.2757 -15.2748 -14.9633 -14.9615 -14.7774 -14.7752 -7.5154 -7.5152 -4.4590 -4.4553 -3.8699 -3.8657 -3.2034 -3.1962 -0.5631 -0.5571 0.8294 0.8313 1.0464 1.0493 1.3790 1.3905 1.6200 1.6339 1.8583 1.8700 2.7057 2.7105 2.7755 2.7809 11.3062 11.3069 11.9455 11.9580 13.3569 13.3594 13.7574 13.7691 k = 0.0000 0.0000 0.2832 ( 2319 PWs) bands (ev): -18.0811 -18.0810 -15.3093 -15.3085 -14.9662 -14.9643 -14.7834 -14.7811 -7.4749 -7.4747 -4.4864 -4.4827 -3.8424 -3.8380 -3.1814 -3.1741 -0.5802 -0.5739 0.8468 0.8488 1.0040 1.0062 1.3449 1.3554 1.6123 1.6253 1.8816 1.8929 2.7050 2.7100 2.7812 2.7869 11.3786 11.3794 11.9807 11.9938 13.3233 13.3257 13.7661 13.7786 k = 0.0000 0.0000 0.2973 ( 2315 PWs) bands (ev): -18.0596 -18.0596 -15.3440 -15.3432 -14.9691 -14.9671 -14.7895 -14.7873 -7.4329 -7.4327 -4.5145 -4.5109 -3.8139 -3.8093 -3.1595 -3.1520 -0.5974 -0.5908 0.8641 0.8662 0.9601 0.9616 1.3093 1.3188 1.6052 1.6174 1.9063 1.9174 2.7042 2.7094 2.7871 2.7930 11.4519 11.4529 12.0162 12.0300 13.2898 13.2921 13.7765 13.7899 k = 0.0000 0.0000 0.3115 ( 2311 PWs) bands (ev): -18.0373 -18.0372 -15.3797 -15.3789 -14.9721 -14.9700 -14.7959 -14.7935 -7.3895 -7.3894 -4.5433 -4.5397 -3.7845 -3.7797 -3.1377 -3.1300 -0.6144 -0.6076 0.8811 0.8834 0.9151 0.9159 1.2724 1.2810 1.5989 1.6103 1.9324 1.9433 2.7032 2.7086 2.7930 2.7991 11.5260 11.5271 12.0519 12.0663 13.2566 13.2588 13.7888 13.8029 k = 0.0000 0.0000 0.3257 ( 2311 PWs) bands (ev): -18.0141 -18.0140 -15.4163 -15.4156 -14.9750 -14.9728 -14.8024 -14.8000 -7.3449 -7.3447 -4.5727 -4.5691 -3.7543 -3.7493 -3.1162 -3.1083 -0.6313 -0.6242 0.8685 0.8688 0.8984 0.9003 1.2345 1.2422 1.5934 1.6041 1.9596 1.9704 2.7019 2.7075 2.7989 2.8052 11.6002 11.6015 12.0877 12.1027 13.2238 13.2259 13.8027 13.8176 k = 0.0000 0.0000 0.3398 ( 2311 PWs) bands (ev): -17.9900 -17.9899 -15.4538 -15.4532 -14.9779 -14.9756 -14.8090 -14.8066 -7.2989 -7.2988 -4.6028 -4.5993 -3.7234 -3.7182 -3.0949 -3.0868 -0.6478 -0.6404 0.8211 0.8224 0.9141 0.9162 1.1957 1.2027 1.5890 1.5989 1.9876 1.9984 2.7003 2.7062 2.8048 2.8112 11.6743 11.6757 12.1237 12.1393 13.1916 13.1936 13.8183 13.8339 k = 0.0000 0.0000 0.3540 ( 2307 PWs) bands (ev): -17.9651 -17.9650 -15.4921 -15.4915 -14.9808 -14.9784 -14.8158 -14.8132 -7.2519 -7.2517 -4.6335 -4.6300 -3.6919 -3.6865 -3.0741 -3.0658 -0.6637 -0.6562 0.7732 0.7753 0.9288 0.9310 1.1562 1.1627 1.5858 1.5952 2.0163 2.0271 2.6984 2.7046 2.8106 2.8172 11.7477 11.7493 12.1600 12.1760 13.1601 13.1620 13.8353 13.8517 k = 0.0000 0.0000 0.3681 ( 2303 PWs) bands (ev): -17.9394 -17.9393 -15.5312 -15.5305 -14.9836 -14.9812 -14.8226 -14.8200 -7.2037 -7.2035 -4.6648 -4.6614 -3.6599 -3.6543 -3.0538 -3.0454 -0.6790 -0.6712 0.7250 0.7280 0.9421 0.9443 1.1162 1.1225 1.5843 1.5930 2.0455 2.0564 2.6962 2.7026 2.8163 2.8230 11.8200 11.8218 12.1965 12.2129 13.1296 13.1314 13.8535 13.8705 k = 0.0000 0.0000 0.3823 ( 2305 PWs) bands (ev): -17.9130 -17.9129 -15.5708 -15.5702 -14.9863 -14.9839 -14.8295 -14.8268 -7.1545 -7.1543 -4.6968 -4.6935 -3.6274 -3.6217 -3.0341 -3.0255 -0.6935 -0.6855 0.6767 0.6806 0.9535 0.9558 1.0760 1.0823 1.5845 1.5926 2.0750 2.0860 2.6937 2.7003 2.8217 2.8286 11.8906 11.8927 12.2335 12.2502 13.1002 13.1018 13.8726 13.8903 k = 0.0000 0.0000 0.3965 ( 2311 PWs) bands (ev): -17.8858 -17.8857 -15.6110 -15.6104 -14.9890 -14.9865 -14.8364 -14.8337 -7.1043 -7.1042 -4.7295 -4.7262 -3.5946 -3.5887 -3.0151 -3.0064 -0.7071 -0.6988 0.6285 0.6333 0.9626 0.9652 1.0358 1.0427 1.5868 1.5944 2.1046 2.1157 2.6908 2.6977 2.8270 2.8340 11.9589 11.9612 12.2711 12.2880 13.0720 13.0736 13.8922 13.9105 k = 0.0000 0.0000 0.4106 ( 2315 PWs) bands (ev): -17.8580 -17.8579 -15.6517 -15.6511 -14.9916 -14.9890 -14.8433 -14.8406 -7.0534 -7.0532 -4.7628 -4.7596 -3.5616 -3.5554 -2.9969 -2.9881 -0.7195 -0.7110 0.5803 0.5860 0.9678 0.9718 0.9963 1.0049 1.5914 1.5985 2.1341 2.1454 2.6876 2.6948 2.8321 2.8392 12.0243 12.0270 12.3097 12.3265 13.0452 13.0467 13.9119 13.9307 k = 0.0000 0.0000 0.4248 ( 2319 PWs) bands (ev): -17.8295 -17.8294 -15.6927 -15.6922 -14.9941 -14.9915 -14.8503 -14.8474 -7.0016 -7.0014 -4.7967 -4.7936 -3.5285 -3.5221 -2.9796 -2.9706 -0.7307 -0.7220 0.5323 0.5390 0.9541 0.9570 0.9777 0.9825 1.5984 1.6050 2.1634 2.1750 2.6841 2.6915 2.8368 2.8440 12.0864 12.0893 12.3494 12.3660 13.0200 13.0214 13.9313 13.9506 k = 0.0000 0.0000 0.4389 ( 2319 PWs) bands (ev): -17.8005 -17.8004 -15.7340 -15.7336 -14.9964 -14.9938 -14.8571 -14.8543 -6.9491 -6.9489 -4.8313 -4.8283 -3.4953 -3.4888 -2.9632 -2.9542 -0.7405 -0.7315 0.4846 0.4921 0.9166 0.9219 0.9790 0.9806 1.6080 1.6142 2.1922 2.2041 2.6802 2.6880 2.8413 2.8485 12.1444 12.1478 12.3904 12.4066 12.9964 12.9978 13.9498 13.9695 k = 0.0000 0.0000 0.4531 ( 2313 PWs) bands (ev): -17.7709 -17.7708 -15.7756 -15.7751 -14.9987 -14.9960 -14.8640 -14.8611 -6.8960 -6.8959 -4.8666 -4.8637 -3.4622 -3.4555 -2.9479 -2.9388 -0.7487 -0.7396 0.4371 0.4455 0.8791 0.8856 0.9780 0.9789 1.6202 1.6259 2.2204 2.2327 2.6762 2.6843 2.8453 2.8526 12.1982 12.2020 12.4328 12.4484 12.9746 12.9761 13.9669 13.9869 k = 0.0000 0.0000 0.4672 ( 2309 PWs) bands (ev): -17.7409 -17.7408 -15.8172 -15.8168 -15.0008 -14.9980 -14.8707 -14.8678 -6.8424 -6.8422 -4.9026 -4.8997 -3.4293 -3.4224 -2.9338 -2.9246 -0.7553 -0.7459 0.3898 0.3991 0.8429 0.8502 0.9744 0.9749 1.6349 1.6401 2.2478 2.2604 2.6720 2.6804 2.8490 2.8563 12.2476 12.2518 12.4763 12.4911 12.9547 12.9564 13.9818 14.0021 k = 0.0000 0.0000 0.4814 ( 2301 PWs) bands (ev): -17.7105 -17.7104 -15.8588 -15.8584 -15.0027 -15.0000 -14.8774 -14.8745 -6.7883 -6.7881 -4.9392 -4.9365 -3.3967 -3.3897 -2.9208 -2.9116 -0.7600 -0.7505 0.3427 0.3528 0.8083 0.8164 0.9681 0.9685 1.6518 1.6567 2.2740 2.2870 2.6679 2.6766 2.8522 2.8595 12.2926 12.2974 12.5204 12.5343 12.9370 12.9388 13.9941 14.0145 k = 0.0000 0.0000 0.4956 ( 2294 PWs) bands (ev): -17.6798 -17.6797 -15.9003 -15.8999 -15.0045 -15.0017 -14.8839 -14.8810 -6.7338 -6.7337 -4.9766 -4.9739 -3.3646 -3.3574 -2.9091 -2.8998 -0.7628 -0.7531 0.2958 0.3067 0.7758 0.7844 0.9593 0.9598 1.6709 1.6754 2.2989 2.3122 2.6640 2.6730 2.8549 2.8623 12.3338 12.3390 12.5645 12.5775 12.9214 12.9235 14.0032 14.0236 k = 0.0000 0.0000 0.5097 ( 2298 PWs) bands (ev): -17.6488 -17.6487 -15.9416 -15.9412 -15.0061 -15.0033 -14.8903 -14.8874 -6.6791 -6.6789 -5.0146 -5.0121 -3.3330 -3.3257 -2.8987 -2.8894 -0.7636 -0.7537 0.2490 0.2606 0.7455 0.7546 0.9483 0.9489 1.6918 1.6960 2.3220 2.3356 2.6605 2.6698 2.8571 2.8644 12.3714 12.3769 12.6078 12.6202 12.9081 12.9106 14.0084 14.0287 k = 0.0000 0.0000 0.5239 ( 2302 PWs) bands (ev): -17.6178 -17.6177 -15.9825 -15.9821 -15.0076 -15.0048 -14.8965 -14.8936 -6.6242 -6.6240 -5.0533 -5.0509 -3.3020 -3.2946 -2.8896 -2.8803 -0.7623 -0.7521 0.2023 0.2144 0.7177 0.7272 0.9352 0.9362 1.7142 1.7181 2.3431 2.3569 2.6578 2.6674 2.8587 2.8659 12.4058 12.4115 12.6499 12.6617 12.8972 12.9001 14.0094 14.0296 k = 0.0000 0.0000 0.5380 ( 2306 PWs) bands (ev): -17.5868 -17.5867 -16.0228 -16.0225 -15.0088 -15.0061 -14.9026 -14.8997 -6.5692 -6.5690 -5.0927 -5.0904 -3.2719 -3.2643 -2.8820 -2.8726 -0.7586 -0.7483 0.1557 0.1683 0.6925 0.7024 0.9205 0.9218 1.7378 1.7414 2.3616 2.3756 2.6563 2.6659 2.8596 2.8668 12.4372 12.4430 12.6902 12.7016 12.8889 12.8922 14.0061 14.0259 k = 0.0000 0.0000 0.5522 ( 2310 PWs) bands (ev): -17.5559 -17.5558 -16.0625 -16.0621 -15.0099 -15.0072 -14.9084 -14.9055 -6.5142 -6.5140 -5.1327 -5.1305 -3.2426 -3.2349 -2.8757 -2.8663 -0.7527 -0.7422 0.1091 0.1221 0.6703 0.6804 0.9044 0.9060 1.7623 1.7657 2.3773 2.3912 2.6563 2.6659 2.8599 2.8671 12.4659 12.4715 12.7286 12.7396 12.8831 12.8869 13.9982 14.0177 k = 0.0000 0.0000 0.5664 ( 2306 PWs) bands (ev): -17.5253 -17.5252 -16.1012 -16.1009 -15.0108 -15.0081 -14.9139 -14.9111 -6.4593 -6.4591 -5.1734 -5.1713 -3.2142 -3.2065 -2.8707 -2.8615 -0.7444 -0.7337 0.0625 0.0758 0.6510 0.6612 0.8871 0.8891 1.7874 1.7906 2.3898 2.4033 2.6585 2.6677 2.8596 2.8666 12.4918 12.4972 12.7647 12.7757 12.8798 12.8841 13.9860 14.0050 k = 0.0000 0.0000 0.5805 ( 2310 PWs) bands (ev): -17.4953 -17.4952 -16.1389 -16.1387 -15.0115 -15.0089 -14.9192 -14.9165 -6.4047 -6.4045 -5.2146 -5.2127 -3.1869 -3.1792 -2.8672 -2.8580 -0.7336 -0.7227 0.0161 0.0296 0.6348 0.6450 0.8690 0.8713 1.8128 1.8158 2.3987 2.4116 2.6629 2.6715 2.8585 2.8654 12.5150 12.5199 12.7988 12.8097 12.8790 12.8837 13.9698 13.9881 k = 0.0000 0.0000 0.5947 ( 2314 PWs) bands (ev): -17.4660 -17.4659 -16.1753 -16.1750 -15.0121 -15.0096 -14.9242 -14.9216 -6.3505 -6.3502 -5.2563 -5.2545 -3.1608 -3.1530 -2.8650 -2.8559 -0.7203 -0.7093 -0.0302 -0.0165 0.6216 0.6316 0.8503 0.8529 1.8382 1.8410 2.4042 2.4160 2.6697 2.6774 2.8566 2.8634 12.5353 12.5397 12.8306 12.8416 12.8807 12.8856 13.9501 13.9676 k = 0.0000 0.0000 0.6088 ( 2318 PWs) bands (ev): -17.4377 -17.4376 -16.2100 -16.2098 -15.0125 -15.0101 -14.9289 -14.9264 -6.2968 -6.2966 -5.2984 -5.2967 -3.1359 -3.1282 -2.8641 -2.8551 -0.7046 -0.6934 -0.0762 -0.0625 0.6114 0.6212 0.8313 0.8342 1.8632 1.8658 2.4063 2.4170 2.6786 2.6853 2.8540 2.8606 12.5528 12.5568 12.8593 12.8693 12.8863 12.8907 13.9275 13.9442 k = 0.0000 0.0000 0.6230 ( 2316 PWs) bands (ev): -17.4106 -17.4106 -16.2428 -16.2426 -15.0127 -15.0104 -14.9332 -14.9308 -6.2440 -6.2437 -5.3407 -5.3391 -3.1125 -3.1048 -2.8644 -2.8556 -0.6864 -0.6750 -0.1219 -0.1082 0.6041 0.6135 0.8122 0.8154 1.8876 1.8900 2.4054 2.4149 2.6893 2.6949 2.8505 2.8570 12.5677 12.5713 12.8791 12.8839 12.9014 12.9076 13.9030 13.9187 k = 0.0000 0.0000 0.6372 ( 2316 PWs) bands (ev): -17.3853 -17.3852 -16.2733 -16.2731 -15.0128 -15.0107 -14.9371 -14.9349 -6.1923 -6.1920 -5.3830 -5.3815 -3.0905 -3.0829 -2.8658 -2.8573 -0.6657 -0.6541 -0.1671 -0.1534 0.5994 0.6085 0.7933 0.7968 1.9109 1.9131 2.4023 2.4104 2.7012 2.7059 2.8462 2.8525 12.5801 12.5833 12.8870 12.8910 12.9251 12.9337 13.8774 13.8920 k = 0.0000 0.0000 0.6513 ( 2324 PWs) bands (ev): -17.3619 -17.3618 -16.3012 -16.3010 -15.0128 -15.0108 -14.9405 -14.9385 -6.1422 -6.1418 -5.4249 -5.4235 -3.0701 -3.0628 -2.8682 -2.8601 -0.6426 -0.6309 -0.2116 -0.1981 0.5973 0.6059 0.7751 0.7787 1.9327 1.9347 2.3974 2.4042 2.7139 2.7178 2.8412 2.8472 12.5904 12.5931 12.8923 12.8961 12.9505 12.9593 13.8518 13.8650 k = 0.0000 0.0000 0.6655 ( 2328 PWs) bands (ev): -17.3410 -17.3410 -16.3258 -16.3257 -15.0126 -15.0109 -14.9435 -14.9418 -6.0942 -6.0938 -5.4658 -5.4646 -3.0516 -3.0447 -2.8713 -2.8638 -0.6171 -0.6052 -0.2554 -0.2420 0.5975 0.6054 0.7577 0.7614 1.9526 1.9544 2.3915 2.3972 2.7269 2.7303 2.8353 2.8410 12.5986 12.6009 12.8969 12.9003 12.9748 12.9830 13.8273 13.8390 k = 0.0000 0.0000 0.6796 ( 2328 PWs) bands (ev): -17.3231 -17.3230 -16.3469 -16.3468 -15.0124 -15.0110 -14.9460 -14.9445 -6.0493 -6.0489 -5.5048 -5.5037 -3.0351 -3.0288 -2.8749 -2.8681 -0.5893 -0.5773 -0.2983 -0.2849 0.5995 0.6066 0.7418 0.7455 1.9701 1.9716 2.3854 2.3899 2.7397 2.7428 2.8286 2.8340 12.6052 12.6071 12.9008 12.9037 12.9968 13.0041 13.8052 13.8150 k = 0.0000 0.0000 0.6938 ( 2328 PWs) bands (ev): -17.3085 -17.3084 -16.3639 -16.3639 -15.0122 -15.0111 -14.9479 -14.9467 -6.0090 -6.0087 -5.5404 -5.5395 -3.0210 -3.0157 -2.8784 -2.8727 -0.5594 -0.5472 -0.3400 -0.3269 0.6029 0.6088 0.7279 0.7313 1.9845 1.9857 2.3798 2.3831 2.7521 2.7551 2.8214 2.8263 12.6102 12.6116 12.9041 12.9063 13.0156 13.0215 13.7865 13.7943 k = 0.0000 0.0000 0.7080 ( 2328 PWs) bands (ev): -17.2977 -17.2976 -16.3765 -16.3764 -15.0119 -15.0112 -14.9492 -14.9484 -5.9758 -5.9755 -5.5701 -5.5695 -3.0099 -3.0059 -2.8813 -2.8771 -0.5273 -0.5150 -0.3805 -0.3675 0.6069 0.6113 0.7170 0.7197 1.9955 1.9963 2.3753 2.3775 2.7635 2.7666 2.8138 2.8182 12.6137 12.6147 12.9065 12.9080 13.0303 13.0345 13.7726 13.7780 k = 0.0000 0.0000 0.7221 ( 2328 PWs) bands (ev): -17.2910 -17.2910 -16.3841 -16.3841 -15.0117 -15.0113 -14.9499 -14.9495 -5.9532 -5.9530 -5.5906 -5.5902 -3.0023 -3.0002 -2.8829 -2.8807 -0.4933 -0.4809 -0.4196 -0.4068 0.6106 0.6130 0.7101 0.7117 2.0024 2.0028 2.3726 2.3737 2.7733 2.7757 2.8072 2.8103 12.6159 12.6164 12.9081 12.9088 13.0400 13.0421 13.7644 13.7671 k = 0.0000 0.0000 0.7363 ( 2328 PWs) bands (ev): -17.2888 -17.2888 -16.3867 -16.3867 -15.0115 -15.0115 -14.9501 -14.9501 -5.9450 -5.9450 -5.5979 -5.5979 -2.9989 -2.9989 -2.8828 -2.8828 -0.4581 -0.4581 -0.4438 -0.4438 0.6128 0.6128 0.7082 0.7082 2.0049 2.0049 2.3720 2.3720 2.7788 2.7788 2.8052 2.8052 12.6168 12.6168 12.9089 12.9089 13.0440 13.0440 13.7625 13.7625 k = 0.0000 0.0000 0.7363 ( 2328 PWs) bands (ev): -17.2888 -17.2888 -16.3867 -16.3867 -15.0115 -15.0115 -14.9501 -14.9501 -5.9450 -5.9450 -5.5979 -5.5979 -2.9989 -2.9989 -2.8828 -2.8828 -0.4581 -0.4581 -0.4438 -0.4438 0.6128 0.6128 0.7082 0.7082 2.0049 2.0049 2.3720 2.3720 2.7788 2.7788 2.8052 2.8052 12.6168 12.6168 12.9089 12.9089 13.0440 13.0440 13.7625 13.7625 k =-0.0097 0.0105 0.7363 ( 2324 PWs) bands (ev): -17.2888 -17.2888 -16.3867 -16.3865 -15.0115 -15.0115 -14.9503 -14.9500 -5.9443 -5.9443 -5.5975 -5.5970 -2.9995 -2.9989 -2.8835 -2.8830 -0.4640 -0.4546 -0.4478 -0.4384 0.6126 0.6133 0.7080 0.7085 2.0048 2.0050 2.3724 2.3726 2.7750 2.7771 2.8052 2.8078 12.6161 12.6170 12.9086 12.9096 13.0427 13.0437 13.7623 13.7630 k =-0.0195 0.0210 0.7363 ( 2324 PWs) bands (ev): -17.2888 -17.2888 -16.3867 -16.3863 -15.0117 -15.0117 -14.9508 -14.9502 -5.9424 -5.9422 -5.5958 -5.5949 -3.0007 -2.9995 -2.8852 -2.8842 -0.4705 -0.4585 -0.4452 -0.4332 0.6128 0.6142 0.7076 0.7086 2.0049 2.0053 2.3738 2.3742 2.7673 2.7703 2.8071 2.8112 12.6148 12.6164 12.9087 12.9108 13.0397 13.0418 13.7623 13.7638 k =-0.0292 0.0315 0.7363 ( 2324 PWs) bands (ev): -17.2888 -17.2888 -16.3866 -16.3859 -15.0120 -15.0119 -14.9515 -14.9507 -5.9390 -5.9388 -5.5928 -5.5916 -3.0026 -3.0007 -2.8879 -2.8864 -0.4775 -0.4650 -0.4408 -0.4284 0.6133 0.6154 0.7073 0.7087 2.0051 2.0057 2.3761 2.3767 2.7571 2.7603 2.8093 2.8141 12.6127 12.6152 12.9093 12.9124 13.0351 13.0382 13.7626 13.7648 k =-0.0389 0.0421 0.7363 ( 2320 PWs) bands (ev): -17.2889 -17.2889 -16.3863 -16.3855 -15.0124 -15.0123 -14.9525 -14.9513 -5.9344 -5.9341 -5.5887 -5.5869 -3.0050 -3.0024 -2.8915 -2.8895 -0.4848 -0.4722 -0.4365 -0.4240 0.6141 0.6169 0.7068 0.7087 2.0053 2.0062 2.3793 2.3800 2.7449 2.7480 2.8108 2.8161 12.6100 12.6132 12.9105 12.9146 13.0290 13.0330 13.7630 13.7658 k =-0.0486 0.0526 0.7363 ( 2312 PWs) bands (ev): -17.2889 -17.2889 -16.3860 -16.3850 -15.0129 -15.0128 -14.9536 -14.9522 -5.9285 -5.9281 -5.5833 -5.5811 -3.0079 -3.0048 -2.8961 -2.8936 -0.4923 -0.4796 -0.4326 -0.4200 0.6153 0.6186 0.7063 0.7087 2.0056 2.0067 2.3834 2.3842 2.7310 2.7338 2.8113 2.8170 12.6065 12.6103 12.9125 12.9174 13.0214 13.0263 13.7635 13.7669 k =-0.0584 0.0631 0.7363 ( 2314 PWs) bands (ev): -17.2890 -17.2889 -16.3856 -16.3843 -15.0136 -15.0134 -14.9550 -14.9533 -5.9213 -5.9208 -5.5767 -5.5741 -3.0115 -3.0077 -2.9015 -2.8985 -0.5000 -0.4873 -0.4291 -0.4165 0.6167 0.6206 0.7057 0.7085 2.0058 2.0071 2.3882 2.3890 2.7155 2.7180 2.8108 2.8168 12.6021 12.6065 12.9153 12.9210 13.0124 13.0182 13.7638 13.7679 k =-0.0681 0.0736 0.7363 ( 2306 PWs) bands (ev): -17.2891 -17.2890 -16.3850 -16.3836 -15.0143 -15.0141 -14.9566 -14.9546 -5.9128 -5.9123 -5.5690 -5.5660 -3.0156 -3.0112 -2.9078 -2.9044 -0.5079 -0.4950 -0.4260 -0.4133 0.6183 0.6229 0.7050 0.7083 2.0059 2.0075 2.3936 2.3943 2.6987 2.7007 2.8092 2.8155 12.5968 12.6018 12.9191 12.9253 13.0022 13.0089 13.7639 13.7685 k =-0.0778 0.0841 0.7363 ( 2306 PWs) bands (ev): -17.2891 -17.2891 -16.3844 -16.3828 -15.0151 -15.0149 -14.9583 -14.9561 -5.9032 -5.9026 -5.5601 -5.5567 -3.0202 -3.0152 -2.9149 -2.9110 -0.5157 -0.5028 -0.4232 -0.4104 0.6202 0.6253 0.7042 0.7078 2.0058 2.0076 2.3993 2.3999 2.6807 2.6821 2.8066 2.8132 12.5906 12.5960 12.9236 12.9302 12.9910 12.9986 13.7636 13.7687 k =-0.0875 0.0946 0.7363 ( 2306 PWs) bands (ev): -17.2892 -17.2892 -16.3838 -16.3820 -15.0160 -15.0157 -14.9603 -14.9578 -5.8925 -5.8918 -5.5502 -5.5464 -3.0254 -3.0197 -2.9228 -2.9184 -0.5235 -0.5105 -0.4206 -0.4078 0.6223 0.6279 0.7033 0.7073 2.0054 2.0074 2.4050 2.4056 2.6617 2.6625 2.8030 2.8100 12.5834 12.5891 12.9284 12.9349 12.9799 12.9882 13.7628 13.7683 k =-0.0973 0.1051 0.7363 ( 2310 PWs) bands (ev): -17.2894 -17.2893 -16.3830 -16.3811 -15.0169 -15.0167 -14.9624 -14.9597 -5.8807 -5.8799 -5.5393 -5.5351 -3.0310 -3.0248 -2.9314 -2.9265 -0.5310 -0.5180 -0.4182 -0.4053 0.6246 0.6306 0.7022 0.7066 2.0045 2.0067 2.4101 2.4111 2.6419 2.6428 2.7987 2.8060 12.5753 12.5813 12.9320 12.9370 12.9710 12.9795 13.7612 13.7672 k =-0.1070 0.1156 0.7363 ( 2306 PWs) bands (ev): -17.2895 -17.2894 -16.3822 -16.3801 -15.0179 -15.0177 -14.9646 -14.9617 -5.8679 -5.8670 -5.5274 -5.5229 -3.0371 -3.0303 -2.9406 -2.9352 -0.5383 -0.5252 -0.4159 -0.4030 0.6269 0.6334 0.7011 0.7057 2.0031 2.0055 2.4138 2.4157 2.6216 2.6236 2.7938 2.8014 12.5664 12.5725 12.9298 12.9326 12.9688 12.9767 13.7588 13.7651 k =-0.1167 0.1262 0.7363 ( 2302 PWs) bands (ev): -17.2897 -17.2896 -16.3813 -16.3790 -15.0190 -15.0187 -14.9670 -14.9639 -5.8542 -5.8532 -5.5147 -5.5097 -3.0436 -3.0362 -2.9503 -2.9445 -0.5452 -0.5320 -0.4137 -0.4007 0.6294 0.6362 0.6997 0.7047 2.0008 2.0035 2.4152 2.4184 2.6022 2.6058 2.7884 2.7964 12.5568 12.5630 12.9182 12.9228 12.9740 12.9819 13.7554 13.7620 k =-0.1264 0.1367 0.7363 ( 2298 PWs) bands (ev): -17.2899 -17.2898 -16.3804 -16.3779 -15.0201 -15.0198 -14.9696 -14.9662 -5.8396 -5.8386 -5.5011 -5.4958 -3.0504 -3.0425 -2.9606 -2.9544 -0.5516 -0.5384 -0.4114 -0.3984 0.6318 0.6391 0.6982 0.7034 1.9976 2.0005 2.4129 2.4176 2.5852 2.5907 2.7828 2.7910 12.5467 12.5529 12.9023 12.9087 12.9837 12.9919 13.7509 13.7578 k =-0.1362 0.1472 0.7363 ( 2298 PWs) bands (ev): -17.2901 -17.2900 -16.3794 -16.3768 -15.0212 -15.0209 -14.9722 -14.9686 -5.8242 -5.8231 -5.4868 -5.4811 -3.0577 -3.0492 -2.9712 -2.9646 -0.5574 -0.5442 -0.4090 -0.3959 0.6343 0.6419 0.6966 0.7020 1.9933 1.9964 2.4051 2.4115 2.5723 2.5798 2.7770 2.7855 12.5361 12.5423 12.8846 12.8921 12.9960 13.0043 13.7452 13.7523 k =-0.1459 0.1577 0.7363 ( 2292 PWs) bands (ev): -17.2903 -17.2902 -16.3784 -16.3757 -15.0224 -15.0220 -14.9749 -14.9711 -5.8082 -5.8070 -5.4718 -5.4657 -3.0652 -3.0562 -2.9822 -2.9752 -0.5625 -0.5493 -0.4063 -0.3932 0.6368 0.6446 0.6948 0.7004 1.9876 1.9910 2.3908 2.3985 2.5653 2.5742 2.7713 2.7802 12.5252 12.5314 12.8659 12.8741 13.0100 13.0183 13.7383 13.7456 k =-0.1556 0.1682 0.7363 ( 2294 PWs) bands (ev): -17.2906 -17.2905 -16.3774 -16.3745 -15.0236 -15.0232 -14.9777 -14.9738 -5.7915 -5.7903 -5.4562 -5.4498 -3.0730 -3.0636 -2.9934 -2.9861 -0.5669 -0.5536 -0.4033 -0.3903 0.6391 0.6473 0.6928 0.6986 1.9803 1.9839 2.3701 2.3784 2.5641 2.5739 2.7659 2.7751 12.5143 12.5204 12.8465 12.8552 13.0252 13.0334 13.7300 13.7375 k =-0.1653 0.1787 0.7363 ( 2298 PWs) bands (ev): -17.2909 -17.2908 -16.3763 -16.3733 -15.0248 -15.0243 -14.9805 -14.9765 -5.7744 -5.7730 -5.4401 -5.4334 -3.0810 -3.0711 -3.0047 -2.9971 -0.5705 -0.5571 -0.4000 -0.3869 0.6413 0.6498 0.6907 0.6966 1.9713 1.9751 2.3437 2.3522 2.5678 2.5779 2.7609 2.7704 12.5034 12.5095 12.8267 12.8357 13.0412 13.0494 13.7203 13.7280 k =-0.1751 0.1892 0.7363 ( 2298 PWs) bands (ev): -17.2912 -17.2911 -16.3752 -16.3721 -15.0259 -15.0255 -14.9834 -14.9792 -5.7568 -5.7554 -5.4236 -5.4166 -3.0891 -3.0789 -3.0161 -3.0082 -0.5730 -0.5596 -0.3961 -0.3830 0.6434 0.6521 0.6884 0.6945 1.9604 1.9644 2.3129 2.3212 2.5751 2.5852 2.7567 2.7664 12.4928 12.4988 12.8066 12.8159 13.0580 13.0660 13.7092 13.7171 k =-0.1848 0.1997 0.7363 ( 2302 PWs) bands (ev): -17.2916 -17.2915 -16.3741 -16.3709 -15.0271 -15.0266 -14.9864 -14.9820 -5.7389 -5.7375 -5.4068 -5.3995 -3.0973 -3.0868 -3.0274 -3.0194 -0.5746 -0.5612 -0.3917 -0.3786 0.6452 0.6542 0.6860 0.6922 1.9472 1.9515 2.2786 2.2866 2.5848 2.5947 2.7532 2.7632 12.4826 12.4885 12.7865 12.7961 13.0751 13.0830 13.6967 13.7047 k =-0.1945 0.2103 0.7363 ( 2298 PWs) bands (ev): -17.2920 -17.2919 -16.3730 -16.3697 -15.0282 -15.0277 -14.9893 -14.9848 -5.7209 -5.7194 -5.3897 -5.3821 -3.1055 -3.0947 -3.0386 -3.0304 -0.5751 -0.5616 -0.3865 -0.3735 0.6467 0.6560 0.6836 0.6899 1.9319 1.9363 2.2414 2.2491 2.5962 2.6059 2.7508 2.7609 12.4729 12.4788 12.7666 12.7763 13.0925 13.1002 13.6829 13.6910 k =-0.2042 0.2208 0.7363 ( 2294 PWs) bands (ev): -17.2924 -17.2923 -16.3719 -16.3685 -15.0293 -15.0288 -14.9922 -14.9877 -5.7027 -5.7011 -5.3724 -5.3647 -3.1136 -3.1027 -3.0496 -3.0413 -0.5744 -0.5609 -0.3807 -0.3676 0.6479 0.6576 0.6811 0.6876 1.9141 1.9186 2.2018 2.2092 2.6088 2.6182 2.7494 2.7597 12.4639 12.4698 12.7470 12.7569 13.1098 13.1173 13.6677 13.6760 k =-0.2140 0.2313 0.7363 ( 2294 PWs) bands (ev): -17.2929 -17.2928 -16.3708 -16.3673 -15.0303 -15.0298 -14.9951 -14.9905 -5.6845 -5.6829 -5.3551 -5.3471 -3.1217 -3.1107 -3.0603 -3.0520 -0.5725 -0.5590 -0.3740 -0.3610 0.6486 0.6587 0.6787 0.6853 1.8939 1.8985 2.1601 2.1673 2.6221 2.6313 2.7492 2.7596 12.4557 12.4616 12.7279 12.7379 13.1270 13.1343 13.6513 13.6596 k =-0.2140 0.2313 0.7363 ( 2294 PWs) bands (ev): -17.2929 -17.2928 -16.3708 -16.3673 -15.0303 -15.0298 -14.9951 -14.9905 -5.6845 -5.6829 -5.3551 -5.3471 -3.1217 -3.1107 -3.0603 -3.0520 -0.5725 -0.5590 -0.3740 -0.3610 0.6486 0.6587 0.6787 0.6853 1.8939 1.8985 2.1601 2.1673 2.6221 2.6313 2.7492 2.7596 12.4557 12.4616 12.7279 12.7379 13.1270 13.1343 13.6513 13.6596 k =-0.2208 0.2386 0.7262 ( 2286 PWs) bands (ev): -17.2938 -17.2937 -16.3694 -16.3659 -15.0286 -15.0280 -14.9993 -14.9947 -5.6778 -5.6762 -5.3367 -5.3285 -3.1153 -3.1044 -3.0805 -3.0727 -0.5849 -0.5719 -0.3517 -0.3388 0.6616 0.6622 0.6687 0.6734 1.8708 1.8756 2.1392 2.1463 2.6319 2.6415 2.7479 2.7586 12.4482 12.4542 12.7037 12.7134 13.1377 13.1450 13.6528 13.6617 k =-0.2276 0.2460 0.7162 ( 2288 PWs) bands (ev): -17.2959 -17.2958 -16.3668 -16.3633 -15.0267 -15.0260 -15.0033 -14.9989 -5.6780 -5.6764 -5.3116 -5.3035 -3.1118 -3.1078 -3.0921 -3.0911 -0.5966 -0.5841 -0.3282 -0.3156 0.6459 0.6525 0.6772 0.6872 1.8468 1.8518 2.1171 2.1241 2.6406 2.6508 2.7475 2.7585 12.4379 12.4441 12.6816 12.6908 13.1495 13.1567 13.6553 13.6648 k =-0.2344 0.2534 0.7062 ( 2288 PWs) bands (ev): -17.2990 -17.2989 -16.3631 -16.3595 -15.0249 -15.0239 -15.0071 -15.0028 -5.6837 -5.6819 -5.2815 -5.2735 -3.1282 -3.1231 -3.0958 -3.0871 -0.6073 -0.5953 -0.3039 -0.2915 0.6297 0.6362 0.6930 0.7027 1.8221 1.8272 2.0941 2.1010 2.6482 2.6589 2.7480 2.7594 12.4247 12.4312 12.6620 12.6707 13.1622 13.1692 13.6586 13.6686 k =-0.2412 0.2607 0.6962 ( 2290 PWs) bands (ev): -17.3029 -17.3028 -16.3584 -16.3549 -15.0233 -15.0216 -15.0104 -15.0065 -5.6931 -5.6912 -5.2481 -5.2401 -3.1508 -3.1447 -3.0909 -3.0807 -0.6169 -0.6054 -0.2789 -0.2668 0.6136 0.6199 0.7097 0.7192 1.7971 1.8022 2.0703 2.0771 2.6546 2.6657 2.7497 2.7611 12.4089 12.4159 12.6452 12.6535 13.1753 13.1822 13.6625 13.6729 k =-0.2480 0.2681 0.6861 ( 2290 PWs) bands (ev): -17.3075 -17.3074 -16.3531 -16.3496 -15.0226 -15.0195 -15.0129 -15.0095 -5.7051 -5.7030 -5.2126 -5.2047 -3.1741 -3.1678 -3.0848 -3.0741 -0.6255 -0.6146 -0.2534 -0.2417 0.5975 0.6036 0.7272 0.7365 1.7718 1.7770 2.0458 2.0526 2.6597 2.6712 2.7522 2.7636 12.3910 12.3984 12.6312 12.6391 13.1888 13.1956 13.6669 13.6775 k =-0.2548 0.2755 0.6761 ( 2289 PWs) bands (ev): -17.3125 -17.3125 -16.3473 -16.3438 -15.0236 -15.0185 -15.0139 -15.0106 -5.7186 -5.7163 -5.1761 -5.1683 -3.1977 -3.1916 -3.0786 -3.0677 -0.6331 -0.6226 -0.2276 -0.2162 0.5814 0.5872 0.7454 0.7544 1.7467 1.7519 2.0208 2.0276 2.6636 2.6754 2.7556 2.7667 12.3714 12.3794 12.6198 12.6274 13.2025 13.2090 13.6714 13.6822 k =-0.2616 0.2828 0.6661 ( 2291 PWs) bands (ev): -17.3180 -17.3179 -16.3411 -16.3376 -15.0259 -15.0203 -15.0125 -15.0096 -5.7329 -5.7305 -5.1393 -5.1317 -3.2214 -3.2155 -3.0724 -3.0614 -0.6397 -0.6296 -0.2016 -0.1906 0.5653 0.5708 0.7641 0.7729 1.7219 1.7270 1.9955 2.0022 2.6667 2.6784 2.7595 2.7701 12.3510 12.3593 12.6107 12.6181 13.2162 13.2225 13.6758 13.6868 k =-0.2685 0.2902 0.6560 ( 2291 PWs) bands (ev): -17.3236 -17.3235 -16.3348 -16.3313 -15.0288 -15.0233 -15.0100 -15.0074 -5.7476 -5.7450 -5.1029 -5.0954 -3.2449 -3.2394 -3.0664 -3.0552 -0.6453 -0.6356 -0.1755 -0.1649 0.5492 0.5544 0.7832 0.7919 1.6977 1.7027 1.9700 1.9767 2.6689 2.6805 2.7637 2.7737 12.3303 12.3390 12.6035 12.6107 13.2297 13.2358 13.6799 13.6910 k =-0.2753 0.2975 0.6460 ( 2287 PWs) bands (ev): -17.3293 -17.3292 -16.3284 -16.3249 -15.0318 -15.0264 -15.0073 -15.0048 -5.7621 -5.7595 -5.0673 -5.0598 -3.2682 -3.2630 -3.0606 -3.0493 -0.6499 -0.6407 -0.1494 -0.1393 0.5332 0.5379 0.8025 0.8110 1.6743 1.6793 1.9445 1.9512 2.6705 2.6820 2.7680 2.7773 12.3099 12.3189 12.5978 12.6050 13.2431 13.2490 13.6835 13.6947 k =-0.2821 0.3049 0.6360 ( 2285 PWs) bands (ev): -17.3349 -17.3349 -16.3220 -16.3185 -15.0348 -15.0295 -15.0046 -15.0021 -5.7762 -5.7735 -5.0329 -5.0256 -3.2910 -3.2862 -3.0550 -3.0436 -0.6537 -0.6448 -0.1237 -0.1141 0.5171 0.5214 0.8218 0.8303 1.6521 1.6569 1.9190 1.9258 2.6717 2.6829 2.7722 2.7808 12.2903 12.2995 12.5934 12.6007 13.2561 13.2617 13.6864 13.6976 k =-0.2889 0.3123 0.6260 ( 2287 PWs) bands (ev): -17.3404 -17.3404 -16.3159 -16.3124 -15.0376 -15.0324 -15.0018 -14.9993 -5.7897 -5.7869 -5.0001 -4.9929 -3.3131 -3.3088 -3.0496 -3.0382 -0.6566 -0.6481 -0.0986 -0.0896 0.5012 0.5049 0.8410 0.8494 1.6312 1.6358 1.8940 1.9007 2.6725 2.6835 2.7761 2.7840 12.2719 12.2813 12.5902 12.5974 13.2687 13.2741 13.6883 13.6996 k =-0.2957 0.3196 0.6159 ( 2289 PWs) bands (ev): -17.3456 -17.3456 -16.3100 -16.3066 -15.0403 -15.0353 -14.9991 -14.9965 -5.8024 -5.7995 -4.9693 -4.9621 -3.3342 -3.3304 -3.0445 -3.0331 -0.6587 -0.6505 -0.0743 -0.0659 0.4855 0.4886 0.8598 0.8681 1.6120 1.6164 1.8694 1.8762 2.6731 2.6838 2.7798 2.7869 12.2550 12.2645 12.5878 12.5952 13.2809 13.2860 13.6892 13.7005 k =-0.3025 0.3270 0.6059 ( 2291 PWs) bands (ev): -17.3505 -17.3505 -16.3046 -16.3011 -15.0429 -15.0380 -14.9964 -14.9937 -5.8140 -5.8111 -4.9407 -4.9337 -3.3541 -3.3508 -3.0397 -3.0283 -0.6600 -0.6521 -0.0511 -0.0434 0.4702 0.4726 0.8781 0.8863 1.5946 1.5988 1.8455 1.8524 2.6735 2.6840 2.7830 2.7894 12.2398 12.2495 12.5863 12.5938 13.2925 13.2974 13.6888 13.7001 k =-0.3093 0.3343 0.5959 ( 2286 PWs) bands (ev): -17.3550 -17.3550 -16.2996 -16.2962 -15.0453 -15.0405 -14.9939 -14.9911 -5.8246 -5.8216 -4.9147 -4.9078 -3.3725 -3.3698 -3.0353 -3.0238 -0.6605 -0.6530 -0.0295 -0.0226 0.4557 0.4571 0.8955 0.9037 1.5793 1.5833 1.8226 1.8295 2.6738 2.6840 2.7859 2.7915 12.2266 12.2364 12.5855 12.5931 13.3037 13.3083 13.6871 13.6983 k =-0.3161 0.3417 0.5858 ( 2280 PWs) bands (ev): -17.3590 -17.3590 -16.2951 -16.2917 -15.0476 -15.0428 -14.9915 -14.9886 -5.8338 -5.8309 -4.8916 -4.8848 -3.3892 -3.3870 -3.0311 -3.0196 -0.6604 -0.6531 -0.0100 -0.0040 0.4421 0.4427 0.9118 0.9200 1.5663 1.5701 1.8010 1.8079 2.6740 2.6840 2.7883 2.7933 12.2155 12.2253 12.5854 12.5931 13.3143 13.3187 13.6838 13.6950 k =-0.3229 0.3491 0.5758 ( 2288 PWs) bands (ev): -17.3625 -17.3625 -16.2913 -16.2879 -15.0496 -15.0450 -14.9893 -14.9862 -5.8417 -5.8387 -4.8716 -4.8649 -3.4040 -3.4023 -3.0273 -3.0159 -0.6596 -0.6525 0.0068 0.0118 0.4295 0.4301 0.9267 0.9349 1.5559 1.5594 1.7807 1.7878 2.6742 2.6839 2.7904 2.7946 12.2066 12.2165 12.5859 12.5936 13.3243 13.3284 13.6789 13.6901 k =-0.3297 0.3564 0.5658 ( 2290 PWs) bands (ev): -17.3654 -17.3654 -16.2880 -16.2846 -15.0515 -15.0470 -14.9873 -14.9841 -5.8482 -5.8452 -4.8551 -4.8485 -3.4166 -3.4153 -3.0239 -3.0125 -0.6581 -0.6512 0.0201 0.0241 0.4183 0.4201 0.9399 0.9482 1.5481 1.5515 1.7623 1.7694 2.6743 2.6837 2.7920 2.7957 12.2000 12.2098 12.5868 12.5947 13.3337 13.3377 13.6723 13.6835 k =-0.3366 0.3638 0.5558 ( 2285 PWs) bands (ev): -17.3677 -17.3677 -16.2854 -16.2821 -15.0531 -15.0488 -14.9855 -14.9822 -5.8532 -5.8502 -4.8423 -4.8358 -3.4270 -3.4256 -3.0209 -3.0095 -0.6560 -0.6493 0.0294 0.0322 0.4098 0.4128 0.9511 0.9594 1.5432 1.5464 1.7458 1.7530 2.6745 2.6836 2.7934 2.7964 12.1956 12.2055 12.5883 12.5963 13.3427 13.3464 13.6640 13.6752 k =-0.3434 0.3711 0.5457 ( 2283 PWs) bands (ev): -17.3694 -17.3693 -16.2836 -16.2802 -15.0546 -15.0504 -14.9840 -14.9805 -5.8567 -5.8536 -4.8333 -4.8269 -3.4349 -3.4332 -3.0182 -3.0069 -0.6534 -0.6468 0.0337 0.0357 0.4043 0.4087 0.9601 0.9683 1.5412 1.5443 1.7317 1.7390 2.6746 2.6835 2.7943 2.7968 12.1936 12.2035 12.5903 12.5984 13.3510 13.3546 13.6540 13.6652 k =-0.3502 0.3785 0.5357 ( 2285 PWs) bands (ev): -17.3704 -17.3703 -16.2824 -16.2790 -15.0558 -15.0518 -14.9827 -14.9790 -5.8585 -5.8555 -4.8284 -4.8221 -3.4403 -3.4379 -3.0160 -3.0047 -0.6501 -0.6436 0.0326 0.0343 0.4023 0.4080 0.9665 0.9747 1.5424 1.5453 1.7201 1.7274 2.6747 2.6834 2.7949 2.7970 12.1940 12.2038 12.5927 12.6009 13.3589 13.3622 13.6421 13.6533 k =-0.3570 0.3859 0.5257 ( 2285 PWs) bands (ev): -17.3707 -17.3707 -16.2819 -16.2786 -15.0569 -15.0530 -14.9817 -14.9778 -5.8588 -5.8557 -4.8275 -4.8212 -3.4428 -3.4397 -3.0142 -3.0029 -0.6462 -0.6398 0.0260 0.0280 0.4039 0.4107 0.9702 0.9783 1.5466 1.5493 1.7113 1.7187 2.6748 2.6832 2.7952 2.7969 12.1965 12.2063 12.5956 12.6039 13.3663 13.3694 13.6285 13.6399 k =-0.3570 0.3859 0.5257 ( 2285 PWs) bands (ev): -17.3707 -17.3707 -16.2819 -16.2786 -15.0569 -15.0530 -14.9817 -14.9778 -5.8588 -5.8557 -4.8275 -4.8212 -3.4428 -3.4397 -3.0142 -3.0029 -0.6462 -0.6398 0.0260 0.0280 0.4039 0.4107 0.9702 0.9783 1.5466 1.5493 1.7113 1.7187 2.6748 2.6832 2.7952 2.7969 12.1965 12.2063 12.5956 12.6039 13.3663 13.3694 13.6285 13.6399 k =-0.3501 0.3785 0.5156 ( 2285 PWs) bands (ev): -17.3830 -17.3830 -16.2680 -16.2646 -15.0566 -15.0527 -14.9765 -14.9725 -5.9056 -5.9025 -4.8001 -4.7938 -3.4659 -3.4627 -3.0049 -2.9935 -0.6640 -0.6575 0.0103 0.0121 0.4317 0.4382 0.9796 0.9879 1.5712 1.5740 1.7684 1.7757 2.6500 2.6587 2.7852 2.7870 12.1688 12.1788 12.6003 12.6084 13.3851 13.3887 13.6604 13.6720 k =-0.3433 0.3710 0.5055 ( 2283 PWs) bands (ev): -17.3966 -17.3966 -16.2524 -16.2490 -15.0562 -15.0522 -14.9711 -14.9670 -5.9536 -5.9505 -4.7727 -4.7662 -3.4894 -3.4861 -2.9961 -2.9845 -0.6795 -0.6730 -0.0030 -0.0014 0.4603 0.4666 0.9892 0.9978 1.5940 1.5968 1.8242 1.8315 2.6244 2.6332 2.7753 2.7771 12.1418 12.1520 12.6056 12.6136 13.4026 13.4067 13.6911 13.7029 k =-0.3364 0.3636 0.4953 ( 2295 PWs) bands (ev): -17.4115 -17.4114 -16.2354 -16.2319 -15.0554 -15.0514 -14.9656 -14.9613 -6.0027 -5.9996 -4.7452 -4.7387 -3.5134 -3.5099 -2.9878 -2.9761 -0.6929 -0.6862 -0.0139 -0.0125 0.4897 0.4958 0.9990 1.0078 1.6148 1.6177 1.8785 1.8857 2.5981 2.6071 2.7655 2.7673 12.1156 12.1261 12.6114 12.6193 13.4184 13.4230 13.7203 13.7323 k =-0.3295 0.3562 0.4852 ( 2289 PWs) bands (ev): -17.4276 -17.4275 -16.2167 -16.2132 -15.0544 -15.0503 -14.9599 -14.9555 -6.0528 -6.0497 -4.7181 -4.7115 -3.5376 -3.5340 -2.9800 -2.9683 -0.7040 -0.6973 -0.0222 -0.0210 0.5197 0.5257 1.0088 1.0178 1.6337 1.6367 1.9309 1.9381 2.5715 2.5805 2.7559 2.7577 12.0903 12.1011 12.6179 12.6257 13.4322 13.4372 13.7479 13.7600 k =-0.3227 0.3488 0.4751 ( 2291 PWs) bands (ev): -17.4449 -17.4449 -16.1966 -16.1931 -15.0531 -15.0490 -14.9540 -14.9495 -6.1037 -6.1006 -4.6912 -4.6846 -3.5621 -3.5584 -2.9730 -2.9611 -0.7131 -0.7063 -0.0277 -0.0266 0.5503 0.5561 1.0187 1.0280 1.6506 1.6537 1.9813 1.9884 2.5447 2.5538 2.7467 2.7484 12.0660 12.0771 12.6248 12.6324 13.4433 13.4488 13.7735 13.7857 k =-0.3158 0.3413 0.4650 ( 2295 PWs) bands (ev): -17.4634 -17.4633 -16.1749 -16.1714 -15.0516 -15.0475 -14.9480 -14.9434 -6.1553 -6.1523 -4.6649 -4.6582 -3.5867 -3.5829 -2.9667 -2.9547 -0.7203 -0.7133 -0.0303 -0.0293 0.5814 0.5870 1.0286 1.0381 1.6653 1.6686 2.0293 2.0362 2.5181 2.5272 2.7378 2.7395 12.0427 12.0540 12.6322 12.6396 13.4515 13.4575 13.7968 13.8092 k =-0.3089 0.3339 0.4549 ( 2291 PWs) bands (ev): -17.4830 -17.4829 -16.1518 -16.1483 -15.0498 -15.0457 -14.9418 -14.9371 -6.2075 -6.2046 -4.6392 -4.6324 -3.6115 -3.6075 -2.9611 -2.9492 -0.7255 -0.7184 -0.0298 -0.0289 0.6128 0.6183 1.0385 1.0482 1.6780 1.6815 2.0743 2.0810 2.4924 2.5013 2.7294 2.7310 12.0205 12.0320 12.6399 12.6472 13.4564 13.4627 13.8177 13.8301 k =-0.3021 0.3265 0.4448 ( 2291 PWs) bands (ev): -17.5036 -17.5035 -16.1273 -16.1238 -15.0478 -15.0437 -14.9355 -14.9307 -6.2603 -6.2574 -4.6141 -4.6074 -3.6363 -3.6322 -2.9564 -2.9444 -0.7291 -0.7218 -0.0261 -0.0253 0.6445 0.6499 1.0482 1.0582 1.6886 1.6922 2.1156 2.1218 2.4683 2.4768 2.7216 2.7232 11.9992 12.0109 12.6481 12.6552 13.4573 13.4641 13.8359 13.8482 k =-0.2952 0.3191 0.4347 ( 2287 PWs) bands (ev): -17.5251 -17.5250 -16.1014 -16.0979 -15.0456 -15.0414 -14.9291 -14.9243 -6.3134 -6.3107 -4.5899 -4.5831 -3.6610 -3.6568 -2.9526 -2.9406 -0.7311 -0.7237 -0.0190 -0.0182 0.6763 0.6816 1.0577 1.0681 1.6969 1.7008 2.1522 2.1576 2.4472 2.4549 2.7145 2.7160 11.9788 11.9908 12.6566 12.6636 13.4539 13.4610 13.8511 13.8633 k =-0.2883 0.3117 0.4246 ( 2289 PWs) bands (ev): -17.5475 -17.5473 -16.0742 -16.0707 -15.0431 -15.0390 -14.9226 -14.9177 -6.3670 -6.3643 -4.5664 -4.5596 -3.6857 -3.6814 -2.9498 -2.9378 -0.7316 -0.7241 -0.0086 -0.0077 0.7080 0.7133 1.0671 1.0778 1.7032 1.7072 2.1821 2.1862 2.4310 2.4374 2.7084 2.7097 11.9593 11.9715 12.6655 12.6723 13.4456 13.4530 13.8633 13.8755 k =-0.2815 0.3042 0.4145 ( 2291 PWs) bands (ev): -17.5706 -17.5705 -16.0458 -16.0423 -15.0405 -15.0363 -14.9160 -14.9110 -6.4207 -6.4182 -4.5439 -4.5371 -3.7102 -3.7057 -2.9479 -2.9360 -0.7309 -0.7232 0.0054 0.0064 0.7396 0.7449 1.0762 1.0874 1.7073 1.7115 2.2030 2.2052 2.4223 2.4266 2.7032 2.7045 11.9405 11.9529 12.6748 12.6813 13.4320 13.4396 13.8726 13.8845 k =-0.2746 0.2968 0.4044 ( 2285 PWs) bands (ev): -17.5944 -17.5942 -16.0163 -16.0128 -15.0376 -15.0335 -14.9093 -14.9043 -6.4747 -6.4722 -4.5222 -4.5155 -3.7344 -3.7299 -2.9471 -2.9352 -0.7290 -0.7212 0.0230 0.0241 0.7706 0.7760 1.0852 1.0968 1.7093 1.7138 2.2117 2.2135 2.4231 2.4249 2.6993 2.7003 11.9223 11.9348 12.6844 12.6907 13.4127 13.4204 13.8791 13.8907 k =-0.2677 0.2894 0.3943 ( 2289 PWs) bands (ev): -17.6187 -17.6186 -15.9856 -15.9822 -15.0346 -15.0305 -14.9026 -14.8975 -6.5287 -6.5264 -4.5015 -4.4948 -3.7584 -3.7538 -2.9474 -2.9356 -0.7261 -0.7183 0.0441 0.0453 0.8010 0.8065 1.0941 1.1062 1.7094 1.7140 2.2078 2.2117 2.4319 2.4330 2.6968 2.6976 11.9045 11.9171 12.6944 12.7004 13.3872 13.3950 13.8831 13.8944 k =-0.2609 0.2820 0.3841 ( 2305 PWs) bands (ev): -17.6436 -17.6434 -15.9540 -15.9506 -15.0314 -15.0273 -14.8957 -14.8906 -6.5827 -6.5805 -4.4817 -4.4750 -3.7820 -3.7773 -2.9489 -2.9371 -0.7223 -0.7144 0.0688 0.0701 0.8302 0.8359 1.1031 1.1158 1.7075 1.7124 2.1955 2.2011 2.4459 2.4484 2.6959 2.6964 11.8869 11.8996 12.7048 12.7104 13.3553 13.3632 13.8849 13.8958 k =-0.2540 0.2746 0.3740 ( 2309 PWs) bands (ev): -17.6688 -17.6687 -15.9215 -15.9181 -15.0281 -15.0240 -14.8889 -14.8837 -6.6367 -6.6346 -4.4628 -4.4562 -3.8053 -3.8005 -2.9515 -2.9398 -0.7177 -0.7097 0.0971 0.0985 0.8579 0.8639 1.1125 1.1257 1.7040 1.7091 2.1782 2.1849 2.4629 2.4663 2.6967 2.6971 11.8692 11.8819 12.7156 12.7208 13.3172 13.3250 13.8850 13.8955 k =-0.2471 0.2671 0.3639 ( 2309 PWs) bands (ev): -17.6944 -17.6942 -15.8881 -15.8848 -15.0246 -15.0206 -14.8820 -14.8768 -6.6905 -6.6885 -4.4448 -4.4382 -3.8280 -3.8232 -2.9553 -2.9437 -0.7123 -0.7043 0.1288 0.1302 0.8834 0.8898 1.1227 1.1365 1.6990 1.7043 2.1582 2.1656 2.4807 2.4844 2.6992 2.6999 11.8513 11.8639 12.7267 12.7313 13.2729 13.2808 13.8839 13.8939 k =-0.2403 0.2597 0.3538 ( 2301 PWs) bands (ev): -17.7201 -17.7199 -15.8540 -15.8507 -15.0210 -15.0171 -14.8750 -14.8699 -6.7441 -6.7422 -4.4276 -4.4211 -3.8503 -3.8454 -2.9603 -2.9489 -0.7062 -0.6983 0.1638 0.1653 0.9061 0.9128 1.1342 1.1486 1.6926 1.6981 2.1368 2.1447 2.4975 2.5012 2.7036 2.7049 11.8327 11.8452 12.7380 12.7419 13.2233 13.2314 13.8819 13.8914 k =-0.2334 0.2523 0.3437 ( 2305 PWs) bands (ev): -17.7460 -17.7458 -15.8193 -15.8160 -15.0174 -15.0135 -14.8681 -14.8630 -6.7974 -6.7956 -4.4113 -4.4049 -3.8720 -3.8670 -2.9666 -2.9553 -0.6995 -0.6916 0.2019 0.2034 0.9254 0.9322 1.1478 1.1626 1.6853 1.6909 2.1150 2.1230 2.5125 2.5159 2.7098 2.7118 11.8133 11.8256 12.7489 12.7518 13.1693 13.1777 13.8794 13.8884 k =-0.2265 0.2449 0.3336 ( 2305 PWs) bands (ev): -17.7719 -17.7718 -15.7840 -15.7807 -15.0137 -15.0099 -14.8612 -14.8561 -6.8503 -6.8486 -4.3958 -4.3895 -3.8930 -3.8880 -2.9741 -2.9629 -0.6922 -0.6844 0.2429 0.2445 0.9404 0.9472 1.1641 1.1789 1.6771 1.6828 2.0930 2.1011 2.5255 2.5286 2.7177 2.7203 11.7927 11.8046 12.7584 12.7604 13.1127 13.1218 13.8765 13.8851 k =-0.2197 0.2375 0.3235 ( 2305 PWs) bands (ev): -17.7978 -17.7977 -15.7482 -15.7450 -15.0099 -15.0062 -14.8543 -14.8493 -6.9028 -6.9012 -4.3810 -4.3748 -3.9135 -3.9083 -2.9829 -2.9719 -0.6844 -0.6765 0.2867 0.2882 0.9510 0.9575 1.1833 1.1979 1.6683 1.6742 2.0712 2.0793 2.5366 2.5393 2.7267 2.7300 11.7705 11.7820 12.7635 12.7661 13.0565 13.0669 13.8735 13.8816 k =-0.2128 0.2300 0.3134 ( 2315 PWs) bands (ev): -17.8237 -17.8235 -15.7120 -15.7089 -15.0061 -15.0024 -14.8474 -14.8425 -6.9548 -6.9533 -4.3669 -4.3609 -3.9332 -3.9280 -2.9930 -2.9821 -0.6759 -0.6682 0.3329 0.3344 0.9569 0.9629 1.2055 1.2195 1.6593 1.6652 2.0497 2.0578 2.5460 2.5484 2.7365 2.7403 11.7465 11.7575 12.7595 12.7649 13.0059 13.0184 13.8704 13.8781 k =-0.2060 0.2226 0.3033 ( 2315 PWs) bands (ev): -17.8493 -17.8492 -15.6756 -15.6725 -15.0023 -14.9987 -14.8406 -14.8357 -7.0062 -7.0048 -4.3535 -4.3476 -3.9521 -3.9469 -3.0042 -2.9935 -0.6670 -0.6593 0.3814 0.3828 0.9585 0.9639 1.2301 1.2436 1.6501 1.6560 2.0286 2.0366 2.5543 2.5563 2.7464 2.7507 11.7204 11.7308 12.7401 12.7488 12.9697 12.9842 13.8672 13.8746 k =-0.1991 0.2152 0.2932 ( 2315 PWs) bands (ev): -17.8747 -17.8746 -15.6389 -15.6359 -14.9985 -14.9949 -14.8338 -14.8290 -7.0569 -7.0557 -4.3406 -4.3349 -3.9703 -3.9651 -3.0167 -3.0062 -0.6575 -0.6499 0.4318 0.4332 0.9563 0.9611 1.2568 1.2696 1.6410 1.6469 2.0079 2.0158 2.5616 2.5633 2.7561 2.7608 11.6919 11.7016 12.7012 12.7117 12.9545 12.9695 13.8641 13.8712 k =-0.1922 0.2078 0.2831 ( 2315 PWs) bands (ev): -17.8998 -17.8997 -15.6022 -15.5992 -14.9946 -14.9912 -14.8271 -14.8224 -7.1070 -7.1058 -4.3284 -4.3227 -3.9877 -3.9824 -3.0304 -3.0200 -0.6474 -0.6400 0.4839 0.4852 0.9508 0.9550 1.2849 1.2971 1.6321 1.6379 1.9876 1.9955 2.5683 2.5699 2.7652 2.7702 11.6607 11.6697 12.6461 12.6570 12.9578 12.9719 13.8610 13.8678 k =-0.1854 0.2004 0.2729 ( 2303 PWs) bands (ev): -17.9245 -17.9244 -15.5654 -15.5625 -14.9908 -14.9875 -14.8205 -14.8159 -7.1562 -7.1551 -4.3166 -4.3111 -4.0042 -3.9989 -3.0451 -3.0350 -0.6369 -0.6297 0.5374 0.5386 0.9425 0.9462 1.3140 1.3256 1.6235 1.6292 1.9678 1.9756 2.5748 2.5763 2.7735 2.7787 11.6267 11.6349 12.5816 12.5923 12.9728 12.9857 13.8579 13.8645 k =-0.1785 0.1929 0.2628 ( 2299 PWs) bands (ev): -17.9488 -17.9487 -15.5287 -15.5259 -14.9871 -14.9838 -14.8140 -14.8095 -7.2046 -7.2036 -4.3053 -4.3000 -4.0198 -4.0145 -3.0610 -3.0511 -0.6259 -0.6188 0.5920 0.5931 0.9318 0.9351 1.3437 1.3548 1.6152 1.6208 1.9484 1.9561 2.5811 2.5825 2.7806 2.7859 11.5897 11.5970 12.5124 12.5231 12.9949 13.0066 13.8547 13.8611 k =-0.1716 0.1855 0.2527 ( 2299 PWs) bands (ev): -17.9726 -17.9725 -15.4923 -15.4895 -14.9834 -14.9802 -14.8077 -14.8033 -7.2520 -7.2511 -4.2944 -4.2892 -4.0346 -4.0293 -3.0779 -3.0682 -0.6145 -0.6076 0.6473 0.6484 0.9194 0.9223 1.3737 1.3844 1.6072 1.6126 1.9296 1.9372 2.5874 2.5887 2.7865 2.7919 11.5495 11.5560 12.4417 12.4524 13.0215 13.0322 13.8514 13.8576 k =-0.1648 0.1781 0.2426 ( 2309 PWs) bands (ev): -17.9959 -17.9958 -15.4561 -15.4534 -14.9797 -14.9766 -14.8014 -14.7972 -7.2984 -7.2977 -4.2840 -4.2790 -4.0484 -4.0431 -3.0957 -3.0862 -0.6026 -0.5959 0.7031 0.7041 0.9055 0.9081 1.4037 1.4141 1.5996 1.6048 1.9113 1.9188 2.5938 2.5951 2.7911 2.7966 11.5063 11.5119 12.3712 12.3819 13.0515 13.0613 13.8480 13.8540 k =-0.1579 0.1707 0.2325 ( 2319 PWs) bands (ev): -18.0186 -18.0185 -15.4203 -15.4177 -14.9761 -14.9732 -14.7953 -14.7912 -7.3438 -7.3431 -4.2739 -4.2691 -4.0612 -4.0560 -3.1144 -3.1051 -0.5904 -0.5839 0.7590 0.7599 0.8904 0.8929 1.4336 1.4437 1.5923 1.5973 1.8936 1.9011 2.6003 2.6016 2.7944 2.7999 11.4601 11.4648 12.3021 12.3127 13.0842 13.0932 13.8445 13.8503 k =-0.1510 0.1633 0.2224 ( 2319 PWs) bands (ev): -18.0406 -18.0405 -15.3850 -15.3825 -14.9726 -14.9698 -14.7894 -14.7854 -7.3880 -7.3874 -4.2641 -4.2595 -4.0732 -4.0679 -3.1338 -3.1248 -0.5779 -0.5716 0.8148 0.8155 0.8747 0.8769 1.4631 1.4731 1.5854 1.5901 1.8766 1.8840 2.6069 2.6082 2.7964 2.8018 11.4109 11.4149 12.2351 12.2457 13.1190 13.1273 13.8409 13.8465 k =-0.1442 0.1558 0.2123 ( 2315 PWs) bands (ev): -18.0620 -18.0619 -15.3503 -15.3479 -14.9692 -14.9665 -14.7836 -14.7798 -7.4309 -7.4304 -4.2547 -4.2503 -4.0841 -4.0789 -3.1539 -3.1452 -0.5651 -0.5590 0.8578 0.8602 0.8701 0.8714 1.4921 1.5021 1.5788 1.5833 1.8603 1.8677 2.6136 2.6149 2.7971 2.8025 11.3592 11.3624 12.1708 12.1814 13.1556 13.1632 13.8371 13.8425 k =-0.1373 0.1484 0.2022 ( 2323 PWs) bands (ev): -18.0826 -18.0825 -15.3164 -15.3140 -14.9659 -14.9633 -14.7780 -14.7744 -7.4726 -7.4721 -4.2456 -4.2414 -4.0941 -4.0889 -3.1746 -3.1661 -0.5521 -0.5462 0.8416 0.8437 0.9242 0.9251 1.5203 1.5304 1.5729 1.5771 1.8448 1.8523 2.6205 2.6218 2.7966 2.8019 11.3052 11.3077 12.1096 12.1201 13.1935 13.2005 13.8331 13.8383 k =-0.1304 0.1410 0.1921 ( 2323 PWs) bands (ev): -18.1024 -18.1024 -15.2832 -15.2809 -14.9627 -14.9602 -14.7726 -14.7691 -7.5128 -7.5124 -4.2369 -4.2328 -4.1031 -4.0980 -3.1957 -3.1875 -0.5390 -0.5333 0.8251 0.8270 0.9771 0.9780 1.5467 1.5571 1.5685 1.5724 1.8302 1.8378 2.6274 2.6287 2.7950 2.8002 11.2493 11.2513 12.0517 12.0620 13.2326 13.2390 13.8290 13.8340 k =-0.1236 0.1336 0.1820 ( 2319 PWs) bands (ev): -18.1215 -18.1214 -15.2509 -15.2488 -14.9596 -14.9572 -14.7675 -14.7641 -7.5516 -7.5513 -4.2284 -4.2246 -4.1111 -4.1062 -3.2170 -3.2091 -0.5258 -0.5204 0.8086 0.8104 1.0282 1.0291 1.5595 1.5627 1.5800 1.5865 1.8165 1.8242 2.6343 2.6357 2.7925 2.7975 11.1921 11.1936 11.9971 12.0071 13.2724 13.2784 13.8247 13.8296 k =-0.1167 0.1262 0.1719 ( 2319 PWs) bands (ev): -18.1397 -18.1397 -15.2196 -15.2176 -14.9567 -14.9544 -14.7625 -14.7593 -7.5889 -7.5886 -4.2203 -4.2166 -4.1183 -4.1134 -3.2386 -3.2310 -0.5126 -0.5074 0.7925 0.7941 1.0769 1.0779 1.5567 1.5595 1.6038 1.6124 1.8038 1.8118 2.6413 2.6426 2.7889 2.7938 11.1342 11.1353 11.9459 11.9556 13.3127 13.3182 13.8203 13.8250 k =-0.1098 0.1187 0.1617 ( 2319 PWs) bands (ev): -18.1571 -18.1570 -15.1895 -15.1875 -14.9538 -14.9517 -14.7577 -14.7547 -7.6245 -7.6243 -4.2124 -4.2090 -4.1245 -4.1197 -3.2602 -3.2529 -0.4995 -0.4946 0.7768 0.7784 1.1227 1.1239 1.5541 1.5565 1.6284 1.6377 1.7921 1.8004 2.6481 2.6494 2.7846 2.7893 11.0761 11.0769 11.8980 11.9073 13.3531 13.3581 13.8158 13.8202 k =-0.1030 0.1113 0.1516 ( 2315 PWs) bands (ev): -18.1735 -18.1735 -15.1605 -15.1587 -14.9511 -14.9492 -14.7532 -14.7504 -7.6585 -7.6583 -4.2050 -4.2018 -4.1298 -4.1251 -3.2817 -3.2747 -0.4866 -0.4819 0.7616 0.7631 1.1650 1.1664 1.5531 1.5551 1.6520 1.6621 1.7813 1.7903 2.6549 2.6561 2.7797 2.7841 11.0184 11.0189 11.8534 11.8623 13.3933 13.3980 13.8112 13.8155 k =-0.0961 0.1039 0.1415 ( 2311 PWs) bands (ev): -18.1890 -18.1890 -15.1329 -15.1312 -14.9486 -14.9467 -14.7490 -14.7463 -7.6906 -7.6905 -4.1978 -4.1948 -4.1342 -4.1297 -3.3029 -3.2963 -0.4739 -0.4695 0.7472 0.7486 1.2030 1.2047 1.5543 1.5559 1.6742 1.6853 1.7716 1.7816 2.6614 2.6626 2.7742 2.7784 10.9616 10.9620 11.8120 11.8203 13.4331 13.4373 13.8067 13.8107 k =-0.0892 0.0965 0.1314 ( 2305 PWs) bands (ev): -18.2036 -18.2035 -15.1067 -15.1051 -14.9462 -14.9445 -14.7449 -14.7425 -7.7210 -7.7208 -4.1910 -4.1883 -4.1378 -4.1335 -3.3237 -3.3174 -0.4616 -0.4575 0.7335 0.7348 1.2360 1.2379 1.5584 1.5595 1.6944 1.7074 1.7629 1.7748 2.6678 2.6689 2.7683 2.7723 10.9065 10.9067 11.7737 11.7815 13.4719 13.4759 13.8022 13.8059 k =-0.0824 0.0890 0.1213 ( 2297 PWs) bands (ev): -18.2171 -18.2171 -15.0819 -15.0805 -14.9440 -14.9424 -14.7412 -14.7389 -7.7494 -7.7493 -4.1846 -4.1821 -4.1407 -4.1366 -3.3439 -3.3379 -0.4498 -0.4459 0.7206 0.7218 1.2633 1.2655 1.5657 1.5664 1.7116 1.7280 1.7553 1.7706 2.6738 2.6749 2.7622 2.7660 10.8533 10.8535 11.7384 11.7456 13.5097 13.5132 13.7977 13.8012 k =-0.0755 0.0816 0.1112 ( 2297 PWs) bands (ev): -18.2297 -18.2297 -15.0588 -15.0575 -14.9419 -14.9404 -14.7377 -14.7357 -7.7758 -7.7758 -4.1786 -4.1764 -4.1428 -4.1390 -3.3633 -3.3578 -0.4384 -0.4349 0.7086 0.7097 1.2848 1.2871 1.5765 1.5768 1.7238 1.7442 1.7517 1.7711 2.6796 2.6806 2.7560 2.7595 10.8027 10.8028 11.7061 11.7127 13.5459 13.5491 13.7934 13.7966 k =-0.0687 0.0742 0.1011 ( 2293 PWs) bands (ev): -18.2412 -18.2412 -15.0374 -15.0362 -14.9399 -14.9386 -14.7345 -14.7326 -7.8002 -7.8002 -4.1731 -4.1710 -4.1443 -4.1408 -3.3818 -3.3766 -0.4277 -0.4245 0.6976 0.6986 1.3007 1.3031 1.5903 1.5905 1.7291 1.7410 1.7668 1.7778 2.6850 2.6859 2.7498 2.7530 10.7551 10.7551 11.6766 11.6827 13.5802 13.5832 13.7893 13.7923 k =-0.0618 0.0668 0.0910 ( 2289 PWs) bands (ev): -18.2517 -18.2517 -15.0177 -15.0167 -14.9382 -14.9370 -14.7316 -14.7299 -7.8225 -7.8225 -4.1679 -4.1662 -4.1452 -4.1420 -3.3992 -3.3944 -0.4177 -0.4148 0.6875 0.6884 1.3116 1.3140 1.6063 1.6066 1.7294 1.7359 1.7833 1.7890 2.6900 2.6908 2.7438 2.7468 10.7108 10.7109 11.6501 11.6555 13.6124 13.6151 13.7855 13.7882 k =-0.0549 0.0594 0.0809 ( 2295 PWs) bands (ev): -18.2612 -18.2611 -14.9999 -14.9990 -14.9366 -14.9355 -14.7289 -14.7275 -7.8426 -7.8426 -4.1633 -4.1618 -4.1455 -4.1428 -3.4153 -3.4110 -0.4085 -0.4059 0.6784 0.6792 1.3186 1.3209 1.6235 1.6239 1.7276 1.7314 1.7983 1.8014 2.6945 2.6952 2.7381 2.7408 10.6703 10.6703 11.6263 11.6312 13.6421 13.6446 13.7820 13.7844 k =-0.0481 0.0519 0.0708 ( 2305 PWs) bands (ev): -18.2695 -18.2695 -14.9840 -14.9832 -14.9351 -14.9342 -14.7266 -14.7253 -7.8605 -7.8605 -4.1593 -4.1580 -4.1455 -4.1431 -3.4300 -3.4261 -0.4001 -0.3978 0.6704 0.6711 1.3227 1.3248 1.6409 1.6413 1.7253 1.7276 1.8118 1.8135 2.6985 2.6990 2.7329 2.7352 10.6337 10.6338 11.6054 11.6096 13.6689 13.6711 13.7790 13.7811 k =-0.0412 0.0445 0.0607 ( 2301 PWs) bands (ev): -18.2768 -18.2768 -14.9701 -14.9694 -14.9338 -14.9331 -14.7246 -14.7235 -7.8762 -7.8761 -4.1558 -4.1547 -4.1450 -4.1432 -3.4430 -3.4397 -0.3927 -0.3907 0.6634 0.6640 1.3248 1.3267 1.6574 1.6577 1.7232 1.7247 1.8237 1.8246 2.7019 2.7024 2.7282 2.7303 10.6016 10.6016 11.5874 11.5910 13.6925 13.6946 13.7765 13.7784 k =-0.0343 0.0371 0.0505 ( 2305 PWs) bands (ev): -18.2830 -18.2829 -14.9583 -14.9577 -14.9327 -14.9321 -14.7228 -14.7219 -7.8894 -7.8894 -4.1530 -4.1521 -4.1442 -4.1430 -3.4543 -3.4515 -0.3863 -0.3846 0.6574 0.6579 1.3256 1.3272 1.6721 1.6723 1.7217 1.7226 1.8338 1.8342 2.7048 2.7051 2.7242 2.7260 10.5739 10.5740 11.5721 11.5751 13.7126 13.7144 13.7748 13.7764 k =-0.0275 0.0297 0.0404 ( 2299 PWs) bands (ev): -18.2880 -18.2880 -14.9486 -14.9481 -14.9317 -14.9312 -14.7214 -14.7206 -7.9004 -7.9003 -4.1508 -4.1500 -4.1433 -4.1425 -3.4637 -3.4615 -0.3809 -0.3796 0.6526 0.6530 1.3257 1.3270 1.6842 1.6843 1.7210 1.7215 1.8421 1.8423 2.7069 2.7071 2.7211 2.7226 10.5510 10.5511 11.5597 11.5621 13.7286 13.7302 13.7742 13.7754 k =-0.0206 0.0223 0.0303 ( 2297 PWs) bands (ev): -18.2920 -18.2919 -14.9412 -14.9408 -14.9306 -14.9304 -14.7202 -14.7197 -7.9089 -7.9089 -4.1493 -4.1485 -4.1423 -4.1420 -3.4711 -3.4694 -0.3766 -0.3756 0.6488 0.6491 1.3255 1.3265 1.6929 1.6930 1.7215 1.7217 1.8487 1.8488 2.7081 2.7083 2.7190 2.7202 10.5331 10.5331 11.5500 11.5518 13.7401 13.7414 13.7749 13.7758 k =-0.0137 0.0148 0.0202 ( 2299 PWs) bands (ev): -18.2948 -18.2948 -14.9363 -14.9360 -14.9295 -14.9294 -14.7194 -14.7190 -7.9150 -7.9150 -4.1482 -4.1475 -4.1415 -4.1414 -3.4764 -3.4752 -0.3735 -0.3729 0.6461 0.6463 1.3252 1.3259 1.6982 1.6984 1.7229 1.7231 1.8534 1.8534 2.7086 2.7088 2.7181 2.7189 10.5201 10.5202 11.5432 11.5444 13.7471 13.7480 13.7768 13.7774 k =-0.0069 0.0074 0.0101 ( 2301 PWs) bands (ev): -18.2965 -18.2965 -14.9338 -14.9336 -14.9283 -14.9283 -14.7188 -14.7187 -7.9187 -7.9187 -4.1475 -4.1471 -4.1410 -4.1409 -3.4795 -3.4789 -0.3716 -0.3712 0.6445 0.6446 1.3250 1.3253 1.7008 1.7009 1.7245 1.7246 1.8562 1.8562 2.7086 2.7087 2.7178 2.7182 10.5124 10.5124 11.5393 11.5399 13.7506 13.7510 13.7790 13.7792 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -18.2970 -18.2970 -14.9331 -14.9331 -14.9277 -14.9277 -14.7186 -14.7186 -7.9199 -7.9199 -4.1471 -4.1471 -4.1408 -4.1408 -3.4803 -3.4803 -0.3708 -0.3708 0.6440 0.6440 1.3250 1.3250 1.7015 1.7015 1.7252 1.7252 1.8571 1.8571 2.7086 2.7086 2.7179 2.7179 10.5098 10.5098 11.5382 11.5382 13.7517 13.7517 13.7799 13.7799 k = 0.0000 0.0000 0.0000 ( 2301 PWs) bands (ev): -18.2970 -18.2970 -14.9331 -14.9331 -14.9277 -14.9277 -14.7186 -14.7186 -7.9199 -7.9199 -4.1471 -4.1471 -4.1408 -4.1408 -3.4803 -3.4803 -0.3708 -0.3708 0.6440 0.6440 1.3250 1.3250 1.7015 1.7015 1.7252 1.7252 1.8571 1.8571 2.7086 2.7086 2.7179 2.7179 10.5098 10.5098 11.5382 11.5382 13.7517 13.7517 13.7799 13.7799 k = 0.0104 0.0096 0.0000 ( 2301 PWs) bands (ev): -18.2964 -18.2964 -14.9332 -14.9332 -14.9279 -14.9279 -14.7200 -14.7200 -7.9181 -7.9181 -4.1463 -4.1463 -4.1399 -4.1399 -3.4811 -3.4811 -0.3701 -0.3701 0.6432 0.6432 1.3251 1.3251 1.7007 1.7007 1.7244 1.7244 1.8554 1.8554 2.7085 2.7085 2.7179 2.7179 10.5123 10.5123 11.5399 11.5399 13.7500 13.7500 13.7782 13.7782 k = 0.0208 0.0193 0.0000 ( 2301 PWs) bands (ev): -18.2945 -18.2945 -14.9335 -14.9335 -14.9282 -14.9282 -14.7244 -14.7244 -7.9126 -7.9126 -4.1437 -4.1437 -4.1374 -4.1374 -3.4835 -3.4835 -0.3679 -0.3679 0.6406 0.6406 1.3251 1.3251 1.6983 1.6983 1.7220 1.7220 1.8502 1.8502 2.7084 2.7084 2.7179 2.7179 10.5200 10.5200 11.5452 11.5452 13.7449 13.7449 13.7729 13.7729 k = 0.0312 0.0289 0.0000 ( 2305 PWs) bands (ev): -18.2914 -18.2914 -14.9341 -14.9341 -14.9288 -14.9288 -14.7316 -14.7316 -7.9034 -7.9034 -4.1395 -4.1395 -4.1331 -4.1331 -3.4875 -3.4875 -0.3643 -0.3643 0.6365 0.6365 1.3252 1.3252 1.6942 1.6942 1.7179 1.7179 1.8416 1.8416 2.7082 2.7082 2.7178 2.7178 10.5327 10.5327 11.5539 11.5539 13.7364 13.7364 13.7643 13.7643 k = 0.0417 0.0385 0.0000 ( 2297 PWs) bands (ev): -18.2871 -18.2871 -14.9349 -14.9349 -14.9296 -14.9296 -14.7417 -14.7417 -7.8906 -7.8906 -4.1336 -4.1336 -4.1272 -4.1272 -3.4932 -3.4932 -0.3592 -0.3592 0.6306 0.6306 1.3252 1.3252 1.6885 1.6885 1.7123 1.7123 1.8296 1.8296 2.7081 2.7081 2.7178 2.7178 10.5504 10.5504 11.5661 11.5661 13.7247 13.7247 13.7524 13.7524 k = 0.0521 0.0482 0.0000 ( 2301 PWs) bands (ev): -18.2814 -18.2814 -14.9360 -14.9360 -14.9306 -14.9306 -14.7546 -14.7546 -7.8742 -7.8742 -4.1260 -4.1260 -4.1196 -4.1196 -3.5004 -3.5004 -0.3527 -0.3527 0.6232 0.6232 1.3251 1.3251 1.6811 1.6811 1.7050 1.7050 1.8145 1.8145 2.7079 2.7079 2.7179 2.7179 10.5731 10.5731 11.5816 11.5816 13.7098 13.7098 13.7373 13.7373 k = 0.0625 0.0578 0.0000 ( 2301 PWs) bands (ev): -18.2746 -18.2746 -14.9372 -14.9372 -14.9319 -14.9319 -14.7702 -14.7702 -7.8543 -7.8543 -4.1168 -4.1168 -4.1103 -4.1103 -3.5092 -3.5092 -0.3448 -0.3448 0.6142 0.6142 1.3249 1.3249 1.6721 1.6721 1.6959 1.6959 1.7963 1.7963 2.7078 2.7078 2.7180 2.7180 10.6006 10.6006 11.6004 11.6004 13.6920 13.6920 13.7192 13.7192 k = 0.0729 0.0675 0.0000 ( 2301 PWs) bands (ev): -18.2665 -18.2665 -14.9387 -14.9387 -14.9334 -14.9334 -14.7885 -14.7885 -7.8310 -7.8310 -4.1059 -4.1059 -4.0994 -4.0994 -3.5196 -3.5196 -0.3355 -0.3355 0.6036 0.6036 1.3244 1.3244 1.6613 1.6613 1.6852 1.6852 1.7752 1.7752 2.7078 2.7078 2.7182 2.7182 10.6328 10.6328 11.6225 11.6225 13.6715 13.6715 13.6984 13.6984 k = 0.0833 0.0771 0.0000 ( 2297 PWs) bands (ev): -18.2572 -18.2572 -14.9404 -14.9404 -14.9350 -14.9350 -14.8094 -14.8094 -7.8043 -7.8043 -4.0935 -4.0935 -4.0869 -4.0869 -3.5315 -3.5315 -0.3248 -0.3248 0.5916 0.5916 1.3235 1.3235 1.6487 1.6487 1.6728 1.6728 1.7515 1.7515 2.7080 2.7080 2.7187 2.7187 10.6695 10.6695 11.6477 11.6477 13.6485 13.6485 13.6750 13.6750 k = 0.0938 0.0867 0.0000 ( 2301 PWs) bands (ev): -18.2467 -18.2467 -14.9423 -14.9423 -14.9369 -14.9369 -14.8328 -14.8328 -7.7743 -7.7743 -4.0795 -4.0795 -4.0729 -4.0729 -3.5450 -3.5450 -0.3127 -0.3127 0.5781 0.5781 1.3221 1.3221 1.6343 1.6343 1.6585 1.6585 1.7256 1.7256 2.7084 2.7084 2.7194 2.7194 10.7107 10.7107 11.6759 11.6759 13.6231 13.6231 13.6492 13.6492 k = 0.1042 0.0964 0.0000 ( 2301 PWs) bands (ev): -18.2350 -18.2350 -14.9444 -14.9444 -14.9390 -14.9390 -14.8587 -14.8587 -7.7411 -7.7411 -4.0639 -4.0639 -4.0573 -4.0573 -3.5601 -3.5601 -0.2992 -0.2992 0.5633 0.5633 1.3198 1.3198 1.6181 1.6181 1.6425 1.6425 1.6976 1.6976 2.7092 2.7092 2.7204 2.7204 10.7562 10.7562 11.7070 11.7070 13.5956 13.5956 13.6214 13.6214 k = 0.1146 0.1060 0.0000 ( 2301 PWs) bands (ev): -18.2220 -18.2220 -14.9467 -14.9467 -14.9413 -14.9413 -14.8869 -14.8869 -7.7048 -7.7048 -4.0469 -4.0469 -4.0402 -4.0402 -3.5767 -3.5767 -0.2845 -0.2845 0.5472 0.5472 1.3165 1.3165 1.6000 1.6000 1.6247 1.6247 1.6682 1.6682 2.7104 2.7104 2.7217 2.7217 10.8057 10.8057 11.7408 11.7408 13.5663 13.5663 13.5917 13.5917 k = 0.1250 0.1156 0.0000 ( 2301 PWs) bands (ev): -18.2079 -18.2079 -14.9493 -14.9493 -14.9437 -14.9437 -14.9171 -14.9171 -7.6655 -7.6655 -4.0284 -4.0284 -4.0216 -4.0216 -3.5948 -3.5948 -0.2684 -0.2684 0.5300 0.5300 1.3116 1.3116 1.5801 1.5801 1.6050 1.6050 1.6378 1.6378 2.7119 2.7119 2.7235 2.7235 10.8591 10.8591 11.7772 11.7772 13.5355 13.5355 13.5603 13.5603 k = 0.1354 0.1253 0.0000 ( 2289 PWs) bands (ev): -18.1926 -18.1926 -14.9544 -14.9544 -14.9472 -14.9472 -14.9463 -14.9463 -7.6233 -7.6233 -4.0085 -4.0085 -4.0016 -4.0016 -3.6145 -3.6145 -0.2511 -0.2511 0.5117 0.5117 1.3047 1.3047 1.5583 1.5583 1.5836 1.5836 1.6071 1.6071 2.7140 2.7140 2.7257 2.7257 10.9161 10.9161 11.8160 11.8160 13.5032 13.5032 13.5276 13.5276 k = 0.1458 0.1349 0.0000 ( 2289 PWs) bands (ev): -18.1761 -18.1761 -14.9851 -14.9851 -14.9539 -14.9539 -14.9490 -14.9490 -7.5784 -7.5784 -3.9873 -3.9873 -3.9803 -3.9803 -3.6356 -3.6356 -0.2325 -0.2325 0.4924 0.4924 1.2950 1.2950 1.5349 1.5349 1.5604 1.5604 1.5767 1.5767 2.7165 2.7165 2.7283 2.7283 10.9766 10.9766 11.8571 11.8571 13.4698 13.4698 13.4938 13.4938 k = 0.1562 0.1446 0.0000 ( 2306 PWs) bands (ev): -18.1584 -18.1584 -15.0214 -15.0214 -14.9569 -14.9569 -14.9519 -14.9519 -7.5308 -7.5308 -3.9648 -3.9648 -3.9577 -3.9577 -3.6583 -3.6583 -0.2128 -0.2128 0.4722 0.4722 1.2818 1.2818 1.5101 1.5101 1.5354 1.5354 1.5474 1.5474 2.7196 2.7196 2.7315 2.7315 11.0403 11.0403 11.9001 11.9001 13.4354 13.4354 13.4589 13.4589 k = 0.1667 0.1542 0.0000 ( 2306 PWs) bands (ev): -18.1397 -18.1397 -15.0596 -15.0596 -14.9600 -14.9600 -14.9549 -14.9549 -7.4808 -7.4808 -3.9410 -3.9410 -3.9338 -3.9338 -3.6824 -3.6824 -0.1919 -0.1919 0.4513 0.4513 1.2641 1.2641 1.4843 1.4843 1.5088 1.5088 1.5199 1.5199 2.7233 2.7233 2.7352 2.7352 11.1069 11.1069 11.9451 11.9451 13.4003 13.4003 13.4234 13.4234 k = 0.1771 0.1638 0.0000 ( 2306 PWs) bands (ev): -18.1198 -18.1198 -15.0995 -15.0995 -14.9631 -14.9631 -14.9580 -14.9580 -7.4283 -7.4283 -3.9161 -3.9161 -3.9088 -3.9088 -3.7080 -3.7080 -0.1700 -0.1700 0.4297 0.4297 1.2414 1.2414 1.4576 1.4576 1.4805 1.4805 1.4948 1.4948 2.7275 2.7275 2.7394 2.7394 11.1764 11.1764 11.9917 11.9917 13.3647 13.3647 13.3873 13.3873 k = 0.1875 0.1735 0.0000 ( 2294 PWs) bands (ev): -18.0988 -18.0988 -15.1410 -15.1410 -14.9664 -14.9664 -14.9612 -14.9612 -7.3736 -7.3736 -3.8901 -3.8901 -3.8827 -3.8827 -3.7350 -3.7350 -0.1470 -0.1470 0.4077 0.4077 1.2135 1.2135 1.4296 1.4296 1.4507 1.4507 1.4732 1.4732 2.7324 2.7324 2.7441 2.7441 11.2483 11.2483 12.0397 12.0397 13.3287 13.3287 13.3509 13.3509 k = 0.1979 0.1831 0.0000 ( 2290 PWs) bands (ev): -18.0767 -18.0767 -15.1839 -15.1839 -14.9697 -14.9697 -14.9645 -14.9645 -7.3167 -7.3167 -3.8632 -3.8632 -3.8555 -3.8555 -3.7635 -3.7635 -0.1232 -0.1232 0.3854 0.3854 1.1806 1.1806 1.3998 1.3998 1.4194 1.4194 1.4552 1.4552 2.7377 2.7377 2.7494 2.7494 11.3224 11.3224 12.0889 12.0889 13.2925 13.2925 13.3143 13.3143 k = 0.2083 0.1927 0.0000 ( 2270 PWs) bands (ev): -18.0535 -18.0535 -15.2281 -15.2281 -14.9730 -14.9730 -14.9678 -14.9678 -7.2579 -7.2579 -3.8355 -3.8355 -3.8274 -3.8274 -3.7932 -3.7932 -0.0985 -0.0985 0.3629 0.3629 1.1436 1.1436 1.3683 1.3683 1.3867 1.3867 1.4404 1.4404 2.7437 2.7437 2.7552 2.7552 11.3986 11.3986 12.1391 12.1391 13.2564 13.2564 13.2777 13.2777 k = 0.2188 0.2024 0.0000 ( 2270 PWs) bands (ev): -18.0294 -18.0294 -15.2734 -15.2734 -14.9764 -14.9764 -14.9712 -14.9712 -7.1972 -7.1972 -3.8264 -3.8264 -3.8051 -3.8051 -3.7984 -3.7984 -0.0732 -0.0732 0.3405 0.3405 1.1033 1.1033 1.3353 1.3353 1.3528 1.3528 1.4279 1.4279 2.7501 2.7501 2.7615 2.7615 11.4764 11.4764 12.1900 12.1900 13.2203 13.2203 13.2412 13.2412 k = 0.2292 0.2120 0.0000 ( 2274 PWs) bands (ev): -18.0042 -18.0042 -15.3198 -15.3198 -14.9799 -14.9799 -14.9747 -14.9747 -7.1347 -7.1347 -3.8584 -3.8584 -3.7764 -3.7764 -3.7687 -3.7687 -0.0474 -0.0474 0.3184 0.3184 1.0605 1.0605 1.3009 1.3009 1.3177 1.3177 1.4169 1.4169 2.7570 2.7570 2.7681 2.7681 11.5557 11.5557 12.2414 12.2414 13.1844 13.1844 13.2049 13.2049 k = 0.2396 0.2216 0.0000 ( 2286 PWs) bands (ev): -17.9780 -17.9780 -15.3671 -15.3671 -14.9834 -14.9834 -14.9782 -14.9782 -7.0706 -7.0706 -3.8927 -3.8927 -3.7463 -3.7463 -3.7384 -3.7384 -0.0215 -0.0215 0.2971 0.2971 1.0160 1.0160 1.2655 1.2655 1.2816 1.2816 1.4067 1.4067 2.7643 2.7643 2.7752 2.7752 11.6361 11.6361 12.2931 12.2931 13.1490 13.1490 13.1690 13.1690 k = 0.2500 0.2313 0.0000 ( 2286 PWs) bands (ev): -17.9510 -17.9510 -15.4152 -15.4152 -14.9869 -14.9869 -14.9817 -14.9817 -7.0050 -7.0050 -3.9285 -3.9285 -3.7156 -3.7156 -3.7075 -3.7075 0.0040 0.0040 0.2770 0.2770 0.9704 0.9704 1.2292 1.2292 1.2447 1.2447 1.3969 1.3969 2.7720 2.7720 2.7827 2.7827 11.7173 11.7173 12.3448 12.3448 13.1140 13.1140 13.1337 13.1337 k = 0.2604 0.2409 0.0000 ( 2286 PWs) bands (ev): -17.9230 -17.9230 -15.4640 -15.4640 -14.9904 -14.9904 -14.9851 -14.9851 -6.9381 -6.9381 -3.9658 -3.9658 -3.6844 -3.6844 -3.6761 -3.6761 0.0283 0.0283 0.2591 0.2591 0.9243 0.9243 1.1923 1.1923 1.2072 1.2072 1.3870 1.3870 2.7801 2.7801 2.7904 2.7904 11.7991 11.7991 12.3963 12.3963 13.0797 13.0797 13.0990 13.0990 k = 0.2708 0.2506 0.0000 ( 2286 PWs) bands (ev): -17.8941 -17.8941 -15.5133 -15.5133 -14.9938 -14.9938 -14.9886 -14.9886 -6.8698 -6.8698 -4.0045 -4.0045 -3.6529 -3.6529 -3.6445 -3.6445 0.0499 0.0499 0.2449 0.2449 0.8780 0.8780 1.1547 1.1547 1.1691 1.1691 1.3768 1.3768 2.7884 2.7884 2.7985 2.7985 11.8812 11.8812 12.4473 12.4473 13.0461 13.0461 13.0650 13.0650 k = 0.2812 0.2602 0.0000 ( 2286 PWs) bands (ev): -17.8645 -17.8645 -15.5631 -15.5631 -14.9972 -14.9972 -14.9920 -14.9920 -6.8005 -6.8005 -4.0447 -4.0447 -3.6212 -3.6212 -3.6126 -3.6126 0.0666 0.0666 0.2368 0.2368 0.8319 0.8319 1.1169 1.1169 1.1306 1.1306 1.3660 1.3660 2.7969 2.7969 2.8067 2.8067 11.9631 11.9631 12.4976 12.4976 13.0134 13.0134 13.0319 13.0319 k = 0.2917 0.2698 0.0000 ( 2278 PWs) bands (ev): -17.8341 -17.8341 -15.6131 -15.6131 -15.0006 -15.0006 -14.9954 -14.9954 -6.7301 -6.7301 -4.0863 -4.0863 -3.5894 -3.5894 -3.5806 -3.5806 0.0755 0.0755 0.2374 0.2374 0.7863 0.7863 1.0788 1.0788 1.0920 1.0920 1.3545 1.3545 2.8056 2.8056 2.8150 2.8150 12.0447 12.0447 12.5470 12.5470 12.9816 12.9816 12.9997 12.9997 k = 0.3021 0.2795 0.0000 ( 2278 PWs) bands (ev): -17.8030 -17.8030 -15.6633 -15.6633 -15.0039 -15.0039 -14.9987 -14.9987 -6.6589 -6.6589 -4.1295 -4.1295 -3.5577 -3.5577 -3.5487 -3.5487 0.0754 0.0754 0.2482 0.2482 0.7415 0.7415 1.0408 1.0408 1.0534 1.0534 1.3422 1.3422 2.8144 2.8144 2.8235 2.8235 12.1254 12.1254 12.5953 12.5953 12.9508 12.9508 12.9685 12.9685 k = 0.3125 0.2891 0.0000 ( 2270 PWs) bands (ev): -17.7713 -17.7713 -15.7136 -15.7136 -15.0072 -15.0072 -15.0019 -15.0019 -6.5869 -6.5869 -4.1740 -4.1740 -3.5263 -3.5263 -3.5170 -3.5170 0.0679 0.0679 0.2676 0.2676 0.6978 0.6978 1.0030 1.0030 1.0151 1.0151 1.3290 1.3290 2.8232 2.8232 2.8319 2.8319 12.2051 12.2051 12.6423 12.6423 12.9211 12.9211 12.9384 12.9384 k = 0.3229 0.2987 0.0000 ( 2270 PWs) bands (ev): -17.7390 -17.7390 -15.7637 -15.7637 -15.0103 -15.0103 -15.0051 -15.0051 -6.5142 -6.5142 -4.2200 -4.2200 -3.4951 -3.4951 -3.4857 -3.4857 0.0557 0.0557 0.2927 0.2927 0.6554 0.6554 0.9656 0.9656 0.9771 0.9771 1.3147 1.3147 2.8319 2.8319 2.8404 2.8404 12.2833 12.2833 12.6876 12.6876 12.8927 12.8927 12.9095 12.9095 k = 0.3333 0.3084 0.0000 ( 2282 PWs) bands (ev): -17.7064 -17.7064 -15.8135 -15.8135 -15.0134 -15.0134 -15.0081 -15.0081 -6.4410 -6.4410 -4.2675 -4.2675 -3.4645 -3.4645 -3.4549 -3.4549 0.0411 0.0411 0.3212 0.3212 0.6147 0.6147 0.9288 0.9288 0.9398 0.9398 1.2994 1.2994 2.8406 2.8406 2.8486 2.8486 12.3596 12.3596 12.7311 12.7311 12.8657 12.8657 12.8818 12.8818 k = 0.3438 0.3180 0.0000 ( 2282 PWs) bands (ev): -17.6734 -17.6734 -15.8629 -15.8629 -15.0163 -15.0163 -15.0111 -15.0111 -6.3675 -6.3675 -4.3163 -4.3163 -3.4346 -3.4346 -3.4248 -3.4248 0.0254 0.0254 0.3517 0.3517 0.5759 0.5759 0.8928 0.8928 0.9033 0.9033 1.2830 1.2830 2.8491 2.8491 2.8568 2.8568 12.4336 12.4336 12.7720 12.7720 12.8407 12.8407 12.8554 12.8554 k = 0.3542 0.3277 0.0000 ( 2282 PWs) bands (ev): -17.6402 -17.6402 -15.9116 -15.9116 -15.0191 -15.0191 -15.0138 -15.0138 -6.2936 -6.2936 -4.3665 -4.3665 -3.4055 -3.4055 -3.3955 -3.3955 0.0095 0.0095 0.3827 0.3827 0.5397 0.5397 0.8578 0.8578 0.8678 0.8678 1.2655 1.2655 2.8574 2.8574 2.8647 2.8647 12.5051 12.5051 12.8021 12.8021 12.8255 12.8255 12.8309 12.8309 k = 0.3646 0.3373 0.0000 ( 2282 PWs) bands (ev): -17.6069 -17.6069 -15.9595 -15.9595 -15.0217 -15.0217 -15.0165 -15.0165 -6.2196 -6.2196 -4.4181 -4.4181 -3.3774 -3.3774 -3.3672 -3.3672 -0.0062 -0.0062 0.4122 0.4122 0.5081 0.5081 0.8241 0.8241 0.8335 0.8335 1.2468 1.2468 2.8654 2.8654 2.8723 2.8723 12.5734 12.5734 12.7884 12.7884 12.8068 12.8068 12.8545 12.8545 k = 0.3750 0.3469 0.0000 ( 2290 PWs) bands (ev): -17.5738 -17.5738 -16.0064 -16.0064 -15.0242 -15.0242 -15.0190 -15.0190 -6.1455 -6.1455 -4.4710 -4.4710 -3.3505 -3.3505 -3.3401 -3.3401 -0.0214 -0.0214 0.4305 0.4305 0.4903 0.4903 0.7918 0.7918 0.8008 0.8008 1.2270 1.2270 2.8731 2.8731 2.8797 2.8797 12.6382 12.6382 12.7678 12.7678 12.7848 12.7848 12.8891 12.8891 k = 0.3854 0.3566 0.0000 ( 2282 PWs) bands (ev): -17.5410 -17.5410 -16.0520 -16.0520 -15.0266 -15.0266 -15.0213 -15.0213 -6.0716 -6.0716 -4.5251 -4.5251 -3.3249 -3.3249 -3.3143 -3.3143 -0.0358 -0.0358 0.4197 0.4197 0.5043 0.5043 0.7611 0.7611 0.7696 0.7696 1.2061 1.2061 2.8804 2.8804 2.8866 2.8866 12.6988 12.6988 12.7485 12.7485 12.7644 12.7644 12.9223 12.9223 k = 0.3958 0.3662 0.0000 ( 2290 PWs) bands (ev): -17.5088 -17.5088 -16.0961 -16.0961 -15.0287 -15.0287 -15.0235 -15.0235 -5.9980 -5.9980 -4.5804 -4.5804 -3.3009 -3.3009 -3.2901 -3.2901 -0.0493 -0.0493 0.3958 0.3958 0.5340 0.5340 0.7323 0.7323 0.7404 0.7404 1.1841 1.1841 2.8872 2.8872 2.8931 2.8931 12.7277 12.7277 12.7451 12.7451 12.7583 12.7583 12.9533 12.9533 k = 0.4062 0.3758 0.0000 ( 2290 PWs) bands (ev): -17.4774 -17.4774 -16.1382 -16.1382 -15.0307 -15.0307 -15.0255 -15.0255 -5.9249 -5.9249 -4.6367 -4.6367 -3.2785 -3.2785 -3.2676 -3.2676 -0.0617 -0.0617 0.3709 0.3709 0.5671 0.5671 0.7055 0.7055 0.7132 0.7132 1.1611 1.1611 2.8935 2.8935 2.8991 2.8991 12.7118 12.7118 12.7282 12.7282 12.8093 12.8093 12.9819 12.9819 k = 0.4167 0.3855 0.0000 ( 2282 PWs) bands (ev): -17.4473 -17.4473 -16.1780 -16.1780 -15.0325 -15.0325 -15.0273 -15.0273 -5.8525 -5.8525 -4.6939 -4.6939 -3.2579 -3.2579 -3.2468 -3.2468 -0.0731 -0.0731 0.3475 0.3475 0.6011 0.6011 0.6809 0.6809 0.6883 0.6883 1.1371 1.1371 2.8994 2.8994 2.9046 2.9046 12.6967 12.6967 12.7127 12.7127 12.8564 12.8564 13.0083 13.0083 k = 0.4271 0.3951 0.0000 ( 2290 PWs) bands (ev): -17.4188 -17.4188 -16.2152 -16.2152 -15.0341 -15.0341 -15.0289 -15.0289 -5.7811 -5.7811 -4.7517 -4.7517 -3.2394 -3.2394 -3.2282 -3.2282 -0.0832 -0.0832 0.3263 0.3263 0.6350 0.6350 0.6590 0.6590 0.6659 0.6659 1.1124 1.1124 2.9046 2.9046 2.9095 2.9095 12.6832 12.6832 12.6989 12.6989 12.8982 12.8982 13.0322 13.0322 k = 0.4375 0.4047 0.0000 ( 2290 PWs) bands (ev): -17.3924 -17.3924 -16.2491 -16.2491 -15.0356 -15.0356 -15.0303 -15.0303 -5.7110 -5.7110 -4.8099 -4.8099 -3.2230 -3.2230 -3.2116 -3.2116 -0.0921 -0.0921 0.3077 0.3077 0.6389 0.6389 0.6458 0.6458 0.6695 0.6695 1.0869 1.0869 2.9092 2.9092 2.9138 2.9138 12.6714 12.6714 12.6869 12.6869 12.9345 12.9345 13.0537 13.0537 k = 0.4479 0.4144 0.0000 ( 2298 PWs) bands (ev): -17.3686 -17.3686 -16.2793 -16.2793 -15.0368 -15.0368 -15.0315 -15.0315 -5.6431 -5.6431 -4.8677 -4.8677 -3.2089 -3.2089 -3.1974 -3.1974 -0.0996 -0.0996 0.2917 0.2917 0.6222 0.6222 0.6288 0.6288 0.7023 0.7023 1.0611 1.0611 2.9132 2.9132 2.9175 2.9175 12.6613 12.6613 12.6766 12.6766 12.9649 12.9649 13.0726 13.0726 k = 0.4583 0.4240 0.0000 ( 2298 PWs) bands (ev): -17.3480 -17.3480 -16.3052 -16.3052 -15.0377 -15.0377 -15.0325 -15.0325 -5.5781 -5.5781 -4.9244 -4.9244 -3.1972 -3.1972 -3.1856 -3.1856 -0.1059 -0.1059 0.2785 0.2785 0.6083 0.6083 0.6147 0.6147 0.7341 0.7341 1.0353 1.0353 2.9165 2.9165 2.9206 2.9206 12.6530 12.6530 12.6682 12.6682 12.9895 12.9895 13.0888 13.0888 k = 0.4688 0.4337 0.0000 ( 2298 PWs) bands (ev): -17.3312 -17.3312 -16.3261 -16.3261 -15.0385 -15.0385 -15.0333 -15.0333 -5.5179 -5.5179 -4.9780 -4.9780 -3.1879 -3.1879 -3.1763 -3.1763 -0.1107 -0.1107 0.2682 0.2682 0.5973 0.5973 0.6035 0.6035 0.7637 0.7637 1.0103 1.0103 2.9191 2.9191 2.9230 2.9230 12.6466 12.6466 12.6617 12.6617 13.0083 13.0083 13.1019 13.1019 k = 0.4792 0.4433 0.0000 ( 2306 PWs) bands (ev): -17.3187 -17.3187 -16.3416 -16.3416 -15.0391 -15.0391 -15.0339 -15.0339 -5.4659 -5.4659 -5.0254 -5.0254 -3.1813 -3.1813 -3.1696 -3.1696 -0.1143 -0.1143 0.2607 0.2607 0.5894 0.5894 0.5955 0.5955 0.7897 0.7897 0.9878 0.9878 2.9209 2.9209 2.9247 2.9247 12.6419 12.6419 12.6570 12.6570 13.0215 13.0215 13.1116 13.1116 k = 0.4896 0.4529 0.0000 ( 2290 PWs) bands (ev): -17.3109 -17.3109 -16.3511 -16.3511 -15.0394 -15.0394 -15.0342 -15.0342 -5.4282 -5.4282 -5.0603 -5.0603 -3.1773 -3.1773 -3.1655 -3.1655 -0.1164 -0.1164 0.2563 0.2563 0.5846 0.5846 0.5907 0.5907 0.8088 0.8088 0.9707 0.9707 2.9221 2.9221 2.9258 2.9258 12.6392 12.6392 12.6542 12.6542 13.0293 13.0293 13.1176 13.1176 k = 0.5000 0.4626 0.0000 ( 2278 PWs) bands (ev): -17.3083 -17.3083 -16.3543 -16.3543 -15.0395 -15.0395 -15.0343 -15.0343 -5.4139 -5.4139 -5.0736 -5.0736 -3.1759 -3.1759 -3.1642 -3.1642 -0.1170 -0.1170 0.2548 0.2548 0.5830 0.5830 0.5890 0.5890 0.8162 0.8162 0.9640 0.9640 2.9225 2.9225 2.9261 2.9261 12.6383 12.6383 12.6533 12.6533 13.0319 13.0319 13.1196 13.1196 k = 0.5000 0.4626 0.0000 ( 2278 PWs) bands (ev): -17.3083 -17.3083 -16.3543 -16.3543 -15.0395 -15.0395 -15.0343 -15.0343 -5.4139 -5.4139 -5.0736 -5.0736 -3.1759 -3.1759 -3.1642 -3.1642 -0.1170 -0.1170 0.2548 0.2548 0.5830 0.5830 0.5890 0.5890 0.8162 0.8162 0.9640 0.9640 2.9225 2.9225 2.9261 2.9261 12.6383 12.6383 12.6533 12.6533 13.0319 13.0319 13.1196 13.1196 k = 0.4932 0.4699 0.0100 ( 2294 PWs) bands (ev): -17.3083 -17.3083 -16.3544 -16.3542 -15.0397 -15.0393 -15.0343 -15.0343 -5.4142 -5.4140 -5.0742 -5.0736 -3.1762 -3.1758 -3.1644 -3.1640 -0.1199 -0.1182 0.2485 0.2514 0.5790 0.5805 0.5942 0.5964 0.8187 0.8199 0.9668 0.9672 2.9218 2.9222 2.9255 2.9259 12.6361 12.6380 12.6519 12.6522 13.0329 13.0347 13.1207 13.1210 k = 0.4864 0.4773 0.0201 ( 2302 PWs) bands (ev): -17.3082 -17.3082 -16.3545 -16.3541 -15.0398 -15.0392 -15.0342 -15.0342 -5.4150 -5.4147 -5.0752 -5.0740 -3.1770 -3.1764 -3.1645 -3.1634 -0.1268 -0.1236 0.2345 0.2399 0.5636 0.5655 0.6176 0.6205 0.8263 0.8285 0.9756 0.9764 2.9203 2.9211 2.9241 2.9248 12.6316 12.6352 12.6484 12.6491 13.0377 13.0411 13.1245 13.1249 k = 0.4796 0.4847 0.0301 ( 2302 PWs) bands (ev): -17.3081 -17.3081 -16.3547 -16.3540 -15.0401 -15.0391 -15.0340 -15.0338 -5.4164 -5.4160 -5.0765 -5.0747 -3.1792 -3.1785 -3.1636 -3.1616 -0.1381 -0.1334 0.2170 0.2243 0.5406 0.5428 0.6532 0.6566 0.8362 0.8391 0.9905 0.9917 2.9178 2.9191 2.9220 2.9230 12.6244 12.6295 12.6431 12.6445 13.0459 13.0507 13.1310 13.1316 k = 0.4728 0.4920 0.0401 ( 2303 PWs) bands (ev): -17.3080 -17.3079 -16.3548 -16.3539 -15.0405 -15.0392 -15.0336 -15.0332 -5.4189 -5.4183 -5.0777 -5.0753 -3.1831 -3.1824 -3.1612 -3.1582 -0.1540 -0.1481 0.2000 0.2086 0.5128 0.5153 0.6970 0.7007 0.8462 0.8495 1.0113 1.0127 2.9142 2.9161 2.9192 2.9204 12.6145 12.6205 12.6368 12.6392 13.0568 13.0628 13.1405 13.1412 k = 0.4659 0.4994 0.0501 ( 2299 PWs) bands (ev): -17.3079 -17.3078 -16.3548 -16.3537 -15.0411 -15.0396 -15.0328 -15.0322 -5.4227 -5.4220 -5.0784 -5.0755 -3.1888 -3.1880 -3.1573 -3.1535 -0.1746 -0.1678 0.1860 0.1953 0.4822 0.4848 0.7464 0.7501 0.8554 0.8590 1.0370 1.0385 2.9096 2.9121 2.9158 2.9172 12.6017 12.6084 12.6300 12.6337 13.0699 13.0764 13.1533 13.1540 k = 0.4591 0.5067 0.0602 ( 2303 PWs) bands (ev): -17.3078 -17.3078 -16.3547 -16.3534 -15.0420 -15.0403 -15.0317 -15.0308 -5.4284 -5.4276 -5.0781 -5.0747 -3.1961 -3.1952 -3.1523 -3.1477 -0.1996 -0.1922 0.1764 0.1861 0.4501 0.4527 0.7991 0.8028 0.8640 0.8677 1.0665 1.0680 2.9039 2.9068 2.9119 2.9133 12.5864 12.5935 12.6230 12.6279 13.0844 13.0910 13.1692 13.1706 k = 0.4523 0.5141 0.0702 ( 2299 PWs) bands (ev): -17.3079 -17.3079 -16.3544 -16.3529 -15.0430 -15.0411 -15.0302 -15.0291 -5.4364 -5.4354 -5.0763 -5.0725 -3.2049 -3.2038 -3.1463 -3.1409 -0.2283 -0.2206 0.1715 0.1812 0.4171 0.4198 0.8505 0.8544 0.8759 0.8794 1.0986 1.1002 2.8971 2.9005 2.9074 2.9088 12.5686 12.5760 12.6163 12.6220 13.0998 13.1061 13.1885 13.1907 k = 0.4455 0.5215 0.0802 ( 2295 PWs) bands (ev): -17.3082 -17.3082 -16.3539 -16.3522 -15.0442 -15.0421 -15.0284 -15.0271 -5.4473 -5.4461 -5.0725 -5.0683 -3.2149 -3.2138 -3.1393 -3.1333 -0.2598 -0.2521 0.1712 0.1805 0.3840 0.3867 0.8719 0.8770 0.9183 0.9224 1.1325 1.1341 2.8892 2.8930 2.9023 2.9038 12.5488 12.5564 12.6098 12.6164 13.1158 13.1215 13.2110 13.2143 k = 0.4387 0.5288 0.0903 ( 2299 PWs) bands (ev): -17.3088 -17.3087 -16.3531 -16.3512 -15.0456 -15.0433 -15.0264 -15.0248 -5.4613 -5.4600 -5.0664 -5.0619 -3.2263 -3.2250 -3.1316 -3.1250 -0.2933 -0.2857 0.1747 0.1834 0.3512 0.3539 0.8796 0.8848 0.9765 0.9804 1.1674 1.1690 2.8800 2.8843 2.8967 2.8981 12.5271 12.5348 12.6038 12.6110 13.1322 13.1373 13.2363 13.2407 k = 0.4319 0.5362 0.1003 ( 2299 PWs) bands (ev): -17.3097 -17.3097 -16.3518 -16.3497 -15.0469 -15.0445 -15.0240 -15.0222 -5.4787 -5.4771 -5.0577 -5.0529 -3.2389 -3.2374 -3.1232 -3.1160 -0.3278 -0.3204 0.1815 0.1893 0.3190 0.3218 0.8861 0.8915 1.0367 1.0405 1.2029 1.2046 2.8697 2.8744 2.8904 2.8919 12.5037 12.5116 12.5985 12.6061 13.1492 13.1536 13.2640 13.2695 k = 0.4251 0.5435 0.1103 ( 2301 PWs) bands (ev): -17.3111 -17.3111 -16.3501 -16.3478 -15.0483 -15.0457 -15.0213 -15.0193 -5.4995 -5.4978 -5.0463 -5.0414 -3.2527 -3.2510 -3.1143 -3.1065 -0.3627 -0.3555 0.1906 0.1971 0.2883 0.2913 0.8925 0.8982 1.0979 1.1014 1.2386 1.2404 2.8582 2.8633 2.8837 2.8852 12.4789 12.4869 12.5939 12.6018 13.1667 13.1705 13.2938 13.3002 k = 0.4183 0.5509 0.1203 ( 2301 PWs) bands (ev): -17.3131 -17.3130 -16.3477 -16.3453 -15.0497 -15.0469 -15.0184 -15.0162 -5.5237 -5.5217 -5.0324 -5.0272 -3.2676 -3.2658 -3.1049 -3.0966 -0.3974 -0.3904 0.2002 0.2041 0.2605 0.2650 0.8990 0.9049 1.1594 1.1626 1.2743 1.2763 2.8454 2.8509 2.8764 2.8780 12.4528 12.4610 12.5901 12.5983 13.1849 13.1882 13.3252 13.3323 k = 0.4115 0.5583 0.1304 ( 2297 PWs) bands (ev): -17.3157 -17.3156 -16.3446 -16.3421 -15.0511 -15.0481 -15.0153 -15.0129 -5.5511 -5.5489 -5.0160 -5.0107 -3.2835 -3.2816 -3.0951 -3.0863 -0.4314 -0.4246 0.2011 0.2029 0.2430 0.2518 0.9056 0.9118 1.2209 1.2236 1.3098 1.3123 2.8315 2.8373 2.8687 2.8703 12.4257 12.4340 12.5871 12.5955 13.2038 13.2067 13.3577 13.3656 k = 0.4047 0.5656 0.1404 ( 2297 PWs) bands (ev): -17.3190 -17.3189 -16.3407 -16.3380 -15.0524 -15.0493 -15.0119 -15.0093 -5.5815 -5.5792 -4.9975 -4.9920 -3.3005 -3.2984 -3.0850 -3.0758 -0.4643 -0.4576 0.1823 0.1858 0.2479 0.2579 0.9126 0.9190 1.2819 1.2836 1.3453 1.3489 2.8162 2.8224 2.8606 2.8622 12.3978 12.4063 12.5851 12.5936 13.2234 13.2258 13.3912 13.3997 k = 0.3978 0.5730 0.1504 ( 2293 PWs) bands (ev): -17.3232 -17.3231 -16.3359 -16.3331 -15.0535 -15.0503 -15.0082 -15.0054 -5.6147 -5.6121 -4.9770 -4.9714 -3.3184 -3.3162 -3.0748 -3.0652 -0.4959 -0.4893 0.1576 0.1609 0.2637 0.2730 0.9199 0.9265 1.3401 1.3413 1.3818 1.3876 2.7997 2.8063 2.8520 2.8536 12.3693 12.3779 12.5840 12.5926 13.2434 13.2456 13.4252 13.4343 k = 0.3910 0.5804 0.1605 ( 2289 PWs) bands (ev): -17.3283 -17.3283 -16.3300 -16.3271 -15.0546 -15.0512 -15.0043 -15.0014 -5.6504 -5.6477 -4.9548 -4.9491 -3.3373 -3.3349 -3.0645 -3.0545 -0.5258 -0.5193 0.1324 0.1354 0.2830 0.2917 0.9275 0.9344 1.3893 1.3932 1.4242 1.4329 2.7819 2.7888 2.8431 2.8448 12.3405 12.3492 12.5838 12.5924 13.2639 13.2660 13.4596 13.4692 k = 0.3842 0.5877 0.1705 ( 2293 PWs) bands (ev): -17.3345 -17.3344 -16.3230 -16.3200 -15.0554 -15.0519 -15.0002 -14.9971 -5.6883 -5.6855 -4.9312 -4.9254 -3.3570 -3.3545 -3.0541 -3.0438 -0.5540 -0.5476 0.1080 0.1108 0.3044 0.3126 0.9354 0.9426 1.4284 1.4325 1.4776 1.4866 2.7628 2.7701 2.8339 2.8356 12.3113 12.3203 12.5845 12.5931 13.2847 13.2868 13.4941 13.5041 k = 0.3774 0.5951 0.1805 ( 2285 PWs) bands (ev): -17.3417 -17.3417 -16.3148 -16.3117 -15.0561 -15.0525 -14.9959 -14.9926 -5.7283 -5.7254 -4.9064 -4.9005 -3.3774 -3.3748 -3.0438 -3.0332 -0.5802 -0.5738 0.0849 0.0875 0.3275 0.3352 0.9437 0.9511 1.4618 1.4652 1.5359 1.5442 2.7425 2.7501 2.8245 2.8262 12.2822 12.2914 12.5861 12.5946 13.3056 13.3077 13.5285 13.5389 k = 0.3706 0.6024 0.1905 ( 2285 PWs) bands (ev): -17.3502 -17.3501 -16.3053 -16.3020 -15.0566 -15.0529 -14.9914 -14.9879 -5.7702 -5.7672 -4.8808 -4.8747 -3.3986 -3.3958 -3.0337 -3.0228 -0.6043 -0.5980 0.0634 0.0658 0.3518 0.3592 0.9522 0.9599 1.4921 1.4951 1.5949 1.6027 2.7210 2.7289 2.8148 2.8166 12.2533 12.2626 12.5885 12.5970 13.3263 13.3287 13.5625 13.5732 k = 0.3638 0.6098 0.2006 ( 2285 PWs) bands (ev): -17.3598 -17.3598 -16.2943 -16.2910 -15.0568 -15.0531 -14.9866 -14.9829 -5.8138 -5.8107 -4.8544 -4.8482 -3.4204 -3.4175 -3.0238 -3.0127 -0.6264 -0.6200 0.0437 0.0459 0.3773 0.3844 0.9611 0.9690 1.5203 1.5231 1.6535 1.6610 2.6984 2.7066 2.8050 2.8068 12.2247 12.2342 12.5917 12.6001 13.3466 13.3494 13.5959 13.6069 k = 0.3570 0.6172 0.2106 ( 2285 PWs) bands (ev): -17.3707 -17.3707 -16.2819 -16.2786 -15.0569 -15.0530 -14.9817 -14.9778 -5.8588 -5.8557 -4.8275 -4.8212 -3.4428 -3.4397 -3.0142 -3.0029 -0.6462 -0.6398 0.0260 0.0280 0.4039 0.4107 0.9702 0.9783 1.5466 1.5493 1.7113 1.7187 2.6748 2.6832 2.7952 2.7969 12.1965 12.2063 12.5956 12.6039 13.3663 13.3694 13.6285 13.6399 k = 0.3570 0.6172 0.2106 ( 2285 PWs) bands (ev): -17.3707 -17.3707 -16.2819 -16.2786 -15.0569 -15.0530 -14.9817 -14.9778 -5.8588 -5.8557 -4.8275 -4.8212 -3.4428 -3.4397 -3.0142 -3.0029 -0.6462 -0.6398 0.0260 0.0280 0.4039 0.4107 0.9702 0.9783 1.5466 1.5493 1.7113 1.7187 2.6748 2.6832 2.7952 2.7969 12.1965 12.2063 12.5956 12.6039 13.3663 13.3694 13.6285 13.6399 k = 0.3447 0.6132 0.2160 ( 2285 PWs) bands (ev): -17.3780 -17.3780 -16.2736 -16.2702 -15.0566 -15.0527 -14.9788 -14.9749 -5.8865 -5.8833 -4.8104 -4.8041 -3.4556 -3.4524 -3.0099 -2.9985 -0.6554 -0.6490 0.0179 0.0198 0.4191 0.4257 0.9734 0.9817 1.5613 1.5641 1.7426 1.7500 2.6617 2.6702 2.7897 2.7915 12.1819 12.1917 12.5983 12.6066 13.3755 13.3788 13.6453 13.6568 k = 0.3324 0.6092 0.2215 ( 2288 PWs) bands (ev): -17.3873 -17.3873 -16.2630 -16.2596 -15.0560 -15.0521 -14.9758 -14.9718 -5.9192 -5.9161 -4.7891 -4.7827 -3.4691 -3.4659 -3.0070 -2.9956 -0.6626 -0.6561 0.0113 0.0134 0.4351 0.4416 0.9732 0.9817 1.5777 1.5809 1.7745 1.7818 2.6486 2.6572 2.7839 2.7858 12.1680 12.1780 12.6018 12.6101 13.3824 13.3859 13.6609 13.6724 k = 0.3201 0.6052 0.2269 ( 2290 PWs) bands (ev): -17.3982 -17.3982 -16.2505 -16.2471 -15.0550 -15.0510 -14.9726 -14.9685 -5.9561 -5.9530 -4.7643 -4.7579 -3.4834 -3.4801 -3.0057 -2.9942 -0.6679 -0.6615 0.0064 0.0086 0.4522 0.4585 0.9699 0.9788 1.5955 1.5992 1.8064 1.8138 2.6357 2.6443 2.7780 2.7801 12.1551 12.1651 12.6062 12.6144 13.3869 13.3905 13.6753 13.6869 k = 0.3077 0.6012 0.2323 ( 2294 PWs) bands (ev): -17.4105 -17.4105 -16.2365 -16.2331 -15.0535 -15.0495 -14.9693 -14.9651 -5.9963 -5.9932 -4.7368 -4.7304 -3.4981 -3.4948 -3.0058 -2.9943 -0.6714 -0.6650 0.0028 0.0053 0.4701 0.4763 0.9637 0.9731 1.6144 1.6186 1.8382 1.8455 2.6232 2.6319 2.7719 2.7743 12.1431 12.1531 12.6114 12.6196 13.3893 13.3930 13.6886 13.7001 k = 0.2954 0.5972 0.2378 ( 2289 PWs) bands (ev): -17.4240 -17.4239 -16.2212 -16.2178 -15.0517 -15.0477 -14.9657 -14.9614 -6.0389 -6.0358 -4.7074 -4.7010 -3.5132 -3.5097 -3.0073 -2.9958 -0.6733 -0.6669 0.0005 0.0034 0.4889 0.4949 0.9552 0.9651 1.6338 1.6386 1.8693 1.8767 2.6115 2.6201 2.7659 2.7686 12.1319 12.1419 12.6175 12.6258 13.3896 13.3933 13.7007 13.7122 k = 0.2831 0.5932 0.2432 ( 2285 PWs) bands (ev): -17.4383 -17.4382 -16.2050 -16.2016 -15.0494 -15.0454 -14.9620 -14.9576 -6.0834 -6.0803 -4.6766 -4.6703 -3.5283 -3.5248 -3.0101 -2.9986 -0.6735 -0.6671 -0.0006 0.0027 0.5084 0.5143 0.9448 0.9553 1.6532 1.6587 1.8993 1.9067 2.6009 2.6093 2.7601 2.7631 12.1217 12.1316 12.6246 12.6329 13.3881 13.3917 13.7118 13.7232 k = 0.2708 0.5892 0.2486 ( 2289 PWs) bands (ev): -17.4532 -17.4531 -16.1881 -16.1848 -15.0468 -15.0428 -14.9581 -14.9535 -6.1290 -6.1260 -4.6451 -4.6387 -3.5434 -3.5399 -3.0142 -3.0027 -0.6722 -0.6659 -0.0007 0.0030 0.5287 0.5344 0.9330 0.9441 1.6723 1.6784 1.9278 1.9353 2.5914 2.5997 2.7546 2.7580 12.1123 12.1221 12.6325 12.6408 13.3848 13.3883 13.7217 13.7330 k = 0.2585 0.5853 0.2541 ( 2291 PWs) bands (ev): -17.4685 -17.4684 -16.1709 -16.1676 -15.0439 -15.0398 -14.9540 -14.9494 -6.1753 -6.1723 -4.6131 -4.6068 -3.5582 -3.5546 -3.0195 -3.0081 -0.6695 -0.6633 -0.0000 0.0041 0.5494 0.5549 0.9203 0.9322 1.6904 1.6971 1.9545 1.9619 2.5836 2.5916 2.7496 2.7535 12.1038 12.1134 12.6414 12.6497 13.3800 13.3834 13.7306 13.7416 k = 0.2462 0.5813 0.2595 ( 2299 PWs) bands (ev): -17.4840 -17.4839 -16.1536 -16.1503 -15.0406 -15.0366 -14.9497 -14.9450 -6.2217 -6.2189 -4.5813 -4.5750 -3.5725 -3.5688 -3.0260 -3.0146 -0.6655 -0.6594 0.0014 0.0059 0.5702 0.5756 0.9074 0.9200 1.7070 1.7144 1.9789 1.9863 2.5775 2.5852 2.7454 2.7498 12.0962 12.1056 12.6511 12.6594 13.3739 13.3772 13.7383 13.7492 k = 0.2339 0.5773 0.2649 ( 2293 PWs) bands (ev): -17.4996 -17.4995 -16.1363 -16.1331 -15.0371 -15.0331 -14.9452 -14.9405 -6.2679 -6.2652 -4.5499 -4.5437 -3.5860 -3.5822 -3.0336 -3.0223 -0.6603 -0.6542 0.0033 0.0082 0.5907 0.5961 0.8950 0.9085 1.7217 1.7297 2.0009 2.0081 2.5732 2.5806 2.7424 2.7473 12.0894 12.0985 12.6617 12.6699 13.3666 13.3698 13.7450 13.7556 k = 0.2216 0.5733 0.2704 ( 2293 PWs) bands (ev): -17.5150 -17.5149 -16.1193 -16.1162 -15.0333 -15.0293 -14.9406 -14.9358 -6.3136 -6.3109 -4.5192 -4.5131 -3.5986 -3.5947 -3.0422 -3.0310 -0.6539 -0.6480 0.0056 0.0109 0.6100 0.6155 0.8840 0.8985 1.7338 1.7425 2.0203 2.0274 2.5706 2.5776 2.7409 2.7462 12.0834 12.0922 12.6731 12.6812 13.3584 13.3615 13.7506 13.7610 k = 0.2093 0.5693 0.2758 ( 2298 PWs) bands (ev): -17.5302 -17.5301 -16.1028 -16.0998 -15.0294 -15.0255 -14.9358 -14.9310 -6.3584 -6.3558 -4.4896 -4.4836 -3.6100 -3.6061 -3.0518 -3.0407 -0.6465 -0.6407 0.0083 0.0138 0.6272 0.6329 0.8758 0.8912 1.7429 1.7522 2.0373 2.0442 2.5694 2.5761 2.7412 2.7471 12.0781 12.0866 12.6850 12.6930 13.3495 13.3524 13.7553 13.7653 k = 0.1970 0.5653 0.2812 ( 2296 PWs) bands (ev): -17.5450 -17.5449 -16.0869 -16.0839 -15.0253 -15.0215 -14.9309 -14.9260 -6.4019 -6.3994 -4.4613 -4.4555 -3.6200 -3.6160 -3.0623 -3.0514 -0.6383 -0.6326 0.0110 0.0169 0.6410 0.6468 0.8720 0.8881 1.7485 1.7584 2.0522 2.0588 2.5692 2.5755 2.7439 2.7501 12.0737 12.0818 12.6976 12.7054 13.3400 13.3428 13.7590 13.7687 k = 0.1846 0.5613 0.2866 ( 2295 PWs) bands (ev): -17.5593 -17.5592 -16.0716 -16.0688 -15.0212 -15.0175 -14.9258 -14.9210 -6.4441 -6.4417 -4.4345 -4.4290 -3.6284 -3.6243 -3.0736 -3.0628 -0.6293 -0.6238 0.0139 0.0200 0.6501 0.6558 0.8741 0.8907 1.7502 1.7606 2.0653 2.0716 2.5693 2.5753 2.7491 2.7556 12.0699 12.0777 12.7105 12.7181 13.3301 13.3328 13.7619 13.7713 k = 0.1723 0.5573 0.2921 ( 2302 PWs) bands (ev): -17.5731 -17.5730 -16.0571 -16.0544 -15.0171 -15.0135 -14.9205 -14.9159 -6.4845 -6.4823 -4.4095 -4.4043 -3.6351 -3.6309 -3.0857 -3.0751 -0.6196 -0.6143 0.0167 0.0230 0.6538 0.6590 0.8833 0.8997 1.7478 1.7585 2.0770 2.0831 2.5692 2.5750 2.7571 2.7636 12.0668 12.0741 12.7237 12.7311 13.3200 13.3226 13.7640 13.7730 k = 0.1600 0.5534 0.2975 ( 2302 PWs) bands (ev): -17.5862 -17.5861 -16.0435 -16.0409 -15.0131 -15.0096 -14.9152 -14.9107 -6.5231 -6.5210 -4.3865 -4.3815 -3.6399 -3.6356 -3.0983 -3.0880 -0.6095 -0.6044 0.0194 0.0259 0.6521 0.6567 0.8994 0.9152 1.7412 1.7522 2.0879 2.0936 2.5687 2.5742 2.7677 2.7740 12.0644 12.0713 12.7370 12.7441 13.3098 13.3123 13.7655 13.7741 k = 0.1477 0.5494 0.3029 ( 2304 PWs) bands (ev): -17.5985 -17.5984 -16.0308 -16.0284 -15.0092 -15.0058 -14.9099 -14.9055 -6.5596 -6.5576 -4.3656 -4.3610 -3.6427 -3.6383 -3.1115 -3.1014 -0.5990 -0.5942 0.0220 0.0285 0.6460 0.6500 0.9213 0.9363 1.7305 1.7417 2.0982 2.1035 2.5676 2.5727 2.7804 2.7865 12.0625 12.0690 12.7502 12.7570 13.2997 13.3022 13.7664 13.7746 k = 0.1354 0.5454 0.3084 ( 2304 PWs) bands (ev): -17.6101 -17.6100 -16.0190 -16.0168 -15.0054 -15.0022 -14.9046 -14.9004 -6.5938 -6.5919 -4.3469 -4.3426 -3.6435 -3.6390 -3.1250 -3.1153 -0.5884 -0.5838 0.0244 0.0309 0.6368 0.6404 0.9477 0.9618 1.7159 1.7271 2.1080 2.1129 2.5659 2.5706 2.7948 2.8004 12.0612 12.0672 12.7631 12.7696 13.2900 13.2924 13.7669 13.7746 k = 0.1231 0.5414 0.3138 ( 2306 PWs) bands (ev): -17.6208 -17.6207 -16.0083 -16.0062 -15.0018 -14.9989 -14.8994 -14.8954 -6.6255 -6.6239 -4.3304 -4.3265 -3.6424 -3.6378 -3.1388 -3.1295 -0.5778 -0.5734 0.0266 0.0330 0.6257 0.6291 0.9773 0.9907 1.6978 1.7090 2.1174 2.1218 2.5637 2.5679 2.8102 2.8153 12.0604 12.0659 12.7756 12.7817 13.2806 13.2830 13.7670 13.7742 k = 0.1108 0.5374 0.3192 ( 2307 PWs) bands (ev): -17.6306 -17.6305 -15.9985 -15.9967 -14.9985 -14.9959 -14.8943 -14.8906 -6.6547 -6.6532 -4.3161 -4.3126 -3.6394 -3.6349 -3.1526 -3.1437 -0.5673 -0.5633 0.0286 0.0348 0.6138 0.6170 1.0092 1.0219 1.6766 1.6877 2.1264 2.1303 2.5612 2.5650 2.8259 2.8304 12.0600 12.0650 12.7874 12.7931 13.2718 13.2742 13.7668 13.7735 k = 0.0985 0.5334 0.3247 ( 2301 PWs) bands (ev): -17.6395 -17.6394 -15.9898 -15.9881 -14.9955 -14.9931 -14.8894 -14.8861 -6.6812 -6.6798 -4.3040 -4.3008 -3.6349 -3.6304 -3.1663 -3.1579 -0.5572 -0.5535 0.0303 0.0363 0.6017 0.6048 1.0427 1.0548 1.6527 1.6637 2.1348 2.1383 2.5584 2.5618 2.8414 2.8454 12.0600 12.0644 12.7985 12.8037 13.2637 13.2660 13.7666 13.7727 k = 0.0862 0.5294 0.3301 ( 2299 PWs) bands (ev): -17.6474 -17.6473 -15.9821 -15.9806 -14.9928 -14.9906 -14.8849 -14.8819 -6.7049 -6.7036 -4.2938 -4.2911 -3.6292 -3.6248 -3.1795 -3.1717 -0.5477 -0.5443 0.0318 0.0374 0.5901 0.5931 1.0771 1.0887 1.6267 1.6375 2.1425 2.1456 2.5557 2.5586 2.8561 2.8596 12.0602 12.0641 12.8086 12.8133 13.2564 13.2585 13.7662 13.7717 k = 0.0739 0.5254 0.3355 ( 2303 PWs) bands (ev): -17.6543 -17.6543 -15.9755 -15.9742 -14.9904 -14.9885 -14.8807 -14.8782 -6.7255 -6.7245 -4.2855 -4.2831 -3.6226 -3.6184 -3.1920 -3.1850 -0.5389 -0.5359 0.0331 0.0381 0.5793 0.5821 1.1120 1.1231 1.5991 1.6096 2.1495 2.1521 2.5531 2.5556 2.8697 2.8726 12.0607 12.0640 12.8176 12.8217 13.2499 13.2519 13.7658 13.7706 k = 0.0615 0.5215 0.3410 ( 2303 PWs) bands (ev): -17.6602 -17.6602 -15.9698 -15.9687 -14.9883 -14.9867 -14.8770 -14.8749 -6.7432 -6.7423 -4.2788 -4.2769 -3.6156 -3.6117 -3.2035 -3.1973 -0.5310 -0.5285 0.0342 0.0386 0.5698 0.5723 1.1467 1.1572 1.5706 1.5807 2.1556 2.1578 2.5507 2.5528 2.8818 2.8842 12.0612 12.0640 12.8254 12.8290 13.2444 13.2462 13.7655 13.7696 k = 0.0492 0.5175 0.3464 ( 2302 PWs) bands (ev): -17.6651 -17.6650 -15.9652 -15.9643 -14.9865 -14.9853 -14.8739 -14.8721 -6.7577 -6.7570 -4.2736 -4.2721 -3.6087 -3.6053 -3.2135 -3.2083 -0.5242 -0.5222 0.0351 0.0388 0.5617 0.5638 1.1805 1.1904 1.5420 1.5515 2.1608 2.1625 2.5487 2.5504 2.8921 2.8940 12.0618 12.0641 12.8320 12.8349 13.2400 13.2415 13.7653 13.7686 k = 0.0369 0.5135 0.3518 ( 2300 PWs) bands (ev): -17.6688 -17.6688 -15.9616 -15.9609 -14.9851 -14.9842 -14.8713 -14.8700 -6.7691 -6.7686 -4.2698 -4.2686 -3.6024 -3.5997 -3.2217 -3.2176 -0.5187 -0.5171 0.0360 0.0388 0.5553 0.5570 1.2124 1.2211 1.5147 1.5233 2.1649 2.1662 2.5471 2.5484 2.9004 2.9018 12.0625 12.0642 12.8372 12.8394 13.2365 13.2377 13.7652 13.7677 k = 0.0246 0.5095 0.3573 ( 2297 PWs) bands (ev): -17.6716 -17.6715 -15.9590 -15.9585 -14.9841 -14.9834 -14.8694 -14.8685 -6.7772 -6.7769 -4.2671 -4.2663 -3.5973 -3.5955 -3.2277 -3.2248 -0.5146 -0.5135 0.0367 0.0386 0.5508 0.5519 1.2404 1.2474 1.4909 1.4978 2.1680 2.1689 2.5460 2.5468 2.9065 2.9075 12.0630 12.0642 12.8411 12.8426 13.2341 13.2349 13.7652 13.7670 k = 0.0123 0.5055 0.3627 ( 2299 PWs) bands (ev): -17.6732 -17.6732 -15.9574 -15.9571 -14.9834 -14.9831 -14.8681 -14.8676 -6.7821 -6.7819 -4.2654 -4.2650 -3.5939 -3.5929 -3.2311 -3.2297 -0.5120 -0.5114 0.0373 0.0383 0.5481 0.5487 1.2613 1.2655 1.4743 1.4784 2.1699 2.1704 2.5454 2.5458 2.9103 2.9108 12.0635 12.0641 12.8436 12.8443 13.2328 13.2332 13.7654 13.7663 k = 0.0000 0.5015 0.3681 ( 2302 PWs) bands (ev): -17.6737 -17.6737 -15.9568 -15.9568 -14.9830 -14.9830 -14.8675 -14.8675 -6.7836 -6.7836 -4.2647 -4.2647 -3.5924 -3.5924 -3.2318 -3.2318 -0.5109 -0.5109 0.0378 0.0378 0.5474 0.5474 1.2707 1.2707 1.4695 1.4695 2.1707 2.1707 2.5453 2.5453 2.9117 2.9117 12.0638 12.0638 12.8447 12.8447 13.2324 13.2324 13.7658 13.7658 k = 0.0000 0.5015 0.3681 ( 2302 PWs) bands (ev): -17.6737 -17.6737 -15.9568 -15.9568 -14.9830 -14.9830 -14.8675 -14.8675 -6.7836 -6.7836 -4.2647 -4.2647 -3.5924 -3.5924 -3.2318 -3.2318 -0.5109 -0.5109 0.0378 0.0378 0.5474 0.5474 1.2707 1.2707 1.4695 1.4695 2.1707 2.1707 2.5453 2.5453 2.9117 2.9117 12.0638 12.0638 12.8447 12.8447 13.2324 13.2324 13.7658 13.7658 k = 0.0068 0.4942 0.3781 ( 2298 PWs) bands (ev): -17.6732 -17.6732 -15.9574 -15.9571 -14.9834 -14.9831 -14.8676 -14.8676 -6.7827 -6.7826 -4.2677 -4.2667 -3.5914 -3.5903 -3.2315 -3.2312 -0.5118 -0.5114 0.0369 0.0375 0.5471 0.5479 1.2718 1.2725 1.4698 1.4700 2.1701 2.1708 2.5451 2.5461 2.9112 2.9114 12.0647 12.0648 12.8443 12.8450 13.2305 13.2316 13.7654 13.7670 k = 0.0135 0.4869 0.3880 ( 2298 PWs) bands (ev): -17.6717 -17.6717 -15.9590 -15.9586 -14.9842 -14.9835 -14.8679 -14.8679 -6.7799 -6.7795 -4.2754 -4.2734 -3.5875 -3.5852 -3.2303 -3.2297 -0.5139 -0.5132 0.0347 0.0359 0.5470 0.5484 1.2757 1.2772 1.4709 1.4714 2.1691 2.1705 2.5453 2.5474 2.9099 2.9103 12.0675 12.0675 12.8440 12.8453 13.2259 13.2281 13.7657 13.7688 k = 0.0203 0.4796 0.3980 ( 2298 PWs) bands (ev): -17.6692 -17.6692 -15.9617 -15.9610 -14.9853 -14.9844 -14.8684 -14.8684 -6.7751 -6.7745 -4.2878 -4.2848 -3.5807 -3.5775 -3.2283 -3.2274 -0.5173 -0.5162 0.0313 0.0330 0.5470 0.5491 1.2824 1.2846 1.4729 1.4736 2.1676 2.1696 2.5461 2.5491 2.9077 2.9083 12.0720 12.0721 12.8436 12.8456 13.2187 13.2219 13.7665 13.7712 k = 0.0270 0.4723 0.4079 ( 2300 PWs) bands (ev): -17.6657 -17.6656 -15.9653 -15.9645 -14.9869 -14.9855 -14.8691 -14.8690 -6.7683 -6.7676 -4.3043 -4.3005 -3.5715 -3.5673 -3.2255 -3.2243 -0.5219 -0.5205 0.0267 0.0290 0.5473 0.5500 1.2917 1.2946 1.4757 1.4766 2.1655 2.1682 2.5474 2.5514 2.9047 2.9054 12.0783 12.0785 12.8431 12.8459 13.2093 13.2134 13.7678 13.7739 k = 0.0338 0.4650 0.4179 ( 2294 PWs) bands (ev): -17.6612 -17.6611 -15.9700 -15.9689 -14.9887 -14.9871 -14.8700 -14.8699 -6.7596 -6.7588 -4.3247 -4.3201 -3.5601 -3.5551 -3.2219 -3.2204 -0.5275 -0.5257 0.0209 0.0237 0.5478 0.5511 1.3034 1.3069 1.4793 1.4805 2.1630 2.1662 2.5493 2.5543 2.9009 2.9018 12.0864 12.0866 12.8426 12.8461 13.1979 13.2028 13.7692 13.7766 k = 0.0405 0.4577 0.4278 ( 2296 PWs) bands (ev): -17.6557 -17.6556 -15.9758 -15.9744 -14.9909 -14.9889 -14.8711 -14.8710 -6.7491 -6.7480 -4.3485 -4.3433 -3.5470 -3.5413 -3.2175 -3.2157 -0.5339 -0.5318 0.0140 0.0173 0.5486 0.5525 1.3173 1.3211 1.4839 1.4853 2.1598 2.1637 2.5519 2.5577 2.8962 2.8974 12.0961 12.0964 12.8419 12.8461 13.1848 13.1905 13.7704 13.7790 k = 0.0473 0.4504 0.4378 ( 2286 PWs) bands (ev): -17.6492 -17.6491 -15.9825 -15.9810 -14.9933 -14.9910 -14.8723 -14.8722 -6.7366 -6.7354 -4.3753 -4.3697 -3.5325 -3.5262 -3.2124 -3.2103 -0.5411 -0.5387 0.0060 0.0099 0.5497 0.5541 1.3328 1.3369 1.4893 1.4911 2.1562 2.1605 2.5552 2.5618 2.8909 2.8923 12.1076 12.1079 12.8411 12.8460 13.1706 13.1769 13.7712 13.7808 k = 0.0541 0.4431 0.4477 ( 2284 PWs) bands (ev): -17.6418 -17.6417 -15.9903 -15.9885 -14.9959 -14.9934 -14.8738 -14.8736 -6.7223 -6.7210 -4.4048 -4.3987 -3.5171 -3.5102 -3.2066 -3.2042 -0.5487 -0.5460 -0.0029 0.0015 0.5512 0.5560 1.3495 1.3538 1.4958 1.4979 2.1520 2.1567 2.5591 2.5664 2.8848 2.8864 12.1206 12.1209 12.8400 12.8457 13.1554 13.1622 13.7712 13.7818 k = 0.0608 0.4358 0.4577 ( 2290 PWs) bands (ev): -17.6335 -17.6334 -15.9990 -15.9971 -14.9987 -14.9959 -14.8755 -14.8753 -6.7063 -6.7048 -4.4367 -4.4302 -3.5009 -3.4936 -3.2003 -3.1976 -0.5567 -0.5537 -0.0127 -0.0078 0.5532 0.5583 1.3669 1.3711 1.5035 1.5062 2.1473 2.1524 2.5637 2.5717 2.8780 2.8798 12.1351 12.1355 12.8385 12.8450 13.1397 13.1469 13.7702 13.7816 k = 0.0676 0.4285 0.4676 ( 2292 PWs) bands (ev): -17.6243 -17.6241 -16.0088 -16.0067 -15.0016 -14.9985 -14.8774 -14.8771 -6.6884 -6.6868 -4.4706 -4.4638 -3.4844 -3.4767 -3.1934 -3.1904 -0.5648 -0.5615 -0.0233 -0.0180 0.5556 0.5611 1.3842 1.3880 1.5127 1.5160 2.1422 2.1476 2.5690 2.5776 2.8705 2.8726 12.1511 12.1515 12.8367 12.8440 13.1238 13.1314 13.7680 13.7801 k = 0.0743 0.4212 0.4776 ( 2296 PWs) bands (ev): -17.6142 -17.6140 -16.0196 -16.0173 -15.0045 -15.0012 -14.8794 -14.8791 -6.6689 -6.6671 -4.5063 -4.4993 -3.4677 -3.4597 -3.1861 -3.1828 -0.5727 -0.5692 -0.0346 -0.0289 0.5585 0.5643 1.4005 1.4037 1.5237 1.5280 2.1369 2.1426 2.5749 2.5839 2.8624 2.8648 12.1684 12.1688 12.8344 12.8425 13.1081 13.1160 13.7642 13.7770 k = 0.0811 0.4139 0.4875 ( 2298 PWs) bands (ev): -17.6032 -17.6031 -16.0313 -16.0289 -15.0075 -15.0039 -14.8817 -14.8813 -6.6477 -6.6458 -4.5435 -4.5364 -3.4510 -3.4428 -3.1784 -3.1748 -0.5804 -0.5766 -0.0466 -0.0405 0.5620 0.5680 1.4149 1.4173 1.5370 1.5424 2.1317 2.1375 2.5814 2.5908 2.8538 2.8565 12.1870 12.1874 12.8316 12.8404 13.0928 13.1009 13.7590 13.7723 k = 0.0878 0.4066 0.4975 ( 2296 PWs) bands (ev): -17.5915 -17.5913 -16.0440 -16.0415 -15.0104 -15.0066 -14.8841 -14.8836 -6.6249 -6.6228 -4.5822 -4.5748 -3.4345 -3.4261 -3.1705 -3.1666 -0.5876 -0.5836 -0.0590 -0.0526 0.5661 0.5723 1.4267 1.4283 1.5526 1.5592 2.1267 2.1326 2.5882 2.5979 2.8447 2.8476 12.2066 12.2071 12.8281 12.8378 13.0783 13.0866 13.7520 13.7658 k = 0.0946 0.3993 0.5074 ( 2292 PWs) bands (ev): -17.5790 -17.5788 -16.0576 -16.0549 -15.0132 -15.0093 -14.8867 -14.8862 -6.6006 -6.5983 -4.6220 -4.6146 -3.4183 -3.4097 -3.1623 -3.1581 -0.5941 -0.5898 -0.0719 -0.0652 0.5709 0.5771 1.4353 1.4362 1.5706 1.5783 2.1224 2.1284 2.5953 2.6053 2.8351 2.8384 12.2273 12.2277 12.8240 12.8345 13.0648 13.0733 13.7433 13.7575 k = 0.1014 0.3920 0.5174 ( 2296 PWs) bands (ev): -17.5658 -17.5656 -16.0721 -16.0693 -15.0159 -15.0117 -14.8894 -14.8889 -6.5747 -6.5724 -4.6629 -4.6554 -3.4025 -3.3939 -3.1540 -3.1496 -0.5998 -0.5953 -0.0853 -0.0782 0.5763 0.5827 1.4405 1.4413 1.5903 1.5990 2.1189 2.1250 2.6026 2.6127 2.8252 2.8288 12.2487 12.2493 12.8192 12.8304 13.0525 13.0611 13.7329 13.7474 k = 0.1081 0.3847 0.5273 ( 2298 PWs) bands (ev): -17.5519 -17.5517 -16.0874 -16.0845 -15.0184 -15.0141 -14.8923 -14.8917 -6.5474 -6.5450 -4.7047 -4.6971 -3.3872 -3.3785 -3.1457 -3.1411 -0.6046 -0.5998 -0.0988 -0.0915 0.5824 0.5889 1.4423 1.4434 1.6112 1.6207 2.1169 2.1231 2.6099 2.6200 2.8150 2.8190 12.2709 12.2715 12.8137 12.8256 13.0415 13.0503 13.7208 13.7355 k = 0.1149 0.3774 0.5373 ( 2300 PWs) bands (ev): -17.5374 -17.5372 -16.1035 -16.1005 -15.0207 -15.0162 -14.8954 -14.8947 -6.5188 -6.5162 -4.7474 -4.7397 -3.3725 -3.3637 -3.1375 -3.1326 -0.6082 -0.6032 -0.1127 -0.1051 0.5894 0.5958 1.4411 1.4425 1.6327 1.6427 2.1165 2.1229 2.6169 2.6270 2.8046 2.8091 12.2936 12.2942 12.8077 12.8202 13.0319 13.0409 13.7071 13.7219 k = 0.1216 0.3701 0.5472 ( 2298 PWs) bands (ev): -17.5224 -17.5222 -16.1203 -16.1172 -15.0227 -15.0181 -14.8986 -14.8979 -6.4888 -6.4861 -4.7907 -4.7830 -3.3584 -3.3496 -3.1293 -3.1243 -0.6107 -0.6054 -0.1266 -0.1188 0.5971 0.6036 1.4370 1.4386 1.6541 1.6644 2.1182 2.1249 2.6236 2.6337 2.7942 2.7991 12.3166 12.3174 12.8012 12.8142 13.0238 13.0329 13.6919 13.7068 k = 0.1284 0.3627 0.5572 ( 2298 PWs) bands (ev): -17.5069 -17.5067 -16.1376 -16.1344 -15.0245 -15.0197 -14.9019 -14.9011 -6.4577 -6.4549 -4.8346 -4.8269 -3.3449 -3.3361 -3.1215 -3.1162 -0.6120 -0.6064 -0.1407 -0.1327 0.6057 0.6122 1.4299 1.4317 1.6749 1.6855 2.1223 2.1293 2.6297 2.6396 2.7838 2.7893 12.3399 12.3407 12.7943 12.8077 13.0172 13.0264 13.6752 13.6903 k = 0.1351 0.3554 0.5671 ( 2304 PWs) bands (ev): -17.4910 -17.4908 -16.1555 -16.1522 -15.0259 -15.0210 -14.9054 -14.9045 -6.4253 -6.4224 -4.8791 -4.8713 -3.3320 -3.3233 -3.1139 -3.1085 -0.6120 -0.6061 -0.1548 -0.1466 0.6152 0.6217 1.4198 1.4217 1.6949 1.7055 2.1290 2.1363 2.6350 2.6448 2.7736 2.7796 12.3631 12.3640 12.7873 12.8010 13.0121 13.0214 13.6573 13.6724 k = 0.1419 0.3481 0.5771 ( 2306 PWs) bands (ev): -17.4748 -17.4746 -16.1738 -16.1705 -15.0271 -15.0221 -14.9089 -14.9080 -6.3919 -6.3889 -4.9239 -4.9161 -3.3199 -3.3112 -3.1067 -3.1011 -0.6107 -0.6045 -0.1690 -0.1606 0.6257 0.6322 1.4068 1.4088 1.7138 1.7244 2.1382 2.1459 2.6394 2.6489 2.7638 2.7704 12.3861 12.3871 12.7801 12.7940 13.0084 13.0178 13.6384 13.6533 k = 0.1486 0.3408 0.5870 ( 2306 PWs) bands (ev): -17.4584 -17.4582 -16.1923 -16.1890 -15.0279 -15.0228 -14.9125 -14.9115 -6.3574 -6.3544 -4.9691 -4.9613 -3.3084 -3.2999 -3.0999 -3.0942 -0.6080 -0.6015 -0.1831 -0.1746 0.6372 0.6437 1.3909 1.3930 1.7315 1.7419 2.1500 2.1580 2.6427 2.6519 2.7545 2.7617 12.4087 12.4099 12.7730 12.7870 13.0061 13.0156 13.6184 13.6333 k = 0.1554 0.3335 0.5970 ( 2306 PWs) bands (ev): -17.4419 -17.4417 -16.2110 -16.2076 -15.0284 -15.0233 -14.9162 -14.9151 -6.3221 -6.3190 -5.0145 -5.0067 -3.2976 -3.2892 -3.0935 -3.0878 -0.6041 -0.5972 -0.1972 -0.1886 0.6498 0.6562 1.3723 1.3745 1.7480 1.7581 2.1639 2.1724 2.6449 2.6536 2.7459 2.7537 12.4307 12.4321 12.7661 12.7801 13.0053 13.0149 13.5978 13.6124 k = 0.1622 0.3262 0.6069 ( 2312 PWs) bands (ev): -17.4254 -17.4253 -16.2298 -16.2263 -15.0287 -15.0234 -14.9199 -14.9188 -6.2859 -6.2827 -5.0600 -5.0522 -3.2875 -3.2793 -3.0877 -3.0819 -0.5990 -0.5917 -0.2112 -0.2025 0.6635 0.6698 1.3511 1.3534 1.7633 1.7730 2.1797 2.1885 2.6457 2.6539 2.7380 2.7463 12.4520 12.4536 12.7592 12.7732 13.0058 13.0156 13.5765 13.5910 k = 0.1689 0.3189 0.6169 ( 2306 PWs) bands (ev): -17.4091 -17.4089 -16.2483 -16.2448 -15.0286 -15.0233 -14.9236 -14.9225 -6.2489 -6.2457 -5.1055 -5.0977 -3.2781 -3.2700 -3.0823 -3.0766 -0.5927 -0.5850 -0.2250 -0.2163 0.6783 0.6847 1.3277 1.3301 1.7775 1.7868 2.1970 2.2061 2.6454 2.6530 2.7310 2.7396 12.4725 12.4743 12.7525 12.7664 13.0079 13.0177 13.5549 13.5690 k = 0.1757 0.3116 0.6268 ( 2312 PWs) bands (ev): -17.3930 -17.3929 -16.2665 -16.2630 -15.0282 -15.0229 -14.9274 -14.9262 -6.2114 -6.2082 -5.1510 -5.1431 -3.2694 -3.2615 -3.0775 -3.0718 -0.5854 -0.5772 -0.2388 -0.2299 0.6943 0.7007 1.3022 1.3047 1.7906 1.7994 2.2152 2.2245 2.6441 2.6510 2.7247 2.7334 12.4919 12.4939 12.7458 12.7595 13.0114 13.0214 13.5330 13.5468 k = 0.1824 0.3043 0.6368 ( 2314 PWs) bands (ev): -17.3775 -17.3774 -16.2842 -16.2806 -15.0276 -15.0223 -14.9310 -14.9299 -6.1734 -6.1702 -5.1962 -5.1883 -3.2613 -3.2537 -3.0733 -3.0675 -0.5772 -0.5685 -0.2523 -0.2434 0.7115 0.7179 1.2750 1.2775 1.8028 1.8110 2.2338 2.2432 2.6422 2.6483 2.7189 2.7276 12.5104 12.5126 12.7390 12.7526 13.0163 13.0265 13.5112 13.5245 k = 0.1892 0.2970 0.6467 ( 2316 PWs) bands (ev): -17.3625 -17.3625 -16.3011 -16.2976 -15.0268 -15.0214 -14.9346 -14.9334 -6.1350 -6.1318 -5.2411 -5.2331 -3.2540 -3.2467 -3.0695 -3.0638 -0.5682 -0.5589 -0.2657 -0.2567 0.7300 0.7364 1.2464 1.2489 1.8139 1.8217 2.2524 2.2618 2.6399 2.6453 2.7134 2.7219 12.5278 12.5302 12.7321 12.7455 13.0228 13.0331 13.4896 13.5024 k = 0.1959 0.2897 0.6567 ( 2318 PWs) bands (ev): -17.3484 -17.3484 -16.3172 -16.3136 -15.0258 -15.0204 -14.9381 -14.9369 -6.0966 -6.0934 -5.2853 -5.2773 -3.2474 -3.2403 -3.0663 -3.0607 -0.5587 -0.5488 -0.2787 -0.2697 0.7497 0.7562 1.2167 1.2192 1.8241 1.8313 2.2705 2.2798 2.6378 2.6424 2.7079 2.7161 12.5442 12.5468 12.7249 12.7381 13.0305 13.0411 13.4684 13.4806 k = 0.2027 0.2824 0.6666 ( 2316 PWs) bands (ev): -17.3353 -17.3353 -16.3320 -16.3284 -15.0247 -15.0193 -14.9413 -14.9402 -6.0584 -6.0553 -5.3287 -5.3205 -3.2415 -3.2347 -3.0635 -3.0580 -0.5488 -0.5382 -0.2915 -0.2822 0.7706 0.7772 1.1862 1.1887 1.8333 1.8400 2.2875 2.2966 2.6362 2.6401 2.7023 2.7100 12.5597 12.5624 12.7173 12.7304 13.0394 13.0501 13.4480 13.4594 k = 0.2095 0.2751 0.6766 ( 2312 PWs) bands (ev): -17.3234 -17.3234 -16.3455 -16.3419 -15.0235 -15.0181 -14.9444 -14.9434 -6.0207 -6.0177 -5.3708 -5.3625 -3.2364 -3.2298 -3.0612 -3.0558 -0.5388 -0.5275 -0.3037 -0.2943 0.7926 0.7995 1.1551 1.1576 1.8415 1.8477 2.3032 2.3120 2.6354 2.6387 2.6963 2.7036 12.5743 12.5772 12.7093 12.7223 13.0491 13.0599 13.4287 13.4392 k = 0.2162 0.2678 0.6865 ( 2310 PWs) bands (ev): -17.3129 -17.3129 -16.3573 -16.3537 -15.0223 -15.0168 -14.9471 -14.9462 -5.9842 -5.9814 -5.4110 -5.4025 -3.2320 -3.2256 -3.0593 -3.0540 -0.5291 -0.5170 -0.3152 -0.3056 0.8157 0.8229 1.1240 1.1265 1.8486 1.8543 2.3171 2.3254 2.6357 2.6385 2.6901 2.6967 12.5882 12.5910 12.7007 12.7138 13.0591 13.0700 13.4108 13.4202 k = 0.2230 0.2605 0.6965 ( 2308 PWs) bands (ev): -17.3040 -17.3040 -16.3674 -16.3637 -15.0212 -15.0157 -14.9495 -14.9487 -5.9498 -5.9472 -5.4485 -5.4397 -3.2283 -3.2222 -3.0577 -3.0526 -0.5201 -0.5070 -0.3258 -0.3158 0.8396 0.8472 1.0930 1.0956 1.8545 1.8598 2.3289 2.3366 2.6371 2.6397 2.6836 2.6894 12.6014 12.6041 12.6916 12.7049 13.0689 13.0799 13.3951 13.4031 k = 0.2297 0.2532 0.7064 ( 2310 PWs) bands (ev): -17.2969 -17.2969 -16.3754 -16.3718 -15.0202 -15.0146 -14.9514 -14.9508 -5.9188 -5.9165 -5.4819 -5.4728 -3.2255 -3.2196 -3.0566 -3.0516 -0.5121 -0.4982 -0.3350 -0.3246 0.8638 0.8723 1.0627 1.0657 1.8591 1.8642 2.3384 2.3454 2.6397 2.6425 2.6769 2.6819 12.6141 12.6162 12.6821 12.6959 13.0779 13.0887 13.3819 13.3884 k = 0.2365 0.2459 0.7164 ( 2310 PWs) bands (ev): -17.2917 -17.2916 -16.3813 -16.3776 -15.0195 -15.0138 -14.9528 -14.9524 -5.8932 -5.8914 -5.5091 -5.4997 -3.2234 -3.2177 -3.0558 -3.0509 -0.5058 -0.4910 -0.3423 -0.3314 0.8872 0.8973 1.0339 1.0380 1.8625 1.8673 2.3453 2.3517 2.6432 2.6467 2.6703 2.6743 12.6262 12.6270 12.6720 12.6873 13.0851 13.0959 13.3722 13.3768 k = 0.2432 0.2386 0.7263 ( 2304 PWs) bands (ev): -17.2885 -17.2885 -16.3849 -16.3812 -15.0190 -15.0133 -14.9537 -14.9534 -5.8759 -5.8744 -5.5274 -5.5177 -3.2222 -3.2165 -3.0553 -3.0504 -0.5018 -0.4863 -0.3471 -0.3358 0.9070 0.9199 1.0091 1.0156 1.8646 1.8692 2.3495 2.3555 2.6470 2.6520 2.6644 2.6671 12.6354 12.6377 12.6619 12.6801 13.0898 13.1006 13.3665 13.3690 k = 0.2500 0.2313 0.7363 ( 2304 PWs) bands (ev): -17.2875 -17.2874 -16.3861 -16.3824 -15.0188 -15.0132 -14.9539 -14.9538 -5.8697 -5.8683 -5.5339 -5.5241 -3.2218 -3.2161 -3.0552 -3.0503 -0.5003 -0.4847 -0.3488 -0.3373 0.9158 0.9310 0.9971 1.0059 1.8653 1.8699 2.3510 2.3567 2.6492 2.6566 2.6603 2.6631 12.6389 12.6456 12.6544 12.6770 13.0915 13.1022 13.3650 13.3658 k = 0.2500 0.2313 0.7363 ( 2304 PWs) bands (ev): -17.2875 -17.2874 -16.3861 -16.3824 -15.0188 -15.0132 -14.9539 -14.9538 -5.8697 -5.8683 -5.5339 -5.5241 -3.2218 -3.2161 -3.0552 -3.0503 -0.5003 -0.4847 -0.3488 -0.3373 0.9158 0.9310 0.9971 1.0059 1.8653 1.8699 2.3510 2.3567 2.6492 2.6566 2.6603 2.6631 12.6389 12.6456 12.6544 12.6770 13.0915 13.1022 13.3650 13.3658 k = 0.2576 0.2383 0.7267 ( 2304 PWs) bands (ev): -17.2879 -17.2879 -16.3855 -16.3819 -15.0188 -15.0132 -14.9538 -14.9536 -5.8727 -5.8712 -5.5311 -5.5213 -3.2215 -3.2158 -3.0549 -3.0500 -0.5010 -0.4855 -0.3480 -0.3367 0.9106 0.9244 1.0025 1.0099 1.8655 1.8701 2.3504 2.3562 2.6481 2.6537 2.6632 2.6660 12.6372 12.6411 12.6590 12.6789 13.0908 13.1014 13.3663 13.3680 k = 0.2652 0.2453 0.7172 ( 2312 PWs) bands (ev): -17.2892 -17.2892 -16.3841 -16.3804 -15.0191 -15.0135 -14.9534 -14.9531 -5.8809 -5.8793 -5.5233 -5.5137 -3.2205 -3.2149 -3.0540 -3.0491 -0.5034 -0.4883 -0.3455 -0.3344 0.8963 0.9078 1.0151 1.0203 1.8661 1.8707 2.3488 2.3548 2.6450 2.6493 2.6690 2.6729 12.6326 12.6341 12.6666 12.6839 13.0887 13.0994 13.3707 13.3737 k = 0.2727 0.2523 0.7076 ( 2310 PWs) bands (ev): -17.2912 -17.2912 -16.3819 -16.3782 -15.0194 -15.0138 -14.9528 -14.9524 -5.8930 -5.8912 -5.5117 -5.5023 -3.2189 -3.2132 -3.0526 -3.0478 -0.5078 -0.4934 -0.3406 -0.3301 0.8761 0.8857 1.0301 1.0339 1.8672 1.8719 2.3466 2.3527 2.6410 2.6445 2.6770 2.6818 12.6261 12.6272 12.6750 12.6908 13.0858 13.0965 13.3780 13.3821 k = 0.2803 0.2593 0.6981 ( 2308 PWs) bands (ev): -17.2938 -17.2937 -16.3791 -16.3755 -15.0198 -15.0144 -14.9519 -14.9515 -5.9077 -5.9058 -5.4973 -5.4883 -3.2165 -3.2108 -3.0508 -3.0459 -0.5142 -0.5009 -0.3333 -0.3236 0.8520 0.8604 1.0452 1.0483 1.8688 1.8736 2.3438 2.3501 2.6365 2.6395 2.6865 2.6919 12.6187 12.6203 12.6840 12.6992 13.0823 13.0931 13.3876 13.3925 k = 0.2879 0.2663 0.6885 ( 2310 PWs) bands (ev): -17.2967 -17.2967 -16.3758 -16.3722 -15.0204 -15.0150 -14.9509 -14.9505 -5.9239 -5.9218 -5.4813 -5.4726 -3.2135 -3.2077 -3.0485 -3.0437 -0.5226 -0.5103 -0.3239 -0.3149 0.8252 0.8328 1.0592 1.0621 1.8711 1.8759 2.3409 2.3473 2.6317 2.6345 2.6971 2.7028 12.6112 12.6132 12.6936 12.7085 13.0786 13.0894 13.3989 13.4046 k = 0.2955 0.2733 0.6790 ( 2318 PWs) bands (ev): -17.2999 -17.2999 -16.3722 -16.3687 -15.0211 -15.0157 -14.9498 -14.9494 -5.9406 -5.9384 -5.4645 -5.4560 -3.2098 -3.2040 -3.0460 -3.0412 -0.5326 -0.5214 -0.3126 -0.3044 0.7966 0.8036 1.0715 1.0745 1.8739 1.8788 2.3381 2.3445 2.6267 2.6294 2.7081 2.7142 12.6037 12.6059 12.7040 12.7187 13.0750 13.0858 13.4116 13.4178 k = 0.3030 0.2803 0.6694 ( 2316 PWs) bands (ev): -17.3033 -17.3032 -16.3685 -16.3651 -15.0218 -15.0165 -14.9486 -14.9483 -5.9571 -5.9548 -5.4475 -5.4392 -3.2055 -3.1996 -3.0431 -3.0384 -0.5437 -0.5335 -0.2999 -0.2924 0.7666 0.7731 1.0817 1.0849 1.8775 1.8824 2.3356 2.3420 2.6217 2.6243 2.7195 2.7257 12.5961 12.5985 12.7151 12.7298 13.0717 13.0825 13.4251 13.4318 k = 0.3106 0.2874 0.6599 ( 2309 PWs) bands (ev): -17.3066 -17.3066 -16.3648 -16.3614 -15.0226 -15.0174 -14.9475 -14.9472 -5.9727 -5.9704 -5.4306 -5.4226 -3.2006 -3.1946 -3.0400 -3.0354 -0.5557 -0.5463 -0.2862 -0.2793 0.7357 0.7418 1.0896 1.0930 1.8816 1.8864 2.3335 2.3399 2.6166 2.6192 2.7307 2.7371 12.5886 12.5912 12.7268 12.7415 13.0686 13.0795 13.4393 13.4463 k = 0.3182 0.2944 0.6503 ( 2312 PWs) bands (ev): -17.3099 -17.3098 -16.3611 -16.3577 -15.0234 -15.0183 -14.9464 -14.9462 -5.9871 -5.9847 -5.4144 -5.4065 -3.1952 -3.1892 -3.0368 -3.0322 -0.5681 -0.5595 -0.2718 -0.2655 0.7043 0.7101 1.0949 1.0986 1.8863 1.8911 2.3320 2.3383 2.6115 2.6142 2.7415 2.7480 12.5813 12.5839 12.7391 12.7538 13.0659 13.0769 13.4538 13.4611 k = 0.3258 0.3014 0.6408 ( 2308 PWs) bands (ev): -17.3130 -17.3129 -16.3576 -16.3543 -15.0242 -15.0191 -14.9455 -14.9454 -5.9998 -5.9975 -5.3989 -5.3913 -3.1894 -3.1832 -3.0335 -3.0290 -0.5805 -0.5726 -0.2572 -0.2514 0.6728 0.6783 1.0975 1.1014 1.8915 1.8962 2.3311 2.3373 2.6064 2.6094 2.7517 2.7583 12.5741 12.5767 12.7518 12.7665 13.0635 13.0746 13.4685 13.4761 k = 0.3333 0.3084 0.6312 ( 2307 PWs) bands (ev): -17.3158 -17.3157 -16.3544 -16.3511 -15.0249 -15.0200 -14.9449 -14.9447 -6.0107 -6.0083 -5.3844 -5.3770 -3.1832 -3.1770 -3.0302 -3.0258 -0.5927 -0.5853 -0.2428 -0.2374 0.6417 0.6469 1.0972 1.1015 1.8973 1.9017 2.3309 2.3369 2.6014 2.6047 2.7611 2.7678 12.5671 12.5697 12.7647 12.7795 13.0611 13.0725 13.4833 13.4911 k = 0.3409 0.3154 0.6217 ( 2309 PWs) bands (ev): -17.3183 -17.3182 -16.3514 -16.3483 -15.0257 -15.0209 -14.9446 -14.9443 -6.0193 -6.0170 -5.3712 -5.3639 -3.1768 -3.1704 -3.0269 -3.0226 -0.6044 -0.5975 -0.2289 -0.2240 0.6114 0.6163 1.0943 1.0988 1.9033 1.9076 2.3313 2.3371 2.5966 2.6003 2.7694 2.7762 12.5604 12.5630 12.7778 12.7925 13.0588 13.0705 13.4982 13.5062 k = 0.3485 0.3224 0.6121 ( 2303 PWs) bands (ev): -17.3204 -17.3203 -16.3489 -16.3458 -15.0264 -15.0217 -14.9446 -14.9440 -6.0256 -6.0234 -5.3591 -5.3521 -3.1701 -3.1636 -3.0238 -3.0195 -0.6154 -0.6089 -0.2159 -0.2115 0.5825 0.5870 1.0886 1.0934 1.9096 1.9136 2.3322 2.3379 2.5920 2.5961 2.7765 2.7834 12.5540 12.5565 12.7909 12.8055 13.0563 13.0682 13.5131 13.5212 k = 0.3561 0.3294 0.6026 ( 2305 PWs) bands (ev): -17.3221 -17.3220 -16.3469 -16.3438 -15.0271 -15.0225 -14.9448 -14.9441 -6.0294 -6.0272 -5.3485 -5.3416 -3.1634 -3.1568 -3.0209 -3.0166 -0.6255 -0.6193 -0.2044 -0.2006 0.5553 0.5596 1.0803 1.0854 1.9159 1.9198 2.3337 2.3392 2.5876 2.5921 2.7824 2.7894 12.5479 12.5504 12.8037 12.8182 13.0535 13.0656 13.5280 13.5363 k = 0.3636 0.3364 0.5931 ( 2305 PWs) bands (ev): -17.3233 -17.3232 -16.3452 -16.3422 -15.0277 -15.0232 -14.9455 -14.9445 -6.0306 -6.0284 -5.3392 -5.3325 -3.1567 -3.1499 -3.0183 -3.0140 -0.6344 -0.6284 -0.1948 -0.1915 0.5306 0.5346 1.0696 1.0749 1.9222 1.9258 2.3356 2.3409 2.5835 2.5885 2.7869 2.7940 12.5421 12.5447 12.8161 12.8303 13.0501 13.0625 13.5430 13.5514 k = 0.3712 0.3434 0.5835 ( 2302 PWs) bands (ev): -17.3240 -17.3239 -16.3441 -16.3411 -15.0283 -15.0239 -14.9465 -14.9453 -6.0290 -6.0269 -5.3315 -5.3249 -3.1501 -3.1431 -3.0161 -3.0116 -0.6421 -0.6363 -0.1875 -0.1849 0.5089 0.5126 1.0566 1.0622 1.9283 1.9317 2.3376 2.3428 2.5798 2.5852 2.7900 2.7973 12.5367 12.5393 12.8279 12.8418 13.0462 13.0587 13.5580 13.5664 k = 0.3788 0.3504 0.5740 ( 2303 PWs) bands (ev): -17.3242 -17.3242 -16.3435 -16.3406 -15.0288 -15.0244 -14.9478 -14.9464 -6.0247 -6.0227 -5.3253 -5.3188 -3.1437 -3.1364 -3.0142 -3.0097 -0.6483 -0.6426 -0.1832 -0.1811 0.4907 0.4943 1.0415 1.0473 1.9339 1.9372 2.3398 2.3448 2.5764 2.5823 2.7918 2.7992 12.5316 12.5343 12.8388 12.8522 13.0418 13.0543 13.5730 13.5815 k = 0.3864 0.3574 0.5644 ( 2301 PWs) bands (ev): -17.3239 -17.3239 -16.3435 -16.3405 -15.0292 -15.0250 -14.9496 -14.9478 -6.0175 -6.0156 -5.3206 -5.3142 -3.1375 -3.1300 -3.0128 -3.0082 -0.6530 -0.6473 -0.1823 -0.1806 0.4764 0.4800 1.0246 1.0306 1.9390 1.9422 2.3417 2.3467 2.5734 2.5799 2.7921 2.7997 12.5267 12.5296 12.8485 12.8613 13.0371 13.0494 13.5878 13.5963 k = 0.3939 0.3645 0.5549 ( 2306 PWs) bands (ev): -17.3231 -17.3231 -16.3439 -16.3410 -15.0296 -15.0254 -14.9516 -14.9496 -6.0076 -6.0057 -5.3174 -5.3111 -3.1317 -3.1240 -3.0120 -3.0071 -0.6560 -0.6504 -0.1851 -0.1833 0.4664 0.4701 1.0060 1.0122 1.9434 1.9466 2.3433 2.3483 2.5709 2.5778 2.7912 2.7990 12.5221 12.5251 12.8566 12.8685 13.0324 13.0444 13.6024 13.6109 k = 0.4015 0.3715 0.5453 ( 2306 PWs) bands (ev): -17.3219 -17.3218 -16.3449 -16.3419 -15.0298 -15.0258 -14.9540 -14.9518 -5.9948 -5.9929 -5.3158 -5.3096 -3.1263 -3.1184 -3.0116 -3.0066 -0.6574 -0.6517 -0.1917 -0.1895 0.4608 0.4649 0.9859 0.9922 1.9470 1.9503 2.3441 2.3492 2.5689 2.5763 2.7892 2.7972 12.5177 12.5209 12.8627 12.8733 13.0285 13.0397 13.6165 13.6250 k = 0.4091 0.3785 0.5358 ( 2308 PWs) bands (ev): -17.3202 -17.3201 -16.3463 -16.3433 -15.0300 -15.0261 -14.9568 -14.9542 -5.9793 -5.9774 -5.3157 -5.3096 -3.1214 -3.1132 -3.0119 -3.0066 -0.6570 -0.6511 -0.2019 -0.1990 0.4598 0.4642 0.9646 0.9710 1.9498 1.9531 2.3439 2.3492 2.5676 2.5754 2.7861 2.7944 12.5134 12.5169 12.8659 12.8752 13.0260 13.0362 13.6299 13.6383 k = 0.4167 0.3855 0.5262 ( 2310 PWs) bands (ev): -17.3180 -17.3180 -16.3481 -16.3451 -15.0301 -15.0264 -14.9597 -14.9570 -5.9611 -5.9593 -5.3171 -5.3110 -3.1171 -3.1086 -3.0128 -3.0072 -0.6548 -0.6488 -0.2153 -0.2117 0.4630 0.4678 0.9422 0.9487 1.9516 1.9551 2.3422 2.3479 2.5669 2.5752 2.7823 2.7908 12.5091 12.5129 12.8658 12.8737 13.0256 13.0346 13.6423 13.6507 k = 0.4242 0.3925 0.5167 ( 2306 PWs) bands (ev): -17.3156 -17.3155 -16.3503 -16.3473 -15.0302 -15.0266 -14.9630 -14.9600 -5.9404 -5.9385 -5.3199 -5.3138 -3.1134 -3.1046 -3.0143 -3.0084 -0.6509 -0.6446 -0.2314 -0.2269 0.4702 0.4754 0.9189 0.9255 1.9524 1.9560 2.3387 2.3449 2.5670 2.5757 2.7780 2.7867 12.5049 12.5090 12.8618 12.8688 13.0276 13.0356 13.6534 13.6617 k = 0.4318 0.3995 0.5071 ( 2304 PWs) bands (ev): -17.3128 -17.3128 -16.3528 -16.3498 -15.0302 -15.0267 -14.9664 -14.9631 -5.9173 -5.9154 -5.3240 -5.3178 -3.1105 -3.1014 -3.0164 -3.0102 -0.6454 -0.6387 -0.2495 -0.2442 0.4808 0.4864 0.8948 0.9015 1.9522 1.9560 2.3330 2.3396 2.5681 2.5771 2.7733 2.7823 12.5006 12.5050 12.8540 12.8609 13.0321 13.0395 13.6629 13.6712 k = 0.4394 0.4065 0.4976 ( 2300 PWs) bands (ev): -17.3099 -17.3098 -16.3556 -16.3525 -15.0301 -15.0269 -14.9699 -14.9664 -5.8921 -5.8902 -5.3293 -5.3231 -3.1083 -3.0989 -3.0192 -3.0126 -0.6383 -0.6312 -0.2689 -0.2629 0.4945 0.5004 0.8702 0.8769 1.9509 1.9549 2.3248 2.3318 2.5702 2.5795 2.7687 2.7779 12.4962 12.5009 12.8431 12.8503 13.0387 13.0459 13.6706 13.6788 k = 0.4470 0.4135 0.4880 ( 2300 PWs) bands (ev): -17.3068 -17.3068 -16.3584 -16.3553 -15.0300 -15.0270 -14.9736 -14.9698 -5.8650 -5.8631 -5.3356 -5.3292 -3.1068 -3.0971 -3.0225 -3.0156 -0.6299 -0.6222 -0.2890 -0.2822 0.5106 0.5168 0.8451 0.8518 1.9485 1.9526 2.3138 2.3211 2.5734 2.5829 2.7642 2.7736 12.4917 12.4966 12.8299 12.8377 13.0472 13.0544 13.6762 13.6844 k = 0.4545 0.4205 0.4785 ( 2300 PWs) bands (ev): -17.3038 -17.3037 -16.3613 -16.3581 -15.0299 -15.0271 -14.9772 -14.9733 -5.8364 -5.8346 -5.3425 -5.3360 -3.1063 -3.0963 -3.0264 -3.0192 -0.6204 -0.6120 -0.3090 -0.3013 0.5288 0.5352 0.8197 0.8264 1.9449 1.9492 2.2998 2.3073 2.5777 2.5874 2.7601 2.7697 12.4869 12.4921 12.8153 12.8238 13.0570 13.0643 13.6797 13.6879 k = 0.4621 0.4275 0.4689 ( 2301 PWs) bands (ev): -17.3008 -17.3008 -16.3641 -16.3609 -15.0298 -15.0273 -14.9808 -14.9767 -5.8070 -5.8051 -5.3497 -5.3429 -3.1066 -3.0963 -3.0309 -3.0233 -0.6102 -0.6010 -0.3282 -0.3195 0.5487 0.5553 0.7941 0.8008 1.9402 1.9446 2.2827 2.2903 2.5831 2.5928 2.7565 2.7664 12.4820 12.4874 12.8000 12.8090 13.0679 13.0753 13.6808 13.6889 k = 0.4697 0.4345 0.4594 ( 2302 PWs) bands (ev): -17.2981 -17.2981 -16.3666 -16.3633 -15.0297 -15.0276 -14.9842 -14.9800 -5.7774 -5.7756 -5.3564 -5.3494 -3.1078 -3.0973 -3.0358 -3.0280 -0.5998 -0.5896 -0.3455 -0.3358 0.5698 0.5765 0.7685 0.7751 1.9342 1.9387 2.2627 2.2704 2.5895 2.5991 2.7536 2.7636 12.4769 12.4825 12.7846 12.7939 13.0794 13.0870 13.6795 13.6877 k = 0.4773 0.4415 0.4498 ( 2300 PWs) bands (ev): -17.2958 -17.2958 -16.3687 -16.3654 -15.0297 -15.0279 -14.9874 -14.9831 -5.7487 -5.7470 -5.3618 -5.3546 -3.1099 -3.0992 -3.0413 -3.0332 -0.5900 -0.5787 -0.3600 -0.3491 0.5917 0.5987 0.7431 0.7496 1.9268 1.9313 2.2400 2.2476 2.5967 2.6063 2.7514 2.7616 12.4716 12.4773 12.7694 12.7790 13.0914 13.0989 13.6759 13.6840 k = 0.4848 0.4486 0.4403 ( 2296 PWs) bands (ev): -17.2941 -17.2940 -16.3702 -16.3669 -15.0297 -15.0284 -14.9904 -14.9859 -5.7224 -5.7208 -5.3646 -5.3571 -3.1129 -3.1020 -3.0472 -3.0390 -0.5817 -0.5693 -0.3704 -0.3585 0.6140 0.6213 0.7181 0.7244 1.9178 1.9224 2.2150 2.2225 2.6046 2.6141 2.7500 2.7603 12.4663 12.4721 12.7548 12.7646 13.1035 13.1110 13.6699 13.6781 k = 0.4924 0.4556 0.4307 ( 2292 PWs) bands (ev): -17.2930 -17.2929 -16.3710 -16.3676 -15.0299 -15.0291 -14.9929 -14.9884 -5.7004 -5.6987 -5.3630 -5.3552 -3.1168 -3.1059 -3.0535 -3.0452 -0.5756 -0.5625 -0.3754 -0.3626 0.6355 0.6435 0.6944 0.7005 1.9069 1.9115 2.1882 2.1955 2.6132 2.6225 2.7493 2.7596 12.4610 12.4668 12.7409 12.7508 13.1154 13.1228 13.6616 13.6699 k = 0.5000 0.4626 0.4212 ( 2294 PWs) bands (ev): -17.2929 -17.2928 -16.3708 -16.3673 -15.0303 -15.0298 -14.9951 -14.9905 -5.6845 -5.6829 -5.3551 -5.3471 -3.1217 -3.1107 -3.0603 -3.0520 -0.5725 -0.5590 -0.3740 -0.3610 0.6486 0.6587 0.6787 0.6853 1.8939 1.8985 2.1601 2.1673 2.6221 2.6313 2.7492 2.7596 12.4557 12.4616 12.7279 12.7379 13.1270 13.1343 13.6513 13.6596 k = 0.5000 0.4626 0.4212 ( 2294 PWs) bands (ev): -17.2929 -17.2928 -16.3708 -16.3673 -15.0303 -15.0298 -14.9951 -14.9905 -5.6845 -5.6829 -5.3551 -5.3471 -3.1217 -3.1107 -3.0603 -3.0520 -0.5725 -0.5590 -0.3740 -0.3610 0.6486 0.6587 0.6787 0.6853 1.8939 1.8985 2.1601 2.1673 2.6221 2.6313 2.7492 2.7596 12.4557 12.4616 12.7279 12.7379 13.1270 13.1343 13.6513 13.6596 k = 0.5000 0.4626 0.4071 ( 2286 PWs) bands (ev): -17.2934 -17.2933 -16.3697 -16.3662 -15.0313 -15.0307 -14.9978 -14.9932 -5.6668 -5.6652 -5.3382 -5.3300 -3.1294 -3.1183 -3.0704 -3.0622 -0.5693 -0.5559 -0.3666 -0.3536 0.6489 0.6594 0.6764 0.6832 1.8716 1.8764 2.1176 2.1246 2.6357 2.6447 2.7502 2.7606 12.4486 12.4544 12.7098 12.7199 13.1433 13.1504 13.6339 13.6423 k = 0.5000 0.4626 0.3931 ( 2286 PWs) bands (ev): -17.2939 -17.2938 -16.3687 -16.3651 -15.0322 -15.0316 -15.0006 -14.9959 -5.6493 -5.6476 -5.3214 -5.3130 -3.1368 -3.1258 -3.0801 -3.0720 -0.5650 -0.5515 -0.3583 -0.3453 0.6485 0.6594 0.6745 0.6814 1.8469 1.8518 2.0735 2.0803 2.6497 2.6584 2.7522 2.7626 12.4425 12.4483 12.6925 12.7026 13.1591 13.1659 13.6154 13.6239 k = 0.5000 0.4626 0.3791 ( 2290 PWs) bands (ev): -17.2944 -17.2943 -16.3677 -16.3641 -15.0331 -15.0325 -15.0033 -14.9986 -5.6321 -5.6304 -5.3048 -5.2963 -3.1439 -3.1331 -3.0894 -3.0815 -0.5593 -0.5458 -0.3490 -0.3360 0.6475 0.6586 0.6730 0.6799 1.8199 1.8248 2.0280 2.0347 2.6640 2.6725 2.7554 2.7658 12.4374 12.4432 12.6761 12.6861 13.1739 13.1806 13.5958 13.6044 k = 0.5000 0.4626 0.3650 ( 2290 PWs) bands (ev): -17.2950 -17.2949 -16.3667 -16.3631 -15.0339 -15.0332 -15.0059 -15.0012 -5.6152 -5.6135 -5.2884 -5.2798 -3.1506 -3.1401 -3.0982 -3.0905 -0.5522 -0.5387 -0.3387 -0.3257 0.6459 0.6569 0.6719 0.6787 1.7905 1.7954 1.9813 1.9879 2.6784 2.6867 2.7596 2.7699 12.4335 12.4393 12.6607 12.6707 13.1878 13.1943 13.5752 13.5838 k = 0.5000 0.4626 0.3510 ( 2294 PWs) bands (ev): -17.2956 -17.2955 -16.3657 -16.3621 -15.0346 -15.0340 -15.0084 -15.0038 -5.5988 -5.5970 -5.2724 -5.2637 -3.1569 -3.1466 -3.1064 -3.0990 -0.5438 -0.5303 -0.3272 -0.3143 0.6437 0.6546 0.6713 0.6778 1.7589 1.7638 1.9335 1.9400 2.6929 2.7009 2.7648 2.7749 12.4308 12.4366 12.6463 12.6564 13.2005 13.2067 13.5537 13.5624 k = 0.5000 0.4626 0.3370 ( 2298 PWs) bands (ev): -17.2963 -17.2962 -16.3648 -16.3612 -15.0353 -15.0346 -15.0108 -15.0063 -5.5829 -5.5811 -5.2568 -5.2481 -3.1627 -3.1528 -3.1141 -3.1070 -0.5340 -0.5205 -0.3146 -0.3017 0.6410 0.6516 0.6710 0.6771 1.7252 1.7301 1.8848 1.8912 2.7074 2.7152 2.7709 2.7808 12.4293 12.4352 12.6333 12.6432 13.2118 13.2178 13.5313 13.5401 k = 0.5000 0.4626 0.3229 ( 2292 PWs) bands (ev): -17.2969 -17.2968 -16.3639 -16.3604 -15.0359 -15.0352 -15.0131 -15.0087 -5.5676 -5.5658 -5.2417 -5.2329 -3.1679 -3.1584 -3.1212 -3.1145 -0.5228 -0.5093 -0.3008 -0.2880 0.6380 0.6483 0.6708 0.6765 1.6894 1.6944 1.8352 1.8416 2.7218 2.7294 2.7777 2.7874 12.4291 12.4351 12.6215 12.6314 13.2216 13.2274 13.5083 13.5170 k = 0.5000 0.4626 0.3089 ( 2292 PWs) bands (ev): -17.2976 -17.2975 -16.3631 -16.3596 -15.0365 -15.0357 -15.0154 -15.0110 -5.5530 -5.5512 -5.2270 -5.2184 -3.1725 -3.1634 -3.1277 -3.1214 -0.5102 -0.4968 -0.2858 -0.2730 0.6347 0.6448 0.6706 0.6760 1.6517 1.6568 1.7850 1.7913 2.7361 2.7434 2.7852 2.7946 12.4303 12.4363 12.6110 12.6208 13.2297 13.2353 13.4845 13.4933 k = 0.5000 0.4626 0.2948 ( 2288 PWs) bands (ev): -17.2983 -17.2982 -16.3623 -16.3588 -15.0370 -15.0361 -15.0175 -15.0132 -5.5390 -5.5372 -5.2130 -5.2044 -3.1766 -3.1679 -3.1337 -3.1278 -0.4963 -0.4829 -0.2695 -0.2567 0.6312 0.6411 0.6703 0.6754 1.6123 1.6174 1.7343 1.7406 2.7502 2.7572 2.7932 2.8023 12.4328 12.4389 12.6020 12.6117 13.2360 13.2415 13.4603 13.4690 k = 0.5000 0.4626 0.2808 ( 2292 PWs) bands (ev): -17.2990 -17.2989 -16.3615 -16.3582 -15.0374 -15.0365 -15.0194 -15.0153 -5.5259 -5.5240 -5.1996 -5.1911 -3.1800 -3.1718 -3.1391 -3.1336 -0.4810 -0.4677 -0.2519 -0.2392 0.6276 0.6373 0.6699 0.6747 1.5712 1.5763 1.6833 1.6896 2.7640 2.7708 2.8016 2.8104 12.4366 12.4428 12.5944 12.6039 13.2405 13.2458 13.4355 13.4442 k = 0.5000 0.4626 0.2668 ( 2286 PWs) bands (ev): -17.2997 -17.2996 -16.3608 -16.3575 -15.0378 -15.0369 -15.0213 -15.0174 -5.5134 -5.5116 -5.1868 -5.1784 -3.1827 -3.1751 -3.1439 -3.1388 -0.4644 -0.4511 -0.2330 -0.2203 0.6239 0.6335 0.6694 0.6740 1.5285 1.5337 1.6322 1.6384 2.7776 2.7841 2.8103 2.8187 12.4417 12.4480 12.5883 12.5976 13.2431 13.2482 13.4105 13.4191 k = 0.5000 0.4626 0.2527 ( 2292 PWs) bands (ev): -17.3004 -17.3003 -16.3602 -16.3570 -15.0381 -15.0371 -15.0230 -15.0193 -5.5018 -5.5000 -5.1748 -5.1666 -3.1849 -3.1777 -3.1482 -3.1435 -0.4466 -0.4334 -0.2127 -0.2001 0.6202 0.6297 0.6687 0.6732 1.4845 1.4896 1.5812 1.5873 2.7908 2.7970 2.8192 2.8273 12.4481 12.4545 12.5836 12.5928 13.2436 13.2487 13.3853 13.3938 k = 0.5000 0.4626 0.2387 ( 2292 PWs) bands (ev): -17.3011 -17.3010 -16.3595 -16.3564 -15.0384 -15.0373 -15.0246 -15.0211 -5.4910 -5.4893 -5.1634 -5.1554 -3.1864 -3.1798 -3.1519 -3.1477 -0.4276 -0.4145 -0.1910 -0.1785 0.6164 0.6259 0.6679 0.6722 1.4391 1.4443 1.5306 1.5365 2.8036 2.8095 2.8283 2.8359 12.4558 12.4623 12.5804 12.5893 13.2422 13.2473 13.3600 13.3683 k = 0.5000 0.4626 0.2246 ( 2300 PWs) bands (ev): -17.3017 -17.3017 -16.3590 -16.3560 -15.0386 -15.0375 -15.0261 -15.0228 -5.4810 -5.4793 -5.1527 -5.1450 -3.1874 -3.1813 -3.1552 -3.1514 -0.4075 -0.3945 -0.1680 -0.1556 0.6128 0.6222 0.6668 0.6710 1.3927 1.3978 1.4805 1.4861 2.8160 2.8215 2.8373 2.8445 12.4647 12.4713 12.5786 12.5873 13.2386 13.2439 13.3349 13.3429 k = 0.5000 0.4626 0.2106 ( 2296 PWs) bands (ev): -17.3024 -17.3023 -16.3584 -16.3556 -15.0388 -15.0376 -15.0274 -15.0244 -5.4718 -5.4702 -5.1428 -5.1354 -3.1878 -3.1823 -3.1579 -3.1545 -0.3864 -0.3736 -0.1437 -0.1313 0.6092 0.6186 0.6656 0.6698 1.3453 1.3503 1.4312 1.4366 2.8279 2.8331 2.8462 2.8530 12.4747 12.4814 12.5783 12.5867 13.2330 13.2385 13.3103 13.3177 k = 0.5000 0.4626 0.1966 ( 2288 PWs) bands (ev): -17.3031 -17.3030 -16.3580 -16.3552 -15.0390 -15.0377 -15.0286 -15.0259 -5.4635 -5.4619 -5.1336 -5.1265 -3.1878 -3.1828 -3.1601 -3.1572 -0.3645 -0.3519 -0.1180 -0.1057 0.6057 0.6152 0.6640 0.6683 1.2971 1.3020 1.3830 1.3879 2.8393 2.8441 2.8550 2.8613 12.4858 12.4926 12.5793 12.5874 13.2250 13.2312 13.2864 13.2931 k = 0.5000 0.4626 0.1825 ( 2292 PWs) bands (ev): -17.3037 -17.3037 -16.3575 -16.3549 -15.0391 -15.0378 -15.0297 -15.0272 -5.4559 -5.4544 -5.1252 -5.1184 -3.1874 -3.1829 -3.1620 -3.1595 -0.3419 -0.3295 -0.0910 -0.0788 0.6024 0.6119 0.6622 0.6666 1.2485 1.2531 1.3361 1.3405 2.8501 2.8546 2.8635 2.8693 12.4978 12.5047 12.5815 12.5892 13.2144 13.2216 13.2639 13.2695 k = 0.5000 0.4626 0.1685 ( 2292 PWs) bands (ev): -17.3044 -17.3043 -16.3571 -16.3547 -15.0393 -15.0378 -15.0306 -15.0284 -5.4490 -5.4476 -5.1174 -5.1110 -3.1866 -3.1827 -3.1634 -3.1614 -0.3187 -0.3067 -0.0628 -0.0508 0.5992 0.6087 0.6599 0.6647 1.1997 1.2041 1.2905 1.2944 2.8603 2.8644 2.8717 2.8770 12.5106 12.5176 12.5850 12.5923 13.2008 13.2094 13.2435 13.2477 k = 0.5000 0.4626 0.1544 ( 2288 PWs) bands (ev): -17.3049 -17.3049 -16.3567 -16.3545 -15.0394 -15.0379 -15.0314 -15.0296 -5.4429 -5.4416 -5.1103 -5.1044 -3.1856 -3.1821 -3.1644 -3.1628 -0.2953 -0.2836 -0.0334 -0.0216 0.5963 0.6058 0.6572 0.6624 1.1512 1.1554 1.2465 1.2499 2.8698 2.8735 2.8795 2.8843 12.5240 12.5311 12.5895 12.5963 13.1842 13.1939 13.2255 13.2285 k = 0.5000 0.4626 0.1404 ( 2290 PWs) bands (ev): -17.3055 -17.3054 -16.3564 -16.3543 -15.0395 -15.0379 -15.0320 -15.0306 -5.4375 -5.4363 -5.1040 -5.0985 -3.1844 -3.1814 -3.1652 -3.1639 -0.2719 -0.2606 -0.0030 0.0086 0.5937 0.6031 0.6540 0.6596 1.1033 1.1073 1.2044 1.2072 2.8786 2.8819 2.8869 2.8912 12.5379 12.5452 12.5949 12.6012 13.1652 13.1755 13.2098 13.2120 k = 0.5000 0.4626 0.1264 ( 2290 PWs) bands (ev): -17.3060 -17.3060 -16.3560 -16.3542 -15.0396 -15.0380 -15.0326 -15.0314 -5.4328 -5.4316 -5.0983 -5.0932 -3.1831 -3.1805 -3.1657 -3.1647 -0.2487 -0.2380 0.0282 0.0396 0.5913 0.6005 0.6501 0.6562 1.0565 1.0605 1.1643 1.1667 2.8867 2.8896 2.8938 2.8975 12.5521 12.5594 12.6011 12.6068 13.1451 13.1554 13.1956 13.1974 k = 0.5000 0.4626 0.1123 ( 2294 PWs) bands (ev): -17.3065 -17.3064 -16.3558 -16.3541 -15.0397 -15.0381 -15.0331 -15.0322 -5.4286 -5.4276 -5.0932 -5.0887 -3.1818 -3.1796 -3.1661 -3.1650 -0.2261 -0.2160 0.0600 0.0711 0.5892 0.5982 0.6452 0.6521 1.0116 1.0155 1.1266 1.1287 2.8940 2.8965 2.9002 2.9033 12.5663 12.5736 12.6079 12.6130 13.1250 13.1349 13.1823 13.1838 k = 0.5000 0.4626 0.0983 ( 2294 PWs) bands (ev): -17.3069 -17.3069 -16.3555 -16.3540 -15.0398 -15.0382 -15.0334 -15.0328 -5.4250 -5.4242 -5.0888 -5.0848 -3.1806 -3.1786 -3.1663 -3.1650 -0.2045 -0.1952 0.0922 0.1029 0.5874 0.5961 0.6393 0.6468 0.9692 0.9731 1.0917 1.0935 2.9005 2.9027 2.9059 2.9085 12.5802 12.5875 12.6152 12.6195 13.1057 13.1149 13.1698 13.1710 k = 0.5000 0.4626 0.0842 ( 2298 PWs) bands (ev): -17.3073 -17.3072 -16.3553 -16.3540 -15.0398 -15.0383 -15.0337 -15.0333 -5.4220 -5.4213 -5.0850 -5.0815 -3.1796 -3.1777 -3.1663 -3.1649 -0.1843 -0.1759 0.1242 0.1344 0.5861 0.5941 0.6321 0.6402 0.9302 0.9341 1.0600 1.0616 2.9062 2.9080 2.9110 2.9131 12.5934 12.6006 12.6225 12.6260 13.0876 13.0960 13.1580 13.1591 k = 0.5000 0.4626 0.0702 ( 2298 PWs) bands (ev): -17.3076 -17.3076 -16.3551 -16.3540 -15.0399 -15.0385 -15.0339 -15.0337 -5.4195 -5.4189 -5.0817 -5.0788 -3.1786 -3.1769 -3.1661 -3.1646 -0.1659 -0.1585 0.1554 0.1650 0.5851 0.5924 0.6235 0.6319 0.8957 0.8995 1.0320 1.0335 2.9110 2.9126 2.9154 2.9171 12.6056 12.6125 12.6298 12.6325 13.0713 13.0788 13.1472 13.1482 k = 0.5000 0.4626 0.0562 ( 2304 PWs) bands (ev): -17.3079 -17.3078 -16.3549 -16.3540 -15.0399 -15.0387 -15.0341 -15.0339 -5.4175 -5.4170 -5.0790 -5.0767 -3.1778 -3.1763 -3.1657 -3.1644 -0.1498 -0.1437 0.1849 0.1935 0.5844 0.5907 0.6136 0.6219 0.8666 0.8702 1.0082 1.0095 2.9150 2.9163 2.9190 2.9204 12.6163 12.6225 12.6368 12.6388 13.0572 13.0636 13.1378 13.1386 k = 0.5000 0.4626 0.0421 ( 2308 PWs) bands (ev): -17.3081 -17.3081 -16.3547 -16.3540 -15.0398 -15.0389 -15.0342 -15.0341 -5.4160 -5.4156 -5.0769 -5.0751 -3.1772 -3.1760 -3.1653 -3.1642 -0.1365 -0.1318 0.2115 0.2187 0.5841 0.5891 0.6033 0.6108 0.8439 0.8470 0.9891 0.9902 2.9181 2.9192 2.9219 2.9230 12.6251 12.6303 12.6432 12.6445 13.0458 13.0508 13.1300 13.1307 k = 0.5000 0.4626 0.0281 ( 2300 PWs) bands (ev): -17.3082 -17.3082 -16.3545 -16.3541 -15.0398 -15.0392 -15.0343 -15.0342 -5.4149 -5.4146 -5.0753 -5.0741 -3.1766 -3.1758 -3.1649 -3.1640 -0.1264 -0.1231 0.2334 0.2387 0.5840 0.5875 0.5942 0.6001 0.8279 0.8302 0.9751 0.9760 2.9204 2.9211 2.9241 2.9248 12.6318 12.6354 12.6484 12.6492 13.0376 13.0411 13.1242 13.1247 k = 0.5000 0.4626 0.0140 ( 2296 PWs) bands (ev): -17.3083 -17.3083 -16.3544 -16.3542 -15.0397 -15.0394 -15.0343 -15.0343 -5.4142 -5.4140 -5.0742 -5.0736 -3.1762 -3.1758 -3.1645 -3.1640 -0.1198 -0.1182 0.2485 0.2514 0.5832 0.5853 0.5891 0.5923 0.8188 0.8200 0.9667 0.9671 2.9218 2.9222 2.9255 2.9259 12.6362 12.6380 12.6519 12.6523 13.0329 13.0346 13.1207 13.1209 k = 0.5000 0.4626 0.0000 ( 2278 PWs) bands (ev): -17.3083 -17.3083 -16.3543 -16.3543 -15.0395 -15.0395 -15.0343 -15.0343 -5.4139 -5.4139 -5.0736 -5.0736 -3.1759 -3.1759 -3.1642 -3.1642 -0.1170 -0.1170 0.2548 0.2548 0.5830 0.5830 0.5890 0.5890 0.8162 0.8162 0.9640 0.9640 2.9225 2.9225 2.9261 2.9261 12.6383 12.6383 12.6533 12.6533 13.0319 13.0319 13.1196 13.1196 k = 0.0000 0.0000 0.7363 ( 2328 PWs) bands (ev): -17.2888 -17.2888 -16.3867 -16.3867 -15.0115 -15.0115 -14.9501 -14.9501 -5.9450 -5.9450 -5.5979 -5.5979 -2.9989 -2.9989 -2.8828 -2.8828 -0.4581 -0.4581 -0.4438 -0.4438 0.6128 0.6128 0.7082 0.7082 2.0049 2.0049 2.3720 2.3720 2.7788 2.7788 2.8052 2.8052 12.6168 12.6168 12.9089 12.9089 13.0440 13.0440 13.7625 13.7625 k = 0.0104 0.0096 0.7363 ( 2324 PWs) bands (ev): -17.2888 -17.2888 -16.3868 -16.3866 -15.0117 -15.0113 -14.9501 -14.9501 -5.9447 -5.9446 -5.5979 -5.5973 -3.0001 -2.9997 -2.8836 -2.8834 -0.4589 -0.4574 -0.4438 -0.4431 0.6135 0.6147 0.7089 0.7096 2.0044 2.0046 2.3719 2.3721 2.7781 2.7785 2.8044 2.8048 12.6167 12.6170 12.9052 12.9090 13.0435 13.0464 13.7600 13.7604 k = 0.0208 0.0193 0.7363 ( 2324 PWs) bands (ev): -17.2888 -17.2888 -16.3869 -16.3864 -15.0119 -15.0112 -14.9501 -14.9501 -5.9438 -5.9437 -5.5974 -5.5961 -3.0032 -3.0024 -2.8859 -2.8854 -0.4598 -0.4568 -0.4431 -0.4417 0.6169 0.6192 0.7116 0.7130 2.0031 2.0035 2.3716 2.3720 2.7764 2.7771 2.8025 2.8034 12.6166 12.6173 12.8984 12.9055 13.0448 13.0502 13.7530 13.7538 k = 0.0312 0.0289 0.7363 ( 2328 PWs) bands (ev): -17.2888 -17.2887 -16.3870 -16.3863 -15.0122 -15.0111 -14.9502 -14.9502 -5.9423 -5.9421 -5.5963 -5.5945 -3.0082 -3.0070 -2.8897 -2.8889 -0.4609 -0.4564 -0.4415 -0.4393 0.6228 0.6263 0.7163 0.7183 2.0010 2.0017 2.3712 2.3719 2.7736 2.7748 2.7994 2.8007 12.6165 12.6176 12.8889 12.8989 13.0476 13.0550 13.7418 13.7429 k = 0.0417 0.0385 0.7363 ( 2328 PWs) bands (ev): -17.2887 -17.2887 -16.3870 -16.3861 -15.0125 -15.0110 -14.9503 -14.9503 -5.9403 -5.9400 -5.5947 -5.5923 -3.0150 -3.0134 -2.8948 -2.8938 -0.4623 -0.4566 -0.4389 -0.4359 0.6311 0.6358 0.7230 0.7256 1.9981 1.9990 2.3708 2.3716 2.7699 2.7715 2.7953 2.7971 12.6166 12.6179 12.8774 12.8896 13.0515 13.0603 13.7269 13.7283 k = 0.0521 0.0482 0.7363 ( 2328 PWs) bands (ev): -17.2887 -17.2887 -16.3870 -16.3859 -15.0128 -15.0110 -14.9505 -14.9504 -5.9377 -5.9373 -5.5925 -5.5895 -3.0235 -3.0215 -2.9012 -2.8999 -0.4642 -0.4572 -0.4353 -0.4315 0.6417 0.6475 0.7316 0.7349 1.9944 1.9956 2.3702 2.3713 2.7653 2.7673 2.7901 2.7924 12.6167 12.6184 12.8642 12.8782 13.0559 13.0657 13.7088 13.7104 k = 0.0625 0.0578 0.7363 ( 2324 PWs) bands (ev): -17.2886 -17.2886 -16.3870 -16.3856 -15.0132 -15.0110 -14.9506 -14.9506 -5.9346 -5.9341 -5.5899 -5.5864 -3.0334 -3.0311 -2.9087 -2.9072 -0.4663 -0.4583 -0.4308 -0.4262 0.6545 0.6612 0.7420 0.7459 1.9900 1.9914 2.3695 2.3708 2.7598 2.7622 2.7839 2.7867 12.6169 12.6190 12.8500 12.8653 13.0606 13.0711 13.6881 13.6899 k = 0.0729 0.0675 0.7363 ( 2312 PWs) bands (ev): -17.2885 -17.2885 -16.3870 -16.3854 -15.0136 -15.0111 -14.9508 -14.9508 -5.9310 -5.9304 -5.5869 -5.5828 -3.0447 -3.0420 -2.9172 -2.9155 -0.4688 -0.4598 -0.4256 -0.4203 0.6691 0.6768 0.7541 0.7586 1.9848 1.9865 2.3687 2.3703 2.7537 2.7564 2.7769 2.7802 12.6173 12.6197 12.8349 12.8514 13.0652 13.0761 13.6655 13.6674 k = 0.0833 0.0771 0.7363 ( 2312 PWs) bands (ev): -17.2885 -17.2884 -16.3870 -16.3852 -15.0140 -15.0112 -14.9510 -14.9510 -5.9270 -5.9263 -5.5836 -5.5789 -3.0571 -3.0540 -2.9267 -2.9246 -0.4714 -0.4615 -0.4199 -0.4138 0.6853 0.6939 0.7679 0.7729 1.9789 1.9808 2.3679 2.3697 2.7468 2.7500 2.7691 2.7728 12.6178 12.6206 12.8193 12.8367 13.0695 13.0806 13.6413 13.6433 k = 0.0938 0.0867 0.7363 ( 2316 PWs) bands (ev): -17.2884 -17.2884 -16.3870 -16.3849 -15.0144 -15.0113 -14.9513 -14.9512 -5.9227 -5.9219 -5.5799 -5.5746 -3.0703 -3.0670 -2.9368 -2.9345 -0.4742 -0.4635 -0.4137 -0.4069 0.7029 0.7124 0.7831 0.7885 1.9723 1.9744 2.3669 2.3690 2.7394 2.7430 2.7606 2.7648 12.6185 12.6216 12.8035 12.8217 13.0735 13.0846 13.6163 13.6183 k = 0.1042 0.0964 0.7363 ( 2314 PWs) bands (ev): -17.2883 -17.2883 -16.3869 -16.3847 -15.0148 -15.0114 -14.9515 -14.9514 -5.9181 -5.9173 -5.5759 -5.5702 -3.0843 -3.0806 -2.9475 -2.9450 -0.4770 -0.4655 -0.4073 -0.3998 0.7216 0.7318 0.7995 0.8055 1.9649 1.9674 2.3658 2.3682 2.7316 2.7356 2.7516 2.7562 12.6194 12.6229 12.7877 12.8065 13.0769 13.0881 13.5909 13.5929 k = 0.1146 0.1060 0.7363 ( 2318 PWs) bands (ev): -17.2882 -17.2882 -16.3868 -16.3844 -15.0153 -15.0116 -14.9517 -14.9517 -5.9133 -5.9124 -5.5718 -5.5655 -3.0986 -3.0947 -2.9586 -2.9557 -0.4797 -0.4676 -0.4008 -0.3927 0.7410 0.7518 0.8170 0.8234 1.9570 1.9597 2.3646 2.3673 2.7235 2.7279 2.7421 2.7472 12.6205 12.6243 12.7720 12.7914 13.0800 13.0911 13.5654 13.5674 k = 0.1250 0.1156 0.7363 ( 2318 PWs) bands (ev): -17.2881 -17.2881 -16.3868 -16.3842 -15.0157 -15.0117 -14.9520 -14.9519 -5.9084 -5.9074 -5.5676 -5.5608 -3.1131 -3.1089 -2.9698 -2.9667 -0.4825 -0.4697 -0.3942 -0.3856 0.7608 0.7723 0.8353 0.8421 1.9485 1.9514 2.3634 2.3663 2.7153 2.7201 2.7323 2.7380 12.6217 12.6259 12.7568 12.7766 13.0825 13.0937 13.5403 13.5422 k = 0.1354 0.1253 0.7363 ( 2310 PWs) bands (ev): -17.2880 -17.2880 -16.3867 -16.3839 -15.0161 -15.0119 -14.9522 -14.9522 -5.9035 -5.9024 -5.5633 -5.5561 -3.1275 -3.1231 -2.9810 -2.9777 -0.4851 -0.4718 -0.3878 -0.3787 0.7807 0.7928 0.8542 0.8614 1.9397 1.9428 2.3621 2.3654 2.7070 2.7123 2.7225 2.7286 12.6232 12.6278 12.7421 12.7624 13.0847 13.0958 13.5159 13.5177 k = 0.1458 0.1349 0.7363 ( 2310 PWs) bands (ev): -17.2880 -17.2879 -16.3866 -16.3837 -15.0165 -15.0121 -14.9525 -14.9524 -5.8986 -5.8975 -5.5591 -5.5514 -3.1416 -3.1370 -2.9920 -2.9884 -0.4876 -0.4739 -0.3817 -0.3721 0.8003 0.8129 0.8733 0.8808 1.9304 1.9338 2.3607 2.3643 2.6988 2.7046 2.7128 2.7193 12.6249 12.6297 12.7282 12.7488 13.0864 13.0975 13.4924 13.4942 k = 0.1562 0.1446 0.7363 ( 2308 PWs) bands (ev): -17.2879 -17.2878 -16.3865 -16.3835 -15.0169 -15.0122 -14.9527 -14.9526 -5.8938 -5.8927 -5.5549 -5.5469 -3.1551 -3.1503 -3.0026 -2.9988 -0.4899 -0.4758 -0.3759 -0.3659 0.8193 0.8324 0.8924 0.9001 1.9211 1.9246 2.3593 2.3633 2.6909 2.6971 2.7033 2.7102 12.6267 12.6318 12.7151 12.7361 13.0878 13.0988 13.4703 13.4720 k = 0.1667 0.1542 0.7363 ( 2308 PWs) bands (ev): -17.2878 -17.2877 -16.3864 -16.3833 -15.0173 -15.0124 -14.9530 -14.9529 -5.8893 -5.8881 -5.5510 -5.5426 -3.1679 -3.1629 -3.0126 -3.0086 -0.4920 -0.4775 -0.3705 -0.3602 0.8374 0.8510 0.9109 0.9189 1.9117 1.9155 2.3579 2.3622 2.6833 2.6901 2.6943 2.7015 12.6285 12.6340 12.7030 12.7244 13.0889 13.0998 13.4498 13.4513 k = 0.1771 0.1638 0.7363 ( 2310 PWs) bands (ev): -17.2877 -17.2877 -16.3864 -16.3831 -15.0176 -15.0126 -14.9532 -14.9531 -5.8851 -5.8838 -5.5473 -5.5386 -3.1797 -3.1746 -3.0219 -3.0177 -0.4939 -0.4791 -0.3656 -0.3550 0.8543 0.8682 0.9286 0.9368 1.9025 1.9065 2.3566 2.3611 2.6763 2.6835 2.6859 2.6933 12.6304 12.6362 12.6921 12.7137 13.0897 13.1006 13.4309 13.4324 k = 0.1875 0.1735 0.7363 ( 2312 PWs) bands (ev): -17.2877 -17.2876 -16.3863 -16.3829 -15.0179 -15.0127 -14.9534 -14.9533 -5.8813 -5.8800 -5.5440 -5.5350 -3.1903 -3.1851 -3.0303 -3.0259 -0.4956 -0.4806 -0.3613 -0.3504 0.8696 0.8839 0.9451 0.9535 1.8939 1.8980 2.3553 2.3601 2.6698 2.6777 2.6783 2.6858 12.6323 12.6383 12.6824 12.7042 13.0903 13.1011 13.4141 13.4154 k = 0.1979 0.1831 0.7363 ( 2308 PWs) bands (ev): -17.2876 -17.2875 -16.3862 -16.3828 -15.0182 -15.0128 -14.9535 -14.9534 -5.8779 -5.8766 -5.5410 -5.5318 -3.1996 -3.1942 -3.0376 -3.0331 -0.4970 -0.4818 -0.3575 -0.3465 0.8832 0.8977 0.9600 0.9685 1.8859 1.8902 2.3541 2.3592 2.6639 2.6718 2.6725 2.6792 12.6341 12.6403 12.6741 12.6961 13.0908 13.1015 13.3995 13.4007 k = 0.2083 0.1927 0.7363 ( 2306 PWs) bands (ev): -17.2875 -17.2875 -16.3862 -16.3826 -15.0184 -15.0129 -14.9537 -14.9536 -5.8750 -5.8737 -5.5386 -5.5291 -3.2074 -3.2020 -3.0438 -3.0391 -0.4982 -0.4828 -0.3544 -0.3432 0.8946 0.9094 0.9728 0.9814 1.8789 1.8833 2.3530 2.3584 2.6589 2.6663 2.6682 2.6736 12.6357 12.6421 12.6671 12.6893 13.0911 13.1018 13.3873 13.3884 k = 0.2188 0.2024 0.7363 ( 2320 PWs) bands (ev): -17.2875 -17.2875 -16.3861 -16.3825 -15.0186 -15.0130 -14.9538 -14.9537 -5.8728 -5.8714 -5.5366 -5.5269 -3.2136 -3.2081 -3.0487 -3.0440 -0.4991 -0.4836 -0.3520 -0.3406 0.9037 0.9187 0.9832 0.9918 1.8731 1.8776 2.3521 2.3577 2.6548 2.6620 2.6647 2.6691 12.6370 12.6435 12.6616 12.6839 13.0913 13.1020 13.3776 13.3786 k = 0.2292 0.2120 0.7363 ( 2308 PWs) bands (ev): -17.2875 -17.2874 -16.3861 -16.3825 -15.0187 -15.0131 -14.9539 -14.9538 -5.8711 -5.8697 -5.5351 -5.5254 -3.2181 -3.2125 -3.0523 -3.0475 -0.4998 -0.4842 -0.3502 -0.3388 0.9104 0.9255 0.9908 0.9996 1.8688 1.8734 2.3515 2.3572 2.6517 2.6590 2.6623 2.6658 12.6380 12.6447 12.6576 12.6801 13.0914 13.1021 13.3706 13.3715 k = 0.2396 0.2216 0.7363 ( 2304 PWs) bands (ev): -17.2875 -17.2874 -16.3861 -16.3824 -15.0188 -15.0131 -14.9539 -14.9538 -5.8701 -5.8687 -5.5342 -5.5244 -3.2209 -3.2152 -3.0545 -3.0496 -0.5002 -0.4845 -0.3491 -0.3377 0.9145 0.9296 0.9955 1.0043 1.8662 1.8708 2.3511 2.3568 2.6499 2.6572 2.6608 2.6638 12.6387 12.6453 12.6552 12.6778 13.0915 13.1022 13.3664 13.3673 k = 0.2500 0.2313 0.7363 ( 2304 PWs) bands (ev): -17.2875 -17.2874 -16.3861 -16.3824 -15.0188 -15.0132 -14.9539 -14.9538 -5.8697 -5.8683 -5.5339 -5.5241 -3.2218 -3.2161 -3.0552 -3.0503 -0.5003 -0.4847 -0.3488 -0.3373 0.9158 0.9310 0.9971 1.0059 1.8653 1.8699 2.3510 2.3567 2.6492 2.6566 2.6603 2.6631 12.6389 12.6456 12.6544 12.6770 13.0915 13.1022 13.3650 13.3658 Writing output data file BPO4.save init_run : 3.05s CPU 12.16s WALL ( 1 calls) electrons : 420.96s CPU 426.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.23s CPU 1.88s WALL ( 1 calls) Called by electrons: c_bands : 420.93s CPU 425.85s WALL ( 1 calls) v_of_rho : 0.03s CPU 1.01s WALL ( 1 calls) v_h : 0.00s CPU 0.25s WALL ( 1 calls) v_xc : 0.03s CPU 0.59s WALL ( 1 calls) newd : 0.14s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 380 calls) cegterg : 398.81s CPU 401.58s WALL ( 760 calls) Called by sum_band: Called by *egterg: h_psi : 181.94s CPU 188.51s WALL ( 13761 calls) s_psi : 12.95s CPU 13.99s WALL ( 13761 calls) g_psi : 0.32s CPU 0.41s WALL ( 12621 calls) cdiaghg : 151.69s CPU 149.77s WALL ( 13001 calls) cegterg:over : 34.58s CPU 30.31s WALL ( 12621 calls) cegterg:upda : 3.10s CPU 6.08s WALL ( 12621 calls) cegterg:last : 3.41s CPU 4.33s WALL ( 2281 calls) Called by h_psi: h_psi:vloc : 148.16s CPU 154.54s WALL ( 13761 calls) h_psi:vnl : 33.65s CPU 33.58s WALL ( 13761 calls) add_vuspsi : 6.80s CPU 10.95s WALL ( 13761 calls) General routines calbec : 26.82s CPU 22.51s WALL ( 13761 calls) fft : 0.19s CPU 1.06s WALL ( 19 calls) ffts : 0.04s CPU 0.48s WALL ( 4 calls) fftw : 139.27s CPU 144.82s WALL ( 1163952 calls) interpolate : 0.04s CPU 0.49s WALL ( 4 calls) davcio : 0.04s CPU 0.70s WALL ( 760 calls) Parallel routines fft_scatter : 95.48s CPU 99.47s WALL ( 1163975 calls) PWSCF : 7m42.40s CPU 8m53.72s WALL This run was terminated on: 4:17:26 12Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=