Program PWSCF v.5.1.1 starts on 12Jun2016 at 20: 9: 1 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: ./LiBO2.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 46 46 13 1132 1132 167 Max 47 47 14 1136 1136 169 Sum 2251 2251 639 54423 54423 8065 bravais-lattice index = 14 lattice parameter (alat) = 8.3239 a.u. unit-cell volume = 386.8292 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.323929 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.546265 celldm(5)= -0.546265 celldm(6)= 0.092529 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.092529 0.995710 0.000000 ) a(3) = ( -0.546265 -0.497855 0.673599 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.092928 0.742282 ) b(2) = ( 0.000000 1.004309 0.742282 ) b(3) = ( 0.000000 0.000000 1.484563 ) 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 Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Li 3.00 6.94100 Li( 1.00) B 3.00 10.81100 B( 1.00) No symmetry found (note: 1 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0000000 0.0000000 0.0140053), wk = 0.0025773 k( 3) = ( 0.0000000 0.0000000 0.0280106), wk = 0.0025773 k( 4) = ( 0.0000000 0.0000000 0.0420159), wk = 0.0025773 k( 5) = ( 0.0000000 0.0000000 0.0560213), wk = 0.0025773 k( 6) = ( 0.0000000 0.0000000 0.0700266), wk = 0.0025773 k( 7) = ( 0.0000000 0.0000000 0.0840319), wk = 0.0025773 k( 8) = ( 0.0000000 0.0000000 0.0980372), wk = 0.0025773 k( 9) = ( 0.0000000 0.0000000 0.1120425), wk = 0.0025773 k( 10) = ( 0.0000000 0.0000000 0.1260478), wk = 0.0025773 k( 11) = ( 0.0000000 0.0000000 0.1400531), wk = 0.0025773 k( 12) = ( 0.0000000 0.0000000 0.1540584), wk = 0.0025773 k( 13) = ( 0.0000000 0.0000000 0.1680638), wk = 0.0025773 k( 14) = ( 0.0000000 0.0000000 0.1820691), wk = 0.0025773 k( 15) = ( 0.0000000 0.0000000 0.1960744), wk = 0.0025773 k( 16) = ( 0.0000000 0.0000000 0.2100797), wk = 0.0025773 k( 17) = ( 0.0000000 0.0000000 0.2240850), wk = 0.0025773 k( 18) = ( 0.0000000 0.0000000 0.2380903), wk = 0.0025773 k( 19) = ( 0.0000000 0.0000000 0.2520956), wk = 0.0025773 k( 20) = ( 0.0000000 0.0000000 0.2661009), wk = 0.0025773 k( 21) = ( 0.0000000 0.0000000 0.2801063), wk = 0.0025773 k( 22) = ( 0.0000000 0.0000000 0.2941116), wk = 0.0025773 k( 23) = ( 0.0000000 0.0000000 0.3081169), wk = 0.0025773 k( 24) = ( 0.0000000 0.0000000 0.3221222), wk = 0.0025773 k( 25) = ( 0.0000000 0.0000000 0.3361275), wk = 0.0025773 k( 26) = ( 0.0000000 0.0000000 0.3501328), wk = 0.0025773 k( 27) = ( 0.0000000 0.0000000 0.3641381), wk = 0.0025773 k( 28) = ( 0.0000000 0.0000000 0.3781434), wk = 0.0025773 k( 29) = ( 0.0000000 0.0000000 0.3921487), wk = 0.0025773 k( 30) = ( 0.0000000 0.0000000 0.4061541), wk = 0.0025773 k( 31) = ( 0.0000000 0.0000000 0.4201594), wk = 0.0025773 k( 32) = ( 0.0000000 0.0000000 0.4341647), wk = 0.0025773 k( 33) = ( 0.0000000 0.0000000 0.4481700), wk = 0.0025773 k( 34) = ( 0.0000000 0.0000000 0.4621753), wk = 0.0025773 k( 35) = ( 0.0000000 0.0000000 0.4761806), wk = 0.0025773 k( 36) = ( 0.0000000 0.0000000 0.4901859), wk = 0.0025773 k( 37) = ( 0.0000000 0.0000000 0.5041913), wk = 0.0025773 k( 38) = ( 0.0000000 0.0000000 0.5181966), wk = 0.0025773 k( 39) = ( 0.0000000 0.0000000 0.5322019), wk = 0.0025773 k( 40) = ( 0.0000000 0.0000000 0.5462072), wk = 0.0025773 k( 41) = ( 0.0000000 0.0000000 0.5602125), wk = 0.0025773 k( 42) = ( 0.0000000 0.0000000 0.5742178), wk = 0.0025773 k( 43) = ( 0.0000000 0.0000000 0.5882231), wk = 0.0025773 k( 44) = ( 0.0000000 0.0000000 0.6022284), wk = 0.0025773 k( 45) = ( 0.0000000 0.0000000 0.6162338), wk = 0.0025773 k( 46) = ( 0.0000000 0.0000000 0.6302391), wk = 0.0025773 k( 47) = ( 0.0000000 0.0000000 0.6442444), wk = 0.0025773 k( 48) = ( 0.0000000 0.0000000 0.6582497), wk = 0.0025773 k( 49) = ( 0.0000000 0.0000000 0.6722550), wk = 0.0025773 k( 50) = ( 0.0000000 0.0000000 0.6862603), wk = 0.0025773 k( 51) = ( 0.0000000 0.0000000 0.7002656), wk = 0.0025773 k( 52) = ( 0.0000000 0.0000000 0.7142710), wk = 0.0025773 k( 53) = ( 0.0000000 0.0000000 0.7282763), wk = 0.0025773 k( 54) = ( 0.0000000 0.0000000 0.7422816), wk = 0.0025773 k( 55) = ( 0.0000000 0.0000000 0.7422816), wk = 0.0025773 k( 56) = ( -0.0094388 0.0103566 0.7422816), wk = 0.0025773 k( 57) = ( -0.0188776 0.0207132 0.7422816), wk = 0.0025773 k( 58) = ( -0.0283164 0.0310698 0.7422816), wk = 0.0025773 k( 59) = ( -0.0377552 0.0414264 0.7422816), wk = 0.0025773 k( 60) = ( -0.0471940 0.0517830 0.7422816), wk = 0.0025773 k( 61) = ( -0.0566328 0.0621396 0.7422816), wk = 0.0025773 k( 62) = ( -0.0660716 0.0724962 0.7422816), wk = 0.0025773 k( 63) = ( -0.0755104 0.0828528 0.7422816), wk = 0.0025773 k( 64) = ( -0.0849492 0.0932094 0.7422816), wk = 0.0025773 k( 65) = ( -0.0943880 0.1035660 0.7422816), wk = 0.0025773 k( 66) = ( -0.1038268 0.1139226 0.7422816), wk = 0.0025773 k( 67) = ( -0.1132656 0.1242792 0.7422816), wk = 0.0025773 k( 68) = ( -0.1227044 0.1346358 0.7422816), wk = 0.0025773 k( 69) = ( -0.1321432 0.1449924 0.7422816), wk = 0.0025773 k( 70) = ( -0.1415820 0.1553490 0.7422816), wk = 0.0025773 k( 71) = ( -0.1510208 0.1657056 0.7422816), wk = 0.0025773 k( 72) = ( -0.1604597 0.1760622 0.7422816), wk = 0.0025773 k( 73) = ( -0.1698985 0.1864188 0.7422816), wk = 0.0025773 k( 74) = ( -0.1793373 0.1967754 0.7422816), wk = 0.0025773 k( 75) = ( -0.1887761 0.2071320 0.7422816), wk = 0.0025773 k( 76) = ( -0.1982149 0.2174886 0.7422816), wk = 0.0025773 k( 77) = ( -0.2076537 0.2278452 0.7422816), wk = 0.0025773 k( 78) = ( -0.2076537 0.2278452 0.7422816), wk = 0.0025773 k( 79) = ( -0.2142979 0.2351355 0.7324178), wk = 0.0025773 k( 80) = ( -0.2209421 0.2424257 0.7225540), wk = 0.0025773 k( 81) = ( -0.2275864 0.2497161 0.7126902), wk = 0.0025773 k( 82) = ( -0.2342306 0.2570063 0.7028264), wk = 0.0025773 k( 83) = ( -0.2408748 0.2642966 0.6929626), wk = 0.0025773 k( 84) = ( -0.2475191 0.2715869 0.6830989), wk = 0.0025773 k( 85) = ( -0.2541633 0.2788772 0.6732351), wk = 0.0025773 k( 86) = ( -0.2608075 0.2861675 0.6633713), wk = 0.0025773 k( 87) = ( -0.2674518 0.2934578 0.6535075), wk = 0.0025773 k( 88) = ( -0.2740960 0.3007481 0.6436437), wk = 0.0025773 k( 89) = ( -0.2807403 0.3080384 0.6337799), wk = 0.0025773 k( 90) = ( -0.2873845 0.3153287 0.6239161), wk = 0.0025773 k( 91) = ( -0.2940287 0.3226190 0.6140524), wk = 0.0025773 k( 92) = ( -0.3006729 0.3299093 0.6041886), wk = 0.0025773 k( 93) = ( -0.3073172 0.3371996 0.5943248), wk = 0.0025773 k( 94) = ( -0.3139614 0.3444899 0.5844610), wk = 0.0025773 k( 95) = ( -0.3206057 0.3517802 0.5745972), wk = 0.0025773 k( 96) = ( -0.3272499 0.3590705 0.5647334), wk = 0.0025773 k( 97) = ( -0.3338941 0.3663608 0.5548696), wk = 0.0025773 k( 98) = ( -0.3405384 0.3736511 0.5450058), wk = 0.0025773 k( 99) = ( -0.3471826 0.3809414 0.5351421), wk = 0.0025773 k( 100) = ( -0.3538268 0.3882317 0.5252783), wk = 0.0025773 k( 101) = ( -0.3538268 0.3882317 0.5252783), wk = 0.0025773 k( 102) = ( -0.3471509 0.3809066 0.5153674), wk = 0.0025773 k( 103) = ( -0.3404749 0.3735814 0.5054564), wk = 0.0025773 k( 104) = ( -0.3337989 0.3662563 0.4955455), wk = 0.0025773 k( 105) = ( -0.3271229 0.3589312 0.4856346), wk = 0.0025773 k( 106) = ( -0.3204469 0.3516060 0.4757237), wk = 0.0025773 k( 107) = ( -0.3137710 0.3442809 0.4658128), wk = 0.0025773 k( 108) = ( -0.3070950 0.3369558 0.4559019), wk = 0.0025773 k( 109) = ( -0.3004190 0.3296307 0.4459910), wk = 0.0025773 k( 110) = ( -0.2937430 0.3223055 0.4360801), wk = 0.0025773 k( 111) = ( -0.2870670 0.3149804 0.4261692), wk = 0.0025773 k( 112) = ( -0.2803911 0.3076553 0.4162582), wk = 0.0025773 k( 113) = ( -0.2737151 0.3003302 0.4063473), wk = 0.0025773 k( 114) = ( -0.2670391 0.2930050 0.3964364), wk = 0.0025773 k( 115) = ( -0.2603631 0.2856799 0.3865255), wk = 0.0025773 k( 116) = ( -0.2536872 0.2783548 0.3766146), wk = 0.0025773 k( 117) = ( -0.2470112 0.2710297 0.3667037), wk = 0.0025773 k( 118) = ( -0.2403352 0.2637045 0.3567928), wk = 0.0025773 k( 119) = ( -0.2336592 0.2563794 0.3468819), wk = 0.0025773 k( 120) = ( -0.2269832 0.2490543 0.3369710), wk = 0.0025773 k( 121) = ( -0.2203073 0.2417292 0.3270601), wk = 0.0025773 k( 122) = ( -0.2136313 0.2344040 0.3171491), wk = 0.0025773 k( 123) = ( -0.2069553 0.2270789 0.3072382), wk = 0.0025773 k( 124) = ( -0.2002793 0.2197538 0.2973273), wk = 0.0025773 k( 125) = ( -0.1936034 0.2124287 0.2874164), wk = 0.0025773 k( 126) = ( -0.1869274 0.2051035 0.2775055), wk = 0.0025773 k( 127) = ( -0.1802514 0.1977784 0.2675946), wk = 0.0025773 k( 128) = ( -0.1735754 0.1904533 0.2576837), wk = 0.0025773 k( 129) = ( -0.1668995 0.1831282 0.2477728), wk = 0.0025773 k( 130) = ( -0.1602235 0.1758030 0.2378619), wk = 0.0025773 k( 131) = ( -0.1535475 0.1684779 0.2279509), wk = 0.0025773 k( 132) = ( -0.1468715 0.1611528 0.2180400), wk = 0.0025773 k( 133) = ( -0.1401955 0.1538277 0.2081291), wk = 0.0025773 k( 134) = ( -0.1335196 0.1465025 0.1982182), wk = 0.0025773 k( 135) = ( -0.1268436 0.1391774 0.1883073), wk = 0.0025773 k( 136) = ( -0.1201676 0.1318523 0.1783964), wk = 0.0025773 k( 137) = ( -0.1134916 0.1245271 0.1684855), wk = 0.0025773 k( 138) = ( -0.1068156 0.1172020 0.1585746), wk = 0.0025773 k( 139) = ( -0.1001397 0.1098769 0.1486637), wk = 0.0025773 k( 140) = ( -0.0934637 0.1025518 0.1387527), wk = 0.0025773 k( 141) = ( -0.0867877 0.0952266 0.1288418), wk = 0.0025773 k( 142) = ( -0.0801117 0.0879015 0.1189309), wk = 0.0025773 k( 143) = ( -0.0734358 0.0805764 0.1090200), wk = 0.0025773 k( 144) = ( -0.0667598 0.0732513 0.0991091), wk = 0.0025773 k( 145) = ( -0.0600838 0.0659261 0.0891982), wk = 0.0025773 k( 146) = ( -0.0534078 0.0586010 0.0792873), wk = 0.0025773 k( 147) = ( -0.0467318 0.0512759 0.0693764), wk = 0.0025773 k( 148) = ( -0.0400559 0.0439508 0.0594655), wk = 0.0025773 k( 149) = ( -0.0333799 0.0366256 0.0495546), wk = 0.0025773 k( 150) = ( -0.0267039 0.0293005 0.0396436), wk = 0.0025773 k( 151) = ( -0.0200279 0.0219754 0.0297327), wk = 0.0025773 k( 152) = ( -0.0133520 0.0146503 0.0198218), wk = 0.0025773 k( 153) = ( -0.0066760 0.0073251 0.0099109), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 156) = ( 0.0102041 0.0092998 0.0000000), wk = 0.0025773 k( 157) = ( 0.0204082 0.0185996 0.0000000), wk = 0.0025773 k( 158) = ( 0.0306122 0.0278994 0.0000000), wk = 0.0025773 k( 159) = ( 0.0408163 0.0371992 0.0000000), wk = 0.0025773 k( 160) = ( 0.0510204 0.0464990 0.0000000), wk = 0.0025773 k( 161) = ( 0.0612245 0.0557988 0.0000000), wk = 0.0025773 k( 162) = ( 0.0714286 0.0650986 0.0000000), wk = 0.0025773 k( 163) = ( 0.0816327 0.0743984 0.0000000), wk = 0.0025773 k( 164) = ( 0.0918367 0.0836982 0.0000000), wk = 0.0025773 k( 165) = ( 0.1020408 0.0929980 0.0000000), wk = 0.0025773 k( 166) = ( 0.1122449 0.1022978 0.0000000), wk = 0.0025773 k( 167) = ( 0.1224490 0.1115976 0.0000000), wk = 0.0025773 k( 168) = ( 0.1326531 0.1208974 0.0000000), wk = 0.0025773 k( 169) = ( 0.1428571 0.1301972 0.0000000), wk = 0.0025773 k( 170) = ( 0.1530612 0.1394970 0.0000000), wk = 0.0025773 k( 171) = ( 0.1632653 0.1487968 0.0000000), wk = 0.0025773 k( 172) = ( 0.1734694 0.1580966 0.0000000), wk = 0.0025773 k( 173) = ( 0.1836735 0.1673964 0.0000000), wk = 0.0025773 k( 174) = ( 0.1938776 0.1766962 0.0000000), wk = 0.0025773 k( 175) = ( 0.2040816 0.1859960 0.0000000), wk = 0.0025773 k( 176) = ( 0.2142857 0.1952958 0.0000000), wk = 0.0025773 k( 177) = ( 0.2244898 0.2045957 0.0000000), wk = 0.0025773 k( 178) = ( 0.2346939 0.2138955 0.0000000), wk = 0.0025773 k( 179) = ( 0.2448980 0.2231953 0.0000000), wk = 0.0025773 k( 180) = ( 0.2551020 0.2324951 0.0000000), wk = 0.0025773 k( 181) = ( 0.2653061 0.2417949 0.0000000), wk = 0.0025773 k( 182) = ( 0.2755102 0.2510947 0.0000000), wk = 0.0025773 k( 183) = ( 0.2857143 0.2603945 0.0000000), wk = 0.0025773 k( 184) = ( 0.2959184 0.2696943 0.0000000), wk = 0.0025773 k( 185) = ( 0.3061224 0.2789941 0.0000000), wk = 0.0025773 k( 186) = ( 0.3163265 0.2882939 0.0000000), wk = 0.0025773 k( 187) = ( 0.3265306 0.2975937 0.0000000), wk = 0.0025773 k( 188) = ( 0.3367347 0.3068935 0.0000000), wk = 0.0025773 k( 189) = ( 0.3469388 0.3161933 0.0000000), wk = 0.0025773 k( 190) = ( 0.3571429 0.3254931 0.0000000), wk = 0.0025773 k( 191) = ( 0.3673469 0.3347929 0.0000000), wk = 0.0025773 k( 192) = ( 0.3775510 0.3440927 0.0000000), wk = 0.0025773 k( 193) = ( 0.3877551 0.3533925 0.0000000), wk = 0.0025773 k( 194) = ( 0.3979592 0.3626923 0.0000000), wk = 0.0025773 k( 195) = ( 0.4081633 0.3719921 0.0000000), wk = 0.0025773 k( 196) = ( 0.4183674 0.3812919 0.0000000), wk = 0.0025773 k( 197) = ( 0.4285714 0.3905917 0.0000000), wk = 0.0025773 k( 198) = ( 0.4387755 0.3998915 0.0000000), wk = 0.0025773 k( 199) = ( 0.4489796 0.4091913 0.0000000), wk = 0.0025773 k( 200) = ( 0.4591837 0.4184911 0.0000000), wk = 0.0025773 k( 201) = ( 0.4693878 0.4277909 0.0000000), wk = 0.0025773 k( 202) = ( 0.4795918 0.4370907 0.0000000), wk = 0.0025773 k( 203) = ( 0.4897959 0.4463905 0.0000000), wk = 0.0025773 k( 204) = ( 0.5000000 0.4556903 0.0000000), wk = 0.0025773 k( 205) = ( 0.5000000 0.4556903 0.0000000), wk = 0.0025773 k( 206) = ( 0.4933558 0.4629806 0.0098638), wk = 0.0025773 k( 207) = ( 0.4867115 0.4702709 0.0197276), wk = 0.0025773 k( 208) = ( 0.4800673 0.4775612 0.0295914), wk = 0.0025773 k( 209) = ( 0.4734231 0.4848515 0.0394551), wk = 0.0025773 k( 210) = ( 0.4667788 0.4921418 0.0493189), wk = 0.0025773 k( 211) = ( 0.4601346 0.4994321 0.0591827), wk = 0.0025773 k( 212) = ( 0.4534904 0.5067224 0.0690465), wk = 0.0025773 k( 213) = ( 0.4468461 0.5140127 0.0789103), wk = 0.0025773 k( 214) = ( 0.4402019 0.5213030 0.0887741), wk = 0.0025773 k( 215) = ( 0.4335577 0.5285933 0.0986379), wk = 0.0025773 k( 216) = ( 0.4269134 0.5358836 0.1085016), wk = 0.0025773 k( 217) = ( 0.4202692 0.5431739 0.1183654), wk = 0.0025773 k( 218) = ( 0.4136249 0.5504642 0.1282292), wk = 0.0025773 k( 219) = ( 0.4069807 0.5577545 0.1380930), wk = 0.0025773 k( 220) = ( 0.4003365 0.5650448 0.1479568), wk = 0.0025773 k( 221) = ( 0.3936922 0.5723351 0.1578206), wk = 0.0025773 k( 222) = ( 0.3870480 0.5796253 0.1676844), wk = 0.0025773 k( 223) = ( 0.3804038 0.5869157 0.1775482), wk = 0.0025773 k( 224) = ( 0.3737595 0.5942059 0.1874119), wk = 0.0025773 k( 225) = ( 0.3671153 0.6014962 0.1972757), wk = 0.0025773 k( 226) = ( 0.3604711 0.6087865 0.2071395), wk = 0.0025773 k( 227) = ( 0.3538268 0.6160768 0.2170033), wk = 0.0025773 k( 228) = ( 0.3538268 0.6160768 0.2170033), wk = 0.0025773 k( 229) = ( 0.3416259 0.6121485 0.2223184), wk = 0.0025773 k( 230) = ( 0.3294250 0.6082201 0.2276335), wk = 0.0025773 k( 231) = ( 0.3172241 0.6042917 0.2329486), wk = 0.0025773 k( 232) = ( 0.3050231 0.6003634 0.2382636), wk = 0.0025773 k( 233) = ( 0.2928222 0.5964350 0.2435787), wk = 0.0025773 k( 234) = ( 0.2806213 0.5925066 0.2488938), wk = 0.0025773 k( 235) = ( 0.2684203 0.5885783 0.2542089), wk = 0.0025773 k( 236) = ( 0.2562194 0.5846499 0.2595240), wk = 0.0025773 k( 237) = ( 0.2440185 0.5807216 0.2648391), wk = 0.0025773 k( 238) = ( 0.2318176 0.5767932 0.2701542), wk = 0.0025773 k( 239) = ( 0.2196166 0.5728648 0.2754692), wk = 0.0025773 k( 240) = ( 0.2074157 0.5689365 0.2807843), wk = 0.0025773 k( 241) = ( 0.1952148 0.5650081 0.2860994), wk = 0.0025773 k( 242) = ( 0.1830139 0.5610797 0.2914145), wk = 0.0025773 k( 243) = ( 0.1708129 0.5571514 0.2967296), wk = 0.0025773 k( 244) = ( 0.1586120 0.5532230 0.3020447), wk = 0.0025773 k( 245) = ( 0.1464111 0.5492946 0.3073598), wk = 0.0025773 k( 246) = ( 0.1342102 0.5453663 0.3126748), wk = 0.0025773 k( 247) = ( 0.1220092 0.5414379 0.3179899), wk = 0.0025773 k( 248) = ( 0.1098083 0.5375095 0.3233050), wk = 0.0025773 k( 249) = ( 0.0976074 0.5335812 0.3286201), wk = 0.0025773 k( 250) = ( 0.0854065 0.5296528 0.3339352), wk = 0.0025773 k( 251) = ( 0.0732055 0.5257244 0.3392503), wk = 0.0025773 k( 252) = ( 0.0610046 0.5217961 0.3445654), wk = 0.0025773 k( 253) = ( 0.0488037 0.5178677 0.3498804), wk = 0.0025773 k( 254) = ( 0.0366028 0.5139393 0.3551955), wk = 0.0025773 k( 255) = ( 0.0244018 0.5100110 0.3605106), wk = 0.0025773 k( 256) = ( 0.0122009 0.5060826 0.3658257), wk = 0.0025773 k( 257) = ( 0.0000000 0.5021543 0.3711408), wk = 0.0025773 k( 258) = ( 0.0000000 0.5021543 0.3711408), wk = 0.0025773 k( 259) = ( 0.0065790 0.4949356 0.3809077), wk = 0.0025773 k( 260) = ( 0.0131579 0.4877169 0.3906745), wk = 0.0025773 k( 261) = ( 0.0197368 0.4804983 0.4004414), wk = 0.0025773 k( 262) = ( 0.0263158 0.4732796 0.4102082), wk = 0.0025773 k( 263) = ( 0.0328947 0.4660610 0.4199751), wk = 0.0025773 k( 264) = ( 0.0394737 0.4588423 0.4297420), wk = 0.0025773 k( 265) = ( 0.0460526 0.4516236 0.4395088), wk = 0.0025773 k( 266) = ( 0.0526316 0.4444050 0.4492757), wk = 0.0025773 k( 267) = ( 0.0592105 0.4371863 0.4590426), wk = 0.0025773 k( 268) = ( 0.0657895 0.4299677 0.4688094), wk = 0.0025773 k( 269) = ( 0.0723684 0.4227490 0.4785763), wk = 0.0025773 k( 270) = ( 0.0789474 0.4155303 0.4883431), wk = 0.0025773 k( 271) = ( 0.0855263 0.4083117 0.4981100), wk = 0.0025773 k( 272) = ( 0.0921053 0.4010930 0.5078769), wk = 0.0025773 k( 273) = ( 0.0986842 0.3938743 0.5176437), wk = 0.0025773 k( 274) = ( 0.1052632 0.3866557 0.5274106), wk = 0.0025773 k( 275) = ( 0.1118421 0.3794370 0.5371775), wk = 0.0025773 k( 276) = ( 0.1184210 0.3722184 0.5469443), wk = 0.0025773 k( 277) = ( 0.1250000 0.3649997 0.5567112), wk = 0.0025773 k( 278) = ( 0.1315790 0.3577810 0.5664780), wk = 0.0025773 k( 279) = ( 0.1381579 0.3505624 0.5762449), wk = 0.0025773 k( 280) = ( 0.1447368 0.3433437 0.5860118), wk = 0.0025773 k( 281) = ( 0.1513158 0.3361251 0.5957786), wk = 0.0025773 k( 282) = ( 0.1578947 0.3289064 0.6055455), wk = 0.0025773 k( 283) = ( 0.1644737 0.3216877 0.6153123), wk = 0.0025773 k( 284) = ( 0.1710526 0.3144691 0.6250792), wk = 0.0025773 k( 285) = ( 0.1776316 0.3072504 0.6348461), wk = 0.0025773 k( 286) = ( 0.1842105 0.3000318 0.6446129), wk = 0.0025773 k( 287) = ( 0.1907895 0.2928131 0.6543798), wk = 0.0025773 k( 288) = ( 0.1973684 0.2855944 0.6641467), wk = 0.0025773 k( 289) = ( 0.2039474 0.2783758 0.6739135), wk = 0.0025773 k( 290) = ( 0.2105263 0.2711571 0.6836804), wk = 0.0025773 k( 291) = ( 0.2171053 0.2639385 0.6934473), wk = 0.0025773 k( 292) = ( 0.2236842 0.2567198 0.7032141), wk = 0.0025773 k( 293) = ( 0.2302632 0.2495011 0.7129810), wk = 0.0025773 k( 294) = ( 0.2368421 0.2422825 0.7227479), wk = 0.0025773 k( 295) = ( 0.2434210 0.2350638 0.7325147), wk = 0.0025773 k( 296) = ( 0.2500000 0.2278452 0.7422816), wk = 0.0025773 k( 297) = ( 0.2500000 0.2278452 0.7422816), wk = 0.0025773 k( 298) = ( 0.2575758 0.2347496 0.7329399), wk = 0.0025773 k( 299) = ( 0.2651515 0.2416540 0.7235982), wk = 0.0025773 k( 300) = ( 0.2727273 0.2485583 0.7142566), wk = 0.0025773 k( 301) = ( 0.2803030 0.2554628 0.7049149), wk = 0.0025773 k( 302) = ( 0.2878788 0.2623672 0.6955733), wk = 0.0025773 k( 303) = ( 0.2954545 0.2692716 0.6862316), wk = 0.0025773 k( 304) = ( 0.3030303 0.2761759 0.6768899), wk = 0.0025773 k( 305) = ( 0.3106061 0.2830803 0.6675482), wk = 0.0025773 k( 306) = ( 0.3181818 0.2899847 0.6582066), wk = 0.0025773 k( 307) = ( 0.3257576 0.2968891 0.6488649), wk = 0.0025773 k( 308) = ( 0.3333333 0.3037935 0.6395232), wk = 0.0025773 k( 309) = ( 0.3409091 0.3106979 0.6301816), wk = 0.0025773 k( 310) = ( 0.3484849 0.3176023 0.6208399), wk = 0.0025773 k( 311) = ( 0.3560606 0.3245067 0.6114983), wk = 0.0025773 k( 312) = ( 0.3636364 0.3314111 0.6021566), wk = 0.0025773 k( 313) = ( 0.3712121 0.3383155 0.5928149), wk = 0.0025773 k( 314) = ( 0.3787879 0.3452199 0.5834732), wk = 0.0025773 k( 315) = ( 0.3863636 0.3521243 0.5741316), wk = 0.0025773 k( 316) = ( 0.3939394 0.3590287 0.5647899), wk = 0.0025773 k( 317) = ( 0.4015151 0.3659331 0.5554482), wk = 0.0025773 k( 318) = ( 0.4090909 0.3728375 0.5461066), wk = 0.0025773 k( 319) = ( 0.4166667 0.3797419 0.5367649), wk = 0.0025773 k( 320) = ( 0.4242424 0.3866463 0.5274233), wk = 0.0025773 k( 321) = ( 0.4318182 0.3935507 0.5180816), wk = 0.0025773 k( 322) = ( 0.4393939 0.4004551 0.5087399), wk = 0.0025773 k( 323) = ( 0.4469697 0.4073595 0.4993983), wk = 0.0025773 k( 324) = ( 0.4545455 0.4142639 0.4900566), wk = 0.0025773 k( 325) = ( 0.4621212 0.4211683 0.4807149), wk = 0.0025773 k( 326) = ( 0.4696970 0.4280727 0.4713733), wk = 0.0025773 k( 327) = ( 0.4772727 0.4349771 0.4620316), wk = 0.0025773 k( 328) = ( 0.4848485 0.4418815 0.4526899), wk = 0.0025773 k( 329) = ( 0.4924242 0.4487859 0.4433483), wk = 0.0025773 k( 330) = ( 0.5000000 0.4556903 0.4340066), wk = 0.0025773 k( 331) = ( 0.5000000 0.4556903 0.4340066), wk = 0.0025773 k( 332) = ( 0.5000000 0.4556903 0.4200064), wk = 0.0025773 k( 333) = ( 0.5000000 0.4556903 0.4060062), wk = 0.0025773 k( 334) = ( 0.5000000 0.4556903 0.3920060), wk = 0.0025773 k( 335) = ( 0.5000000 0.4556903 0.3780057), wk = 0.0025773 k( 336) = ( 0.5000000 0.4556903 0.3640055), wk = 0.0025773 k( 337) = ( 0.5000000 0.4556903 0.3500053), wk = 0.0025773 k( 338) = ( 0.5000000 0.4556903 0.3360051), wk = 0.0025773 k( 339) = ( 0.5000000 0.4556903 0.3220049), wk = 0.0025773 k( 340) = ( 0.5000000 0.4556903 0.3080047), wk = 0.0025773 k( 341) = ( 0.5000000 0.4556903 0.2940045), wk = 0.0025773 k( 342) = ( 0.5000000 0.4556903 0.2800043), wk = 0.0025773 k( 343) = ( 0.5000000 0.4556903 0.2660040), wk = 0.0025773 k( 344) = ( 0.5000000 0.4556903 0.2520038), wk = 0.0025773 k( 345) = ( 0.5000000 0.4556903 0.2380036), wk = 0.0025773 k( 346) = ( 0.5000000 0.4556903 0.2240034), wk = 0.0025773 k( 347) = ( 0.5000000 0.4556903 0.2100032), wk = 0.0025773 k( 348) = ( 0.5000000 0.4556903 0.1960030), wk = 0.0025773 k( 349) = ( 0.5000000 0.4556903 0.1820028), wk = 0.0025773 k( 350) = ( 0.5000000 0.4556903 0.1680025), wk = 0.0025773 k( 351) = ( 0.5000000 0.4556903 0.1540023), wk = 0.0025773 k( 352) = ( 0.5000000 0.4556903 0.1400021), wk = 0.0025773 k( 353) = ( 0.5000000 0.4556903 0.1260019), wk = 0.0025773 k( 354) = ( 0.5000000 0.4556903 0.1120017), wk = 0.0025773 k( 355) = ( 0.5000000 0.4556903 0.0980015), wk = 0.0025773 k( 356) = ( 0.5000000 0.4556903 0.0840013), wk = 0.0025773 k( 357) = ( 0.5000000 0.4556903 0.0700011), wk = 0.0025773 k( 358) = ( 0.5000000 0.4556903 0.0560009), wk = 0.0025773 k( 359) = ( 0.5000000 0.4556903 0.0420006), wk = 0.0025773 k( 360) = ( 0.5000000 0.4556903 0.0280004), wk = 0.0025773 k( 361) = ( 0.5000000 0.4556903 0.0140002), wk = 0.0025773 k( 362) = ( 0.5000000 0.4556903 0.0000000), wk = 0.0025773 k( 363) = ( 0.0000000 0.0000000 0.7422816), wk = 0.0025773 k( 364) = ( 0.0100000 0.0091138 0.7422816), wk = 0.0025773 k( 365) = ( 0.0200000 0.0182276 0.7422816), wk = 0.0025773 k( 366) = ( 0.0300000 0.0273414 0.7422816), wk = 0.0025773 k( 367) = ( 0.0400000 0.0364552 0.7422816), wk = 0.0025773 k( 368) = ( 0.0500000 0.0455690 0.7422816), wk = 0.0025773 k( 369) = ( 0.0600000 0.0546828 0.7422816), wk = 0.0025773 k( 370) = ( 0.0700000 0.0637966 0.7422816), wk = 0.0025773 k( 371) = ( 0.0800000 0.0729105 0.7422816), wk = 0.0025773 k( 372) = ( 0.0900000 0.0820243 0.7422816), wk = 0.0025773 k( 373) = ( 0.1000000 0.0911381 0.7422816), wk = 0.0025773 k( 374) = ( 0.1100000 0.1002519 0.7422816), wk = 0.0025773 k( 375) = ( 0.1200000 0.1093657 0.7422816), wk = 0.0025773 k( 376) = ( 0.1300000 0.1184795 0.7422816), wk = 0.0025773 k( 377) = ( 0.1400000 0.1275933 0.7422816), wk = 0.0025773 k( 378) = ( 0.1500000 0.1367071 0.7422816), wk = 0.0025773 k( 379) = ( 0.1600000 0.1458209 0.7422816), wk = 0.0025773 k( 380) = ( 0.1700000 0.1549347 0.7422816), wk = 0.0025773 k( 381) = ( 0.1800000 0.1640485 0.7422816), wk = 0.0025773 k( 382) = ( 0.1900000 0.1731623 0.7422816), wk = 0.0025773 k( 383) = ( 0.2000000 0.1822761 0.7422816), wk = 0.0025773 k( 384) = ( 0.2100000 0.1913899 0.7422816), wk = 0.0025773 k( 385) = ( 0.2200000 0.2005037 0.7422816), wk = 0.0025773 k( 386) = ( 0.2300000 0.2096175 0.7422816), wk = 0.0025773 k( 387) = ( 0.2400000 0.2187314 0.7422816), wk = 0.0025773 k( 388) = ( 0.2500000 0.2278452 0.7422816), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0000000 0.0000000 0.0094340), wk = 0.0025773 k( 3) = ( 0.0000000 0.0000000 0.0188679), wk = 0.0025773 k( 4) = ( 0.0000000 0.0000000 0.0283019), wk = 0.0025773 k( 5) = ( 0.0000000 0.0000000 0.0377358), wk = 0.0025773 k( 6) = ( 0.0000000 0.0000000 0.0471698), wk = 0.0025773 k( 7) = ( 0.0000000 0.0000000 0.0566038), wk = 0.0025773 k( 8) = ( 0.0000000 0.0000000 0.0660377), wk = 0.0025773 k( 9) = ( 0.0000000 0.0000000 0.0754717), wk = 0.0025773 k( 10) = ( 0.0000000 0.0000000 0.0849057), wk = 0.0025773 k( 11) = ( 0.0000000 0.0000000 0.0943396), wk = 0.0025773 k( 12) = ( 0.0000000 0.0000000 0.1037736), wk = 0.0025773 k( 13) = ( 0.0000000 0.0000000 0.1132076), wk = 0.0025773 k( 14) = ( 0.0000000 0.0000000 0.1226415), wk = 0.0025773 k( 15) = ( 0.0000000 0.0000000 0.1320755), wk = 0.0025773 k( 16) = ( 0.0000000 0.0000000 0.1415094), wk = 0.0025773 k( 17) = ( 0.0000000 0.0000000 0.1509434), wk = 0.0025773 k( 18) = ( 0.0000000 0.0000000 0.1603774), wk = 0.0025773 k( 19) = ( 0.0000000 0.0000000 0.1698113), wk = 0.0025773 k( 20) = ( 0.0000000 0.0000000 0.1792453), wk = 0.0025773 k( 21) = ( 0.0000000 0.0000000 0.1886792), wk = 0.0025773 k( 22) = ( 0.0000000 0.0000000 0.1981132), wk = 0.0025773 k( 23) = ( 0.0000000 0.0000000 0.2075472), wk = 0.0025773 k( 24) = ( 0.0000000 0.0000000 0.2169811), wk = 0.0025773 k( 25) = ( 0.0000000 0.0000000 0.2264151), wk = 0.0025773 k( 26) = ( 0.0000000 0.0000000 0.2358491), wk = 0.0025773 k( 27) = ( 0.0000000 0.0000000 0.2452830), wk = 0.0025773 k( 28) = ( 0.0000000 0.0000000 0.2547170), wk = 0.0025773 k( 29) = ( 0.0000000 0.0000000 0.2641509), wk = 0.0025773 k( 30) = ( 0.0000000 0.0000000 0.2735849), wk = 0.0025773 k( 31) = ( 0.0000000 0.0000000 0.2830189), wk = 0.0025773 k( 32) = ( 0.0000000 0.0000000 0.2924528), wk = 0.0025773 k( 33) = ( 0.0000000 0.0000000 0.3018868), wk = 0.0025773 k( 34) = ( 0.0000000 0.0000000 0.3113207), wk = 0.0025773 k( 35) = ( 0.0000000 0.0000000 0.3207547), wk = 0.0025773 k( 36) = ( 0.0000000 0.0000000 0.3301887), wk = 0.0025773 k( 37) = ( 0.0000000 0.0000000 0.3396226), wk = 0.0025773 k( 38) = ( 0.0000000 0.0000000 0.3490566), wk = 0.0025773 k( 39) = ( 0.0000000 0.0000000 0.3584906), wk = 0.0025773 k( 40) = ( 0.0000000 0.0000000 0.3679245), wk = 0.0025773 k( 41) = ( 0.0000000 0.0000000 0.3773585), wk = 0.0025773 k( 42) = ( 0.0000000 0.0000000 0.3867925), wk = 0.0025773 k( 43) = ( 0.0000000 0.0000000 0.3962264), wk = 0.0025773 k( 44) = ( 0.0000000 0.0000000 0.4056604), wk = 0.0025773 k( 45) = ( 0.0000000 0.0000000 0.4150943), wk = 0.0025773 k( 46) = ( 0.0000000 0.0000000 0.4245283), wk = 0.0025773 k( 47) = ( 0.0000000 0.0000000 0.4339623), wk = 0.0025773 k( 48) = ( 0.0000000 0.0000000 0.4433962), wk = 0.0025773 k( 49) = ( 0.0000000 0.0000000 0.4528302), wk = 0.0025773 k( 50) = ( 0.0000000 0.0000000 0.4622641), wk = 0.0025773 k( 51) = ( 0.0000000 0.0000000 0.4716981), wk = 0.0025773 k( 52) = ( 0.0000000 0.0000000 0.4811321), wk = 0.0025773 k( 53) = ( 0.0000000 0.0000000 0.4905660), wk = 0.0025773 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 56) = ( -0.0094388 0.0094388 0.5000000), wk = 0.0025773 k( 57) = ( -0.0188776 0.0188776 0.5000000), wk = 0.0025773 k( 58) = ( -0.0283164 0.0283164 0.5000000), wk = 0.0025773 k( 59) = ( -0.0377552 0.0377552 0.5000000), wk = 0.0025773 k( 60) = ( -0.0471940 0.0471940 0.5000000), wk = 0.0025773 k( 61) = ( -0.0566328 0.0566328 0.5000000), wk = 0.0025773 k( 62) = ( -0.0660716 0.0660716 0.5000000), wk = 0.0025773 k( 63) = ( -0.0755104 0.0755104 0.5000000), wk = 0.0025773 k( 64) = ( -0.0849492 0.0849492 0.5000000), wk = 0.0025773 k( 65) = ( -0.0943880 0.0943880 0.5000000), wk = 0.0025773 k( 66) = ( -0.1038268 0.1038268 0.5000000), wk = 0.0025773 k( 67) = ( -0.1132656 0.1132656 0.5000000), wk = 0.0025773 k( 68) = ( -0.1227044 0.1227044 0.5000000), wk = 0.0025773 k( 69) = ( -0.1321432 0.1321432 0.5000000), wk = 0.0025773 k( 70) = ( -0.1415820 0.1415820 0.5000000), wk = 0.0025773 k( 71) = ( -0.1510208 0.1510208 0.5000000), wk = 0.0025773 k( 72) = ( -0.1604597 0.1604597 0.5000000), wk = 0.0025773 k( 73) = ( -0.1698985 0.1698985 0.5000000), wk = 0.0025773 k( 74) = ( -0.1793373 0.1793373 0.5000000), wk = 0.0025773 k( 75) = ( -0.1887761 0.1887761 0.5000000), wk = 0.0025773 k( 76) = ( -0.1982149 0.1982149 0.5000000), wk = 0.0025773 k( 77) = ( -0.2076537 0.2076537 0.5000000), wk = 0.0025773 k( 78) = ( -0.2076537 0.2076537 0.5000000), wk = 0.0025773 k( 79) = ( -0.2142979 0.2142979 0.4933558), wk = 0.0025773 k( 80) = ( -0.2209421 0.2209421 0.4867115), wk = 0.0025773 k( 81) = ( -0.2275864 0.2275864 0.4800673), wk = 0.0025773 k( 82) = ( -0.2342306 0.2342306 0.4734231), wk = 0.0025773 k( 83) = ( -0.2408748 0.2408748 0.4667788), wk = 0.0025773 k( 84) = ( -0.2475191 0.2475191 0.4601346), wk = 0.0025773 k( 85) = ( -0.2541633 0.2541633 0.4534904), wk = 0.0025773 k( 86) = ( -0.2608075 0.2608075 0.4468461), wk = 0.0025773 k( 87) = ( -0.2674518 0.2674518 0.4402019), wk = 0.0025773 k( 88) = ( -0.2740960 0.2740960 0.4335577), wk = 0.0025773 k( 89) = ( -0.2807403 0.2807403 0.4269134), wk = 0.0025773 k( 90) = ( -0.2873845 0.2873845 0.4202692), wk = 0.0025773 k( 91) = ( -0.2940287 0.2940287 0.4136249), wk = 0.0025773 k( 92) = ( -0.3006729 0.3006730 0.4069807), wk = 0.0025773 k( 93) = ( -0.3073172 0.3073172 0.4003365), wk = 0.0025773 k( 94) = ( -0.3139614 0.3139614 0.3936922), wk = 0.0025773 k( 95) = ( -0.3206057 0.3206057 0.3870480), wk = 0.0025773 k( 96) = ( -0.3272499 0.3272499 0.3804038), wk = 0.0025773 k( 97) = ( -0.3338941 0.3338941 0.3737595), wk = 0.0025773 k( 98) = ( -0.3405384 0.3405384 0.3671153), wk = 0.0025773 k( 99) = ( -0.3471826 0.3471826 0.3604711), wk = 0.0025773 k( 100) = ( -0.3538268 0.3538268 0.3538268), wk = 0.0025773 k( 101) = ( -0.3538268 0.3538268 0.3538268), wk = 0.0025773 k( 102) = ( -0.3471509 0.3471509 0.3471509), wk = 0.0025773 k( 103) = ( -0.3404749 0.3404749 0.3404749), wk = 0.0025773 k( 104) = ( -0.3337989 0.3337989 0.3337989), wk = 0.0025773 k( 105) = ( -0.3271229 0.3271229 0.3271229), wk = 0.0025773 k( 106) = ( -0.3204469 0.3204469 0.3204469), wk = 0.0025773 k( 107) = ( -0.3137710 0.3137710 0.3137710), wk = 0.0025773 k( 108) = ( -0.3070950 0.3070950 0.3070950), wk = 0.0025773 k( 109) = ( -0.3004190 0.3004190 0.3004190), wk = 0.0025773 k( 110) = ( -0.2937430 0.2937430 0.2937430), wk = 0.0025773 k( 111) = ( -0.2870670 0.2870671 0.2870670), wk = 0.0025773 k( 112) = ( -0.2803911 0.2803911 0.2803911), wk = 0.0025773 k( 113) = ( -0.2737151 0.2737151 0.2737151), wk = 0.0025773 k( 114) = ( -0.2670391 0.2670391 0.2670391), wk = 0.0025773 k( 115) = ( -0.2603631 0.2603631 0.2603631), wk = 0.0025773 k( 116) = ( -0.2536872 0.2536872 0.2536872), wk = 0.0025773 k( 117) = ( -0.2470112 0.2470112 0.2470112), wk = 0.0025773 k( 118) = ( -0.2403352 0.2403352 0.2403352), wk = 0.0025773 k( 119) = ( -0.2336592 0.2336592 0.2336592), wk = 0.0025773 k( 120) = ( -0.2269832 0.2269833 0.2269832), wk = 0.0025773 k( 121) = ( -0.2203073 0.2203073 0.2203073), wk = 0.0025773 k( 122) = ( -0.2136313 0.2136313 0.2136313), wk = 0.0025773 k( 123) = ( -0.2069553 0.2069553 0.2069553), wk = 0.0025773 k( 124) = ( -0.2002793 0.2002793 0.2002793), wk = 0.0025773 k( 125) = ( -0.1936034 0.1936034 0.1936034), wk = 0.0025773 k( 126) = ( -0.1869274 0.1869274 0.1869274), wk = 0.0025773 k( 127) = ( -0.1802514 0.1802514 0.1802514), wk = 0.0025773 k( 128) = ( -0.1735754 0.1735754 0.1735754), wk = 0.0025773 k( 129) = ( -0.1668995 0.1668995 0.1668995), wk = 0.0025773 k( 130) = ( -0.1602235 0.1602235 0.1602235), wk = 0.0025773 k( 131) = ( -0.1535475 0.1535475 0.1535475), wk = 0.0025773 k( 132) = ( -0.1468715 0.1468715 0.1468715), wk = 0.0025773 k( 133) = ( -0.1401955 0.1401955 0.1401955), wk = 0.0025773 k( 134) = ( -0.1335196 0.1335196 0.1335196), wk = 0.0025773 k( 135) = ( -0.1268436 0.1268436 0.1268436), wk = 0.0025773 k( 136) = ( -0.1201676 0.1201676 0.1201676), wk = 0.0025773 k( 137) = ( -0.1134916 0.1134916 0.1134916), wk = 0.0025773 k( 138) = ( -0.1068156 0.1068157 0.1068156), wk = 0.0025773 k( 139) = ( -0.1001397 0.1001397 0.1001397), wk = 0.0025773 k( 140) = ( -0.0934637 0.0934637 0.0934637), wk = 0.0025773 k( 141) = ( -0.0867877 0.0867877 0.0867877), wk = 0.0025773 k( 142) = ( -0.0801117 0.0801117 0.0801117), wk = 0.0025773 k( 143) = ( -0.0734358 0.0734358 0.0734358), wk = 0.0025773 k( 144) = ( -0.0667598 0.0667598 0.0667598), wk = 0.0025773 k( 145) = ( -0.0600838 0.0600838 0.0600838), wk = 0.0025773 k( 146) = ( -0.0534078 0.0534078 0.0534078), wk = 0.0025773 k( 147) = ( -0.0467318 0.0467318 0.0467318), wk = 0.0025773 k( 148) = ( -0.0400559 0.0400559 0.0400559), wk = 0.0025773 k( 149) = ( -0.0333799 0.0333799 0.0333799), wk = 0.0025773 k( 150) = ( -0.0267039 0.0267039 0.0267039), wk = 0.0025773 k( 151) = ( -0.0200279 0.0200279 0.0200279), wk = 0.0025773 k( 152) = ( -0.0133520 0.0133520 0.0133520), wk = 0.0025773 k( 153) = ( -0.0066760 0.0066760 0.0066760), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 156) = ( 0.0102041 0.0102041 -0.0102041), wk = 0.0025773 k( 157) = ( 0.0204082 0.0204082 -0.0204082), wk = 0.0025773 k( 158) = ( 0.0306122 0.0306122 -0.0306122), wk = 0.0025773 k( 159) = ( 0.0408163 0.0408163 -0.0408163), wk = 0.0025773 k( 160) = ( 0.0510204 0.0510204 -0.0510204), wk = 0.0025773 k( 161) = ( 0.0612245 0.0612245 -0.0612245), wk = 0.0025773 k( 162) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0025773 k( 163) = ( 0.0816327 0.0816327 -0.0816326), wk = 0.0025773 k( 164) = ( 0.0918367 0.0918367 -0.0918367), wk = 0.0025773 k( 165) = ( 0.1020408 0.1020408 -0.1020408), wk = 0.0025773 k( 166) = ( 0.1122449 0.1122449 -0.1122449), wk = 0.0025773 k( 167) = ( 0.1224490 0.1224490 -0.1224490), wk = 0.0025773 k( 168) = ( 0.1326531 0.1326531 -0.1326531), wk = 0.0025773 k( 169) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0025773 k( 170) = ( 0.1530612 0.1530612 -0.1530612), wk = 0.0025773 k( 171) = ( 0.1632653 0.1632653 -0.1632653), wk = 0.0025773 k( 172) = ( 0.1734694 0.1734694 -0.1734694), wk = 0.0025773 k( 173) = ( 0.1836735 0.1836735 -0.1836735), wk = 0.0025773 k( 174) = ( 0.1938776 0.1938776 -0.1938776), wk = 0.0025773 k( 175) = ( 0.2040816 0.2040816 -0.2040816), wk = 0.0025773 k( 176) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0025773 k( 177) = ( 0.2244898 0.2244898 -0.2244898), wk = 0.0025773 k( 178) = ( 0.2346939 0.2346939 -0.2346939), wk = 0.0025773 k( 179) = ( 0.2448980 0.2448980 -0.2448980), wk = 0.0025773 k( 180) = ( 0.2551020 0.2551020 -0.2551020), wk = 0.0025773 k( 181) = ( 0.2653061 0.2653061 -0.2653061), wk = 0.0025773 k( 182) = ( 0.2755102 0.2755102 -0.2755102), wk = 0.0025773 k( 183) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0025773 k( 184) = ( 0.2959184 0.2959184 -0.2959184), wk = 0.0025773 k( 185) = ( 0.3061224 0.3061224 -0.3061225), wk = 0.0025773 k( 186) = ( 0.3163265 0.3163265 -0.3163265), wk = 0.0025773 k( 187) = ( 0.3265306 0.3265306 -0.3265306), wk = 0.0025773 k( 188) = ( 0.3367347 0.3367347 -0.3367347), wk = 0.0025773 k( 189) = ( 0.3469388 0.3469388 -0.3469388), wk = 0.0025773 k( 190) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0025773 k( 191) = ( 0.3673469 0.3673469 -0.3673469), wk = 0.0025773 k( 192) = ( 0.3775510 0.3775510 -0.3775510), wk = 0.0025773 k( 193) = ( 0.3877551 0.3877551 -0.3877551), wk = 0.0025773 k( 194) = ( 0.3979592 0.3979592 -0.3979592), wk = 0.0025773 k( 195) = ( 0.4081633 0.4081633 -0.4081633), wk = 0.0025773 k( 196) = ( 0.4183674 0.4183674 -0.4183673), wk = 0.0025773 k( 197) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0025773 k( 198) = ( 0.4387755 0.4387755 -0.4387755), wk = 0.0025773 k( 199) = ( 0.4489796 0.4489796 -0.4489796), wk = 0.0025773 k( 200) = ( 0.4591837 0.4591837 -0.4591837), wk = 0.0025773 k( 201) = ( 0.4693878 0.4693878 -0.4693878), wk = 0.0025773 k( 202) = ( 0.4795918 0.4795918 -0.4795918), wk = 0.0025773 k( 203) = ( 0.4897959 0.4897959 -0.4897959), wk = 0.0025773 k( 204) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025773 k( 205) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025773 k( 206) = ( 0.4933558 0.5066442 -0.4933558), wk = 0.0025773 k( 207) = ( 0.4867115 0.5132885 -0.4867115), wk = 0.0025773 k( 208) = ( 0.4800673 0.5199327 -0.4800673), wk = 0.0025773 k( 209) = ( 0.4734231 0.5265769 -0.4734231), wk = 0.0025773 k( 210) = ( 0.4667788 0.5332212 -0.4667788), wk = 0.0025773 k( 211) = ( 0.4601346 0.5398654 -0.4601346), wk = 0.0025773 k( 212) = ( 0.4534904 0.5465096 -0.4534904), wk = 0.0025773 k( 213) = ( 0.4468461 0.5531539 -0.4468461), wk = 0.0025773 k( 214) = ( 0.4402019 0.5597981 -0.4402019), wk = 0.0025773 k( 215) = ( 0.4335577 0.5664423 -0.4335577), wk = 0.0025773 k( 216) = ( 0.4269134 0.5730866 -0.4269134), wk = 0.0025773 k( 217) = ( 0.4202692 0.5797308 -0.4202692), wk = 0.0025773 k( 218) = ( 0.4136249 0.5863751 -0.4136249), wk = 0.0025773 k( 219) = ( 0.4069807 0.5930193 -0.4069807), wk = 0.0025773 k( 220) = ( 0.4003365 0.5996635 -0.4003365), wk = 0.0025773 k( 221) = ( 0.3936922 0.6063078 -0.3936922), wk = 0.0025773 k( 222) = ( 0.3870480 0.6129520 -0.3870480), wk = 0.0025773 k( 223) = ( 0.3804038 0.6195962 -0.3804038), wk = 0.0025773 k( 224) = ( 0.3737595 0.6262405 -0.3737595), wk = 0.0025773 k( 225) = ( 0.3671153 0.6328847 -0.3671153), wk = 0.0025773 k( 226) = ( 0.3604711 0.6395289 -0.3604711), wk = 0.0025773 k( 227) = ( 0.3538268 0.6461732 -0.3538268), wk = 0.0025773 k( 228) = ( 0.3538268 0.6461732 -0.3538268), wk = 0.0025773 k( 229) = ( 0.3416259 0.6411327 -0.3416259), wk = 0.0025773 k( 230) = ( 0.3294250 0.6360923 -0.3294250), wk = 0.0025773 k( 231) = ( 0.3172241 0.6310518 -0.3172241), wk = 0.0025773 k( 232) = ( 0.3050231 0.6260113 -0.3050231), wk = 0.0025773 k( 233) = ( 0.2928222 0.6209709 -0.2928222), wk = 0.0025773 k( 234) = ( 0.2806213 0.6159304 -0.2806213), wk = 0.0025773 k( 235) = ( 0.2684203 0.6108900 -0.2684203), wk = 0.0025773 k( 236) = ( 0.2562194 0.6058495 -0.2562194), wk = 0.0025773 k( 237) = ( 0.2440185 0.6008091 -0.2440185), wk = 0.0025773 k( 238) = ( 0.2318176 0.5957686 -0.2318176), wk = 0.0025773 k( 239) = ( 0.2196166 0.5907282 -0.2196167), wk = 0.0025773 k( 240) = ( 0.2074157 0.5856877 -0.2074157), wk = 0.0025773 k( 241) = ( 0.1952148 0.5806473 -0.1952148), wk = 0.0025773 k( 242) = ( 0.1830139 0.5756068 -0.1830139), wk = 0.0025773 k( 243) = ( 0.1708129 0.5705664 -0.1708130), wk = 0.0025773 k( 244) = ( 0.1586120 0.5655259 -0.1586120), wk = 0.0025773 k( 245) = ( 0.1464111 0.5604855 -0.1464111), wk = 0.0025773 k( 246) = ( 0.1342102 0.5554450 -0.1342102), wk = 0.0025773 k( 247) = ( 0.1220092 0.5504045 -0.1220092), wk = 0.0025773 k( 248) = ( 0.1098083 0.5453641 -0.1098083), wk = 0.0025773 k( 249) = ( 0.0976074 0.5403236 -0.0976074), wk = 0.0025773 k( 250) = ( 0.0854065 0.5352832 -0.0854065), wk = 0.0025773 k( 251) = ( 0.0732055 0.5302427 -0.0732056), wk = 0.0025773 k( 252) = ( 0.0610046 0.5252023 -0.0610046), wk = 0.0025773 k( 253) = ( 0.0488037 0.5201618 -0.0488037), wk = 0.0025773 k( 254) = ( 0.0366028 0.5151214 -0.0366028), wk = 0.0025773 k( 255) = ( 0.0244018 0.5100809 -0.0244019), wk = 0.0025773 k( 256) = ( 0.0122009 0.5050404 -0.0122009), wk = 0.0025773 k( 257) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025773 k( 258) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025773 k( 259) = ( 0.0065790 0.4934211 0.0065789), wk = 0.0025773 k( 260) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0025773 k( 261) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0025773 k( 262) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0025773 k( 263) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0025773 k( 264) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0025773 k( 265) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0025773 k( 266) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0025773 k( 267) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0025773 k( 268) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0025773 k( 269) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0025773 k( 270) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0025773 k( 271) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0025773 k( 272) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0025773 k( 273) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0025773 k( 274) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0025773 k( 275) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0025773 k( 276) = ( 0.1184210 0.3815790 0.1184211), wk = 0.0025773 k( 277) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0025773 k( 278) = ( 0.1315790 0.3684211 0.1315789), wk = 0.0025773 k( 279) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0025773 k( 280) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0025773 k( 281) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0025773 k( 282) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0025773 k( 283) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0025773 k( 284) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0025773 k( 285) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0025773 k( 286) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0025773 k( 287) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0025773 k( 288) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0025773 k( 289) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0025773 k( 290) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0025773 k( 291) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0025773 k( 292) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0025773 k( 293) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0025773 k( 294) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0025773 k( 295) = ( 0.2434210 0.2565789 0.2434210), wk = 0.0025773 k( 296) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025773 k( 297) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025773 k( 298) = ( 0.2575758 0.2575758 0.2361317), wk = 0.0025773 k( 299) = ( 0.2651515 0.2651515 0.2222634), wk = 0.0025773 k( 300) = ( 0.2727273 0.2727273 0.2083951), wk = 0.0025773 k( 301) = ( 0.2803030 0.2803030 0.1945268), wk = 0.0025773 k( 302) = ( 0.2878788 0.2878788 0.1806585), wk = 0.0025773 k( 303) = ( 0.2954545 0.2954546 0.1667902), wk = 0.0025773 k( 304) = ( 0.3030303 0.3030303 0.1529219), wk = 0.0025773 k( 305) = ( 0.3106061 0.3106061 0.1390537), wk = 0.0025773 k( 306) = ( 0.3181818 0.3181818 0.1251854), wk = 0.0025773 k( 307) = ( 0.3257576 0.3257576 0.1113171), wk = 0.0025773 k( 308) = ( 0.3333333 0.3333333 0.0974488), wk = 0.0025773 k( 309) = ( 0.3409091 0.3409091 0.0835805), wk = 0.0025773 k( 310) = ( 0.3484849 0.3484849 0.0697122), wk = 0.0025773 k( 311) = ( 0.3560606 0.3560606 0.0558439), wk = 0.0025773 k( 312) = ( 0.3636364 0.3636364 0.0419756), wk = 0.0025773 k( 313) = ( 0.3712121 0.3712121 0.0281073), wk = 0.0025773 k( 314) = ( 0.3787879 0.3787879 0.0142390), wk = 0.0025773 k( 315) = ( 0.3863636 0.3863636 0.0003707), wk = 0.0025773 k( 316) = ( 0.3939394 0.3939394 -0.0134976), wk = 0.0025773 k( 317) = ( 0.4015151 0.4015152 -0.0273659), wk = 0.0025773 k( 318) = ( 0.4090909 0.4090909 -0.0412342), wk = 0.0025773 k( 319) = ( 0.4166667 0.4166667 -0.0551024), wk = 0.0025773 k( 320) = ( 0.4242424 0.4242424 -0.0689707), wk = 0.0025773 k( 321) = ( 0.4318182 0.4318182 -0.0828390), wk = 0.0025773 k( 322) = ( 0.4393939 0.4393939 -0.0967073), wk = 0.0025773 k( 323) = ( 0.4469697 0.4469697 -0.1105756), wk = 0.0025773 k( 324) = ( 0.4545455 0.4545455 -0.1244439), wk = 0.0025773 k( 325) = ( 0.4621212 0.4621212 -0.1383122), wk = 0.0025773 k( 326) = ( 0.4696970 0.4696970 -0.1521805), wk = 0.0025773 k( 327) = ( 0.4772727 0.4772727 -0.1660488), wk = 0.0025773 k( 328) = ( 0.4848485 0.4848485 -0.1799171), wk = 0.0025773 k( 329) = ( 0.4924242 0.4924242 -0.1937854), wk = 0.0025773 k( 330) = ( 0.5000000 0.5000000 -0.2076537), wk = 0.0025773 k( 331) = ( 0.5000000 0.5000000 -0.2076537), wk = 0.0025773 k( 332) = ( 0.5000000 0.5000000 -0.2170842), wk = 0.0025773 k( 333) = ( 0.5000000 0.5000000 -0.2265147), wk = 0.0025773 k( 334) = ( 0.5000000 0.5000000 -0.2359452), wk = 0.0025773 k( 335) = ( 0.5000000 0.5000000 -0.2453758), wk = 0.0025773 k( 336) = ( 0.5000000 0.5000000 -0.2548063), wk = 0.0025773 k( 337) = ( 0.5000000 0.5000000 -0.2642368), wk = 0.0025773 k( 338) = ( 0.5000000 0.5000000 -0.2736674), wk = 0.0025773 k( 339) = ( 0.5000000 0.5000000 -0.2830979), wk = 0.0025773 k( 340) = ( 0.5000000 0.5000000 -0.2925284), wk = 0.0025773 k( 341) = ( 0.5000000 0.5000000 -0.3019589), wk = 0.0025773 k( 342) = ( 0.5000000 0.5000000 -0.3113895), wk = 0.0025773 k( 343) = ( 0.5000000 0.5000000 -0.3208200), wk = 0.0025773 k( 344) = ( 0.5000000 0.5000000 -0.3302505), wk = 0.0025773 k( 345) = ( 0.5000000 0.5000000 -0.3396810), wk = 0.0025773 k( 346) = ( 0.5000000 0.5000000 -0.3491116), wk = 0.0025773 k( 347) = ( 0.5000000 0.5000000 -0.3585421), wk = 0.0025773 k( 348) = ( 0.5000000 0.5000000 -0.3679726), wk = 0.0025773 k( 349) = ( 0.5000000 0.5000000 -0.3774032), wk = 0.0025773 k( 350) = ( 0.5000000 0.5000000 -0.3868337), wk = 0.0025773 k( 351) = ( 0.5000000 0.5000000 -0.3962642), wk = 0.0025773 k( 352) = ( 0.5000000 0.5000000 -0.4056947), wk = 0.0025773 k( 353) = ( 0.5000000 0.5000000 -0.4151253), wk = 0.0025773 k( 354) = ( 0.5000000 0.5000000 -0.4245558), wk = 0.0025773 k( 355) = ( 0.5000000 0.5000000 -0.4339863), wk = 0.0025773 k( 356) = ( 0.5000000 0.5000000 -0.4434168), wk = 0.0025773 k( 357) = ( 0.5000000 0.5000000 -0.4528474), wk = 0.0025773 k( 358) = ( 0.5000000 0.5000000 -0.4622779), wk = 0.0025773 k( 359) = ( 0.5000000 0.5000000 -0.4717084), wk = 0.0025773 k( 360) = ( 0.5000000 0.5000000 -0.4811390), wk = 0.0025773 k( 361) = ( 0.5000000 0.5000000 -0.4905695), wk = 0.0025773 k( 362) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0025773 k( 363) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 364) = ( 0.0100000 0.0100000 0.4900000), wk = 0.0025773 k( 365) = ( 0.0200000 0.0200000 0.4800000), wk = 0.0025773 k( 366) = ( 0.0300000 0.0300000 0.4700000), wk = 0.0025773 k( 367) = ( 0.0400000 0.0400000 0.4600000), wk = 0.0025773 k( 368) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0025773 k( 369) = ( 0.0600000 0.0600000 0.4400000), wk = 0.0025773 k( 370) = ( 0.0700000 0.0700000 0.4300000), wk = 0.0025773 k( 371) = ( 0.0800000 0.0800000 0.4200000), wk = 0.0025773 k( 372) = ( 0.0900000 0.0900000 0.4100000), wk = 0.0025773 k( 373) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0025773 k( 374) = ( 0.1100000 0.1100000 0.3900000), wk = 0.0025773 k( 375) = ( 0.1200000 0.1200000 0.3800000), wk = 0.0025773 k( 376) = ( 0.1300000 0.1300000 0.3700000), wk = 0.0025773 k( 377) = ( 0.1400000 0.1400000 0.3600000), wk = 0.0025773 k( 378) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0025773 k( 379) = ( 0.1600000 0.1600000 0.3400000), wk = 0.0025773 k( 380) = ( 0.1700000 0.1700000 0.3300000), wk = 0.0025773 k( 381) = ( 0.1800000 0.1800000 0.3200000), wk = 0.0025773 k( 382) = ( 0.1900000 0.1900000 0.3100000), wk = 0.0025773 k( 383) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0025773 k( 384) = ( 0.2100000 0.2100000 0.2900000), wk = 0.0025773 k( 385) = ( 0.2200000 0.2200000 0.2800000), wk = 0.0025773 k( 386) = ( 0.2300000 0.2300000 0.2700000), wk = 0.0025773 k( 387) = ( 0.2400000 0.2400000 0.2600000), wk = 0.0025773 k( 388) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025773 Dense grid: 54423 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 290, 44) NL pseudopotentials 0.25 Mb ( 145, 112) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1134) G-vector shells 0.00 Mb ( 516) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 290, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.15 Mb ( 112, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiBO2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.4 secs Computing kpt #: 2 total cpu time spent up to now is 43.8 secs Computing kpt #: 3 total cpu time spent up to now is 46.4 secs Computing kpt #: 4 total cpu time spent up to now is 48.8 secs Computing kpt #: 5 total cpu time spent up to now is 51.5 secs Computing kpt #: 6 total cpu time spent up to now is 54.1 secs Computing kpt #: 7 total cpu time spent up to now is 56.9 secs Computing kpt #: 8 total cpu time spent up to now is 59.5 secs Computing kpt #: 9 total cpu time spent up to now is 62.1 secs Computing kpt #: 10 total cpu time spent up to now is 64.8 secs Computing kpt #: 11 total cpu time spent up to now is 67.5 secs Computing kpt #: 12 total cpu time spent up to now is 70.4 secs Computing kpt #: 13 total cpu time spent up to now is 73.3 secs Computing kpt #: 14 total cpu time spent up to now is 75.9 secs Computing kpt #: 15 total cpu time spent up to now is 78.8 secs Computing kpt #: 16 total cpu time spent up to now is 81.5 secs Computing kpt #: 17 total cpu time spent up to now is 84.2 secs Computing kpt #: 18 total cpu time spent up to now is 87.0 secs Computing kpt #: 19 total cpu time spent up to now is 89.7 secs Computing kpt #: 20 total cpu time spent up to now is 92.7 secs Computing kpt #: 21 total cpu time spent up to now is 95.7 secs Computing kpt #: 22 total cpu time spent up to now is 98.9 secs Computing kpt #: 23 total cpu time spent up to now is 102.2 secs Computing kpt #: 24 total cpu time spent up to now is 105.0 secs Computing kpt #: 25 total cpu time spent up to now is 107.8 secs Computing kpt #: 26 total cpu time spent up to now is 110.2 secs Computing kpt #: 27 total cpu time spent up to now is 113.0 secs Computing kpt #: 28 total cpu time spent up to now is 115.7 secs Computing kpt #: 29 total cpu time spent up to now is 118.3 secs Computing kpt #: 30 total cpu time spent up to now is 120.8 secs Computing kpt #: 31 total cpu time spent up to now is 123.3 secs Computing kpt #: 32 total cpu time spent up to now is 125.8 secs Computing kpt #: 33 total cpu time spent up to now is 128.3 secs Computing kpt #: 34 total cpu time spent up to now is 130.8 secs Computing kpt #: 35 total cpu time spent up to now is 133.3 secs Computing kpt #: 36 total cpu time spent up to now is 135.8 secs Computing kpt #: 37 total cpu time spent up to now is 138.3 secs Computing kpt #: 38 total cpu time spent up to now is 140.9 secs Computing kpt #: 39 total cpu time spent up to now is 143.4 secs Computing kpt #: 40 total cpu time spent up to now is 145.7 secs Computing kpt #: 41 total cpu time spent up to now is 148.1 secs Computing kpt #: 42 total cpu time spent up to now is 150.7 secs Computing kpt #: 43 total cpu time spent up to now is 153.2 secs Computing kpt #: 44 total cpu time spent up to now is 155.7 secs Computing kpt #: 45 total cpu time spent up to now is 158.0 secs Computing kpt #: 46 total cpu time spent up to now is 160.4 secs Computing kpt #: 47 total cpu time spent up to now is 162.7 secs Computing kpt #: 48 total cpu time spent up to now is 165.2 secs Computing kpt #: 49 total cpu time spent up to now is 167.8 secs Computing kpt #: 50 total cpu time spent up to now is 170.4 secs Computing kpt #: 51 total cpu time spent up to now is 172.8 secs Computing kpt #: 52 total cpu time spent up to now is 175.2 secs Computing kpt #: 53 total cpu time spent up to now is 177.7 secs Computing kpt #: 54 total cpu time spent up to now is 180.1 secs Computing kpt #: 55 total cpu time spent up to now is 182.5 secs Computing kpt #: 56 total cpu time spent up to now is 184.9 secs Computing kpt #: 57 total cpu time spent up to now is 187.3 secs Computing kpt #: 58 total cpu time spent up to now is 189.7 secs Computing kpt #: 59 total cpu time spent up to now is 192.1 secs Computing kpt #: 60 total cpu time spent up to now is 194.6 secs Computing kpt #: 61 total cpu time spent up to now is 197.2 secs Computing kpt #: 62 total cpu time spent up to now is 199.6 secs Computing kpt #: 63 total cpu time spent up to now is 202.2 secs Computing kpt #: 64 total cpu time spent up to now is 204.6 secs Computing kpt #: 65 total cpu time spent up to now is 207.0 secs Computing kpt #: 66 total cpu time spent up to now is 209.4 secs Computing kpt #: 67 total cpu time spent up to now is 211.8 secs Computing kpt #: 68 total cpu time spent up to now is 214.2 secs Computing kpt #: 69 total cpu time spent up to now is 216.6 secs Computing kpt #: 70 total cpu time spent up to now is 219.1 secs Computing kpt #: 71 total cpu time spent up to now is 221.5 secs Computing kpt #: 72 total cpu time spent up to now is 224.0 secs Computing kpt #: 73 total cpu time spent up to now is 226.4 secs Computing kpt #: 74 total cpu time spent up to now is 228.8 secs Computing kpt #: 75 total cpu time spent up to now is 231.4 secs Computing kpt #: 76 total cpu time spent up to now is 233.8 secs Computing kpt #: 77 total cpu time spent up to now is 236.1 secs Computing kpt #: 78 total cpu time spent up to now is 238.5 secs Computing kpt #: 79 total cpu time spent up to now is 240.8 secs Computing kpt #: 80 total cpu time spent up to now is 243.2 secs Computing kpt #: 81 total cpu time spent up to now is 245.5 secs Computing kpt #: 82 total cpu time spent up to now is 247.8 secs Computing kpt #: 83 total cpu time spent up to now is 250.3 secs Computing kpt #: 84 total cpu time spent up to now is 252.6 secs Computing kpt #: 85 total cpu time spent up to now is 254.9 secs Computing kpt #: 86 total cpu time spent up to now is 257.3 secs Computing kpt #: 87 total cpu time spent up to now is 259.5 secs Computing kpt #: 88 total cpu time spent up to now is 261.9 secs Computing kpt #: 89 total cpu time spent up to now is 264.2 secs Computing kpt #: 90 total cpu time spent up to now is 266.4 secs Computing kpt #: 91 total cpu time spent up to now is 268.6 secs Computing kpt #: 92 total cpu time spent up to now is 271.0 secs Computing kpt #: 93 total cpu time spent up to now is 273.2 secs Computing kpt #: 94 total cpu time spent up to now is 275.3 secs Computing kpt #: 95 total cpu time spent up to now is 277.4 secs Computing kpt #: 96 total cpu time spent up to now is 279.6 secs Computing kpt #: 97 total cpu time spent up to now is 281.8 secs Computing kpt #: 98 total cpu time spent up to now is 283.9 secs Computing kpt #: 99 total cpu time spent up to now is 286.0 secs Computing kpt #: 100 total cpu time spent up to now is 288.2 secs Computing kpt #: 101 total cpu time spent up to now is 290.5 secs Computing kpt #: 102 total cpu time spent up to now is 292.8 secs Computing kpt #: 103 total cpu time spent up to now is 295.0 secs Computing kpt #: 104 total cpu time spent up to now is 297.3 secs Computing kpt #: 105 total cpu time spent up to now is 299.6 secs Computing kpt #: 106 total cpu time spent up to now is 301.9 secs Computing kpt #: 107 total cpu time spent up to now is 305.3 secs Computing kpt #: 108 total cpu time spent up to now is 309.3 secs Computing kpt #: 109 total cpu time spent up to now is 311.9 secs Computing kpt #: 110 total cpu time spent up to now is 314.4 secs Computing kpt #: 111 total cpu time spent up to now is 316.9 secs Computing kpt #: 112 total cpu time spent up to now is 319.6 secs Computing kpt #: 113 total cpu time spent up to now is 322.3 secs Computing kpt #: 114 total cpu time spent up to now is 325.0 secs Computing kpt #: 115 total cpu time spent up to now is 327.9 secs Computing kpt #: 116 total cpu time spent up to now is 330.9 secs Computing kpt #: 117 total cpu time spent up to now is 333.3 secs Computing kpt #: 118 total cpu time spent up to now is 336.1 secs Computing kpt #: 119 total cpu time spent up to now is 339.0 secs Computing kpt #: 120 total cpu time spent up to now is 342.2 secs Computing kpt #: 121 total cpu time spent up to now is 345.5 secs Computing kpt #: 122 total cpu time spent up to now is 348.9 secs Computing kpt #: 123 total cpu time spent up to now is 352.0 secs Computing kpt #: 124 total cpu time spent up to now is 354.9 secs Computing kpt #: 125 total cpu time spent up to now is 358.0 secs Computing kpt #: 126 total cpu time spent up to now is 361.0 secs Computing kpt #: 127 total cpu time spent up to now is 363.9 secs Computing kpt #: 128 total cpu time spent up to now is 366.7 secs Computing kpt #: 129 total cpu time spent up to now is 369.5 secs Computing kpt #: 130 total cpu time spent up to now is 372.2 secs Computing kpt #: 131 total cpu time spent up to now is 374.9 secs Computing kpt #: 132 total cpu time spent up to now is 377.7 secs Computing kpt #: 133 total cpu time spent up to now is 380.4 secs Computing kpt #: 134 total cpu time spent up to now is 383.0 secs Computing kpt #: 135 total cpu time spent up to now is 385.7 secs Computing kpt #: 136 total cpu time spent up to now is 388.3 secs Computing kpt #: 137 total cpu time spent up to now is 391.0 secs Computing kpt #: 138 total cpu time spent up to now is 393.6 secs Computing kpt #: 139 total cpu time spent up to now is 396.2 secs Computing kpt #: 140 total cpu time spent up to now is 398.9 secs Computing kpt #: 141 total cpu time spent up to now is 401.5 secs Computing kpt #: 142 total cpu time spent up to now is 404.3 secs Computing kpt #: 143 total cpu time spent up to now is 406.9 secs Computing kpt #: 144 total cpu time spent up to now is 409.5 secs Computing kpt #: 145 total cpu time spent up to now is 412.3 secs Computing kpt #: 146 total cpu time spent up to now is 414.9 secs Computing kpt #: 147 total cpu time spent up to now is 417.6 secs Computing kpt #: 148 total cpu time spent up to now is 420.2 secs Computing kpt #: 149 total cpu time spent up to now is 422.9 secs Computing kpt #: 150 total cpu time spent up to now is 425.5 secs Computing kpt #: 151 total cpu time spent up to now is 427.8 secs Computing kpt #: 152 total cpu time spent up to now is 430.4 secs Computing kpt #: 153 total cpu time spent up to now is 433.0 secs Computing kpt #: 154 total cpu time spent up to now is 435.4 secs Computing kpt #: 155 total cpu time spent up to now is 437.7 secs Computing kpt #: 156 total cpu time spent up to now is 440.1 secs Computing kpt #: 157 total cpu time spent up to now is 442.4 secs Computing kpt #: 158 total cpu time spent up to now is 444.8 secs Computing kpt #: 159 total cpu time spent up to now is 447.1 secs Computing kpt #: 160 total cpu time spent up to now is 449.4 secs Computing kpt #: 161 total cpu time spent up to now is 451.6 secs Computing kpt #: 162 total cpu time spent up to now is 454.3 secs Computing kpt #: 163 total cpu time spent up to now is 456.5 secs Computing kpt #: 164 total cpu time spent up to now is 458.8 secs Computing kpt #: 165 total cpu time spent up to now is 461.1 secs Computing kpt #: 166 total cpu time spent up to now is 463.2 secs Computing kpt #: 167 total cpu time spent up to now is 465.7 secs Computing kpt #: 168 total cpu time spent up to now is 468.2 secs Computing kpt #: 169 total cpu time spent up to now is 470.4 secs Computing kpt #: 170 total cpu time spent up to now is 472.6 secs Computing kpt #: 171 total cpu time spent up to now is 474.8 secs Computing kpt #: 172 total cpu time spent up to now is 477.3 secs Computing kpt #: 173 total cpu time spent up to now is 479.4 secs Computing kpt #: 174 total cpu time spent up to now is 481.4 secs Computing kpt #: 175 total cpu time spent up to now is 483.6 secs Computing kpt #: 176 total cpu time spent up to now is 486.6 secs Computing kpt #: 177 total cpu time spent up to now is 488.7 secs Computing kpt #: 178 total cpu time spent up to now is 492.1 secs Computing kpt #: 179 total cpu time spent up to now is 494.0 secs Computing kpt #: 180 total cpu time spent up to now is 496.0 secs Computing kpt #: 181 total cpu time spent up to now is 497.9 secs Computing kpt #: 182 total cpu time spent up to now is 500.2 secs Computing kpt #: 183 total cpu time spent up to now is 502.0 secs Computing kpt #: 184 total cpu time spent up to now is 504.1 secs Computing kpt #: 185 total cpu time spent up to now is 506.0 secs Computing kpt #: 186 total cpu time spent up to now is 508.4 secs Computing kpt #: 187 total cpu time spent up to now is 510.1 secs Computing kpt #: 188 total cpu time spent up to now is 511.8 secs Computing kpt #: 189 total cpu time spent up to now is 513.5 secs Computing kpt #: 190 total cpu time spent up to now is 515.2 secs Computing kpt #: 191 total cpu time spent up to now is 517.0 secs Computing kpt #: 192 total cpu time spent up to now is 518.8 secs Computing kpt #: 193 total cpu time spent up to now is 520.5 secs Computing kpt #: 194 total cpu time spent up to now is 522.2 secs Computing kpt #: 195 total cpu time spent up to now is 524.2 secs Computing kpt #: 196 total cpu time spent up to now is 526.2 secs Computing kpt #: 197 total cpu time spent up to now is 528.0 secs Computing kpt #: 198 total cpu time spent up to now is 529.6 secs Computing kpt #: 199 total cpu time spent up to now is 531.3 secs Computing kpt #: 200 total cpu time spent up to now is 533.1 secs Computing kpt #: 201 total cpu time spent up to now is 534.8 secs Computing kpt #: 202 total cpu time spent up to now is 536.9 secs Computing kpt #: 203 total cpu time spent up to now is 538.6 secs Computing kpt #: 204 total cpu time spent up to now is 540.3 secs Computing kpt #: 205 total cpu time spent up to now is 542.3 secs Computing kpt #: 206 total cpu time spent up to now is 544.7 secs Computing kpt #: 207 total cpu time spent up to now is 546.9 secs Computing kpt #: 208 total cpu time spent up to now is 548.6 secs Computing kpt #: 209 total cpu time spent up to now is 550.2 secs Computing kpt #: 210 total cpu time spent up to now is 551.9 secs Computing kpt #: 211 total cpu time spent up to now is 553.9 secs Computing kpt #: 212 total cpu time spent up to now is 555.8 secs Computing kpt #: 213 total cpu time spent up to now is 557.8 secs Computing kpt #: 214 total cpu time spent up to now is 560.0 secs Computing kpt #: 215 total cpu time spent up to now is 562.0 secs Computing kpt #: 216 total cpu time spent up to now is 564.1 secs Computing kpt #: 217 total cpu time spent up to now is 566.0 secs Computing kpt #: 218 total cpu time spent up to now is 568.1 secs Computing kpt #: 219 total cpu time spent up to now is 570.1 secs Computing kpt #: 220 total cpu time spent up to now is 572.0 secs Computing kpt #: 221 total cpu time spent up to now is 573.8 secs Computing kpt #: 222 total cpu time spent up to now is 576.2 secs Computing kpt #: 223 total cpu time spent up to now is 578.2 secs Computing kpt #: 224 total cpu time spent up to now is 580.2 secs Computing kpt #: 225 total cpu time spent up to now is 582.5 secs Computing kpt #: 226 total cpu time spent up to now is 584.6 secs Computing kpt #: 227 total cpu time spent up to now is 586.7 secs Computing kpt #: 228 total cpu time spent up to now is 590.0 secs Computing kpt #: 229 total cpu time spent up to now is 592.2 secs Computing kpt #: 230 total cpu time spent up to now is 594.4 secs Computing kpt #: 231 total cpu time spent up to now is 596.6 secs Computing kpt #: 232 total cpu time spent up to now is 599.5 secs Computing kpt #: 233 total cpu time spent up to now is 601.7 secs Computing kpt #: 234 total cpu time spent up to now is 605.4 secs Computing kpt #: 235 total cpu time spent up to now is 609.3 secs Computing kpt #: 236 total cpu time spent up to now is 611.8 secs Computing kpt #: 237 total cpu time spent up to now is 614.1 secs Computing kpt #: 238 total cpu time spent up to now is 616.5 secs Computing kpt #: 239 total cpu time spent up to now is 618.9 secs Computing kpt #: 240 total cpu time spent up to now is 621.4 secs Computing kpt #: 241 total cpu time spent up to now is 623.7 secs Computing kpt #: 242 total cpu time spent up to now is 626.3 secs Computing kpt #: 243 total cpu time spent up to now is 628.7 secs Computing kpt #: 244 total cpu time spent up to now is 631.2 secs Computing kpt #: 245 total cpu time spent up to now is 633.8 secs Computing kpt #: 246 total cpu time spent up to now is 636.5 secs Computing kpt #: 247 total cpu time spent up to now is 639.0 secs Computing kpt #: 248 total cpu time spent up to now is 641.5 secs Computing kpt #: 249 total cpu time spent up to now is 644.2 secs Computing kpt #: 250 total cpu time spent up to now is 646.7 secs Computing kpt #: 251 total cpu time spent up to now is 649.4 secs Computing kpt #: 252 total cpu time spent up to now is 652.0 secs Computing kpt #: 253 total cpu time spent up to now is 654.6 secs Computing kpt #: 254 total cpu time spent up to now is 657.0 secs Computing kpt #: 255 total cpu time spent up to now is 659.6 secs Computing kpt #: 256 total cpu time spent up to now is 662.1 secs Computing kpt #: 257 total cpu time spent up to now is 664.8 secs Computing kpt #: 258 total cpu time spent up to now is 667.5 secs Computing kpt #: 259 total cpu time spent up to now is 669.9 secs Computing kpt #: 260 total cpu time spent up to now is 672.4 secs Computing kpt #: 261 total cpu time spent up to now is 674.8 secs Computing kpt #: 262 total cpu time spent up to now is 677.7 secs Computing kpt #: 263 total cpu time spent up to now is 680.1 secs Computing kpt #: 264 total cpu time spent up to now is 682.7 secs Computing kpt #: 265 total cpu time spent up to now is 685.2 secs Computing kpt #: 266 total cpu time spent up to now is 687.7 secs Computing kpt #: 267 total cpu time spent up to now is 690.1 secs Computing kpt #: 268 total cpu time spent up to now is 692.6 secs Computing kpt #: 269 total cpu time spent up to now is 695.1 secs Computing kpt #: 270 total cpu time spent up to now is 697.5 secs Computing kpt #: 271 total cpu time spent up to now is 699.9 secs Computing kpt #: 272 total cpu time spent up to now is 702.4 secs Computing kpt #: 273 total cpu time spent up to now is 704.9 secs Computing kpt #: 274 total cpu time spent up to now is 707.3 secs Computing kpt #: 275 total cpu time spent up to now is 709.8 secs Computing kpt #: 276 total cpu time spent up to now is 712.3 secs Computing kpt #: 277 total cpu time spent up to now is 715.0 secs Computing kpt #: 278 total cpu time spent up to now is 717.4 secs Computing kpt #: 279 total cpu time spent up to now is 720.5 secs Computing kpt #: 280 total cpu time spent up to now is 723.0 secs Computing kpt #: 281 total cpu time spent up to now is 725.4 secs Computing kpt #: 282 total cpu time spent up to now is 728.3 secs Computing kpt #: 283 total cpu time spent up to now is 730.7 secs Computing kpt #: 284 total cpu time spent up to now is 733.3 secs Computing kpt #: 285 total cpu time spent up to now is 735.7 secs Computing kpt #: 286 total cpu time spent up to now is 738.3 secs Computing kpt #: 287 total cpu time spent up to now is 740.7 secs Computing kpt #: 288 total cpu time spent up to now is 743.1 secs Computing kpt #: 289 total cpu time spent up to now is 745.5 secs Computing kpt #: 290 total cpu time spent up to now is 747.9 secs Computing kpt #: 291 total cpu time spent up to now is 750.3 secs Computing kpt #: 292 total cpu time spent up to now is 752.7 secs Computing kpt #: 293 total cpu time spent up to now is 755.1 secs Computing kpt #: 294 total cpu time spent up to now is 757.5 secs Computing kpt #: 295 total cpu time spent up to now is 759.9 secs Computing kpt #: 296 total cpu time spent up to now is 762.2 secs Computing kpt #: 297 total cpu time spent up to now is 764.6 secs Computing kpt #: 298 total cpu time spent up to now is 767.1 secs Computing kpt #: 299 total cpu time spent up to now is 769.4 secs Computing kpt #: 300 total cpu time spent up to now is 772.1 secs Computing kpt #: 301 total cpu time spent up to now is 774.5 secs Computing kpt #: 302 total cpu time spent up to now is 777.1 secs Computing kpt #: 303 total cpu time spent up to now is 779.5 secs Computing kpt #: 304 total cpu time spent up to now is 781.9 secs Computing kpt #: 305 total cpu time spent up to now is 784.2 secs Computing kpt #: 306 total cpu time spent up to now is 786.7 secs Computing kpt #: 307 total cpu time spent up to now is 789.2 secs Computing kpt #: 308 total cpu time spent up to now is 791.9 secs Computing kpt #: 309 total cpu time spent up to now is 794.3 secs Computing kpt #: 310 total cpu time spent up to now is 797.0 secs Computing kpt #: 311 total cpu time spent up to now is 799.5 secs Computing kpt #: 312 total cpu time spent up to now is 801.9 secs Computing kpt #: 313 total cpu time spent up to now is 804.6 secs Computing kpt #: 314 total cpu time spent up to now is 807.3 secs Computing kpt #: 315 total cpu time spent up to now is 809.9 secs Computing kpt #: 316 total cpu time spent up to now is 812.4 secs Computing kpt #: 317 total cpu time spent up to now is 814.9 secs Computing kpt #: 318 total cpu time spent up to now is 817.3 secs Computing kpt #: 319 total cpu time spent up to now is 819.7 secs Computing kpt #: 320 total cpu time spent up to now is 822.1 secs Computing kpt #: 321 total cpu time spent up to now is 824.5 secs Computing kpt #: 322 total cpu time spent up to now is 827.0 secs Computing kpt #: 323 total cpu time spent up to now is 829.5 secs Computing kpt #: 324 total cpu time spent up to now is 832.0 secs Computing kpt #: 325 total cpu time spent up to now is 834.4 secs Computing kpt #: 326 total cpu time spent up to now is 836.9 secs Computing kpt #: 327 total cpu time spent up to now is 839.4 secs Computing kpt #: 328 total cpu time spent up to now is 841.8 secs Computing kpt #: 329 total cpu time spent up to now is 844.2 secs Computing kpt #: 330 total cpu time spent up to now is 846.5 secs Computing kpt #: 331 total cpu time spent up to now is 848.9 secs Computing kpt #: 332 total cpu time spent up to now is 851.2 secs Computing kpt #: 333 total cpu time spent up to now is 853.5 secs Computing kpt #: 334 total cpu time spent up to now is 855.8 secs Computing kpt #: 335 total cpu time spent up to now is 857.9 secs Computing kpt #: 336 total cpu time spent up to now is 860.1 secs Computing kpt #: 337 total cpu time spent up to now is 862.2 secs Computing kpt #: 338 total cpu time spent up to now is 864.4 secs Computing kpt #: 339 total cpu time spent up to now is 866.4 secs Computing kpt #: 340 total cpu time spent up to now is 868.5 secs Computing kpt #: 341 total cpu time spent up to now is 870.4 secs Computing kpt #: 342 total cpu time spent up to now is 872.4 secs Computing kpt #: 343 total cpu time spent up to now is 874.5 secs Computing kpt #: 344 total cpu time spent up to now is 876.5 secs Computing kpt #: 345 total cpu time spent up to now is 878.2 secs Computing kpt #: 346 total cpu time spent up to now is 880.1 secs Computing kpt #: 347 total cpu time spent up to now is 881.8 secs Computing kpt #: 348 total cpu time spent up to now is 883.7 secs Computing kpt #: 349 total cpu time spent up to now is 885.7 secs Computing kpt #: 350 total cpu time spent up to now is 887.6 secs Computing kpt #: 351 total cpu time spent up to now is 889.3 secs Computing kpt #: 352 total cpu time spent up to now is 891.0 secs Computing kpt #: 353 total cpu time spent up to now is 893.0 secs Computing kpt #: 354 total cpu time spent up to now is 894.9 secs Computing kpt #: 355 total cpu time spent up to now is 896.8 secs Computing kpt #: 356 total cpu time spent up to now is 899.0 secs Computing kpt #: 357 total cpu time spent up to now is 900.7 secs Computing kpt #: 358 total cpu time spent up to now is 902.4 secs Computing kpt #: 359 total cpu time spent up to now is 905.0 secs Computing kpt #: 360 total cpu time spent up to now is 907.8 secs Computing kpt #: 361 total cpu time spent up to now is 910.1 secs Computing kpt #: 362 total cpu time spent up to now is 912.0 secs Computing kpt #: 363 total cpu time spent up to now is 914.4 secs Computing kpt #: 364 total cpu time spent up to now is 916.8 secs Computing kpt #: 365 total cpu time spent up to now is 919.3 secs Computing kpt #: 366 total cpu time spent up to now is 922.0 secs Computing kpt #: 367 total cpu time spent up to now is 924.4 secs Computing kpt #: 368 total cpu time spent up to now is 926.9 secs Computing kpt #: 369 total cpu time spent up to now is 929.3 secs Computing kpt #: 370 total cpu time spent up to now is 931.7 secs Computing kpt #: 371 total cpu time spent up to now is 934.1 secs Computing kpt #: 372 total cpu time spent up to now is 936.5 secs Computing kpt #: 373 total cpu time spent up to now is 939.2 secs Computing kpt #: 374 total cpu time spent up to now is 941.7 secs Computing kpt #: 375 total cpu time spent up to now is 944.1 secs Computing kpt #: 376 total cpu time spent up to now is 946.6 secs Computing kpt #: 377 total cpu time spent up to now is 949.0 secs Computing kpt #: 378 total cpu time spent up to now is 951.4 secs Computing kpt #: 379 total cpu time spent up to now is 953.7 secs Computing kpt #: 380 total cpu time spent up to now is 956.2 secs Computing kpt #: 381 total cpu time spent up to now is 958.6 secs Computing kpt #: 382 total cpu time spent up to now is 961.0 secs Computing kpt #: 383 total cpu time spent up to now is 963.5 secs Computing kpt #: 384 total cpu time spent up to now is 966.0 secs Computing kpt #: 385 total cpu time spent up to now is 968.7 secs Computing kpt #: 386 total cpu time spent up to now is 971.1 secs Computing kpt #: 387 total cpu time spent up to now is 973.5 secs Computing kpt #: 388 total cpu time spent up to now is 976.1 secs ethr = 2.78E-11, avg # of iterations = 34.0 total cpu time spent up to now is 976.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6871 PWs) bands (ev): -37.0594 -37.0594 -36.9941 -36.9941 -14.7576 -14.7576 -11.7396 -11.7396 -11.7394 -11.7394 -11.3198 -11.3198 -3.3720 -3.3720 -1.1091 -1.1091 -1.1032 -1.1032 -0.3692 -0.3692 1.6232 1.6232 3.1606 3.1606 3.2754 3.2754 4.0980 4.0980 4.1076 4.1076 4.7706 4.7706 4.7952 4.7952 5.2197 5.2197 12.7557 12.7557 13.6353 13.6353 17.3498 17.3498 17.3506 17.3506 k = 0.0000 0.0000 0.0140 ( 6869 PWs) bands (ev): -37.0594 -37.0594 -36.9941 -36.9941 -14.7570 -14.7570 -11.7403 -11.7403 -11.7396 -11.7396 -11.3201 -11.3201 -3.3715 -3.3715 -1.1096 -1.1095 -1.1034 -1.1030 -0.3677 -0.3672 1.6219 1.6222 3.1610 3.1611 3.2754 3.2754 4.0993 4.0995 4.1088 4.1092 4.7691 4.7696 4.7939 4.7940 5.2183 5.2188 12.7583 12.7583 13.6373 13.6373 17.3495 17.3496 17.3503 17.3505 k = 0.0000 0.0000 0.0280 ( 6861 PWs) bands (ev): -37.0594 -37.0594 -36.9941 -36.9941 -14.7553 -14.7553 -11.7428 -11.7427 -11.7400 -11.7400 -11.3209 -11.3209 -3.3701 -3.3701 -1.1129 -1.1124 -1.1017 -1.1011 -0.3627 -0.3618 1.6183 1.6189 3.1623 3.1624 3.2755 3.2755 4.1027 4.1032 4.1134 4.1142 4.7648 4.7658 4.7904 4.7906 5.2146 5.2155 12.7659 12.7660 13.6430 13.6430 17.3487 17.3489 17.3496 17.3498 k = 0.0000 0.0000 0.0420 ( 6845 PWs) bands (ev): -37.0593 -37.0593 -36.9942 -36.9942 -14.7525 -14.7525 -11.7468 -11.7467 -11.7406 -11.7406 -11.3223 -11.3222 -3.3677 -3.3677 -1.1197 -1.1188 -1.0972 -1.0966 -0.3543 -0.3530 1.6124 1.6133 3.1644 3.1647 3.2758 3.2758 4.1075 4.1081 4.1221 4.1232 4.7571 4.7587 4.7855 4.7858 5.2086 5.2099 12.7787 12.7788 13.6526 13.6526 17.3473 17.3475 17.3486 17.3486 k = 0.0000 0.0000 0.0560 ( 6841 PWs) bands (ev): -37.0592 -37.0592 -36.9943 -36.9943 -14.7486 -14.7485 -11.7524 -11.7523 -11.7415 -11.7415 -11.3241 -11.3241 -3.3644 -3.3644 -1.1293 -1.1280 -1.0906 -1.0898 -0.3427 -0.3410 1.6043 1.6056 3.1674 3.1678 3.2764 3.2764 4.1134 4.1140 4.1350 4.1362 4.7454 4.7474 4.7798 4.7803 5.2003 5.2020 12.7965 12.7966 13.6659 13.6659 17.3453 17.3454 17.3471 17.3472 k = 0.0000 0.0000 0.0700 ( 6837 PWs) bands (ev): -37.0590 -37.0590 -36.9944 -36.9944 -14.7435 -14.7435 -11.7595 -11.7595 -11.7426 -11.7426 -11.3266 -11.3266 -3.3602 -3.3601 -1.1412 -1.1397 -1.0819 -1.0810 -0.3282 -0.3261 1.5941 1.5956 3.1712 3.1717 3.2776 3.2776 4.1204 4.1210 4.1516 4.1530 4.7294 4.7318 4.7738 4.7743 5.1898 5.1919 12.8194 12.8195 13.6830 13.6830 17.3424 17.3425 17.3451 17.3454 k = 0.0000 0.0000 0.0840 ( 6841 PWs) bands (ev): -37.0589 -37.0589 -36.9946 -36.9946 -14.7373 -14.7373 -11.7682 -11.7681 -11.7439 -11.7439 -11.3296 -11.3296 -3.3550 -3.3549 -1.1552 -1.1534 -1.0713 -1.0702 -0.3110 -0.3086 1.5818 1.5837 3.1758 3.1763 3.2795 3.2795 4.1286 4.1292 4.1714 4.1729 4.7094 4.7122 4.7673 4.7678 5.1771 5.1795 12.8472 12.8473 13.7037 13.7037 17.3384 17.3386 17.3429 17.3434 k = 0.0000 0.0000 0.0980 ( 6848 PWs) bands (ev): -37.0587 -37.0587 -36.9948 -36.9948 -14.7299 -14.7299 -11.7784 -11.7783 -11.7455 -11.7455 -11.3333 -11.3332 -3.3488 -3.3487 -1.1710 -1.1691 -1.0588 -1.0575 -0.2913 -0.2887 1.5676 1.5697 3.1810 3.1817 3.2824 3.2824 4.1381 4.1387 4.1939 4.1956 4.6856 4.6887 4.7602 4.7607 5.1622 5.1650 12.8799 12.8800 13.7280 13.7281 17.3332 17.3334 17.3405 17.3412 k = 0.0000 0.0000 0.1120 ( 6844 PWs) bands (ev): -37.0584 -37.0584 -36.9950 -36.9950 -14.7215 -14.7215 -11.7900 -11.7899 -11.7473 -11.7473 -11.3375 -11.3374 -3.3417 -3.3416 -1.1884 -1.1863 -1.0443 -1.0429 -0.2695 -0.2666 1.5516 1.5540 3.1869 3.1877 3.2865 3.2866 4.1487 4.1493 4.2188 4.2207 4.6585 4.6618 4.7525 4.7529 5.1453 5.1484 12.9173 12.9174 13.7559 13.7560 17.3266 17.3268 17.3379 17.3387 k = 0.0000 0.0000 0.1260 ( 6848 PWs) bands (ev): -37.0582 -37.0582 -36.9952 -36.9952 -14.7119 -14.7119 -11.8031 -11.8030 -11.7493 -11.7492 -11.3423 -11.3423 -3.3336 -3.3335 -1.2071 -1.2049 -1.0280 -1.0264 -0.2457 -0.2426 1.5340 1.5366 3.1933 3.1942 3.2919 3.2920 4.1605 4.1611 4.2456 4.2477 4.6282 4.6317 4.7440 4.7443 5.1264 5.1298 12.9595 12.9596 13.7871 13.7873 17.3183 17.3184 17.3352 17.3361 k = 0.0000 0.0000 0.1401 ( 6848 PWs) bands (ev): -37.0579 -37.0579 -36.9955 -36.9955 -14.7012 -14.7012 -11.8175 -11.8174 -11.7515 -11.7514 -11.3477 -11.3477 -3.3246 -3.3245 -1.2270 -1.2246 -1.0099 -1.0081 -0.2203 -0.2170 1.5149 1.5178 3.2001 3.2012 3.2988 3.2990 4.1732 4.1738 4.2740 4.2763 4.5950 4.5988 4.7348 4.7351 5.1057 5.1093 13.0062 13.0063 13.8218 13.8219 17.3081 17.3081 17.3324 17.3335 k = 0.0000 0.0000 0.1541 ( 6844 PWs) bands (ev): -37.0576 -37.0576 -36.9957 -36.9957 -14.6894 -14.6894 -11.8333 -11.8332 -11.7538 -11.7538 -11.3538 -11.3538 -3.3146 -3.3145 -1.2477 -1.2453 -0.9900 -0.9880 -0.1934 -0.1900 1.4945 1.4977 3.2073 3.2084 3.3073 3.3076 4.1868 4.1874 4.3034 4.3059 4.5594 4.5633 4.7250 4.7252 5.0833 5.0870 13.0573 13.0575 13.8596 13.8598 17.2957 17.2958 17.3297 17.3309 k = 0.0000 0.0000 0.1681 ( 6844 PWs) bands (ev): -37.0572 -37.0572 -36.9961 -36.9961 -14.6765 -14.6765 -11.8504 -11.8503 -11.7564 -11.7564 -11.3605 -11.3605 -3.3037 -3.3036 -1.2693 -1.2668 -0.9683 -0.9662 -0.1652 -0.1617 1.4731 1.4765 3.2145 3.2159 3.3175 3.3179 4.2010 4.2016 4.3335 4.3363 4.5216 4.5258 4.7146 4.7148 5.0593 5.0632 13.1128 13.1129 13.9006 13.9009 17.2810 17.2813 17.3270 17.3283 k = 0.0000 0.0000 0.1821 ( 6848 PWs) bands (ev): -37.0569 -37.0569 -36.9964 -36.9964 -14.6625 -14.6625 -11.8688 -11.8687 -11.7591 -11.7591 -11.3679 -11.3678 -3.2919 -3.2917 -1.2915 -1.2889 -0.9449 -0.9426 -0.1359 -0.1323 1.4508 1.4545 3.2218 3.2233 3.3294 3.3300 4.2154 4.2161 4.3638 4.3668 4.4823 4.4866 4.7040 4.7041 5.0339 5.0379 13.1724 13.1726 13.9445 13.9449 17.2639 17.2644 17.3246 17.3260 k = 0.0000 0.0000 0.1961 ( 6848 PWs) bands (ev): -37.0565 -37.0565 -36.9968 -36.9968 -14.6474 -14.6474 -11.8885 -11.8884 -11.7620 -11.7620 -11.3759 -11.3758 -3.2791 -3.2789 -1.3142 -1.3116 -0.9199 -0.9174 -0.1057 -0.1020 1.4279 1.4318 3.2289 3.2305 3.3430 3.3437 4.2295 4.2302 4.3936 4.3969 4.4422 4.4467 4.6934 4.6935 5.0073 5.0115 13.2360 13.2362 13.9914 13.9918 17.2445 17.2452 17.3224 17.3239 k = 0.0000 0.0000 0.2101 ( 6844 PWs) bands (ev): -37.0561 -37.0561 -36.9971 -36.9971 -14.6312 -14.6312 -11.9093 -11.9092 -11.7651 -11.7650 -11.3844 -11.3844 -3.2653 -3.2651 -1.3373 -1.3347 -0.8933 -0.8905 -0.0746 -0.0708 1.4046 1.4088 3.2355 3.2373 3.3582 3.3592 4.2418 4.2427 4.4024 4.4065 4.4231 4.4262 4.6833 4.6834 4.9798 4.9841 13.3034 13.3036 14.0410 14.0415 17.2228 17.2237 17.3206 17.3222 k = 0.0000 0.0000 0.2241 ( 6836 PWs) bands (ev): -37.0556 -37.0556 -36.9976 -36.9975 -14.6139 -14.6139 -11.9314 -11.9313 -11.7682 -11.7682 -11.3936 -11.3936 -3.2506 -3.2504 -1.3608 -1.3582 -0.8652 -0.8622 -0.0429 -0.0391 1.3812 1.3857 3.2414 3.2434 3.3751 3.3762 4.2490 4.2504 4.3674 4.3715 4.4491 4.4528 4.6748 4.6748 4.9516 4.9560 13.3745 13.3747 14.0932 14.0937 17.1990 17.2001 17.3192 17.3209 k = 0.0000 0.0000 0.2381 ( 6846 PWs) bands (ev): -37.0551 -37.0551 -36.9980 -36.9980 -14.5956 -14.5955 -11.9546 -11.9545 -11.7715 -11.7714 -11.4034 -11.4033 -3.2350 -3.2348 -1.3845 -1.3820 -0.8356 -0.8324 -0.0107 -0.0068 1.3580 1.3627 3.2463 3.2486 3.3935 3.3948 4.2428 4.2455 4.3447 4.3478 4.4718 4.4757 4.6691 4.6691 4.9231 4.9276 13.4490 13.4492 14.1478 14.1485 17.1734 17.1747 17.3184 17.3201 k = 0.0000 0.0000 0.2521 ( 6848 PWs) bands (ev): -37.0546 -37.0546 -36.9985 -36.9985 -14.5761 -14.5761 -11.9789 -11.9788 -11.7748 -11.7748 -11.4137 -11.4136 -3.2185 -3.2183 -1.4085 -1.4060 -0.8047 -0.8012 0.0220 0.0259 1.3351 1.3402 3.2499 3.2524 3.4133 3.4148 4.2172 4.2213 4.3408 4.3427 4.4887 4.4927 4.6681 4.6684 4.8947 4.8993 13.5268 13.5270 14.2048 14.2056 17.1463 17.1477 17.3181 17.3198 k = 0.0000 0.0000 0.2661 ( 6846 PWs) bands (ev): -37.0541 -37.0541 -36.9989 -36.9989 -14.5557 -14.5556 -12.0043 -12.0042 -11.7782 -11.7782 -11.4245 -11.4245 -3.2011 -3.2008 -1.4326 -1.4301 -0.7724 -0.7688 0.0550 0.0589 1.3129 1.3182 3.2519 3.2546 3.4344 3.4361 4.1790 4.1840 4.3489 4.3501 4.4978 4.5016 4.6739 4.6746 4.8669 4.8715 13.6076 13.6078 14.2640 14.2649 17.1179 17.1195 17.3182 17.3199 k = 0.0000 0.0000 0.2801 ( 6842 PWs) bands (ev): -37.0535 -37.0535 -36.9995 -36.9995 -14.5341 -14.5341 -12.0308 -12.0307 -11.7817 -11.7817 -11.4359 -11.4358 -3.1827 -3.1825 -1.4569 -1.4544 -0.7391 -0.7352 0.0881 0.0920 1.2916 1.2972 3.2519 3.2548 3.4565 3.4584 4.1357 4.1413 4.3615 4.3623 4.4986 4.5019 4.6868 4.6880 4.8401 4.8448 13.6912 13.6914 14.3252 14.3262 17.0887 17.0905 17.3186 17.3202 k = 0.0000 0.0000 0.2941 ( 6838 PWs) bands (ev): -37.0530 -37.0530 -37.0000 -37.0000 -14.5115 -14.5115 -12.0584 -12.0583 -11.7853 -11.7852 -11.4476 -11.4476 -3.1635 -3.1633 -1.4812 -1.4788 -0.7047 -0.7005 0.1213 0.1252 1.2715 1.2773 3.2494 3.2526 3.4795 3.4817 4.0906 4.0966 4.3754 4.3758 4.4923 4.4953 4.7054 4.7072 4.8150 4.8198 13.7774 13.7777 14.3883 14.3894 17.0590 17.0608 17.3183 17.3195 k = 0.0000 0.0000 0.3081 ( 6834 PWs) bands (ev): -37.0523 -37.0523 -37.0005 -37.0005 -14.4879 -14.4879 -12.0870 -12.0869 -11.7888 -11.7888 -11.4598 -11.4598 -3.1434 -3.1432 -1.5057 -1.5033 -0.6693 -0.6649 0.1544 0.1582 1.2527 1.2589 3.2443 3.2477 3.5032 3.5056 4.0448 4.0513 4.3891 4.3892 4.4811 4.4836 4.7279 4.7300 4.7922 4.7971 13.8660 13.8663 14.4531 14.4544 17.0290 17.0309 17.3145 17.3147 k = 0.0000 0.0000 0.3221 ( 6836 PWs) bands (ev): -37.0517 -37.0517 -37.0011 -37.0011 -14.4633 -14.4632 -12.1167 -12.1166 -11.7924 -11.7923 -11.4723 -11.4723 -3.1225 -3.1223 -1.5301 -1.5278 -0.6331 -0.6284 0.1873 0.1911 1.2356 1.2421 3.2360 3.2397 3.5273 3.5299 3.9991 4.0059 4.4015 4.4018 4.4668 4.4689 4.7523 4.7539 4.7724 4.7782 13.9567 13.9570 14.5195 14.5209 16.9991 17.0010 17.2981 17.2995 k = 0.0000 0.0000 0.3361 ( 6834 PWs) bands (ev): -37.0511 -37.0511 -37.0017 -37.0017 -14.4376 -14.4376 -12.1473 -12.1472 -11.7959 -11.7959 -11.4852 -11.4852 -3.1008 -3.1006 -1.5546 -1.5523 -0.5963 -0.5913 0.2198 0.2235 1.2204 1.2272 3.2245 3.2284 3.5515 3.5544 3.9537 3.9608 4.4119 4.4131 4.4509 4.4523 4.7561 4.7587 4.7777 4.7828 14.0493 14.0495 14.5872 14.5887 16.9696 16.9715 17.2673 17.2692 k = 0.0000 0.0000 0.3501 ( 6830 PWs) bands (ev): -37.0504 -37.0504 -37.0023 -37.0023 -14.4109 -14.4109 -12.1789 -12.1788 -11.7994 -11.7994 -11.4983 -11.4983 -3.0782 -3.0780 -1.5791 -1.5768 -0.5589 -0.5536 0.2518 0.2555 1.2074 1.2145 3.2097 3.2137 3.5755 3.5787 3.9086 3.9160 4.4184 4.4219 4.4355 4.4361 4.7442 4.7474 4.8031 4.8076 14.1434 14.1436 14.6560 14.6577 16.9406 16.9425 17.2293 17.2313 k = 0.0000 0.0000 0.3641 ( 6830 PWs) bands (ev): -37.0497 -37.0497 -37.0030 -37.0030 -14.3833 -14.3833 -12.2115 -12.2114 -11.8029 -11.8028 -11.5117 -11.5116 -3.0549 -3.0547 -1.6036 -1.6014 -0.5211 -0.5156 0.2832 0.2867 1.1968 1.2042 3.1914 3.1956 3.5989 3.6023 3.8638 3.8713 4.4105 4.4147 4.4328 4.4338 4.7366 4.7397 4.8281 4.8328 14.2388 14.2390 14.7259 14.7277 16.9125 16.9144 17.1890 17.1910 k = 0.0000 0.0000 0.3781 ( 6822 PWs) bands (ev): -37.0490 -37.0490 -37.0036 -37.0036 -14.3547 -14.3546 -12.2451 -12.2449 -11.8062 -11.8062 -11.5252 -11.5251 -3.0309 -3.0307 -1.6280 -1.6259 -0.4832 -0.4773 0.3137 0.3172 1.1888 1.1966 3.1699 3.1742 3.6212 3.6249 3.8190 3.8267 4.3942 4.3973 4.4387 4.4391 4.7333 4.7361 4.8524 4.8573 14.3351 14.3354 14.7965 14.7985 16.8854 16.8873 17.1481 17.1500 k = 0.0000 0.0000 0.3921 ( 6822 PWs) bands (ev): -37.0483 -37.0483 -37.0043 -37.0043 -14.3251 -14.3251 -12.2795 -12.2794 -11.8095 -11.8094 -11.5388 -11.5387 -3.0061 -3.0059 -1.6525 -1.6505 -0.4451 -0.4389 0.3432 0.3465 1.1836 1.1918 3.1456 3.1499 3.6419 3.6459 3.7741 3.7816 4.3775 4.3802 4.4440 4.4451 4.7340 4.7365 4.8758 4.8809 14.4322 14.4325 14.8676 14.8698 16.8595 16.8614 17.1074 17.1093 k = 0.0000 0.0000 0.4062 ( 6830 PWs) bands (ev): -37.0475 -37.0475 -37.0050 -37.0050 -14.2946 -14.2946 -12.3149 -12.3148 -11.8126 -11.8126 -11.5525 -11.5524 -2.9807 -2.9805 -1.6770 -1.6750 -0.4072 -0.4007 0.3715 0.3747 1.1815 1.1900 3.1188 3.1230 3.6600 3.6646 3.7289 3.7359 4.3621 4.3644 4.4495 4.4511 4.7380 4.7402 4.8980 4.9034 14.5295 14.5299 14.9390 14.9414 16.8351 16.8369 17.0673 17.0693 k = 0.0000 0.0000 0.4202 ( 6830 PWs) bands (ev): -37.0468 -37.0468 -37.0057 -37.0057 -14.2632 -14.2631 -12.3511 -12.3510 -11.8157 -11.8156 -11.5662 -11.5661 -2.9547 -2.9545 -1.7015 -1.6996 -0.3695 -0.3627 0.3985 0.4015 1.1827 1.1916 3.0902 3.0941 3.6703 3.6797 3.6879 3.6901 4.3486 4.3506 4.4558 4.4578 4.7445 4.7465 4.9189 4.9245 14.6268 14.6272 15.0104 15.0130 16.8122 16.8140 17.0284 17.0303 k = 0.0000 0.0000 0.4342 ( 6824 PWs) bands (ev): -37.0460 -37.0460 -37.0065 -37.0065 -14.2308 -14.2308 -12.3882 -12.3881 -11.8185 -11.8185 -11.5799 -11.5798 -2.9280 -2.9279 -1.7259 -1.7241 -0.3322 -0.3251 0.4238 0.4266 1.1873 1.1965 3.0602 3.0639 3.6322 3.6409 3.6907 3.6933 4.3377 4.3395 4.4634 4.4657 4.7530 4.7547 4.9384 4.9443 14.7237 14.7241 15.0815 15.0843 16.7911 16.7929 16.9908 16.9929 k = 0.0000 0.0000 0.4482 ( 6824 PWs) bands (ev): -37.0452 -37.0452 -37.0072 -37.0072 -14.1976 -14.1976 -12.4261 -12.4260 -11.8212 -11.8212 -11.5934 -11.5934 -2.9009 -2.9007 -1.7504 -1.7486 -0.2954 -0.2880 0.4473 0.4499 1.1955 1.2051 3.0294 3.0327 3.5840 3.5918 3.6983 3.7014 4.3303 4.3318 4.4727 4.4751 4.7626 4.7642 4.9565 4.9626 14.8197 14.8201 15.1519 15.1549 16.7720 16.7737 16.9551 16.9573 k = 0.0000 0.0000 0.4622 ( 6820 PWs) bands (ev): -37.0444 -37.0444 -37.0080 -37.0080 -14.1635 -14.1635 -12.4648 -12.4647 -11.8237 -11.8236 -11.6069 -11.6069 -2.8732 -2.8730 -1.7749 -1.7732 -0.2592 -0.2516 0.4688 0.4712 1.2075 1.2174 2.9985 3.0013 3.5340 3.5413 3.7016 3.7048 4.3267 4.3279 4.4839 4.4863 4.7729 4.7744 4.9729 4.9794 14.9144 14.9149 15.2214 15.2246 16.7550 16.7566 16.9215 16.9238 k = 0.0000 0.0000 0.4762 ( 6828 PWs) bands (ev): -37.0435 -37.0435 -37.0088 -37.0088 -14.1286 -14.1285 -12.5042 -12.5041 -11.8259 -11.8259 -11.6202 -11.6202 -2.8451 -2.8449 -1.7994 -1.7978 -0.2238 -0.2159 0.4881 0.4902 1.2232 1.2335 2.9679 2.9701 3.4829 3.4895 3.7000 3.7031 4.3275 4.3282 4.4970 4.4994 4.7833 4.7849 4.9878 4.9945 15.0073 15.0078 15.2895 15.2930 16.7403 16.7419 16.8905 16.8929 k = 0.0000 0.0000 0.4902 ( 6816 PWs) bands (ev): -37.0427 -37.0427 -37.0096 -37.0096 -14.0928 -14.0928 -12.5444 -12.5443 -11.8280 -11.8279 -11.6333 -11.6333 -2.8165 -2.8164 -1.8239 -1.8224 -0.1891 -0.1811 0.5050 0.5068 1.2429 1.2534 2.9380 2.9395 3.4308 3.4368 3.6931 3.6960 4.3325 4.3328 4.5121 4.5143 4.7936 4.7953 5.0010 5.0079 15.0979 15.0984 15.3558 15.3595 16.7282 16.7296 16.8623 16.8649 k = 0.0000 0.0000 0.5042 ( 6824 PWs) bands (ev): -37.0418 -37.0418 -37.0104 -37.0104 -14.0563 -14.0562 -12.5852 -12.5851 -11.8297 -11.8297 -11.6462 -11.6461 -2.7877 -2.7875 -1.8485 -1.8470 -0.1553 -0.1471 0.5192 0.5207 1.2664 1.2772 2.9090 2.9097 3.3781 3.3834 3.6812 3.6838 4.3416 4.3418 4.5287 4.5308 4.8035 4.8053 5.0124 5.0196 15.1855 15.1862 15.4198 15.4237 16.7189 16.7202 16.8375 16.8403 k = 0.0000 0.0000 0.5182 ( 6824 PWs) bands (ev): -37.0410 -37.0409 -37.0112 -37.0112 -14.0189 -14.0189 -12.6267 -12.6266 -11.8312 -11.8312 -11.6587 -11.6587 -2.7585 -2.7584 -1.8731 -1.8717 -0.1223 -0.1140 0.5307 0.5318 1.2938 1.3049 2.8809 2.8812 3.3255 3.3298 3.6645 3.6668 4.3542 4.3549 4.5469 4.5486 4.8127 4.8147 5.0222 5.0295 15.2697 15.2704 15.4810 15.4852 16.7126 16.7138 16.8163 16.8193 k = 0.0000 0.0000 0.5322 ( 6824 PWs) bands (ev): -37.0401 -37.0401 -37.0121 -37.0121 -13.9809 -13.9808 -12.6689 -12.6687 -11.8324 -11.8324 -11.6710 -11.6710 -2.7291 -2.7289 -1.8979 -1.8965 -0.0901 -0.0817 0.5392 0.5399 1.3250 1.3363 2.8528 2.8543 3.2735 3.2768 3.6435 3.6455 4.3701 4.3714 4.5663 4.5676 4.8211 4.8234 5.0301 5.0377 15.3498 15.3505 15.5389 15.5434 16.7096 16.7107 16.7993 16.8025 k = 0.0000 0.0000 0.5462 ( 6830 PWs) bands (ev): -37.0392 -37.0392 -37.0130 -37.0130 -13.9421 -13.9420 -12.7115 -12.7114 -11.8333 -11.8332 -11.6829 -11.6829 -2.6994 -2.6993 -1.9227 -1.9214 -0.0587 -0.0502 0.5447 0.5450 1.3599 1.3714 2.8250 2.8280 3.2231 3.2252 3.6188 3.6205 4.3888 4.3905 4.5865 4.5874 4.8286 4.8313 5.0363 5.0441 15.4251 15.4260 15.5930 15.5978 16.7102 16.7112 16.7867 16.7902 k = 0.0000 0.0000 0.5602 ( 6832 PWs) bands (ev): -37.0383 -37.0383 -37.0138 -37.0138 -13.9026 -13.9025 -12.7547 -12.7546 -11.8338 -11.8338 -11.6945 -11.6945 -2.6697 -2.6696 -1.9476 -1.9464 -0.0280 -0.0195 0.5470 0.5471 1.3983 1.4100 2.7968 2.8014 3.1755 3.1762 3.5910 3.5923 4.4096 4.4118 4.6074 4.6077 4.8351 4.8384 5.0406 5.0487 15.4951 15.4960 15.6429 15.6479 16.7146 16.7154 16.7790 16.7826 k = 0.0000 0.0000 0.5742 ( 6828 PWs) bands (ev): -37.0373 -37.0373 -37.0147 -37.0147 -13.8624 -13.8623 -12.7984 -12.7982 -11.8340 -11.8340 -11.7057 -11.7056 -2.6398 -2.6397 -1.9726 -1.9715 0.0022 0.0106 0.5459 0.5464 1.4401 1.4520 2.7669 2.7734 3.1314 3.1323 3.5606 3.5616 4.4320 4.4347 4.6280 4.6285 4.8406 4.8446 5.0432 5.0515 15.5592 15.5603 15.6879 15.6932 16.7229 16.7236 16.7764 16.7801 k = 0.0000 0.0000 0.5882 ( 6824 PWs) bands (ev): -37.0364 -37.0364 -37.0156 -37.0156 -13.8216 -13.8215 -12.8424 -12.8423 -11.8338 -11.8338 -11.7164 -11.7164 -2.6099 -2.6098 -1.9978 -1.9967 0.0318 0.0401 0.5416 0.5427 1.4851 1.4971 2.7341 2.7424 3.0926 3.0950 3.5282 3.5289 4.4555 4.4586 4.6480 4.6494 4.8453 4.8502 5.0440 5.0525 15.6169 15.6182 15.7280 15.7334 16.7352 16.7358 16.7788 16.7827 k = 0.0000 0.0000 0.6022 ( 6816 PWs) bands (ev): -37.0355 -37.0355 -37.0165 -37.0165 -13.7802 -13.7801 -12.8869 -12.8868 -11.8333 -11.8333 -11.7268 -11.7267 -2.5799 -2.5799 -2.0231 -2.0222 0.0609 0.0692 0.5344 0.5359 1.5331 1.5452 2.6968 2.7069 3.0614 3.0653 3.4941 3.4945 4.4797 4.4832 4.6671 4.6696 4.8494 4.8554 5.0430 5.0517 15.6682 15.6696 15.7628 15.7683 16.7514 16.7517 16.7863 16.7902 k = 0.0000 0.0000 0.6162 ( 6820 PWs) bands (ev): -37.0346 -37.0346 -37.0174 -37.0174 -13.7383 -13.7382 -12.9317 -12.9316 -11.8324 -11.8323 -11.7366 -11.7366 -2.5501 -2.5501 -2.0487 -2.0477 0.0898 0.0979 0.5243 0.5263 1.5838 1.5959 2.6544 2.6659 3.0391 3.0440 3.4589 3.4590 4.5041 4.5081 4.6848 4.6885 4.8532 4.8605 5.0402 5.0493 15.7128 15.7143 15.7925 15.7980 16.7710 16.7711 16.7983 16.8022 k = 0.0000 0.0000 0.6302 ( 6820 PWs) bands (ev): -37.0336 -37.0336 -37.0183 -37.0183 -13.6958 -13.6957 -12.9767 -12.9766 -11.8310 -11.8310 -11.7461 -11.7460 -2.5203 -2.5203 -2.0744 -2.0735 0.1183 0.1263 0.5115 0.5139 1.6369 1.6492 2.6068 2.6191 3.0258 3.0313 3.4227 3.4229 4.5286 4.5330 4.7002 4.7054 4.8573 4.8660 5.0358 5.0451 15.7509 15.7526 15.8171 15.8226 16.7933 16.7935 16.8143 16.8181 k = 0.0000 0.0000 0.6442 ( 6826 PWs) bands (ev): -37.0327 -37.0327 -37.0193 -37.0193 -13.6528 -13.6527 -13.0220 -13.0219 -11.8292 -11.8292 -11.7550 -11.7550 -2.4907 -2.4906 -2.1003 -2.0995 0.1467 0.1545 0.4963 0.4991 1.6923 1.7047 2.5544 2.5673 3.0210 3.0266 3.3859 3.3864 4.5527 4.5575 4.7127 4.7194 4.8623 4.8726 5.0297 5.0393 15.7828 15.7848 15.8370 15.8424 16.8174 16.8179 16.8332 16.8369 k = 0.0000 0.0000 0.6582 ( 6818 PWs) bands (ev): -37.0317 -37.0317 -37.0202 -37.0202 -13.6093 -13.6092 -13.0675 -13.0674 -11.8270 -11.8270 -11.7635 -11.7635 -2.4612 -2.4611 -2.1265 -2.1258 0.1749 0.1825 0.4787 0.4820 1.7498 1.7621 2.4981 2.5113 3.0236 3.0291 3.3490 3.3498 4.5762 4.5814 4.7214 4.7294 4.8692 4.8808 5.0221 5.0319 15.8091 15.8114 15.8527 15.8579 16.8423 16.8432 16.8540 16.8575 k = 0.0000 0.0000 0.6723 ( 6820 PWs) bands (ev): -37.0307 -37.0307 -37.0211 -37.0211 -13.5655 -13.5654 -13.1131 -13.1130 -11.8244 -11.8243 -11.7715 -11.7715 -2.4319 -2.4317 -2.1529 -2.1522 0.2030 0.2103 0.4592 0.4629 1.8089 1.8214 2.4389 2.4522 3.0326 3.0378 3.3122 3.3134 4.5989 4.6045 4.7259 4.7348 4.8784 4.8909 5.0129 5.0230 15.8304 15.8328 15.8646 15.8696 16.8668 16.8681 16.8752 16.8784 k = 0.0000 0.0000 0.6863 ( 6818 PWs) bands (ev): -37.0298 -37.0298 -37.0221 -37.0221 -13.5212 -13.5211 -13.1588 -13.1587 -11.8213 -11.8212 -11.7790 -11.7790 -2.4028 -2.4026 -2.1796 -2.1789 0.2309 0.2379 0.4378 0.4420 1.8696 1.8821 2.3776 2.3908 3.0469 3.0517 3.2760 3.2776 4.6205 4.6266 4.7262 4.7354 4.8900 4.9029 5.0023 5.0127 15.8472 15.8499 15.8731 15.8780 16.8896 16.8913 16.8955 16.8984 k = 0.0000 0.0000 0.7003 ( 6826 PWs) bands (ev): -37.0288 -37.0288 -37.0231 -37.0231 -13.4766 -13.4765 -13.2045 -13.2044 -11.8177 -11.8176 -11.7860 -11.7860 -2.3739 -2.3737 -2.2065 -2.2059 0.2586 0.2654 0.4150 0.4196 1.9315 1.9441 2.3148 2.3279 3.0657 3.0701 3.2406 3.2425 4.6409 4.6474 4.7225 4.7317 4.9034 4.9164 4.9904 5.0011 15.8601 15.8631 15.8788 15.8833 16.9092 16.9112 16.9132 16.9159 k = 0.0000 0.0000 0.7143 ( 6826 PWs) bands (ev): -37.0279 -37.0279 -37.0240 -37.0240 -13.4318 -13.4317 -13.2502 -13.2501 -11.8136 -11.8136 -11.7925 -11.7925 -2.3453 -2.3451 -2.2337 -2.2332 0.2861 0.2925 0.3909 0.3959 1.9945 2.0071 2.2510 2.2640 3.0883 3.0923 3.2064 3.2087 4.6597 4.6667 4.7152 4.7241 4.9181 4.9308 4.9773 4.9884 15.8698 15.8730 15.8818 15.8861 16.9245 16.9267 16.9270 16.9295 k = 0.0000 0.0000 0.7283 ( 6826 PWs) bands (ev): -37.0269 -37.0269 -37.0250 -37.0250 -13.3866 -13.3865 -13.2958 -13.2957 -11.8091 -11.8090 -11.7985 -11.7985 -2.3170 -2.3167 -2.2612 -2.2607 0.3132 0.3193 0.3658 0.3712 2.0582 2.0709 2.1868 2.1997 3.1142 3.1177 3.1737 3.1763 4.6769 4.6843 4.7050 4.7134 4.9333 4.9456 4.9633 4.9748 15.8765 15.8800 15.8824 15.8865 16.9343 16.9356 16.9367 16.9380 k = 0.0000 0.0000 0.7423 ( 6818 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3413 -13.3413 -13.3412 -13.3412 -11.8041 -11.8041 -11.8040 -11.8040 -2.2890 -2.2890 -2.2886 -2.2886 0.3398 0.3398 0.3456 0.3456 2.1224 2.1224 2.1352 2.1352 3.1428 3.1428 3.1459 3.1459 4.6921 4.6921 4.7000 4.7000 4.9485 4.9485 4.9604 4.9604 15.8807 15.8807 15.8844 15.8844 16.9381 16.9381 16.9405 16.9405 k = 0.0000 0.0000 0.7423 ( 6818 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3413 -13.3413 -13.3412 -13.3412 -11.8041 -11.8041 -11.8040 -11.8040 -2.2890 -2.2890 -2.2886 -2.2886 0.3398 0.3398 0.3456 0.3456 2.1224 2.1224 2.1352 2.1352 3.1428 3.1428 3.1459 3.1459 4.6921 4.6921 4.7000 4.7000 4.9485 4.9485 4.9604 4.9604 15.8807 15.8807 15.8844 15.8844 16.9381 16.9381 16.9405 16.9405 k =-0.0094 0.0104 0.7423 ( 6826 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3413 -13.3413 -13.3412 -13.3412 -11.8042 -11.8042 -11.8041 -11.8041 -2.2879 -2.2879 -2.2875 -2.2875 0.3395 0.3395 0.3453 0.3453 2.1219 2.1219 2.1348 2.1348 3.1418 3.1418 3.1450 3.1450 4.6933 4.6933 4.7013 4.7013 4.9478 4.9478 4.9597 4.9597 15.8795 15.8795 15.8833 15.8833 16.9366 16.9366 16.9390 16.9390 k =-0.0189 0.0207 0.7423 ( 6830 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3412 -13.3412 -13.3411 -13.3411 -11.8045 -11.8045 -11.8045 -11.8045 -2.2848 -2.2848 -2.2844 -2.2844 0.3386 0.3386 0.3444 0.3444 2.1206 2.1206 2.1334 2.1334 3.1388 3.1388 3.1422 3.1422 4.6971 4.6971 4.7051 4.7051 4.9457 4.9457 4.9576 4.9576 15.8761 15.8761 15.8799 15.8800 16.9321 16.9321 16.9346 16.9346 k =-0.0283 0.0311 0.7423 ( 6840 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3411 -13.3411 -13.3410 -13.3410 -11.8051 -11.8051 -11.8050 -11.8050 -2.2797 -2.2797 -2.2793 -2.2793 0.3371 0.3371 0.3429 0.3429 2.1184 2.1184 2.1313 2.1313 3.1339 3.1339 3.1376 3.1376 4.7033 4.7033 4.7115 4.7115 4.9421 4.9421 4.9540 4.9540 15.8702 15.8702 15.8742 15.8742 16.9246 16.9246 16.9272 16.9272 k =-0.0378 0.0414 0.7423 ( 6828 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3410 -13.3410 -13.3409 -13.3409 -11.8058 -11.8058 -11.8058 -11.8058 -2.2725 -2.2725 -2.2720 -2.2720 0.3350 0.3350 0.3409 0.3409 2.1154 2.1154 2.1283 2.1283 3.1272 3.1272 3.1314 3.1314 4.7119 4.7119 4.7202 4.7202 4.9372 4.9372 4.9491 4.9491 15.8617 15.8617 15.8657 15.8657 16.9144 16.9144 16.9171 16.9171 k =-0.0472 0.0518 0.7423 ( 6832 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3408 -13.3408 -13.3407 -13.3407 -11.8068 -11.8068 -11.8068 -11.8068 -2.2633 -2.2633 -2.2628 -2.2628 0.3323 0.3323 0.3382 0.3382 2.1115 2.1115 2.1245 2.1245 3.1190 3.1190 3.1235 3.1235 4.7226 4.7226 4.7311 4.7311 4.9307 4.9307 4.9427 4.9427 15.8501 15.8501 15.8542 15.8542 16.9015 16.9015 16.9045 16.9045 k =-0.0566 0.0621 0.7423 ( 6832 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3406 -13.3406 -13.3405 -13.3405 -11.8081 -11.8081 -11.8080 -11.8080 -2.2522 -2.2521 -2.2516 -2.2516 0.3290 0.3291 0.3350 0.3350 2.1069 2.1069 2.1199 2.1199 3.1093 3.1093 3.1143 3.1143 4.7352 4.7352 4.7440 4.7440 4.9229 4.9229 4.9349 4.9349 15.8352 15.8352 15.8394 15.8394 16.8863 16.8864 16.8895 16.8895 k =-0.0661 0.0725 0.7423 ( 6832 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3404 -13.3404 -13.3403 -13.3403 -11.8095 -11.8095 -11.8094 -11.8094 -2.2391 -2.2391 -2.2385 -2.2385 0.3252 0.3252 0.3312 0.3312 2.1016 2.1016 2.1147 2.1147 3.0985 3.0985 3.1040 3.1040 4.7496 4.7496 4.7586 4.7586 4.9137 4.9137 4.9257 4.9257 15.8165 15.8165 15.8209 15.8209 16.8692 16.8692 16.8725 16.8725 k =-0.0755 0.0829 0.7423 ( 6834 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3401 -13.3401 -13.3400 -13.3400 -11.8111 -11.8111 -11.8110 -11.8110 -2.2241 -2.2241 -2.2235 -2.2235 0.3208 0.3208 0.3269 0.3269 2.0956 2.0956 2.1087 2.1087 3.0867 3.0867 3.0926 3.0926 4.7655 4.7655 4.7748 4.7748 4.9030 4.9030 4.9151 4.9151 15.7937 15.7937 15.7981 15.7981 16.8505 16.8505 16.8540 16.8540 k =-0.0849 0.0932 0.7423 ( 6824 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3398 -13.3398 -13.3397 -13.3397 -11.8129 -11.8129 -11.8128 -11.8128 -2.2074 -2.2074 -2.2067 -2.2067 0.3158 0.3158 0.3220 0.3220 2.0890 2.0890 2.1022 2.1023 3.0742 3.0742 3.0805 3.0805 4.7825 4.7825 4.7922 4.7922 4.8909 4.8909 4.9032 4.9032 15.7665 15.7665 15.7709 15.7709 16.8306 16.8306 16.8343 16.8343 k =-0.0944 0.1036 0.7423 ( 6828 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3394 -13.3394 -13.3393 -13.3393 -11.8149 -11.8149 -11.8148 -11.8148 -2.1889 -2.1889 -2.1882 -2.1882 0.3103 0.3103 0.3166 0.3166 2.0819 2.0819 2.0953 2.0953 3.0611 3.0611 3.0678 3.0678 4.8002 4.8002 4.8104 4.8104 4.8777 4.8777 4.8902 4.8902 15.7345 15.7345 15.7390 15.7390 16.8100 16.8100 16.8138 16.8138 k =-0.1038 0.1139 0.7423 ( 6832 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3391 -13.3391 -13.3390 -13.3390 -11.8171 -11.8171 -11.8170 -11.8170 -2.1687 -2.1687 -2.1680 -2.1680 0.3042 0.3042 0.3106 0.3106 2.0744 2.0744 2.0878 2.0879 3.0478 3.0478 3.0548 3.0548 4.8175 4.8175 4.8283 4.8283 4.8641 4.8641 4.8769 4.8769 15.6978 15.6978 15.7022 15.7022 16.7890 16.7891 16.7928 16.7929 k =-0.1133 0.1243 0.7423 ( 6844 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3387 -13.3387 -13.3386 -13.3386 -11.8194 -11.8194 -11.8193 -11.8193 -2.1470 -2.1470 -2.1462 -2.1462 0.2977 0.2977 0.3042 0.3042 2.0666 2.0666 2.0801 2.0801 3.0344 3.0344 3.0417 3.0417 4.8300 4.8300 4.8374 4.8374 4.8587 4.8587 4.8673 4.8673 15.6564 15.6564 15.6607 15.6607 16.7679 16.7679 16.7717 16.7717 k =-0.1227 0.1346 0.7423 ( 6848 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3382 -13.3382 -13.3381 -13.3381 -11.8219 -11.8219 -11.8218 -11.8218 -2.1238 -2.1238 -2.1229 -2.1229 0.2907 0.2907 0.2974 0.2974 2.0586 2.0586 2.0722 2.0722 3.0210 3.0210 3.0286 3.0286 4.8222 4.8222 4.8286 4.8286 4.8711 4.8711 4.8756 4.8756 15.6106 15.6106 15.6148 15.6148 16.7466 16.7466 16.7504 16.7505 k =-0.1321 0.1450 0.7423 ( 6846 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3378 -13.3378 -13.3376 -13.3376 -11.8245 -11.8245 -11.8244 -11.8244 -2.0992 -2.0992 -2.0983 -2.0983 0.2833 0.2833 0.2901 0.2901 2.0505 2.0505 2.0642 2.0642 3.0079 3.0079 3.0158 3.0158 4.8036 4.8036 4.8122 4.8122 4.8882 4.8882 4.8949 4.8949 15.5606 15.5606 15.5646 15.5646 16.7253 16.7253 16.7291 16.7291 k =-0.1416 0.1553 0.7423 ( 6844 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3373 -13.3373 -13.3372 -13.3372 -11.8273 -11.8273 -11.8272 -11.8272 -2.0734 -2.0734 -2.0724 -2.0724 0.2756 0.2756 0.2825 0.2825 2.0424 2.0424 2.0562 2.0562 2.9953 2.9953 3.0033 3.0033 4.7825 4.7825 4.7918 4.7918 4.9076 4.9076 4.9153 4.9153 15.5071 15.5071 15.5109 15.5109 16.7037 16.7037 16.7074 16.7074 k =-0.1510 0.1657 0.7423 ( 6832 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3368 -13.3368 -13.3366 -13.3366 -11.8302 -11.8302 -11.8301 -11.8301 -2.0465 -2.0465 -2.0454 -2.0454 0.2676 0.2676 0.2746 0.2746 2.0345 2.0345 2.0483 2.0483 2.9831 2.9831 2.9913 2.9913 4.7596 4.7596 4.7692 4.7692 4.9275 4.9275 4.9357 4.9357 15.4505 15.4505 15.4541 15.4541 16.6817 16.6817 16.6854 16.6854 k =-0.1605 0.1761 0.7423 ( 6822 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3362 -13.3362 -13.3361 -13.3361 -11.8332 -11.8332 -11.8331 -11.8330 -2.0186 -2.0186 -2.0174 -2.0174 0.2593 0.2593 0.2665 0.2665 2.0268 2.0268 2.0407 2.0407 2.9716 2.9716 2.9799 2.9799 4.7349 4.7349 4.7446 4.7446 4.9474 4.9474 4.9559 4.9559 15.3915 15.3915 15.3950 15.3950 16.6591 16.6591 16.6626 16.6626 k =-0.1699 0.1864 0.7423 ( 6822 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3356 -13.3356 -13.3355 -13.3355 -11.8363 -11.8363 -11.8361 -11.8361 -1.9898 -1.9898 -1.9886 -1.9886 0.2509 0.2510 0.2583 0.2583 2.0195 2.0195 2.0335 2.0335 2.9608 2.9608 2.9692 2.9692 4.7085 4.7085 4.7183 4.7183 4.9670 4.9670 4.9757 4.9757 15.3308 15.3308 15.3340 15.3340 16.6355 16.6355 16.6390 16.6390 k =-0.1793 0.1968 0.7423 ( 6822 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3351 -13.3351 -13.3349 -13.3349 -11.8394 -11.8394 -11.8393 -11.8393 -1.9604 -1.9604 -1.9590 -1.9590 0.2425 0.2425 0.2500 0.2500 2.0128 2.0128 2.0268 2.0268 2.9509 2.9509 2.9593 2.9593 4.6804 4.6804 4.6902 4.6902 4.9861 4.9861 4.9949 4.9949 15.2689 15.2689 15.2719 15.2719 16.6108 16.6108 16.6143 16.6143 k =-0.1888 0.2071 0.7423 ( 6818 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3345 -13.3345 -13.3343 -13.3343 -11.8427 -11.8427 -11.8426 -11.8426 -1.9304 -1.9304 -1.9290 -1.9290 0.2342 0.2342 0.2418 0.2418 2.0067 2.0067 2.0208 2.0208 2.9417 2.9417 2.9503 2.9503 4.6505 4.6505 4.6604 4.6604 5.0045 5.0045 5.0134 5.0134 15.2065 15.2065 15.2093 15.2093 16.5849 16.5849 16.5883 16.5883 k =-0.1982 0.2175 0.7423 ( 6830 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3338 -13.3338 -13.3337 -13.3337 -11.8460 -11.8460 -11.8459 -11.8459 -1.9001 -1.9001 -1.8985 -1.8985 0.2260 0.2260 0.2338 0.2338 2.0014 2.0014 2.0155 2.0155 2.9335 2.9335 2.9421 2.9421 4.6190 4.6190 4.6288 4.6288 5.0222 5.0222 5.0311 5.0311 15.1440 15.1440 15.1466 15.1466 16.5575 16.5575 16.5609 16.5609 k =-0.2077 0.2278 0.7423 ( 6822 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3332 -13.3332 -13.3331 -13.3331 -11.8493 -11.8493 -11.8492 -11.8492 -1.8696 -1.8696 -1.8680 -1.8679 0.2182 0.2182 0.2261 0.2261 1.9969 1.9970 2.0111 2.0111 2.9262 2.9262 2.9348 2.9348 4.5857 4.5857 4.5954 4.5954 5.0390 5.0390 5.0480 5.0480 15.0820 15.0820 15.0844 15.0844 16.5286 16.5286 16.5320 16.5320 k =-0.2077 0.2278 0.7423 ( 6822 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3332 -13.3332 -13.3331 -13.3331 -11.8493 -11.8493 -11.8492 -11.8492 -1.8696 -1.8696 -1.8680 -1.8679 0.2182 0.2182 0.2261 0.2261 1.9969 1.9970 2.0111 2.0111 2.9262 2.9262 2.9348 2.9348 4.5857 4.5857 4.5954 4.5954 5.0390 5.0390 5.0480 5.0480 15.0820 15.0820 15.0844 15.0844 16.5286 16.5286 16.5320 16.5320 k =-0.2143 0.2351 0.7324 ( 6818 PWs) bands (ev): -37.0265 -37.0265 -37.0255 -37.0255 -13.3570 -13.3569 -13.3085 -13.3084 -11.8556 -11.8555 -11.8476 -11.8474 -1.8716 -1.8715 -1.8231 -1.8230 0.2046 0.2069 0.2265 0.2284 1.9598 1.9710 2.0315 2.0430 2.9047 2.9129 2.9405 2.9488 4.5445 4.5518 4.5800 4.5874 5.0444 5.0530 5.0564 5.0647 14.9916 14.9924 15.0883 15.0891 16.4974 16.5001 16.5191 16.5219 k =-0.2209 0.2424 0.7226 ( 6816 PWs) bands (ev): -37.0271 -37.0271 -37.0250 -37.0250 -13.3799 -13.3798 -13.2847 -13.2846 -11.8617 -11.8616 -11.8456 -11.8454 -1.8750 -1.8749 -1.7772 -1.7770 0.1891 0.1912 0.2306 0.2320 1.9227 1.9337 2.0633 2.0748 2.8856 2.8937 2.9562 2.9645 4.5011 4.5083 4.5720 4.5795 5.0492 5.0581 5.0721 5.0803 14.9015 14.9022 15.0953 15.0961 16.4672 16.4698 16.5090 16.5117 k =-0.2276 0.2497 0.7127 ( 6810 PWs) bands (ev): -37.0275 -37.0275 -37.0245 -37.0245 -13.4019 -13.4018 -13.2618 -13.2618 -11.8675 -11.8674 -11.8434 -11.8432 -1.8788 -1.8788 -1.7311 -1.7310 0.1731 0.1748 0.2348 0.2355 1.8867 1.8974 2.0939 2.1052 2.8694 2.8773 2.9733 2.9816 4.4563 4.4633 4.5635 4.5710 5.0534 5.0624 5.0869 5.0948 14.8130 14.8135 15.1037 15.1043 16.4381 16.4406 16.4987 16.5015 k =-0.2342 0.2570 0.7028 ( 6812 PWs) bands (ev): -37.0280 -37.0280 -37.0240 -37.0240 -13.4229 -13.4228 -13.2400 -13.2399 -11.8731 -11.8730 -11.8410 -11.8408 -1.8833 -1.8832 -1.6851 -1.6849 0.1565 0.1578 0.2389 0.2392 1.8519 1.8624 2.1228 2.1339 2.8565 2.8642 2.9916 3.0000 4.4102 4.4171 4.5546 4.5621 5.0570 5.0660 5.1006 5.1081 14.7266 14.7271 15.1134 15.1139 16.4100 16.4125 16.4885 16.4913 k =-0.2409 0.2643 0.6930 ( 6814 PWs) bands (ev): -37.0285 -37.0285 -37.0236 -37.0236 -13.4429 -13.4428 -13.2192 -13.2192 -11.8784 -11.8783 -11.8384 -11.8383 -1.8882 -1.8881 -1.6391 -1.6389 0.1391 0.1402 0.2427 0.2435 1.8185 1.8287 2.1495 2.1604 2.8473 2.8547 3.0109 3.0193 4.3632 4.3699 4.5454 4.5528 5.0600 5.0689 5.1134 5.1205 14.6429 14.6432 15.1242 15.1246 16.3830 16.3854 16.4784 16.4812 k =-0.2475 0.2716 0.6831 ( 6812 PWs) bands (ev): -37.0289 -37.0289 -37.0231 -37.0231 -13.4619 -13.4618 -13.1996 -13.1995 -11.8835 -11.8833 -11.8357 -11.8356 -1.8935 -1.8934 -1.5933 -1.5932 0.1208 0.1218 0.2466 0.2481 1.7866 1.7966 2.1737 2.1842 2.8423 2.8493 3.0309 3.0393 4.3153 4.3218 4.5358 4.5432 5.0624 5.0711 5.1251 5.1318 14.5622 14.5623 15.1360 15.1362 16.3569 16.3593 16.4685 16.4714 k =-0.2542 0.2789 0.6732 ( 6812 PWs) bands (ev): -37.0293 -37.0293 -37.0227 -37.0227 -13.4798 -13.4797 -13.1810 -13.1809 -11.8883 -11.8881 -11.8329 -11.8327 -1.8992 -1.8991 -1.5479 -1.5477 0.1016 0.1027 0.2510 0.2530 1.7563 1.7660 2.1949 2.2049 2.8419 2.8484 3.0515 3.0599 4.2667 4.2730 4.5261 4.5334 5.0641 5.0727 5.1359 5.1423 14.4848 14.4849 15.1485 15.1487 16.3319 16.3343 16.4590 16.4619 k =-0.2608 0.2862 0.6634 ( 6816 PWs) bands (ev): -37.0297 -37.0297 -37.0224 -37.0224 -13.4967 -13.4966 -13.1636 -13.1635 -11.8928 -11.8926 -11.8300 -11.8299 -1.9052 -1.9050 -1.5030 -1.5028 0.0814 0.0828 0.2557 0.2583 1.7275 1.7370 2.2129 2.2224 2.8462 2.8521 3.0723 3.0808 4.2176 4.2237 4.5163 4.5235 5.0652 5.0736 5.1459 5.1518 14.4110 14.4111 15.1617 15.1618 16.3080 16.3103 16.4498 16.4528 k =-0.2675 0.2935 0.6535 ( 6818 PWs) bands (ev): -37.0301 -37.0301 -37.0220 -37.0220 -13.5125 -13.5125 -13.1473 -13.1472 -11.8970 -11.8968 -11.8271 -11.8269 -1.9113 -1.9112 -1.4589 -1.4586 0.0604 0.0622 0.2609 0.2641 1.7005 1.7096 2.2276 2.2364 2.8554 2.8606 3.0932 3.1018 4.1682 4.1741 4.5065 4.5137 5.0656 5.0739 5.1551 5.1605 14.3412 14.3414 15.1752 15.1754 16.2852 16.2875 16.4411 16.4441 k =-0.2741 0.3007 0.6436 ( 6816 PWs) bands (ev): -37.0304 -37.0304 -37.0217 -37.0217 -13.5272 -13.5272 -13.1322 -13.1321 -11.9009 -11.9008 -11.8241 -11.8240 -1.9176 -1.9174 -1.4156 -1.4153 0.0386 0.0408 0.2665 0.2702 1.6751 1.6841 2.2390 2.2471 2.8692 2.8737 3.1139 3.1227 4.1186 4.1244 4.4968 4.5039 5.0656 5.0737 5.1634 5.1685 14.2755 14.2758 15.1890 15.1892 16.2636 16.2659 16.4329 16.4360 k =-0.2807 0.3080 0.6338 ( 6811 PWs) bands (ev): -37.0307 -37.0307 -37.0214 -37.0214 -13.5409 -13.5408 -13.1183 -13.1182 -11.9046 -11.9044 -11.8212 -11.8211 -1.9238 -1.9236 -1.3735 -1.3731 0.0163 0.0189 0.2724 0.2765 1.6516 1.6603 2.2473 2.2546 2.8874 2.8913 3.1343 3.1432 4.0692 4.0747 4.4874 4.4945 5.0650 5.0730 5.1710 5.1757 14.2144 14.2147 15.2029 15.2031 16.2433 16.2456 16.4252 16.4283 k =-0.2874 0.3153 0.6239 ( 6815 PWs) bands (ev): -37.0310 -37.0310 -37.0211 -37.0211 -13.5533 -13.5533 -13.1056 -13.1055 -11.9079 -11.9078 -11.8184 -11.8183 -1.9299 -1.9297 -1.3328 -1.3323 -0.0063 -0.0034 0.2786 0.2831 1.6298 1.6383 2.2528 2.2594 2.9093 2.9127 3.1540 3.1631 4.0202 4.0255 4.4783 4.4853 5.0641 5.0719 5.1779 5.1821 14.1578 14.1583 15.2165 15.2168 16.2243 16.2265 16.4181 16.4213 k =-0.2940 0.3226 0.6141 ( 6817 PWs) bands (ev): -37.0313 -37.0313 -37.0208 -37.0208 -13.5646 -13.5646 -13.0941 -13.0940 -11.9110 -11.9108 -11.8157 -11.8156 -1.9358 -1.9357 -1.2938 -1.2933 -0.0289 -0.0257 0.2849 0.2897 1.6100 1.6182 2.2561 2.2619 2.9343 2.9374 3.1729 3.1822 3.9718 3.9769 4.4696 4.4766 5.0629 5.0705 5.1841 5.1879 14.1061 14.1067 15.2298 15.2301 16.2067 16.2089 16.4116 16.4148 k =-0.3007 0.3299 0.6042 ( 6817 PWs) bands (ev): -37.0315 -37.0315 -37.0206 -37.0206 -13.5748 -13.5747 -13.0838 -13.0838 -11.9137 -11.9135 -11.8132 -11.8130 -1.9414 -1.9413 -1.2570 -1.2563 -0.0513 -0.0477 0.2911 0.2961 1.5920 1.6000 2.2576 2.2627 2.9614 2.9645 3.1907 3.2004 3.9245 3.9293 4.4615 4.4685 5.0614 5.0689 5.1896 5.1931 14.0594 14.0600 15.2425 15.2428 16.1907 16.1928 16.4058 16.4090 k =-0.3073 0.3372 0.5943 ( 6823 PWs) bands (ev): -37.0318 -37.0318 -37.0204 -37.0204 -13.5838 -13.5837 -13.0748 -13.0747 -11.9161 -11.9160 -11.8108 -11.8107 -1.9466 -1.9465 -1.2226 -1.2219 -0.0729 -0.0689 0.2971 0.3024 1.5761 1.5838 2.2577 2.2622 2.9898 2.9933 3.2074 3.2175 3.8788 3.8832 4.4541 4.4610 5.0598 5.0672 5.1945 5.1975 14.0179 14.0185 15.2543 15.2547 16.1762 16.1782 16.4005 16.4038 k =-0.3140 0.3445 0.5845 ( 6824 PWs) bands (ev): -37.0320 -37.0320 -37.0202 -37.0202 -13.5916 -13.5916 -13.0669 -13.0668 -11.9182 -11.9181 -11.8087 -11.8085 -1.9513 -1.9511 -1.1913 -1.1904 -0.0932 -0.0890 0.3027 0.3082 1.5621 1.5696 2.2570 2.2609 3.0186 3.0226 3.2227 3.2334 3.8351 3.8393 4.4474 4.4542 5.0582 5.0655 5.1987 5.2014 13.9816 13.9823 15.2651 15.2655 16.1634 16.1653 16.3959 16.3992 k =-0.3206 0.3518 0.5746 ( 6822 PWs) bands (ev): -37.0321 -37.0321 -37.0201 -37.0201 -13.5983 -13.5982 -13.0603 -13.0602 -11.9200 -11.9199 -11.8068 -11.8067 -1.9554 -1.9553 -1.1634 -1.1624 -0.1119 -0.1074 0.3078 0.3135 1.5502 1.5575 2.2557 2.2592 3.0465 3.0512 3.2366 3.2478 3.7943 3.7982 4.4415 4.4484 5.0567 5.0638 5.2022 5.2046 13.9507 13.9515 15.2747 15.2751 16.1523 16.1542 16.3920 16.3954 k =-0.3272 0.3591 0.5647 ( 6822 PWs) bands (ev): -37.0322 -37.0322 -37.0199 -37.0199 -13.6037 -13.6036 -13.0549 -13.0548 -11.9215 -11.9213 -11.8053 -11.8051 -1.9589 -1.9587 -1.1396 -1.1385 -0.1282 -0.1235 0.3122 0.3180 1.5403 1.5475 2.2543 2.2574 3.0724 3.0777 3.2487 3.2607 3.7575 3.7610 4.4366 4.4434 5.0553 5.0623 5.2051 5.2073 13.9253 13.9261 15.2829 15.2832 16.1432 16.1450 16.3888 16.3922 k =-0.3339 0.3664 0.5549 ( 6825 PWs) bands (ev): -37.0323 -37.0323 -37.0199 -37.0199 -13.6079 -13.6079 -13.0506 -13.0506 -11.9226 -11.9225 -11.8040 -11.8039 -1.9617 -1.9615 -1.1203 -1.1191 -0.1417 -0.1368 0.3158 0.3216 1.5327 1.5396 2.2530 2.2557 3.0948 3.1008 3.2591 3.2718 3.7260 3.7292 4.4327 4.4395 5.0541 5.0611 5.2074 5.2093 13.9055 13.9063 15.2894 15.2897 16.1360 16.1377 16.3863 16.3897 k =-0.3405 0.3737 0.5450 ( 6823 PWs) bands (ev): -37.0324 -37.0324 -37.0198 -37.0198 -13.6110 -13.6109 -13.0476 -13.0476 -11.9234 -11.9233 -11.8031 -11.8030 -1.9637 -1.9635 -1.1061 -1.1049 -0.1517 -0.1467 0.3184 0.3243 1.5272 1.5340 2.2519 2.2544 3.1121 3.1188 3.2671 3.2806 3.7014 3.7045 4.4298 4.4367 5.0533 5.0602 5.2090 5.2107 13.8913 13.8921 15.2942 15.2944 16.1308 16.1324 16.3845 16.3879 k =-0.3472 0.3809 0.5351 ( 6831 PWs) bands (ev): -37.0325 -37.0325 -37.0198 -37.0198 -13.6128 -13.6127 -13.0458 -13.0457 -11.9239 -11.9238 -11.8026 -11.8024 -1.9649 -1.9647 -1.0974 -1.0961 -0.1579 -0.1528 0.3200 0.3260 1.5238 1.5306 2.2513 2.2535 3.1232 3.1302 3.2724 3.2864 3.6857 3.6885 4.4281 4.4349 5.0527 5.0596 5.2100 5.2116 13.8827 13.8836 15.2971 15.2972 16.1276 16.1292 16.3834 16.3868 k =-0.3538 0.3882 0.5253 ( 6829 PWs) bands (ev): -37.0325 -37.0325 -37.0197 -37.0197 -13.6134 -13.6133 -13.0452 -13.0451 -11.9241 -11.9239 -11.8024 -11.8022 -1.9653 -1.9651 -1.0945 -1.0932 -0.1601 -0.1549 0.3206 0.3266 1.5227 1.5295 2.2510 2.2532 3.1269 3.1341 3.2742 3.2885 3.6802 3.6830 4.4275 4.4343 5.0525 5.0594 5.2103 5.2119 13.8799 13.8807 15.2982 15.2982 16.1266 16.1281 16.3830 16.3865 k =-0.3538 0.3882 0.5253 ( 6829 PWs) bands (ev): -37.0325 -37.0325 -37.0197 -37.0197 -13.6134 -13.6133 -13.0452 -13.0451 -11.9241 -11.9239 -11.8024 -11.8022 -1.9653 -1.9651 -1.0945 -1.0932 -0.1601 -0.1549 0.3206 0.3266 1.5227 1.5295 2.2510 2.2532 3.1269 3.1341 3.2742 3.2885 3.6802 3.6830 4.4275 4.4343 5.0525 5.0594 5.2103 5.2119 13.8799 13.8807 15.2982 15.2982 16.1266 16.1281 16.3830 16.3865 k =-0.3472 0.3809 0.5154 ( 6833 PWs) bands (ev): -37.0330 -37.0330 -37.0192 -37.0192 -13.6392 -13.6391 -13.0210 -13.0209 -11.9224 -11.9223 -11.7923 -11.7922 -2.0067 -2.0065 -1.0777 -1.0763 -0.1953 -0.1902 0.3207 0.3268 1.4896 1.4964 2.2420 2.2442 3.1609 3.1689 3.2947 3.3098 3.6970 3.6998 4.4842 4.4911 5.0394 5.0467 5.2033 5.2046 13.8733 13.8741 15.3711 15.3711 16.1836 16.1853 16.4365 16.4398 k =-0.3405 0.3736 0.5055 ( 6837 PWs) bands (ev): -37.0336 -37.0336 -37.0186 -37.0186 -13.6658 -13.6657 -12.9959 -12.9958 -11.9205 -11.9203 -11.7820 -11.7818 -2.0487 -2.0485 -1.0623 -1.0609 -0.2309 -0.2258 0.3206 0.3269 1.4588 1.4656 2.2369 2.2390 3.1947 3.2034 3.3168 3.3326 3.7123 3.7151 4.5383 4.5452 5.0254 5.0332 5.1949 5.1959 13.8695 13.8702 15.4428 15.4429 16.2424 16.2441 16.4895 16.4928 k =-0.3338 0.3663 0.4955 ( 6829 PWs) bands (ev): -37.0342 -37.0342 -37.0180 -37.0180 -13.6931 -13.6930 -12.9700 -12.9699 -11.9183 -11.9181 -11.7714 -11.7712 -2.0911 -2.0909 -1.0485 -1.0470 -0.2667 -0.2617 0.3204 0.3268 1.4302 1.4370 2.2358 2.2379 3.2278 3.2369 3.3410 3.3573 3.7262 3.7289 4.5897 4.5966 5.0106 5.0188 5.1851 5.1858 13.8685 13.8692 15.5122 15.5122 16.3027 16.3046 16.5421 16.5453 k =-0.3271 0.3589 0.4856 ( 6829 PWs) bands (ev): -37.0348 -37.0348 -37.0174 -37.0174 -13.7210 -13.7210 -12.9433 -12.9432 -11.9157 -11.9156 -11.7604 -11.7603 -2.1339 -2.1338 -1.0363 -1.0347 -0.3027 -0.2977 0.3201 0.3266 1.4037 1.4106 2.2389 2.2409 3.2595 3.2688 3.3679 3.3843 3.7387 3.7414 4.6382 4.6451 4.9948 5.0036 5.1739 5.1744 13.8703 13.8709 15.5779 15.5780 16.3646 16.3664 16.5943 16.5974 k =-0.3204 0.3516 0.4757 ( 6835 PWs) bands (ev): -37.0354 -37.0354 -37.0168 -37.0168 -13.7496 -13.7495 -12.9159 -12.9158 -11.9129 -11.9127 -11.7493 -11.7491 -2.1770 -2.1768 -1.0258 -1.0242 -0.3388 -0.3338 0.3195 0.3261 1.3792 1.3861 2.2463 2.2482 3.2894 3.2982 3.3982 3.4140 3.7498 3.7524 4.6837 4.6905 4.9782 4.9874 5.1615 5.1616 13.8750 13.8755 15.6384 15.6385 16.4277 16.4296 16.6464 16.6493 k =-0.3138 0.3443 0.4658 ( 6839 PWs) bands (ev): -37.0360 -37.0360 -37.0162 -37.0162 -13.7786 -13.7785 -12.8877 -12.8877 -11.9098 -11.9096 -11.7379 -11.7377 -2.2202 -2.2200 -1.0171 -1.0153 -0.3748 -0.3699 0.3188 0.3255 1.3566 1.3635 2.2581 2.2599 3.3171 3.3248 3.4319 3.4467 3.7595 3.7621 4.7260 4.7329 4.9606 4.9703 5.1477 5.1478 13.8824 13.8829 15.6918 15.6919 16.4918 16.4939 16.6986 16.7014 k =-0.3071 0.3370 0.4559 ( 6835 PWs) bands (ev): -37.0366 -37.0366 -37.0156 -37.0156 -13.8081 -13.8080 -12.8589 -12.8589 -11.9065 -11.9063 -11.7263 -11.7261 -2.2635 -2.2633 -1.0100 -1.0083 -0.4107 -0.4059 0.3177 0.3245 1.3359 1.3427 2.2743 2.2760 3.3425 3.3488 3.4688 3.4821 3.7679 3.7705 4.7652 4.7721 4.9421 4.9523 5.1326 5.1331 13.8925 13.8930 15.7360 15.7361 16.5569 16.5590 16.7514 16.7541 k =-0.3004 0.3296 0.4460 ( 6833 PWs) bands (ev): -37.0373 -37.0373 -37.0150 -37.0150 -13.8380 -13.8379 -12.8295 -12.8294 -11.9028 -11.9027 -11.7145 -11.7144 -2.3067 -2.3065 -1.0047 -1.0029 -0.4464 -0.4417 0.3164 0.3233 1.3169 1.3236 2.2949 2.2964 3.3656 3.3705 3.5082 3.5201 3.7751 3.7776 4.8010 4.8079 4.9227 4.9334 5.1165 5.1174 13.9053 13.9057 15.7689 15.7691 16.6227 16.6249 16.8054 16.8079 k =-0.2937 0.3223 0.4361 ( 6831 PWs) bands (ev): -37.0379 -37.0379 -37.0143 -37.0143 -13.8682 -13.8681 -12.7995 -12.7994 -11.8990 -11.8988 -11.7026 -11.7024 -2.3498 -2.3496 -1.0009 -0.9991 -0.4819 -0.4773 0.3147 0.3217 1.2996 1.3062 2.3198 2.3211 3.3869 3.3905 3.5495 3.5601 3.7811 3.7836 4.8335 4.8402 4.9026 4.9139 5.0996 5.1007 13.9205 13.9209 15.7884 15.7885 16.6890 16.6912 16.8611 16.8635 k =-0.2871 0.3150 0.4262 ( 6831 PWs) bands (ev): -37.0386 -37.0386 -37.0137 -37.0137 -13.8987 -13.8986 -12.7690 -12.7689 -11.8949 -11.8948 -11.6905 -11.6903 -2.3927 -2.3924 -0.9988 -0.9969 -0.5170 -0.5125 0.3127 0.3197 1.2839 1.2904 2.3487 2.3500 3.4064 3.4089 3.5922 3.6018 3.7860 3.7884 4.8624 4.8686 4.8818 4.8941 5.0819 5.0833 13.9381 13.9385 15.7927 15.7929 16.7554 16.7577 16.9190 16.9212 k =-0.2804 0.3077 0.4163 ( 6825 PWs) bands (ev): -37.0393 -37.0393 -37.0130 -37.0130 -13.9294 -13.9293 -12.7379 -12.7378 -11.8907 -11.8905 -11.6782 -11.6780 -2.4352 -2.4349 -0.9980 -0.9961 -0.5517 -0.5472 0.3103 0.3173 1.2697 1.2762 2.3817 2.3828 3.4242 3.4259 3.6360 3.6446 3.7899 3.7923 4.8604 4.8715 4.8880 4.8957 5.0635 5.0653 13.9578 13.9582 15.7809 15.7810 16.8218 16.8242 16.9792 16.9813 k =-0.2737 0.3003 0.4063 ( 6827 PWs) bands (ev): -37.0400 -37.0400 -37.0123 -37.0123 -13.9602 -13.9601 -12.7064 -12.7063 -11.8862 -11.8860 -11.6659 -11.6657 -2.4774 -2.4771 -0.9986 -0.9967 -0.5859 -0.5815 0.3074 0.3145 1.2571 1.2635 2.4183 2.4193 3.4406 3.4415 3.6805 3.6885 3.7929 3.7952 4.8387 4.8507 4.9098 4.9170 5.0446 5.0467 13.9794 13.9798 15.7527 15.7528 16.8879 16.8904 17.0414 17.0433 k =-0.2670 0.2930 0.3964 ( 6829 PWs) bands (ev): -37.0407 -37.0407 -37.0117 -37.0117 -13.9910 -13.9910 -12.6745 -12.6744 -11.8816 -11.8814 -11.6534 -11.6533 -2.5190 -2.5188 -1.0003 -0.9984 -0.6195 -0.6153 0.3039 0.3111 1.2460 1.2522 2.4584 2.4592 3.4553 3.4557 3.7256 3.7330 3.7950 3.7973 4.8168 4.8293 4.9281 4.9352 5.0253 5.0276 14.0027 14.0030 15.7087 15.7088 16.9533 16.9558 17.1044 17.1062 k =-0.2604 0.2857 0.3865 ( 6837 PWs) bands (ev): -37.0414 -37.0414 -37.0110 -37.0110 -14.0219 -14.0218 -12.6422 -12.6421 -11.8768 -11.8766 -11.6409 -11.6408 -2.5602 -2.5599 -1.0031 -1.0012 -0.6526 -0.6484 0.3000 0.3071 1.2364 1.2425 2.5017 2.5023 3.4685 3.4685 3.7709 3.7778 3.7966 3.7989 4.7950 4.8079 4.9427 4.9497 5.0058 5.0082 14.0273 14.0276 15.6504 15.6504 17.0178 17.0204 17.1656 17.1673 k =-0.2537 0.2784 0.3766 ( 6845 PWs) bands (ev): -37.0421 -37.0421 -37.0103 -37.0103 -14.0527 -14.0527 -12.6097 -12.6096 -11.8719 -11.8718 -11.6284 -11.6282 -2.6007 -2.6004 -1.0068 -1.0049 -0.6849 -0.6808 0.2954 0.3026 1.2282 1.2343 2.5477 2.5481 3.4796 3.4800 3.7975 3.7993 3.8165 3.8235 4.7736 4.7869 4.9534 4.9602 4.9863 4.9888 14.0528 14.0531 15.5795 15.5796 17.0810 17.0836 17.2191 17.2206 k =-0.2470 0.2710 0.3667 ( 6845 PWs) bands (ev): -37.0427 -37.0427 -37.0097 -37.0097 -14.0835 -14.0834 -12.5769 -12.5768 -11.8669 -11.8668 -11.6159 -11.6157 -2.6405 -2.6403 -1.0112 -1.0093 -0.7165 -0.7124 0.2901 0.2973 1.2216 1.2275 2.5960 2.5963 3.4890 3.4896 3.7981 3.8000 3.8619 3.8686 4.7530 4.7666 4.9586 4.9616 4.9712 4.9723 14.0789 14.0792 15.4981 15.4982 17.1425 17.1453 17.2529 17.2538 k =-0.2403 0.2637 0.3568 ( 6841 PWs) bands (ev): -37.0434 -37.0434 -37.0090 -37.0090 -14.1140 -14.1139 -12.5439 -12.5438 -11.8618 -11.8617 -11.6033 -11.6031 -2.6796 -2.6793 -1.0163 -1.0144 -0.7472 -0.7433 0.2841 0.2913 1.2165 1.2223 2.6464 2.6465 3.4966 3.4973 3.7986 3.8004 3.9071 3.9137 4.7334 4.7473 4.9439 4.9461 4.9676 4.9737 14.1051 14.1055 15.4080 15.4082 17.2020 17.2049 17.2549 17.2551 k =-0.2337 0.2564 0.3469 ( 6847 PWs) bands (ev): -37.0441 -37.0441 -37.0083 -37.0083 -14.1443 -14.1442 -12.5107 -12.5106 -11.8567 -11.8565 -11.5908 -11.5906 -2.7179 -2.7176 -1.0218 -1.0200 -0.7771 -0.7733 0.2772 0.2844 1.2129 1.2186 2.6981 2.6982 3.5022 3.5030 3.7992 3.8009 3.9518 3.9583 4.7153 4.7295 4.9238 4.9266 4.9675 4.9739 14.1310 14.1313 15.3112 15.3114 17.2308 17.2314 17.2596 17.2624 k =-0.2270 0.2491 0.3370 ( 6851 PWs) bands (ev): -37.0448 -37.0448 -37.0076 -37.0076 -14.1743 -14.1743 -12.4775 -12.4774 -11.8515 -11.8513 -11.5783 -11.5781 -2.7554 -2.7551 -1.0276 -1.0258 -0.8061 -0.8023 0.2695 0.2767 1.2108 1.2164 2.7507 2.7510 3.5057 3.5065 3.8002 3.8018 3.9958 4.0024 4.6990 4.7135 4.9035 4.9065 4.9645 4.9710 14.1559 14.1562 15.2093 15.2095 17.1961 17.1968 17.3130 17.3163 k =-0.2203 0.2417 0.3271 ( 6847 PWs) bands (ev): -37.0455 -37.0455 -37.0070 -37.0070 -14.2041 -14.2040 -12.4443 -12.4442 -11.8462 -11.8461 -11.5659 -11.5657 -2.7919 -2.7916 -1.0337 -1.0320 -0.8341 -0.8304 0.2609 0.2681 1.2102 1.2157 2.8038 2.8042 3.5070 3.5079 3.8020 3.8034 4.0388 4.0455 4.6850 4.6997 4.8833 4.8864 4.9583 4.9648 14.1794 14.1797 15.1035 15.1038 17.1578 17.1586 17.3549 17.3605 k =-0.2136 0.2344 0.3171 ( 6849 PWs) bands (ev): -37.0462 -37.0462 -37.0063 -37.0063 -14.2334 -14.2333 -12.4111 -12.4110 -11.8410 -11.8408 -11.5535 -11.5534 -2.8275 -2.8272 -1.0400 -1.0382 -0.8611 -0.8574 0.2513 0.2584 1.2111 1.2165 2.8566 2.8572 3.5062 3.5070 3.8049 3.8061 4.0805 4.0873 4.6735 4.6884 4.8632 4.8665 4.9491 4.9554 14.2008 14.2011 14.9952 14.9955 17.1198 17.1207 17.3527 17.3584 k =-0.2070 0.2271 0.3072 ( 6835 PWs) bands (ev): -37.0469 -37.0469 -37.0057 -37.0057 -14.2623 -14.2622 -12.3780 -12.3779 -11.8357 -11.8356 -11.5413 -11.5412 -2.8621 -2.8618 -1.0462 -1.0445 -0.8870 -0.8834 0.2406 0.2477 1.2136 1.2188 2.9086 2.9093 3.5032 3.5039 3.8093 3.8104 4.1205 4.1274 4.6650 4.6801 4.8435 4.8468 4.9367 4.9430 14.2195 14.2198 14.8853 14.8856 17.0841 17.0850 17.3384 17.3436 k =-0.2003 0.2198 0.2973 ( 6837 PWs) bands (ev): -37.0476 -37.0476 -37.0050 -37.0050 -14.2907 -14.2906 -12.3451 -12.3450 -11.8305 -11.8304 -11.5292 -11.5291 -2.8956 -2.8953 -1.0524 -1.0507 -0.9117 -0.9082 0.2288 0.2359 1.2175 1.2227 2.9589 2.9599 3.4980 3.4987 3.8159 3.8168 4.1585 4.1655 4.6599 4.6750 4.8242 4.8276 4.9215 4.9276 14.2350 14.2353 14.7748 14.7751 17.0521 17.0530 17.3248 17.3298 k =-0.1936 0.2124 0.2874 ( 6829 PWs) bands (ev): -37.0482 -37.0482 -37.0044 -37.0044 -14.3185 -14.3185 -12.3124 -12.3123 -11.8253 -11.8252 -11.5173 -11.5172 -2.9281 -2.9278 -1.0584 -1.0568 -0.9353 -0.9318 0.2159 0.2229 1.2229 1.2280 3.0069 3.0080 3.4909 3.4914 3.8252 3.8258 4.1939 4.2008 4.6585 4.6734 4.8057 4.8090 4.9034 4.9095 14.2465 14.2468 14.6644 14.6647 17.0247 17.0257 17.3130 17.3178 k =-0.1869 0.2051 0.2775 ( 6829 PWs) bands (ev): -37.0489 -37.0489 -37.0038 -37.0038 -14.3459 -14.3458 -12.2800 -12.2798 -11.8202 -11.8201 -11.5055 -11.5054 -2.9595 -2.9592 -1.0643 -1.0627 -0.9577 -0.9542 0.2017 0.2087 1.2298 1.2348 3.0516 3.0529 3.4819 3.4824 3.8378 3.8382 4.2261 4.2329 4.6612 4.6755 4.7882 4.7912 4.8828 4.8887 14.2533 14.2535 14.5550 14.5554 17.0026 17.0037 17.3029 17.3077 k =-0.1803 0.1978 0.2676 ( 6819 PWs) bands (ev): -37.0495 -37.0495 -37.0032 -37.0032 -14.3726 -14.3725 -12.2479 -12.2478 -11.8151 -11.8150 -11.4940 -11.4939 -2.9897 -2.9894 -1.0698 -1.0683 -0.9788 -0.9754 0.1864 0.1932 1.2381 1.2430 3.0923 3.0938 3.4713 3.4717 3.8543 3.8545 4.2548 4.2611 4.6681 4.6813 4.7721 4.7744 4.8597 4.8655 14.2540 14.2542 14.4483 14.4487 16.9864 16.9876 17.2947 17.2994 k =-0.1736 0.1905 0.2577 ( 6815 PWs) bands (ev): -37.0502 -37.0502 -37.0026 -37.0026 -14.3986 -14.3986 -12.2163 -12.2161 -11.8102 -11.8100 -11.4827 -11.4825 -3.0188 -3.0185 -1.0751 -1.0736 -0.9986 -0.9952 0.1698 0.1765 1.2478 1.2526 3.1284 3.1300 3.4594 3.4597 3.8751 3.8753 4.2792 4.2849 4.6795 4.6903 4.7583 4.7591 4.8344 4.8400 14.2438 14.2439 14.3491 14.3497 16.9764 16.9778 17.2881 17.2927 k =-0.1669 0.1831 0.2478 ( 6817 PWs) bands (ev): -37.0508 -37.0508 -37.0020 -37.0020 -14.4240 -14.4239 -12.1851 -12.1850 -11.8053 -11.8052 -11.4716 -11.4714 -3.0468 -3.0465 -1.0800 -1.0786 -1.0170 -1.0137 0.1519 0.1585 1.2588 1.2635 3.1593 3.1611 3.4465 3.4467 3.9005 3.9009 4.2990 4.3039 4.6950 4.7008 4.7453 4.7486 4.8070 4.8125 14.1981 14.1981 14.2825 14.2831 16.9728 16.9743 17.2832 17.2876 k =-0.1602 0.1758 0.2379 ( 6819 PWs) bands (ev): -37.0514 -37.0514 -37.0014 -37.0014 -14.4486 -14.4486 -12.1545 -12.1544 -11.8005 -11.8004 -11.4607 -11.4606 -3.0735 -3.0732 -1.0845 -1.0832 -1.0342 -1.0309 0.1327 0.1393 1.2711 1.2757 3.1849 3.1867 3.4328 3.4329 3.9306 3.9312 4.3141 4.3179 4.7073 4.7139 4.7341 4.7487 4.7779 4.7832 14.1091 14.1092 14.2565 14.2569 16.9755 16.9771 17.2797 17.2840 k =-0.1535 0.1685 0.2280 ( 6823 PWs) bands (ev): -37.0520 -37.0520 -37.0009 -37.0009 -14.4725 -14.4725 -12.1245 -12.1244 -11.7959 -11.7958 -11.4502 -11.4500 -3.0991 -3.0988 -1.0886 -1.0875 -1.0499 -1.0466 0.1124 0.1188 1.2846 1.2892 3.2050 3.2069 3.4186 3.4187 3.9653 3.9660 4.3243 4.3269 4.7057 4.7209 4.7400 4.7478 4.7522 4.7624 14.0113 14.0115 14.2370 14.2373 16.9841 16.9859 17.2775 17.2817 k =-0.1469 0.1612 0.2180 ( 6835 PWs) bands (ev): -37.0526 -37.0526 -37.0003 -37.0003 -14.4956 -14.4956 -12.0952 -12.0951 -11.7914 -11.7913 -11.4399 -11.4398 -3.1234 -3.1232 -1.0923 -1.0914 -1.0642 -1.0608 0.0908 0.0970 1.2993 1.3037 3.2201 3.2220 3.4043 3.4044 4.0039 4.0048 4.3297 4.3312 4.7005 4.7106 4.7190 4.7207 4.7656 4.7840 13.9138 13.9140 14.2155 14.2157 16.9984 17.0003 17.2766 17.2807 k =-0.1402 0.1538 0.2081 ( 6843 PWs) bands (ev): -37.0531 -37.0531 -36.9998 -36.9998 -14.5179 -14.5178 -12.0666 -12.0665 -11.7870 -11.7869 -11.4300 -11.4299 -3.1466 -3.1463 -1.0956 -1.0950 -1.0771 -1.0736 0.0680 0.0742 1.3150 1.3193 3.2307 3.2326 3.3901 3.3901 4.0458 4.0469 4.3307 4.3312 4.6810 4.6845 4.6996 4.7104 4.7937 4.8096 13.8184 13.8187 14.1908 14.1909 17.0177 17.0197 17.2768 17.2808 k =-0.1335 0.1465 0.1982 ( 6835 PWs) bands (ev): -37.0537 -37.0537 -36.9993 -36.9993 -14.5393 -14.5393 -12.0389 -12.0388 -11.7828 -11.7827 -11.4204 -11.4203 -3.1686 -3.1683 -1.0986 -1.0984 -1.0885 -1.0846 0.0442 0.0502 1.3316 1.3359 3.2373 3.2392 3.3763 3.3763 4.0900 4.0913 4.3273 4.3278 4.6476 4.6517 4.6963 4.7072 4.8234 4.8374 13.7259 13.7261 14.1628 14.1630 17.0413 17.0434 17.2780 17.2819 k =-0.1268 0.1392 0.1883 ( 6847 PWs) bands (ev): -37.0542 -37.0542 -36.9988 -36.9988 -14.5599 -14.5598 -12.0120 -12.0119 -11.7788 -11.7787 -11.4111 -11.4110 -3.1893 -3.1891 -1.1022 -1.1015 -1.0982 -1.0935 0.0194 0.0253 1.3491 1.3532 3.2406 3.2423 3.3630 3.3630 4.1357 4.1372 4.3202 4.3213 4.6139 4.6177 4.6960 4.7062 4.8540 4.8665 13.6365 13.6368 14.1321 14.1322 17.0683 17.0706 17.2801 17.2838 k =-0.1202 0.1319 0.1784 ( 6851 PWs) bands (ev): -37.0547 -37.0547 -36.9984 -36.9984 -14.5795 -14.5795 -11.9861 -11.9860 -11.7749 -11.7748 -11.4022 -11.4021 -3.2089 -3.2086 -1.1077 -1.1075 -1.1027 -1.0990 -0.0062 -0.0006 1.3674 1.3713 3.2411 3.2428 3.3504 3.3504 4.1816 4.1834 4.3104 4.3120 4.5805 4.5839 4.6976 4.7072 4.8849 4.8961 13.5506 13.5508 14.0990 14.0991 17.0979 17.1002 17.2830 17.2866 k =-0.1135 0.1245 0.1685 ( 6861 PWs) bands (ev): -37.0552 -37.0552 -36.9979 -36.9979 -14.5982 -14.5982 -11.9612 -11.9611 -11.7712 -11.7711 -11.3937 -11.3936 -3.2272 -3.2270 -1.1147 -1.1135 -1.1046 -1.1020 -0.0326 -0.0271 1.3861 1.3900 3.2394 3.2410 3.3388 3.3388 4.2263 4.2284 4.2983 4.3004 4.5487 4.5514 4.7009 4.7098 4.9157 4.9258 13.4684 13.4686 14.0640 14.0641 17.1290 17.1314 17.2865 17.2899 k =-0.1068 0.1172 0.1586 ( 6857 PWs) bands (ev): -37.0557 -37.0557 -36.9975 -36.9975 -14.6160 -14.6159 -11.9373 -11.9372 -11.7677 -11.7676 -11.3856 -11.3855 -3.2444 -3.2442 -1.1205 -1.1190 -1.1060 -1.1039 -0.0595 -0.0543 1.4054 1.4091 3.2360 3.2375 3.3281 3.3281 4.2676 4.2699 4.2847 4.2875 4.5201 4.5220 4.7055 4.7138 4.9461 4.9553 13.3900 13.3902 14.0277 14.0278 17.1605 17.1629 17.2906 17.2938 k =-0.1001 0.1099 0.1487 ( 6859 PWs) bands (ev): -37.0561 -37.0561 -36.9971 -36.9971 -14.6328 -14.6327 -11.9146 -11.9145 -11.7643 -11.7643 -11.3779 -11.3778 -3.2604 -3.2602 -1.1250 -1.1233 -1.1071 -1.1052 -0.0868 -0.0818 1.4249 1.4285 3.2313 3.2327 3.3185 3.3185 4.2697 4.2715 4.3016 4.3059 4.4985 4.4991 4.7110 4.7187 4.9758 4.9840 13.3157 13.3159 13.9907 13.9907 17.1915 17.1938 17.2951 17.2982 k =-0.0935 0.1026 0.1388 ( 6859 PWs) bands (ev): -37.0565 -37.0565 -36.9967 -36.9967 -14.6486 -14.6485 -11.8930 -11.8929 -11.7612 -11.7611 -11.3707 -11.3706 -3.2753 -3.2751 -1.1282 -1.1265 -1.1078 -1.1062 -0.1143 -0.1095 1.4446 1.4480 3.2257 3.2270 3.3100 3.3100 4.2540 4.2560 4.3213 4.3266 4.4897 4.4905 4.7173 4.7243 5.0044 5.0118 13.2455 13.2457 13.9535 13.9535 17.2208 17.2230 17.2999 17.3028 k =-0.0868 0.0952 0.1288 ( 6851 PWs) bands (ev): -37.0569 -37.0569 -36.9964 -36.9964 -14.6634 -14.6633 -11.8727 -11.8726 -11.7583 -11.7582 -11.3638 -11.3638 -3.2890 -3.2888 -1.1301 -1.1285 -1.1083 -1.1068 -0.1418 -0.1372 1.4641 1.4674 3.2194 3.2206 3.3026 3.3026 4.2378 4.2399 4.3214 4.3272 4.4998 4.5014 4.7241 4.7304 5.0318 5.0385 13.1796 13.1798 13.9166 13.9166 17.2475 17.2496 17.3049 17.3077 k =-0.0801 0.0879 0.1189 ( 6853 PWs) bands (ev): -37.0573 -37.0573 -36.9960 -36.9960 -14.6771 -14.6771 -11.8536 -11.8536 -11.7555 -11.7555 -11.3575 -11.3574 -3.3016 -3.3014 -1.1310 -1.1293 -1.1086 -1.1072 -0.1690 -0.1647 1.4835 1.4866 3.2128 3.2139 3.2963 3.2963 4.2215 4.2235 4.3060 4.3116 4.5251 4.5267 4.7310 4.7368 5.0578 5.0638 13.1182 13.1183 13.8804 13.8804 17.2710 17.2729 17.3101 17.3127 k =-0.0734 0.0806 0.1090 ( 6849 PWs) bands (ev): -37.0576 -37.0576 -36.9957 -36.9957 -14.6898 -14.6898 -11.8359 -11.8358 -11.7530 -11.7529 -11.3516 -11.3515 -3.3131 -3.3129 -1.1308 -1.1292 -1.1087 -1.1073 -0.1957 -0.1916 1.5023 1.5053 3.2060 3.2070 3.2910 3.2911 4.2054 4.2073 4.2833 4.2883 4.5572 4.5586 4.7381 4.7433 5.0822 5.0877 13.0612 13.0614 13.8455 13.8455 17.2909 17.2925 17.3153 17.3177 k =-0.0668 0.0733 0.0991 ( 6853 PWs) bands (ev): -37.0579 -37.0579 -36.9955 -36.9955 -14.7015 -14.7015 -11.8196 -11.8195 -11.7507 -11.7506 -11.3462 -11.3461 -3.3235 -3.3234 -1.1297 -1.1282 -1.1086 -1.1073 -0.2216 -0.2178 1.5206 1.5233 3.1993 3.2002 3.2867 3.2868 4.1898 4.1916 4.2579 4.2624 4.5909 4.5921 4.7451 4.7496 5.1050 5.1098 13.0089 13.0091 13.8122 13.8122 17.3070 17.3083 17.3204 17.3226 k =-0.0601 0.0659 0.0892 ( 6857 PWs) bands (ev): -37.0582 -37.0582 -36.9952 -36.9952 -14.7121 -14.7120 -11.8046 -11.8046 -11.7486 -11.7485 -11.3412 -11.3412 -3.3329 -3.3328 -1.1278 -1.1265 -1.1084 -1.1071 -0.2463 -0.2428 1.5379 1.5404 3.1927 3.1935 3.2833 3.2834 4.1748 4.1764 4.2323 4.2363 4.6238 4.6248 4.7518 4.7558 5.1259 5.1302 12.9613 12.9615 13.7809 13.7809 17.3196 17.3207 17.3253 17.3273 k =-0.0534 0.0586 0.0793 ( 6859 PWs) bands (ev): -37.0584 -37.0584 -36.9950 -36.9950 -14.7216 -14.7215 -11.7912 -11.7911 -11.7467 -11.7467 -11.3368 -11.3367 -3.3412 -3.3411 -1.1253 -1.1242 -1.1081 -1.1069 -0.2697 -0.2665 1.5542 1.5565 3.1865 3.1873 3.2807 3.2808 4.1607 4.1622 4.2076 4.2112 4.6546 4.6555 4.7582 4.7617 5.1449 5.1487 12.9186 12.9187 13.7520 13.7520 17.3289 17.3300 17.3303 17.3318 k =-0.0467 0.0513 0.0694 ( 6855 PWs) bands (ev): -37.0587 -37.0587 -36.9948 -36.9948 -14.7300 -14.7300 -11.7792 -11.7792 -11.7450 -11.7450 -11.3328 -11.3328 -3.3485 -3.3484 -1.1224 -1.1215 -1.1077 -1.1065 -0.2913 -0.2885 1.5692 1.5712 3.1808 3.1814 3.2788 3.2789 4.1477 4.1490 4.1848 4.1879 4.6826 4.6835 4.7643 4.7672 5.1619 5.1652 12.8806 12.8807 13.7258 13.7258 17.3341 17.3358 17.3364 17.3369 k =-0.0401 0.0440 0.0595 ( 6843 PWs) bands (ev): -37.0589 -37.0589 -36.9946 -36.9946 -14.7373 -14.7373 -11.7688 -11.7687 -11.7436 -11.7435 -11.3294 -11.3294 -3.3548 -3.3547 -1.1193 -1.1186 -1.1072 -1.1060 -0.3109 -0.3084 1.5827 1.5845 3.1757 3.1762 3.2774 3.2775 4.1359 4.1370 4.1642 4.1669 4.7072 4.7081 4.7700 4.7723 5.1769 5.1797 12.8476 12.8477 13.7025 13.7025 17.3381 17.3395 17.3414 17.3417 k =-0.0334 0.0366 0.0496 ( 6843 PWs) bands (ev): -37.0590 -37.0590 -36.9944 -36.9944 -14.7435 -14.7435 -11.7599 -11.7599 -11.7423 -11.7423 -11.3265 -11.3265 -3.3601 -3.3600 -1.1163 -1.1159 -1.1067 -1.1055 -0.3281 -0.3260 1.5945 1.5960 3.1712 3.1716 3.2765 3.2766 4.1255 4.1264 4.1464 4.1487 4.7281 4.7290 4.7755 4.7772 5.1897 5.1920 12.8196 12.8197 13.6824 13.6824 17.3416 17.3427 17.3448 17.3451 k =-0.0267 0.0293 0.0396 ( 6847 PWs) bands (ev): -37.0592 -37.0592 -36.9943 -36.9943 -14.7485 -14.7485 -11.7526 -11.7526 -11.7413 -11.7413 -11.3241 -11.3241 -3.3644 -3.3643 -1.1136 -1.1134 -1.1061 -1.1049 -0.3427 -0.3409 1.6045 1.6057 3.1674 3.1678 3.2759 3.2760 4.1165 4.1173 4.1317 4.1336 4.7448 4.7457 4.7807 4.7818 5.2002 5.2021 12.7967 12.7967 13.6657 13.6657 17.3445 17.3454 17.3472 17.3474 k =-0.0200 0.0220 0.0297 ( 6851 PWs) bands (ev): -37.0593 -37.0593 -36.9942 -36.9942 -14.7525 -14.7525 -11.7469 -11.7469 -11.7405 -11.7405 -11.3222 -11.3222 -3.3677 -3.3677 -1.1115 -1.1114 -1.1053 -1.1043 -0.3543 -0.3529 1.6125 1.6134 3.1644 3.1647 3.2756 3.2757 4.1090 4.1096 4.1205 4.1219 4.7570 4.7579 4.7858 4.7864 5.2086 5.2099 12.7788 12.7788 13.6525 13.6525 17.3468 17.3475 17.3487 17.3489 k =-0.0134 0.0147 0.0198 ( 6859 PWs) bands (ev): -37.0594 -37.0594 -36.9941 -36.9941 -14.7553 -14.7553 -11.7428 -11.7428 -11.7400 -11.7400 -11.3209 -11.3209 -3.3701 -3.3701 -1.1101 -1.1100 -1.1044 -1.1036 -0.3627 -0.3618 1.6183 1.6189 3.1623 3.1624 3.2754 3.2755 4.1031 4.1036 4.1130 4.1138 4.7648 4.7656 4.7905 4.7907 5.2146 5.2155 12.7660 12.7660 13.6430 13.6430 17.3485 17.3489 17.3497 17.3498 k =-0.0067 0.0073 0.0099 ( 6863 PWs) bands (ev): -37.0594 -37.0594 -36.9941 -36.9941 -14.7570 -14.7570 -11.7404 -11.7404 -11.7396 -11.7396 -11.3201 -11.3201 -3.3715 -3.3715 -1.1093 -1.1092 -1.1037 -1.1032 -0.3677 -0.3672 1.6219 1.6222 3.1610 3.1611 3.2754 3.2754 4.0993 4.0995 4.1088 4.1092 4.7691 4.7695 4.7939 4.7940 5.2183 5.2188 12.7583 12.7583 13.6373 13.6373 17.3494 17.3496 17.3504 17.3505 k = 0.0000 0.0000 0.0000 ( 6871 PWs) bands (ev): -37.0594 -37.0594 -36.9941 -36.9941 -14.7576 -14.7576 -11.7396 -11.7396 -11.7394 -11.7394 -11.3198 -11.3198 -3.3720 -3.3720 -1.1091 -1.1091 -1.1032 -1.1032 -0.3692 -0.3692 1.6232 1.6232 3.1606 3.1606 3.2754 3.2754 4.0980 4.0980 4.1076 4.1076 4.7706 4.7706 4.7952 4.7952 5.2197 5.2197 12.7557 12.7557 13.6353 13.6353 17.3498 17.3498 17.3506 17.3506 k = 0.0000 0.0000 0.0000 ( 6871 PWs) bands (ev): -37.0594 -37.0594 -36.9941 -36.9941 -14.7576 -14.7576 -11.7396 -11.7396 -11.7394 -11.7394 -11.3198 -11.3198 -3.3720 -3.3720 -1.1091 -1.1091 -1.1032 -1.1032 -0.3692 -0.3692 1.6232 1.6232 3.1606 3.1606 3.2754 3.2754 4.0980 4.0980 4.1076 4.1076 4.7706 4.7706 4.7952 4.7952 5.2197 5.2197 12.7557 12.7557 13.6353 13.6353 17.3498 17.3498 17.3506 17.3506 k = 0.0102 0.0093 0.0000 ( 6871 PWs) bands (ev): -37.0594 -37.0594 -36.9941 -36.9941 -14.7569 -14.7569 -11.7398 -11.7398 -11.7396 -11.7396 -11.3211 -11.3211 -3.3706 -3.3706 -1.1080 -1.1080 -1.1021 -1.1021 -0.3697 -0.3697 1.6240 1.6240 3.1609 3.1609 3.2743 3.2743 4.0984 4.0984 4.1080 4.1080 4.7696 4.7696 4.7942 4.7942 5.2175 5.2175 12.7589 12.7589 13.6372 13.6372 17.3363 17.3363 17.3372 17.3372 k = 0.0204 0.0186 0.0000 ( 6871 PWs) bands (ev): -37.0594 -37.0594 -36.9942 -36.9942 -14.7550 -14.7550 -11.7404 -11.7404 -11.7402 -11.7402 -11.3250 -11.3250 -3.3667 -3.3667 -1.1047 -1.1047 -1.0989 -1.0989 -0.3713 -0.3713 1.6263 1.6263 3.1620 3.1620 3.2710 3.2710 4.0997 4.0997 4.1093 4.1093 4.7667 4.7667 4.7913 4.7913 5.2108 5.2108 12.7683 12.7683 13.6429 13.6429 17.2989 17.2989 17.2997 17.2997 k = 0.0306 0.0279 0.0000 ( 6863 PWs) bands (ev): -37.0593 -37.0593 -36.9942 -36.9942 -14.7517 -14.7517 -11.7413 -11.7413 -11.7412 -11.7412 -11.3315 -11.3315 -3.3600 -3.3600 -1.0994 -1.0994 -1.0935 -1.0935 -0.3739 -0.3739 1.6302 1.6302 3.1637 3.1637 3.2657 3.2657 4.1017 4.1017 4.1114 4.1114 4.7619 4.7619 4.7864 4.7864 5.1997 5.1997 12.7840 12.7840 13.6523 13.6523 17.2439 17.2439 17.2445 17.2445 k = 0.0408 0.0372 0.0000 ( 6855 PWs) bands (ev): -37.0591 -37.0591 -36.9943 -36.9943 -14.7471 -14.7471 -11.7426 -11.7426 -11.7425 -11.7425 -11.3405 -11.3405 -3.3508 -3.3508 -1.0918 -1.0918 -1.0860 -1.0860 -0.3775 -0.3775 1.6357 1.6357 3.1661 3.1661 3.2582 3.2582 4.1045 4.1045 4.1142 4.1142 4.7552 4.7552 4.7798 4.7798 5.1843 5.1843 12.8058 12.8058 13.6654 13.6654 17.1770 17.1770 17.1776 17.1776 k = 0.0510 0.0465 0.0000 ( 6847 PWs) bands (ev): -37.0590 -37.0590 -36.9945 -36.9945 -14.7412 -14.7412 -11.7443 -11.7443 -11.7442 -11.7442 -11.3521 -11.3521 -3.3389 -3.3389 -1.0822 -1.0822 -1.0763 -1.0763 -0.3820 -0.3820 1.6427 1.6427 3.1692 3.1692 3.2488 3.2488 4.1078 4.1078 4.1177 4.1177 4.7469 4.7469 4.7714 4.7714 5.1646 5.1646 12.8337 12.8337 13.6821 13.6821 17.1026 17.1026 17.1032 17.1032 k = 0.0612 0.0558 0.0000 ( 6847 PWs) bands (ev): -37.0588 -37.0588 -36.9947 -36.9947 -14.7340 -14.7340 -11.7464 -11.7464 -11.7462 -11.7462 -11.3662 -11.3662 -3.3245 -3.3245 -1.0704 -1.0704 -1.0646 -1.0646 -0.3876 -0.3876 1.6512 1.6512 3.1728 3.1728 3.2374 3.2374 4.1116 4.1116 4.1216 4.1216 4.7370 4.7370 4.7614 4.7614 5.1407 5.1407 12.8675 12.8675 13.7022 13.7022 17.0233 17.0233 17.0239 17.0239 k = 0.0714 0.0651 0.0000 ( 6848 PWs) bands (ev): -37.0586 -37.0586 -36.9949 -36.9949 -14.7256 -14.7256 -11.7488 -11.7488 -11.7486 -11.7486 -11.3827 -11.3827 -3.3076 -3.3076 -1.0566 -1.0566 -1.0507 -1.0507 -0.3942 -0.3942 1.6612 1.6612 3.1769 3.1769 3.2243 3.2243 4.1157 4.1157 4.1258 4.1258 4.7258 4.7258 4.7501 4.7501 5.1128 5.1128 12.9072 12.9072 13.7257 13.7257 16.9407 16.9407 16.9413 16.9413 k = 0.0816 0.0744 0.0000 ( 6840 PWs) bands (ev): -37.0583 -37.0583 -36.9951 -36.9951 -14.7158 -14.7158 -11.7515 -11.7515 -11.7514 -11.7514 -11.4017 -11.4017 -3.2882 -3.2882 -1.0407 -1.0407 -1.0348 -1.0348 -0.4018 -0.4018 1.6727 1.6727 3.1812 3.1812 3.2098 3.2098 4.1198 4.1198 4.1301 4.1301 4.7135 4.7135 4.7377 4.7377 5.0810 5.0810 12.9524 12.9524 13.7523 13.7523 16.8560 16.8560 16.8567 16.8567 k = 0.0918 0.0837 0.0000 ( 6860 PWs) bands (ev): -37.0580 -37.0580 -36.9954 -36.9954 -14.7047 -14.7047 -11.7546 -11.7546 -11.7545 -11.7545 -11.4230 -11.4230 -3.2663 -3.2663 -1.0228 -1.0228 -1.0169 -1.0169 -0.4103 -0.4103 1.6857 1.6857 3.1839 3.1839 3.1958 3.1958 4.1237 4.1237 4.1342 4.1342 4.7004 4.7004 4.7245 4.7245 5.0455 5.0455 13.0030 13.0030 13.7820 13.7820 16.7698 16.7698 16.7706 16.7706 k = 0.1020 0.0930 0.0000 ( 6868 PWs) bands (ev): -37.0577 -37.0577 -36.9957 -36.9957 -14.6923 -14.6923 -11.7580 -11.7580 -11.7579 -11.7579 -11.4466 -11.4466 -3.2422 -3.2422 -1.0028 -1.0028 -0.9969 -0.9969 -0.4197 -0.4197 1.7001 1.7001 3.1724 3.1724 3.1948 3.1948 4.1269 4.1269 4.1376 4.1376 4.6870 4.6870 4.7108 4.7108 5.0064 5.0064 13.0588 13.0588 13.8145 13.8145 16.6827 16.6827 16.6835 16.6835 k = 0.1122 0.1023 0.0000 ( 6840 PWs) bands (ev): -37.0573 -37.0573 -36.9960 -36.9960 -14.6787 -14.6787 -11.7617 -11.7617 -11.7615 -11.7615 -11.4724 -11.4724 -3.2157 -3.2157 -0.9810 -0.9810 -0.9750 -0.9750 -0.4300 -0.4300 1.7159 1.7159 3.1538 3.1538 3.2000 3.2000 4.1291 4.1291 4.1400 4.1400 4.6737 4.6737 4.6972 4.6972 4.9639 4.9639 13.1195 13.1195 13.8497 13.8497 16.5951 16.5951 16.5959 16.5959 k = 0.1224 0.1116 0.0000 ( 6840 PWs) bands (ev): -37.0569 -37.0569 -36.9964 -36.9964 -14.6637 -14.6637 -11.7657 -11.7657 -11.7655 -11.7655 -11.5004 -11.5004 -3.1871 -3.1871 -0.9572 -0.9572 -0.9512 -0.9512 -0.4412 -0.4412 1.7330 1.7330 3.1335 3.1335 3.2060 3.2060 4.1297 4.1297 4.1407 4.1407 4.6610 4.6610 4.6841 4.6841 4.9183 4.9183 13.1849 13.1849 13.8873 13.8873 16.5071 16.5071 16.5080 16.5080 k = 0.1327 0.1209 0.0000 ( 6844 PWs) bands (ev): -37.0565 -37.0565 -36.9968 -36.9968 -14.6475 -14.6475 -11.7699 -11.7699 -11.7697 -11.7697 -11.5305 -11.5305 -3.1563 -3.1563 -0.9315 -0.9315 -0.9256 -0.9256 -0.4533 -0.4533 1.7515 1.7515 3.1121 3.1121 3.2124 3.2124 4.1281 4.1281 4.1392 4.1392 4.6496 4.6496 4.6722 4.6722 4.8697 4.8697 13.2547 13.2547 13.9271 13.9271 16.4190 16.4190 16.4200 16.4200 k = 0.1429 0.1302 0.0000 ( 6844 PWs) bands (ev): -37.0560 -37.0560 -36.9972 -36.9972 -14.6301 -14.6301 -11.7744 -11.7744 -11.7742 -11.7742 -11.5626 -11.5626 -3.1235 -3.1235 -0.9040 -0.9040 -0.8981 -0.8981 -0.4663 -0.4663 1.7712 1.7712 3.0897 3.0897 3.2188 3.2188 4.1237 4.1237 4.1349 4.1349 4.6401 4.6401 4.6622 4.6622 4.8184 4.8184 13.3285 13.3285 13.9690 13.9690 16.3311 16.3311 16.3321 16.3321 k = 0.1531 0.1395 0.0000 ( 6860 PWs) bands (ev): -37.0556 -37.0556 -36.9977 -36.9977 -14.6113 -14.6113 -11.7791 -11.7791 -11.7789 -11.7789 -11.5966 -11.5966 -3.0887 -3.0887 -0.8748 -0.8748 -0.8688 -0.8688 -0.4801 -0.4801 1.7922 1.7922 3.0667 3.0667 3.2254 3.2254 4.1159 4.1159 4.1271 4.1271 4.6331 4.6331 4.6545 4.6545 4.7647 4.7647 13.4060 13.4060 14.0126 14.0126 16.2433 16.2433 16.2445 16.2445 k = 0.1633 0.1488 0.0000 ( 6856 PWs) bands (ev): -37.0551 -37.0551 -36.9982 -36.9982 -14.5913 -14.5913 -11.7840 -11.7840 -11.7838 -11.7838 -11.6325 -11.6325 -3.0520 -3.0520 -0.8439 -0.8439 -0.8379 -0.8379 -0.4947 -0.4947 1.8144 1.8144 3.0432 3.0432 3.2318 3.2318 4.1042 4.1042 4.1154 4.1154 4.6287 4.6287 4.6498 4.6498 4.7092 4.7092 13.4869 13.4869 14.0579 14.0579 16.1560 16.1560 16.1572 16.1572 k = 0.1735 0.1581 0.0000 ( 6848 PWs) bands (ev): -37.0545 -37.0545 -36.9987 -36.9987 -14.5701 -14.5701 -11.7891 -11.7891 -11.7889 -11.7889 -11.6702 -11.6702 -3.0135 -3.0135 -0.8113 -0.8113 -0.8053 -0.8053 -0.5100 -0.5100 1.8377 1.8377 3.0195 3.0195 3.2381 3.2381 4.0882 4.0882 4.0994 4.0994 4.6241 4.6241 4.6482 4.6482 4.6554 4.6554 13.5709 13.5709 14.1046 14.1046 16.0691 16.0691 16.0704 16.0704 k = 0.1837 0.1674 0.0000 ( 6860 PWs) bands (ev): -37.0539 -37.0539 -36.9992 -36.9992 -14.5476 -14.5476 -11.7943 -11.7943 -11.7942 -11.7942 -11.7095 -11.7095 -2.9734 -2.9734 -0.7772 -0.7772 -0.7712 -0.7712 -0.5262 -0.5262 1.8620 1.8620 2.9956 2.9956 3.2442 3.2442 4.0678 4.0678 4.0790 4.0790 4.5850 4.5850 4.6374 4.6374 4.6507 4.6507 13.6575 13.6575 14.1524 14.1524 15.9829 15.9829 15.9843 15.9843 k = 0.1939 0.1767 0.0000 ( 6864 PWs) bands (ev): -37.0533 -37.0533 -36.9998 -36.9998 -14.5239 -14.5239 -11.7997 -11.7997 -11.7996 -11.7996 -11.7505 -11.7505 -2.9317 -2.9317 -0.7416 -0.7416 -0.7356 -0.7356 -0.5431 -0.5431 1.8873 1.8873 2.9717 2.9717 3.2499 3.2499 4.0429 4.0429 4.0542 4.0542 4.5249 4.5249 4.6427 4.6427 4.6565 4.6565 13.7465 13.7465 14.2013 14.2013 15.8974 15.8974 15.8989 15.8989 k = 0.2041 0.1860 0.0000 ( 6864 PWs) bands (ev): -37.0527 -37.0527 -37.0004 -37.0004 -14.4990 -14.4990 -11.8052 -11.8052 -11.8051 -11.8051 -11.7929 -11.7929 -2.8884 -2.8884 -0.7045 -0.7045 -0.6986 -0.6986 -0.5607 -0.5607 1.9136 1.9136 2.9482 2.9482 3.2551 3.2551 4.0140 4.0140 4.0253 4.0253 4.4620 4.4620 4.6527 4.6527 4.6657 4.6657 13.8373 13.8373 14.2510 14.2510 15.8127 15.8127 15.8143 15.8143 k = 0.2143 0.1953 0.0000 ( 6844 PWs) bands (ev): -37.0520 -37.0520 -37.0010 -37.0010 -14.4729 -14.4729 -11.8368 -11.8368 -11.8108 -11.8108 -11.8107 -11.8107 -2.8438 -2.8438 -0.6662 -0.6662 -0.6603 -0.6603 -0.5790 -0.5790 1.9407 1.9407 2.9251 2.9251 3.2598 3.2598 3.9812 3.9812 3.9926 3.9926 4.3976 4.3976 4.6660 4.6660 4.6780 4.6780 13.9296 13.9296 14.3013 14.3013 15.7291 15.7291 15.7307 15.7307 k = 0.2245 0.2046 0.0000 ( 6824 PWs) bands (ev): -37.0513 -37.0513 -37.0017 -37.0017 -14.4456 -14.4456 -11.8820 -11.8820 -11.8165 -11.8165 -11.8164 -11.8164 -2.7979 -2.7979 -0.6266 -0.6266 -0.6213 -0.6213 -0.5976 -0.5976 1.9685 1.9685 2.9026 2.9026 3.2638 3.2638 3.9450 3.9450 3.9565 3.9565 4.3321 4.3321 4.6820 4.6820 4.6931 4.6931 14.0230 14.0230 14.3521 14.3521 15.6465 15.6465 15.6481 15.6481 k = 0.2347 0.2139 0.0000 ( 6824 PWs) bands (ev): -37.0506 -37.0506 -37.0023 -37.0023 -14.4171 -14.4171 -11.9284 -11.9284 -11.8222 -11.8222 -11.8221 -11.8221 -2.7508 -2.7508 -0.6188 -0.6188 -0.5858 -0.5858 -0.5792 -0.5792 1.9970 1.9970 2.8810 2.8810 3.2671 3.2671 3.9058 3.9058 3.9174 3.9174 4.2658 4.2658 4.7004 4.7004 4.7105 4.7105 14.1170 14.1170 14.4033 14.4033 15.5650 15.5650 15.5667 15.5667 k = 0.2449 0.2232 0.0000 ( 6828 PWs) bands (ev): -37.0499 -37.0499 -37.0030 -37.0030 -14.3874 -14.3874 -11.9760 -11.9760 -11.8280 -11.8280 -11.8278 -11.8278 -2.7026 -2.7026 -0.6391 -0.6391 -0.5441 -0.5441 -0.5378 -0.5378 2.0260 2.0260 2.8605 2.8605 3.2694 3.2694 3.8640 3.8640 3.8757 3.8757 4.1989 4.1989 4.7207 4.7207 4.7300 4.7300 14.2112 14.2112 14.4546 14.4546 15.4849 15.4849 15.4867 15.4867 k = 0.2551 0.2325 0.0000 ( 6820 PWs) bands (ev): -37.0491 -37.0491 -37.0037 -37.0037 -14.3566 -14.3566 -12.0247 -12.0247 -11.8337 -11.8337 -11.8336 -11.8336 -2.6534 -2.6534 -0.6604 -0.6604 -0.5014 -0.5014 -0.4952 -0.4952 2.0555 2.0555 2.8412 2.8412 3.2708 3.2708 3.8200 3.8200 3.8318 3.8318 4.1317 4.1317 4.7426 4.7426 4.7511 4.7511 14.3052 14.3052 14.5060 14.5060 15.4063 15.4063 15.4081 15.4081 k = 0.2653 0.2418 0.0000 ( 6812 PWs) bands (ev): -37.0483 -37.0483 -37.0045 -37.0045 -14.3246 -14.3246 -12.0743 -12.0743 -11.8394 -11.8394 -11.8393 -11.8393 -2.6034 -2.6034 -0.6824 -0.6824 -0.4579 -0.4579 -0.4517 -0.4517 2.0853 2.0853 2.8233 2.8233 3.2711 3.2711 3.7742 3.7742 3.7860 3.7860 4.0645 4.0645 4.7657 4.7657 4.7736 4.7736 14.3984 14.3984 14.5574 14.5574 15.3292 15.3292 15.3310 15.3310 k = 0.2755 0.2511 0.0000 ( 6812 PWs) bands (ev): -37.0475 -37.0475 -37.0053 -37.0053 -14.2915 -14.2915 -12.1249 -12.1249 -11.8451 -11.8451 -11.8450 -11.8450 -2.5525 -2.5525 -0.7052 -0.7052 -0.4137 -0.4137 -0.4076 -0.4076 2.1152 2.1152 2.8070 2.8070 3.2701 3.2701 3.7270 3.7270 3.7387 3.7387 3.9974 3.9974 4.7899 4.7899 4.7971 4.7971 14.4905 14.4905 14.6086 14.6086 15.2539 15.2539 15.2557 15.2557 k = 0.2857 0.2604 0.0000 ( 6792 PWs) bands (ev): -37.0467 -37.0467 -37.0060 -37.0060 -14.2572 -14.2572 -12.1763 -12.1763 -11.8507 -11.8507 -11.8506 -11.8506 -2.5010 -2.5010 -0.7288 -0.7288 -0.3690 -0.3690 -0.3630 -0.3630 2.1452 2.1452 2.7927 2.7927 3.2677 3.2677 3.6785 3.6785 3.6902 3.6902 3.9308 3.9308 4.8147 4.8147 4.8214 4.8214 14.5809 14.5809 14.6596 14.6596 15.1803 15.1803 15.1822 15.1822 k = 0.2959 0.2697 0.0000 ( 6792 PWs) bands (ev): -37.0458 -37.0458 -37.0068 -37.0068 -14.2219 -14.2219 -12.2284 -12.2284 -11.8561 -11.8561 -11.8561 -11.8561 -2.4489 -2.4489 -0.7531 -0.7531 -0.3240 -0.3240 -0.3179 -0.3179 2.1751 2.1751 2.7804 2.7804 3.2639 3.2639 3.6293 3.6293 3.6408 3.6408 3.8649 3.8649 4.8400 4.8400 4.8462 4.8462 14.6692 14.6692 14.7102 14.7102 15.1088 15.1088 15.1106 15.1106 k = 0.3061 0.2790 0.0000 ( 6780 PWs) bands (ev): -37.0450 -37.0450 -37.0077 -37.0077 -14.1855 -14.1855 -12.2811 -12.2811 -11.8615 -11.8615 -11.8614 -11.8614 -2.3964 -2.3964 -0.7782 -0.7782 -0.2787 -0.2787 -0.2727 -0.2727 2.2047 2.2047 2.7704 2.7704 3.2583 3.2583 3.5794 3.5794 3.5908 3.5908 3.8000 3.8000 4.8656 4.8656 4.8713 4.8713 14.7550 14.7550 14.7604 14.7604 15.0394 15.0394 15.0412 15.0412 k = 0.3163 0.2883 0.0000 ( 6776 PWs) bands (ev): -37.0441 -37.0441 -37.0085 -37.0085 -14.1481 -14.1481 -12.3345 -12.3345 -11.8668 -11.8668 -11.8667 -11.8667 -2.3434 -2.3434 -0.8040 -0.8040 -0.2333 -0.2333 -0.2274 -0.2274 2.2338 2.2338 2.7629 2.7629 3.2507 3.2507 3.5293 3.5293 3.5404 3.5404 3.7365 3.7365 4.8912 4.8912 4.8965 4.8965 14.8101 14.8101 14.8377 14.8377 14.9724 14.9724 14.9741 14.9741 k = 0.3265 0.2976 0.0000 ( 6792 PWs) bands (ev): -37.0432 -37.0432 -37.0094 -37.0094 -14.1095 -14.1095 -12.3884 -12.3884 -11.8719 -11.8719 -11.8718 -11.8718 -2.2902 -2.2902 -0.8308 -0.8308 -0.1881 -0.1881 -0.1823 -0.1823 2.2623 2.2623 2.7581 2.7581 3.2410 3.2410 3.4792 3.4792 3.4900 3.4900 3.6746 3.6746 4.9167 4.9167 4.9216 4.9216 14.8591 14.8591 14.9075 14.9075 14.9091 14.9091 14.9176 14.9176 k = 0.3367 0.3069 0.0000 ( 6792 PWs) bands (ev): -37.0423 -37.0423 -37.0103 -37.0103 -14.0700 -14.0700 -12.4427 -12.4427 -11.8768 -11.8768 -11.8767 -11.8767 -2.2368 -2.2368 -0.8583 -0.8583 -0.1432 -0.1432 -0.1375 -0.1375 2.2900 2.2900 2.7562 2.7562 3.2288 3.2288 3.4294 3.4294 3.4399 3.4399 3.6150 3.6150 4.9418 4.9418 4.9464 4.9464 14.8456 14.8456 14.8473 14.8473 14.9077 14.9077 14.9924 14.9924 k = 0.3469 0.3162 0.0000 ( 6804 PWs) bands (ev): -37.0413 -37.0413 -37.0112 -37.0112 -14.0295 -14.0295 -12.4973 -12.4973 -11.8815 -11.8815 -11.8814 -11.8814 -2.1834 -2.1834 -0.8867 -0.8867 -0.0989 -0.0989 -0.0933 -0.0933 2.3168 2.3168 2.7575 2.7575 3.2136 3.2136 3.3802 3.3802 3.3903 3.3903 3.5580 3.5580 4.9664 4.9664 4.9707 4.9707 14.7863 14.7863 14.7880 14.7880 14.9553 14.9553 15.0635 15.0635 k = 0.3571 0.3255 0.0000 ( 6800 PWs) bands (ev): -37.0404 -37.0404 -37.0121 -37.0121 -13.9880 -13.9880 -12.5523 -12.5523 -11.8860 -11.8860 -11.8859 -11.8859 -2.1300 -2.1300 -0.9160 -0.9160 -0.0553 -0.0553 -0.0499 -0.0499 2.3426 2.3426 2.7618 2.7618 3.1950 3.1950 3.3320 3.3320 3.3416 3.3416 3.5043 3.5043 4.9904 4.9904 4.9943 4.9943 14.7300 14.7300 14.7315 14.7315 15.0021 15.0021 15.1299 15.1299 k = 0.3673 0.3348 0.0000 ( 6800 PWs) bands (ev): -37.0394 -37.0394 -37.0130 -37.0130 -13.9455 -13.9455 -12.6075 -12.6075 -11.8902 -11.8902 -11.8902 -11.8902 -2.0766 -2.0766 -0.9462 -0.9462 -0.0128 -0.0128 -0.0076 -0.0076 2.3674 2.3674 2.7694 2.7694 3.1726 3.1726 3.2850 3.2850 3.2940 3.2940 3.4545 3.4545 5.0135 5.0135 5.0171 5.0171 14.6767 14.6767 14.6782 14.6782 15.0479 15.0479 15.1913 15.1913 k = 0.3776 0.3441 0.0000 ( 6796 PWs) bands (ev): -37.0384 -37.0384 -37.0140 -37.0140 -13.9021 -13.9021 -12.6628 -12.6628 -11.8943 -11.8943 -11.8942 -11.8942 -2.0235 -2.0235 -0.9773 -0.9773 0.0284 0.0284 0.0334 0.0334 2.3912 2.3912 2.7801 2.7801 3.1459 3.1459 3.2396 3.2396 3.2479 3.2479 3.4089 3.4089 5.0356 5.0356 5.0389 5.0389 14.6266 14.6266 14.6280 14.6280 15.0926 15.0926 15.2474 15.2474 k = 0.3878 0.3534 0.0000 ( 6788 PWs) bands (ev): -37.0374 -37.0374 -37.0149 -37.0149 -13.8577 -13.8577 -12.7182 -12.7182 -11.8980 -11.8980 -11.8979 -11.8979 -1.9707 -1.9707 -1.0094 -1.0094 0.0680 0.0680 0.0728 0.0728 2.4142 2.4142 2.7938 2.7938 3.1149 3.1149 3.1961 3.1961 3.2036 3.2036 3.3679 3.3679 5.0565 5.0565 5.0595 5.0595 14.5799 14.5799 14.5812 14.5812 15.1361 15.1361 15.2980 15.2980 k = 0.3980 0.3627 0.0000 ( 6796 PWs) bands (ev): -37.0364 -37.0364 -37.0159 -37.0159 -13.8125 -13.8125 -12.7737 -12.7737 -11.9015 -11.9015 -11.9014 -11.9014 -1.9183 -1.9183 -1.0425 -1.0425 0.1058 0.1058 0.1103 0.1103 2.4367 2.4367 2.8103 2.8103 3.0801 3.0801 3.1548 3.1548 3.1614 3.1614 3.3312 3.3312 5.0762 5.0762 5.0789 5.0789 14.5367 14.5367 14.5379 14.5379 15.1781 15.1781 15.3428 15.3428 k = 0.4082 0.3720 0.0000 ( 6776 PWs) bands (ev): -37.0354 -37.0354 -37.0169 -37.0169 -13.7665 -13.7665 -12.8292 -12.8292 -11.9047 -11.9047 -11.9046 -11.9046 -1.8663 -1.8663 -1.0766 -1.0766 0.1413 0.1413 0.1455 0.1455 2.4588 2.4588 2.8292 2.8292 3.0423 3.0423 3.1159 3.1159 3.1218 3.1218 3.2982 3.2982 5.0944 5.0944 5.0968 5.0968 14.4971 14.4971 14.4983 14.4983 15.2186 15.2186 15.3817 15.3817 k = 0.4184 0.3813 0.0000 ( 6780 PWs) bands (ev): -37.0344 -37.0344 -37.0179 -37.0179 -13.7196 -13.7196 -12.8846 -12.8846 -11.9075 -11.9075 -11.9075 -11.9075 -1.8149 -1.8149 -1.1118 -1.1118 0.1743 0.1743 0.1782 0.1782 2.4810 2.4810 2.8502 2.8502 3.0025 3.0025 3.0797 3.0797 3.0850 3.0850 3.2680 3.2680 5.1111 5.1111 5.1132 5.1132 14.4614 14.4614 14.4624 14.4624 15.2574 15.2574 15.4147 15.4147 k = 0.4286 0.3906 0.0000 ( 6780 PWs) bands (ev): -37.0334 -37.0334 -37.0189 -37.0189 -13.6719 -13.6719 -12.9398 -12.9398 -11.9101 -11.9101 -11.9101 -11.9101 -1.7642 -1.7642 -1.1480 -1.1480 0.2045 0.2045 0.2080 0.2080 2.5036 2.5036 2.8729 2.8729 2.9617 2.9617 3.0467 3.0467 3.0514 3.0514 3.2397 3.2397 5.1261 5.1261 5.1279 5.1279 14.4296 14.4296 14.4305 14.4305 15.2941 15.2941 15.4417 15.4417 k = 0.4388 0.3999 0.0000 ( 6784 PWs) bands (ev): -37.0324 -37.0324 -37.0199 -37.0199 -13.6234 -13.6234 -12.9948 -12.9948 -11.9123 -11.9123 -11.9123 -11.9123 -1.7141 -1.7141 -1.1852 -1.1852 0.2315 0.2315 0.2346 0.2346 2.5269 2.5269 2.8969 2.8969 2.9207 2.9207 3.0172 3.0172 3.0213 3.0213 3.2126 3.2126 5.1393 5.1393 5.1409 5.1409 14.4017 14.4017 14.4025 14.4025 15.3287 15.3287 15.4627 15.4627 k = 0.4490 0.4092 0.0000 ( 6792 PWs) bands (ev): -37.0313 -37.0313 -37.0209 -37.0209 -13.5742 -13.5742 -13.0496 -13.0496 -11.9143 -11.9143 -11.9142 -11.9142 -1.6647 -1.6647 -1.2236 -1.2236 0.2551 0.2551 0.2577 0.2577 2.5512 2.5512 2.8797 2.8797 2.9223 2.9223 2.9917 2.9917 2.9952 2.9952 3.1862 3.1862 5.1507 5.1507 5.1520 5.1520 14.3780 14.3780 14.3787 14.3787 15.3607 15.3607 15.4779 15.4779 k = 0.4592 0.4185 0.0000 ( 6792 PWs) bands (ev): -37.0303 -37.0303 -37.0220 -37.0220 -13.5243 -13.5243 -13.1042 -13.1042 -11.9158 -11.9158 -11.9158 -11.9158 -1.6162 -1.6162 -1.2630 -1.2630 0.2749 0.2749 0.2770 0.2770 2.5768 2.5768 2.8399 2.8399 2.9481 2.9481 2.9704 2.9704 2.9733 2.9733 3.1601 3.1601 5.1602 5.1602 5.1612 5.1612 14.3585 14.3585 14.3591 14.3591 15.3900 15.3900 15.4875 15.4875 k = 0.4694 0.4278 0.0000 ( 6800 PWs) bands (ev): -37.0293 -37.0293 -37.0230 -37.0230 -13.4737 -13.4737 -13.1583 -13.1583 -11.9171 -11.9171 -11.9171 -11.9171 -1.5686 -1.5686 -1.3035 -1.3035 0.2906 0.2906 0.2922 0.2922 2.6038 2.6038 2.8013 2.8013 2.9535 2.9535 2.9556 2.9556 2.9747 2.9747 3.1340 3.1340 5.1676 5.1676 5.1684 5.1684 14.3433 14.3433 14.3437 14.3437 15.4162 15.4162 15.4915 15.4915 k = 0.4796 0.4371 0.0000 ( 6812 PWs) bands (ev): -37.0282 -37.0282 -37.0241 -37.0241 -13.4225 -13.4225 -13.2121 -13.2121 -11.9179 -11.9179 -11.9179 -11.9179 -1.5219 -1.5219 -1.3451 -1.3451 0.3021 0.3021 0.3032 0.3032 2.6324 2.6324 2.7641 2.7641 2.9415 2.9415 2.9429 2.9429 3.0013 3.0013 3.1077 3.1077 5.1730 5.1730 5.1735 5.1735 14.3324 14.3324 14.3327 14.3327 15.4391 15.4391 15.4904 15.4904 k = 0.4898 0.4464 0.0000 ( 6820 PWs) bands (ev): -37.0272 -37.0272 -37.0251 -37.0251 -13.3707 -13.3707 -13.2655 -13.2655 -11.9185 -11.9185 -11.9185 -11.9185 -1.4762 -1.4762 -1.3877 -1.3877 0.3092 0.3092 0.3097 0.3097 2.6626 2.6626 2.7285 2.7285 2.9343 2.9343 2.9350 2.9350 3.0280 3.0280 3.0813 3.0813 5.1763 5.1763 5.1766 5.1766 14.3259 14.3259 14.3260 14.3260 15.4583 15.4583 15.4842 15.4842 k = 0.5000 0.4557 0.0000 ( 6828 PWs) bands (ev): -37.0262 -37.0262 -37.0262 -37.0262 -13.3184 -13.3184 -13.3184 -13.3184 -11.9187 -11.9187 -11.9187 -11.9187 -1.4314 -1.4314 -1.4314 -1.4314 0.3117 0.3117 0.3117 0.3117 2.6947 2.6947 2.6947 2.6947 2.9321 2.9321 2.9321 2.9321 3.0548 3.0548 3.0548 3.0548 5.1775 5.1775 5.1775 5.1775 14.3237 14.3237 14.3237 14.3237 15.4734 15.4734 15.4734 15.4734 k = 0.5000 0.4557 0.0000 ( 6828 PWs) bands (ev): -37.0262 -37.0262 -37.0262 -37.0262 -13.3184 -13.3184 -13.3184 -13.3184 -11.9187 -11.9187 -11.9187 -11.9187 -1.4314 -1.4314 -1.4314 -1.4314 0.3117 0.3117 0.3117 0.3117 2.6947 2.6947 2.6947 2.6947 2.9321 2.9321 2.9321 2.9321 3.0548 3.0548 3.0548 3.0548 5.1775 5.1775 5.1775 5.1775 14.3237 14.3237 14.3237 14.3237 15.4734 15.4734 15.4734 15.4734 k = 0.4934 0.4630 0.0099 ( 6818 PWs) bands (ev): -37.0262 -37.0262 -37.0261 -37.0261 -13.3190 -13.3190 -13.3178 -13.3178 -11.9187 -11.9187 -11.9184 -11.9184 -1.4327 -1.4327 -1.4304 -1.4304 0.3103 0.3107 0.3117 0.3120 2.6720 2.6742 2.6959 2.6961 2.9184 2.9188 2.9532 2.9543 3.0549 3.0556 3.0681 3.0688 5.1771 5.1774 5.1778 5.1781 14.3210 14.3213 14.3260 14.3260 15.4748 15.4749 15.4766 15.4771 k = 0.4867 0.4703 0.0197 ( 6810 PWs) bands (ev): -37.0262 -37.0262 -37.0261 -37.0261 -13.3209 -13.3209 -13.3160 -13.3160 -11.9190 -11.9190 -11.9176 -11.9176 -1.4367 -1.4367 -1.4273 -1.4273 0.3065 0.3074 0.3116 0.3123 2.6217 2.6251 2.6989 2.6992 2.8880 2.8887 3.0031 3.0040 3.0560 3.0575 3.0991 3.1009 5.1763 5.1768 5.1788 5.1793 14.3131 14.3137 14.3329 14.3329 15.4790 15.4792 15.4867 15.4876 k = 0.4801 0.4776 0.0296 ( 6798 PWs) bands (ev): -37.0263 -37.0263 -37.0260 -37.0260 -13.3241 -13.3240 -13.3131 -13.3131 -11.9194 -11.9193 -11.9163 -11.9163 -1.4432 -1.4432 -1.4222 -1.4221 0.3003 0.3017 0.3117 0.3128 2.5602 2.5642 2.7038 2.7043 2.8513 2.8523 3.0580 3.0599 3.0632 3.0642 3.1384 3.1420 5.1751 5.1758 5.1805 5.1813 14.3006 14.3013 14.3444 14.3444 15.4861 15.4863 15.5033 15.5046 k = 0.4734 0.4849 0.0395 ( 6794 PWs) bands (ev): -37.0264 -37.0264 -37.0259 -37.0259 -13.3285 -13.3285 -13.3090 -13.3089 -11.9199 -11.9198 -11.9146 -11.9145 -1.4523 -1.4523 -1.4152 -1.4150 0.2919 0.2936 0.3119 0.3133 2.4946 2.4990 2.7108 2.7114 2.8122 2.8134 3.0613 3.0642 3.1214 3.1244 3.1851 3.1913 5.1734 5.1744 5.1828 5.1838 14.2837 14.2847 14.3605 14.3605 15.4960 15.4963 15.5259 15.5276 k = 0.4668 0.4921 0.0493 ( 6790 PWs) bands (ev): -37.0265 -37.0265 -37.0258 -37.0258 -13.3342 -13.3342 -13.3037 -13.3036 -11.9205 -11.9205 -11.9123 -11.9122 -1.4639 -1.4639 -1.4062 -1.4059 0.2812 0.2833 0.3121 0.3139 2.4278 2.4324 2.7197 2.7204 2.7722 2.7737 3.0654 3.0690 3.1728 3.1775 3.2427 3.2506 5.1712 5.1726 5.1858 5.1870 14.2633 14.2645 14.3810 14.3810 15.5088 15.5091 15.5539 15.5559 k = 0.4601 0.4994 0.0592 ( 6784 PWs) bands (ev): -37.0266 -37.0266 -37.0256 -37.0256 -13.3411 -13.3411 -13.2972 -13.2972 -11.9213 -11.9212 -11.9095 -11.9094 -1.4780 -1.4780 -1.3953 -1.3950 0.2683 0.2708 0.3124 0.3145 2.3609 2.3657 2.7291 2.7305 2.7322 2.7360 3.0705 3.0748 3.2174 3.2223 3.3099 3.3180 5.1686 5.1702 5.1892 5.1907 14.2400 14.2412 14.4060 14.4060 15.5243 15.5248 15.5867 15.5890 k = 0.4535 0.5067 0.0690 ( 6778 PWs) bands (ev): -37.0268 -37.0268 -37.0254 -37.0254 -13.3493 -13.3493 -13.2896 -13.2896 -11.9221 -11.9220 -11.9061 -11.9061 -1.4945 -1.4945 -1.3827 -1.3824 0.2532 0.2561 0.3129 0.3153 2.2947 2.2996 2.6919 2.6932 2.7434 2.7449 3.0766 3.0816 3.2580 3.2625 3.3819 3.3898 5.1655 5.1674 5.1931 5.1948 14.2144 14.2158 14.4353 14.4354 15.5427 15.5432 15.6235 15.6262 k = 0.4468 0.5140 0.0789 ( 6786 PWs) bands (ev): -37.0270 -37.0270 -37.0252 -37.0252 -13.3588 -13.3587 -13.2808 -13.2808 -11.9230 -11.9229 -11.9024 -11.9023 -1.5133 -1.5133 -1.3685 -1.3681 0.2361 0.2394 0.3133 0.3161 2.2295 2.2346 2.6522 2.6537 2.7581 2.7596 3.0836 3.0893 3.2961 3.3003 3.4560 3.4635 5.1620 5.1642 5.1973 5.1991 14.1872 14.1887 14.4690 14.4690 15.5638 15.5643 15.6639 15.6668 k = 0.4402 0.5213 0.0888 ( 6794 PWs) bands (ev): -37.0272 -37.0272 -37.0250 -37.0250 -13.3695 -13.3694 -13.2709 -13.2709 -11.9238 -11.9238 -11.8981 -11.8980 -1.5344 -1.5343 -1.3527 -1.3523 0.2171 0.2206 0.3139 0.3169 2.1657 2.1709 2.6131 2.6147 2.7746 2.7763 3.0916 3.0979 3.3326 3.3364 3.5308 3.5382 5.1580 5.1604 5.2016 5.2036 14.1591 14.1606 14.5069 14.5069 15.5876 15.5882 15.7073 15.7103 k = 0.4336 0.5286 0.0986 ( 6802 PWs) bands (ev): -37.0275 -37.0275 -37.0247 -37.0247 -13.3814 -13.3814 -13.2599 -13.2599 -11.9247 -11.9247 -11.8933 -11.8932 -1.5576 -1.5576 -1.3356 -1.3352 0.1962 0.2000 0.3144 0.3178 2.1034 2.1088 2.5747 2.5765 2.7929 2.7949 3.1006 3.1074 3.3675 3.3712 3.6059 3.6130 5.1534 5.1561 5.2060 5.2081 14.1305 14.1320 14.5488 14.5488 15.6142 15.6149 15.7531 15.7563 k = 0.4269 0.5359 0.1085 ( 6802 PWs) bands (ev): -37.0278 -37.0278 -37.0244 -37.0244 -13.3945 -13.3945 -13.2478 -13.2477 -11.9256 -11.9255 -11.8881 -11.8880 -1.5829 -1.5829 -1.3174 -1.3168 0.1735 0.1776 0.3150 0.3187 2.0429 2.0484 2.5374 2.5392 2.8129 2.8151 3.1104 3.1178 3.4012 3.4047 3.6807 3.6877 5.1484 5.1514 5.2102 5.2124 14.1019 14.1034 14.5947 14.5947 15.6434 15.6441 15.8010 15.8043 k = 0.4203 0.5432 0.1184 ( 6794 PWs) bands (ev): -37.0281 -37.0281 -37.0241 -37.0241 -13.4089 -13.4089 -13.2345 -13.2345 -11.9263 -11.9262 -11.8824 -11.8823 -1.6102 -1.6101 -1.2980 -1.2974 0.1492 0.1535 0.3156 0.3196 1.9843 1.9899 2.5013 2.5032 2.8347 2.8371 3.1211 3.1292 3.4335 3.4369 3.7551 3.7620 5.1428 5.1461 5.2142 5.2165 14.0738 14.0753 14.6444 14.6444 15.6752 15.6761 15.8505 15.8540 k = 0.4136 0.5505 0.1282 ( 6790 PWs) bands (ev): -37.0284 -37.0284 -37.0238 -37.0238 -13.4245 -13.4244 -13.2202 -13.2201 -11.9270 -11.9269 -11.8762 -11.8761 -1.6393 -1.6392 -1.2779 -1.2772 0.1233 0.1278 0.3163 0.3205 1.9277 1.9335 2.4666 2.4685 2.8580 2.8608 3.1327 3.1413 3.4645 3.4678 3.8287 3.8355 5.1366 5.1402 5.2178 5.2202 14.0465 14.0479 14.6977 14.6977 15.7097 15.7106 15.9014 15.9049 k = 0.4070 0.5578 0.1381 ( 6790 PWs) bands (ev): -37.0288 -37.0288 -37.0234 -37.0234 -13.4412 -13.4411 -13.2048 -13.2047 -11.9275 -11.9274 -11.8696 -11.8695 -1.6701 -1.6700 -1.2571 -1.2564 0.0960 0.1007 0.3169 0.3213 1.8733 1.8792 2.4334 2.4354 2.8829 2.8860 3.1452 3.1543 3.4941 3.4973 3.9013 3.9081 5.1299 5.1338 5.2209 5.2232 14.0203 14.0217 14.7545 14.7545 15.7466 15.7476 15.9534 15.9569 k = 0.4003 0.5650 0.1480 ( 6795 PWs) bands (ev): -37.0292 -37.0292 -37.0230 -37.0230 -13.4591 -13.4590 -13.1883 -13.1883 -11.9279 -11.9278 -11.8626 -11.8625 -1.7025 -1.7025 -1.2360 -1.2352 0.0674 0.0722 0.3175 0.3222 1.8211 1.8271 2.4020 2.4040 2.9093 2.9127 3.1584 3.1682 3.5224 3.5255 3.9728 3.9796 5.1226 5.1268 5.2232 5.2256 13.9956 13.9969 14.8145 14.8145 15.7861 15.7872 16.0061 16.0097 k = 0.3937 0.5723 0.1578 ( 6797 PWs) bands (ev): -37.0296 -37.0296 -37.0226 -37.0226 -13.4780 -13.4780 -13.1708 -13.1708 -11.9281 -11.9280 -11.8551 -11.8550 -1.7365 -1.7364 -1.2146 -1.2137 0.0376 0.0425 0.3181 0.3230 1.7712 1.7773 2.3726 2.3747 2.9371 2.9409 3.1725 3.1828 3.5493 3.5523 4.0431 4.0499 5.1146 5.1192 5.2247 5.2271 13.9725 13.9738 14.8774 14.8775 15.8280 15.8292 16.0595 16.0631 k = 0.3870 0.5796 0.1677 ( 6793 PWs) bands (ev): -37.0300 -37.0300 -37.0222 -37.0222 -13.4981 -13.4981 -13.1523 -13.1522 -11.9281 -11.9279 -11.8473 -11.8472 -1.7719 -1.7717 -1.1932 -1.1923 0.0067 0.0117 0.3187 0.3238 1.7237 1.7299 2.3454 2.3476 2.9662 2.9704 3.1874 3.1983 3.5747 3.5777 4.1118 4.1186 5.1061 5.1110 5.2253 5.2276 13.9513 13.9526 14.9431 14.9431 15.8723 15.8735 16.1133 16.1169 k = 0.3804 0.5869 0.1775 ( 6797 PWs) bands (ev): -37.0305 -37.0305 -37.0217 -37.0217 -13.5192 -13.5192 -13.1328 -13.1327 -11.9278 -11.9277 -11.8390 -11.8389 -1.8085 -1.8084 -1.1721 -1.1711 -0.0251 -0.0201 0.3192 0.3245 1.6786 1.6850 2.3207 2.3229 2.9965 3.0012 3.2031 3.2145 3.5987 3.6017 4.1789 4.1857 5.0968 5.1021 5.2248 5.2270 13.9323 13.9334 15.0111 15.0111 15.9189 15.9202 16.1674 16.1710 k = 0.3738 0.5942 0.1874 ( 6803 PWs) bands (ev): -37.0309 -37.0309 -37.0213 -37.0213 -13.5414 -13.5413 -13.1123 -13.1122 -11.9273 -11.9271 -11.8304 -11.8303 -1.8462 -1.8461 -1.1515 -1.1504 -0.0578 -0.0527 0.3197 0.3252 1.6360 1.6425 2.2987 2.3009 3.0279 3.0331 3.2196 3.2316 3.6213 3.6242 4.2442 4.2510 5.0869 5.0926 5.2231 5.2252 13.9155 13.9165 15.0811 15.0811 15.9677 15.9690 16.2215 16.2251 k = 0.3671 0.6015 0.1973 ( 6809 PWs) bands (ev): -37.0314 -37.0314 -37.0208 -37.0208 -13.5645 -13.5644 -13.0908 -13.0908 -11.9265 -11.9264 -11.8214 -11.8213 -1.8851 -1.8849 -1.1315 -1.1303 -0.0913 -0.0862 0.3200 0.3257 1.5958 1.6024 2.2795 2.2817 3.0602 3.0661 3.2369 3.2496 3.6424 3.6453 4.3075 4.3143 5.0762 5.0823 5.2202 5.2221 13.9010 13.9020 15.1526 15.1527 16.0186 16.0201 16.2756 16.2791 k = 0.3605 0.6088 0.2071 ( 6817 PWs) bands (ev): -37.0319 -37.0319 -37.0203 -37.0203 -13.5885 -13.5884 -13.0685 -13.0684 -11.9254 -11.9253 -11.8121 -11.8119 -1.9248 -1.9246 -1.1125 -1.1112 -0.1254 -0.1203 0.3204 0.3262 1.5581 1.5647 2.2636 2.2658 3.0933 3.0998 3.2550 3.2685 3.6621 3.6649 4.3686 4.3754 5.0648 5.0712 5.2160 5.2177 13.8892 13.8901 15.2252 15.2252 16.0716 16.0731 16.3294 16.3329 k = 0.3538 0.6161 0.2170 ( 6829 PWs) bands (ev): -37.0325 -37.0325 -37.0197 -37.0197 -13.6134 -13.6133 -13.0452 -13.0451 -11.9241 -11.9239 -11.8024 -11.8022 -1.9653 -1.9651 -1.0945 -1.0932 -0.1601 -0.1549 0.3206 0.3266 1.5227 1.5295 2.2510 2.2532 3.1269 3.1341 3.2742 3.2885 3.6802 3.6830 4.4275 4.4343 5.0525 5.0594 5.2103 5.2119 13.8799 13.8807 15.2982 15.2982 16.1266 16.1281 16.3830 16.3865 k = 0.3538 0.6161 0.2170 ( 6829 PWs) bands (ev): -37.0325 -37.0325 -37.0197 -37.0197 -13.6134 -13.6133 -13.0452 -13.0451 -11.9241 -11.9239 -11.8024 -11.8022 -1.9653 -1.9651 -1.0945 -1.0932 -0.1601 -0.1549 0.3206 0.3266 1.5227 1.5295 2.2510 2.2532 3.1269 3.1341 3.2742 3.2885 3.6802 3.6830 4.4275 4.4343 5.0525 5.0594 5.2103 5.2119 13.8799 13.8807 15.2982 15.2982 16.1266 16.1281 16.3830 16.3865 k = 0.3416 0.6121 0.2223 ( 6831 PWs) bands (ev): -37.0328 -37.0328 -37.0194 -37.0194 -13.6287 -13.6287 -13.0307 -13.0307 -11.9229 -11.9228 -11.7969 -11.7968 -1.9895 -1.9893 -1.0838 -1.0824 -0.1797 -0.1745 0.3198 0.3259 1.5060 1.5128 2.2466 2.2488 3.1440 3.1517 3.2835 3.2983 3.6908 3.6937 4.4592 4.4660 5.0456 5.0527 5.2063 5.2077 13.8774 13.8782 15.3382 15.3382 16.1556 16.1572 16.4105 16.4138 k = 0.3294 0.6082 0.2276 ( 6829 PWs) bands (ev): -37.0332 -37.0332 -37.0190 -37.0190 -13.6469 -13.6469 -13.0135 -13.0134 -11.9211 -11.9209 -11.7912 -11.7910 -2.0177 -2.0175 -1.0709 -1.0694 -0.2007 -0.1954 0.3175 0.3237 1.4927 1.4995 2.2448 2.2473 3.1584 3.1666 3.2908 3.3061 3.7037 3.7068 4.4917 4.4984 5.0387 5.0460 5.2011 5.2024 13.8786 13.8794 15.3795 15.3795 16.1822 16.1839 16.4352 16.4386 k = 0.3172 0.6043 0.2329 ( 6831 PWs) bands (ev): -37.0336 -37.0336 -37.0186 -37.0186 -13.6672 -13.6672 -12.9942 -12.9942 -11.9184 -11.9183 -11.7851 -11.7850 -2.0493 -2.0492 -1.0563 -1.0547 -0.2228 -0.2174 0.3138 0.3200 1.4827 1.4895 2.2453 2.2481 3.1695 3.1782 3.2971 3.3130 3.7184 3.7218 4.5245 4.5311 5.0320 5.0396 5.1948 5.1959 13.8834 13.8841 15.4219 15.4220 16.2064 16.2081 16.4576 16.4608 k = 0.3050 0.6004 0.2383 ( 6831 PWs) bands (ev): -37.0341 -37.0341 -37.0181 -37.0181 -13.6889 -13.6889 -12.9738 -12.9737 -11.9151 -11.9149 -11.7788 -11.7786 -2.0838 -2.0836 -1.0405 -1.0387 -0.2455 -0.2400 0.3088 0.3150 1.4759 1.4827 2.2478 2.2510 3.1766 3.1855 3.3042 3.3203 3.7344 3.7381 4.5572 4.5635 5.0261 5.0337 5.1876 5.1885 13.8918 13.8926 15.4654 15.4654 16.2278 16.2295 16.4776 16.4808 k = 0.2928 0.5964 0.2436 ( 6828 PWs) bands (ev): -37.0346 -37.0346 -37.0176 -37.0176 -13.7115 -13.7114 -12.9528 -12.9527 -11.9110 -11.9108 -11.7722 -11.7720 -2.1205 -2.1203 -1.0241 -1.0221 -0.2686 -0.2628 0.3027 0.3089 1.4721 1.4790 2.2520 2.2556 3.1790 3.1878 3.3135 3.3293 3.7513 3.7553 4.5888 4.5948 5.0212 5.0290 5.1796 5.1803 13.9039 13.9046 15.5096 15.5097 16.2462 16.2480 16.4957 16.4987 k = 0.2806 0.5925 0.2489 ( 6831 PWs) bands (ev): -37.0351 -37.0351 -37.0171 -37.0171 -13.7345 -13.7344 -12.9316 -12.9315 -11.9062 -11.9060 -11.7653 -11.7652 -2.1590 -2.1588 -1.0077 -1.0055 -0.2913 -0.2852 0.2954 0.3016 1.4714 1.4782 2.2574 2.2614 3.1767 3.1848 3.3257 3.3408 3.7685 3.7729 4.6185 4.6242 5.0180 5.0258 5.1710 5.1714 13.9196 13.9203 15.5544 15.5546 16.2615 16.2633 16.5118 16.5148 k = 0.2684 0.5886 0.2542 ( 6827 PWs) bands (ev): -37.0356 -37.0356 -37.0166 -37.0166 -13.7576 -13.7575 -12.9107 -12.9106 -11.9007 -11.9006 -11.7582 -11.7580 -2.1988 -2.1986 -0.9919 -0.9894 -0.3132 -0.3068 0.2871 0.2933 1.4735 1.4803 2.2636 2.2682 3.1700 3.1774 3.3408 3.3549 3.7855 3.7902 4.6454 4.6506 5.0173 5.0249 5.1619 5.1622 13.9389 13.9396 15.5996 15.5998 16.2735 16.2753 16.5263 16.5292 k = 0.2562 0.5846 0.2595 ( 6829 PWs) bands (ev): -37.0361 -37.0361 -37.0161 -37.0161 -13.7805 -13.7805 -12.8903 -12.8902 -11.8946 -11.8945 -11.7508 -11.7506 -2.2393 -2.2391 -0.9773 -0.9745 -0.3335 -0.3268 0.2779 0.2841 1.4783 1.4850 2.2703 2.2754 3.1596 3.1666 3.3584 3.3717 3.8021 3.8071 4.6681 4.6729 5.0198 5.0271 5.1525 5.1527 13.9618 13.9625 15.6448 15.6452 16.2821 16.2840 16.5393 16.5420 k = 0.2440 0.5807 0.2648 ( 6822 PWs) bands (ev): -37.0366 -37.0366 -37.0156 -37.0156 -13.8031 -13.8031 -12.8707 -12.8706 -11.8880 -11.8878 -11.7431 -11.7430 -2.2802 -2.2801 -0.9646 -0.9615 -0.3517 -0.3446 0.2678 0.2740 1.4856 1.4923 2.2771 2.2827 3.1465 3.1531 3.3781 3.3907 3.8180 3.8233 4.6856 4.6901 5.0262 5.0332 5.1430 5.1434 13.9882 13.9890 15.6897 15.6902 16.2874 16.2892 16.5508 16.5534 k = 0.2318 0.5768 0.2702 ( 6822 PWs) bands (ev): -37.0371 -37.0371 -37.0151 -37.0151 -13.8252 -13.8251 -12.8520 -12.8520 -11.8809 -11.8807 -11.7352 -11.7351 -2.3212 -2.3210 -0.9542 -0.9508 -0.3670 -0.3595 0.2568 0.2630 1.4953 1.5019 2.2837 2.2897 3.1313 3.1378 3.3997 3.4117 3.8330 3.8385 4.6969 4.7014 5.0371 5.0435 5.1336 5.1343 14.0182 14.0190 15.7338 15.7344 16.2895 16.2913 16.5610 16.5635 k = 0.2196 0.5729 0.2755 ( 6829 PWs) bands (ev): -37.0376 -37.0376 -37.0146 -37.0146 -13.8465 -13.8465 -12.8344 -12.8344 -11.8735 -11.8733 -11.7271 -11.7269 -2.3619 -2.3617 -0.9467 -0.9431 -0.3787 -0.3710 0.2450 0.2512 1.5071 1.5136 2.2897 2.2961 3.1147 3.1212 3.4229 3.4345 3.8469 3.8528 4.7016 4.7064 5.0524 5.0581 5.1246 5.1256 14.0517 14.0524 15.7764 15.7772 16.2889 16.2907 16.5700 16.5724 k = 0.2074 0.5689 0.2808 ( 6829 PWs) bands (ev): -37.0381 -37.0381 -37.0141 -37.0141 -13.8671 -13.8671 -12.8179 -12.8179 -11.8658 -11.8656 -11.7188 -11.7186 -2.4019 -2.4017 -0.9425 -0.9388 -0.3864 -0.3785 0.2325 0.2385 1.5209 1.5273 2.2948 2.3016 3.0973 3.1038 3.4476 3.4589 3.8599 3.8659 4.7000 4.7053 5.0714 5.0764 5.1162 5.1176 14.0886 14.0894 15.8163 15.8174 16.2862 16.2879 16.5776 16.5800 k = 0.1952 0.5650 0.2861 ( 6827 PWs) bands (ev): -37.0386 -37.0386 -37.0137 -37.0137 -13.8868 -13.8868 -12.8026 -12.8026 -11.8579 -11.8577 -11.7102 -11.7101 -2.4410 -2.4409 -0.9417 -0.9380 -0.3897 -0.3817 0.2191 0.2252 1.5364 1.5428 2.2987 2.3059 3.0794 3.0860 3.4737 3.4848 3.8718 3.8781 4.6926 4.6986 5.0927 5.0960 5.1090 5.1121 14.1289 14.1297 15.8522 15.8536 16.2828 16.2843 16.5841 16.5863 k = 0.1830 0.5611 0.2914 ( 6827 PWs) bands (ev): -37.0390 -37.0390 -37.0133 -37.0133 -13.9056 -13.9056 -12.7885 -12.7885 -11.8500 -11.8499 -11.7016 -11.7014 -2.4790 -2.4788 -0.9443 -0.9406 -0.3886 -0.3805 0.2050 0.2110 1.5536 1.5599 2.3013 2.3089 3.0615 3.0682 3.5009 3.5120 3.8829 3.8895 4.6803 4.6869 5.0995 5.1005 5.1190 5.1245 14.1725 14.1733 15.8820 15.8837 16.2804 16.2817 16.5894 16.5915 k = 0.1708 0.5572 0.2967 ( 6836 PWs) bands (ev): -37.0394 -37.0394 -37.0129 -37.0129 -13.9234 -13.9234 -12.7756 -12.7756 -11.8423 -11.8421 -11.6928 -11.6927 -2.5155 -2.5154 -0.9501 -0.9465 -0.3832 -0.3751 0.1901 0.1961 1.5721 1.5783 2.3024 2.3102 3.0439 3.0505 3.5293 3.5403 3.8933 3.9001 4.6638 4.6708 5.0942 5.0951 5.1435 5.1483 14.2193 14.2202 15.9028 15.9049 16.2814 16.2824 16.5935 16.5956 k = 0.1586 0.5532 0.3020 ( 6826 PWs) bands (ev): -37.0398 -37.0398 -37.0125 -37.0125 -13.9401 -13.9401 -12.7639 -12.7638 -11.8347 -11.8346 -11.6840 -11.6839 -2.5505 -2.5503 -0.9585 -0.9551 -0.3738 -0.3658 0.1745 0.1805 1.5917 1.5978 2.3018 2.3098 3.0267 3.0333 3.5584 3.5694 3.9033 3.9103 4.6437 4.6511 5.0889 5.0900 5.1688 5.1732 14.2692 14.2702 15.9121 15.9146 16.2884 16.2890 16.5966 16.5986 k = 0.1464 0.5493 0.3074 ( 6828 PWs) bands (ev): -37.0402 -37.0402 -37.0121 -37.0121 -13.9557 -13.9557 -12.7533 -12.7532 -11.8275 -11.8273 -11.6753 -11.6752 -2.5836 -2.5835 -0.9689 -0.9658 -0.3610 -0.3532 0.1582 0.1641 1.6123 1.6182 2.2996 2.3076 3.0104 3.0168 3.5879 3.5989 3.9132 3.9203 4.6205 4.6281 5.0845 5.0855 5.1939 5.1978 14.3221 14.3231 15.9079 15.9108 16.3028 16.3031 16.5988 16.6007 k = 0.1342 0.5454 0.3127 ( 6829 PWs) bands (ev): -37.0405 -37.0405 -37.0118 -37.0118 -13.9702 -13.9702 -12.7438 -12.7438 -11.8206 -11.8205 -11.6667 -11.6666 -2.6147 -2.6146 -0.9808 -0.9779 -0.3453 -0.3376 0.1411 0.1470 1.6336 1.6393 2.2956 2.3037 2.9950 3.0013 3.6175 3.6285 3.9234 3.9307 4.5946 4.6023 5.0808 5.0818 5.2180 5.2216 14.3778 14.3789 15.8903 15.8934 16.3244 16.3247 16.6001 16.6020 k = 0.1220 0.5414 0.3180 ( 6835 PWs) bands (ev): -37.0409 -37.0409 -37.0115 -37.0115 -13.9835 -13.9835 -12.7354 -12.7353 -11.8142 -11.8141 -11.6583 -11.6582 -2.6437 -2.6436 -0.9934 -0.9909 -0.3272 -0.3197 0.1233 0.1292 1.6552 1.6608 2.2900 2.2980 2.9808 2.9868 3.6465 3.6574 3.9346 3.9420 4.5663 4.5741 5.0778 5.0788 5.2410 5.2443 14.4361 14.4373 15.8608 15.8640 16.3516 16.3519 16.6007 16.6025 k = 0.1098 0.5375 0.3233 ( 6837 PWs) bands (ev): -37.0412 -37.0412 -37.0112 -37.0112 -13.9956 -13.9956 -12.7279 -12.7279 -11.8083 -11.8082 -11.6502 -11.6501 -2.6703 -2.6702 -1.0064 -1.0041 -0.3073 -0.3000 0.1048 0.1108 1.6770 1.6824 2.2830 2.2908 2.9678 2.9734 3.6744 3.6849 3.9474 3.9548 4.5360 4.5438 5.0755 5.0764 5.2625 5.2654 14.4968 14.4980 15.8214 15.8247 16.3821 16.3826 16.6008 16.6026 k = 0.0976 0.5336 0.3286 ( 6834 PWs) bands (ev): -37.0414 -37.0414 -37.0109 -37.0109 -14.0065 -14.0065 -12.7214 -12.7214 -11.8029 -11.8028 -11.6427 -11.6426 -2.6945 -2.6944 -1.0190 -1.0171 -0.2859 -0.2788 0.0857 0.0916 1.6986 1.7037 2.2747 2.2822 2.9562 2.9614 3.7003 3.7103 3.9626 3.9698 4.5040 4.5117 5.0737 5.0746 5.2821 5.2848 14.5595 14.5608 15.7743 15.7775 16.4139 16.4146 16.6006 16.6023 k = 0.0854 0.5297 0.3339 ( 6828 PWs) bands (ev): -37.0416 -37.0416 -37.0107 -37.0107 -14.0162 -14.0161 -12.7159 -12.7158 -11.7981 -11.7981 -11.6356 -11.6356 -2.7161 -2.7161 -1.0311 -1.0294 -0.2634 -0.2565 0.0659 0.0718 1.7196 1.7244 2.2655 2.2726 2.9460 2.9507 3.7235 3.7327 3.9809 3.9877 4.4704 4.4779 5.0724 5.0732 5.2998 5.3022 14.6238 14.6252 15.7213 15.7244 16.4453 16.4460 16.6002 16.6019 k = 0.0732 0.5257 0.3393 ( 6829 PWs) bands (ev): -37.0419 -37.0419 -37.0105 -37.0105 -14.0245 -14.0245 -12.7111 -12.7111 -11.7940 -11.7939 -11.6293 -11.6292 -2.7351 -2.7350 -1.0421 -1.0407 -0.2402 -0.2335 0.0455 0.0514 1.7396 1.7441 2.2559 2.2624 2.9372 2.9414 3.7434 3.7516 4.0027 4.0089 4.4356 4.4429 5.0715 5.0722 5.3155 5.3175 14.6891 14.6906 15.6639 15.6669 16.4746 16.4754 16.5999 16.6015 k = 0.0610 0.5218 0.3446 ( 6826 PWs) bands (ev): -37.0420 -37.0420 -37.0103 -37.0103 -14.0317 -14.0317 -12.7072 -12.7072 -11.7905 -11.7904 -11.6237 -11.6237 -2.7513 -2.7512 -1.0519 -1.0507 -0.2166 -0.2100 0.0246 0.0305 1.7581 1.7621 2.2462 2.2520 2.9299 2.9335 3.7598 3.7666 4.0280 4.0337 4.3999 4.4070 5.0709 5.0715 5.3289 5.3305 14.7546 14.7561 15.6040 15.6069 16.5006 16.5015 16.6000 16.6016 k = 0.0488 0.5179 0.3499 ( 6824 PWs) bands (ev): -37.0422 -37.0422 -37.0102 -37.0102 -14.0375 -14.0375 -12.7040 -12.7040 -11.7876 -11.7875 -11.6191 -11.6190 -2.7647 -2.7646 -1.0601 -1.0592 -0.1927 -0.1864 0.0033 0.0091 1.7747 1.7781 2.2371 2.2420 2.9240 2.9269 3.7726 3.7780 4.0564 4.0616 4.3637 4.3704 5.0705 5.0710 5.3400 5.3413 14.8189 14.8204 15.5435 15.5461 16.5221 16.5231 16.6008 16.6023 k = 0.0366 0.5139 0.3552 ( 6823 PWs) bands (ev): -37.0423 -37.0423 -37.0101 -37.0101 -14.0421 -14.0421 -12.7016 -12.7016 -11.7853 -11.7853 -11.6153 -11.6153 -2.7751 -2.7751 -1.0667 -1.0660 -0.1691 -0.1630 -0.0182 -0.0125 1.7886 1.7913 2.2292 2.2331 2.9196 2.9218 3.7821 3.7861 4.0870 4.0919 4.3276 4.3339 5.0703 5.0706 5.3487 5.3497 14.8798 14.8813 15.4852 15.4875 16.5385 16.5394 16.6025 16.6038 k = 0.0244 0.5100 0.3605 ( 6819 PWs) bands (ev): -37.0423 -37.0423 -37.0100 -37.0100 -14.0453 -14.0453 -12.6999 -12.6999 -11.7837 -11.7836 -11.6126 -11.6126 -2.7826 -2.7826 -1.0714 -1.0710 -0.1461 -0.1404 -0.0393 -0.0339 1.7993 1.8012 2.2232 2.2259 2.9165 2.9180 3.7887 3.7913 4.1184 4.1229 4.2929 4.2985 5.0702 5.0704 5.3551 5.3557 14.9334 14.9346 15.4335 15.4352 16.5495 16.5502 16.6050 16.6059 k = 0.0122 0.5061 0.3658 ( 6821 PWs) bands (ev): -37.0424 -37.0424 -37.0100 -37.0100 -14.0473 -14.0473 -12.6989 -12.6989 -11.7827 -11.7827 -11.6110 -11.6110 -2.7871 -2.7871 -1.0743 -1.0741 -0.1254 -0.1209 -0.0580 -0.0537 1.8061 1.8071 2.2197 2.2210 2.9149 2.9156 3.7927 3.7940 4.1471 4.1506 4.2633 4.2674 5.0702 5.0703 5.3589 5.3593 14.9726 14.9733 15.3957 15.3967 16.5556 16.5559 16.6073 16.6078 k = 0.0000 0.5022 0.3711 ( 6820 PWs) bands (ev): -37.0424 -37.0424 -37.0099 -37.0099 -14.0479 -14.0479 -12.6985 -12.6985 -11.7824 -11.7824 -11.6104 -11.6104 -2.7886 -2.7886 -1.0752 -1.0752 -0.1130 -0.1130 -0.0656 -0.0656 1.8088 1.8088 2.2189 2.2189 2.9146 2.9146 3.7945 3.7945 4.1627 4.1627 4.2509 4.2509 5.0702 5.0702 5.3603 5.3603 14.9877 14.9877 15.3816 15.3816 16.5576 16.5576 16.6084 16.6084 k = 0.0000 0.5022 0.3711 ( 6820 PWs) bands (ev): -37.0424 -37.0424 -37.0099 -37.0099 -14.0479 -14.0479 -12.6985 -12.6985 -11.7824 -11.7824 -11.6104 -11.6104 -2.7886 -2.7886 -1.0752 -1.0752 -0.1130 -0.1130 -0.0656 -0.0656 1.8088 1.8088 2.2189 2.2189 2.9146 2.9146 3.7945 3.7945 4.1627 4.1627 4.2509 4.2509 5.0702 5.0702 5.3603 5.3603 14.9877 14.9877 15.3816 15.3816 16.5576 16.5576 16.6084 16.6084 k = 0.0066 0.4949 0.3809 ( 6818 PWs) bands (ev): -37.0424 -37.0424 -37.0100 -37.0100 -14.0474 -14.0474 -12.6989 -12.6989 -11.7827 -11.7827 -11.6106 -11.6106 -2.7882 -2.7882 -1.0762 -1.0761 -0.1136 -0.1132 -0.0647 -0.0647 1.8078 1.8079 2.2188 2.2196 2.9153 2.9159 3.7951 3.7951 4.1632 4.1638 4.2512 4.2513 5.0694 5.0697 5.3597 5.3598 14.9887 14.9888 15.3830 15.3831 16.5574 16.5576 16.6080 16.6082 k = 0.0132 0.4877 0.3907 ( 6822 PWs) bands (ev): -37.0424 -37.0424 -37.0100 -37.0100 -14.0456 -14.0456 -12.6999 -12.6999 -11.7836 -11.7836 -11.6112 -11.6112 -2.7871 -2.7871 -1.0794 -1.0792 -0.1148 -0.1141 -0.0622 -0.0622 1.8050 1.8052 2.2194 2.2208 2.9179 2.9191 3.7970 3.7970 4.1653 4.1666 4.2523 4.2526 5.0672 5.0679 5.3578 5.3581 14.9917 14.9918 15.3871 15.3873 16.5570 16.5573 16.6069 16.6073 k = 0.0197 0.4805 0.4004 ( 6822 PWs) bands (ev): -37.0423 -37.0423 -37.0101 -37.0101 -14.0427 -14.0427 -12.7017 -12.7017 -11.7852 -11.7852 -11.6122 -11.6122 -2.7852 -2.7852 -1.0846 -1.0842 -0.1168 -0.1156 -0.0579 -0.0579 1.8005 1.8007 2.2205 2.2226 2.9224 2.9242 3.8001 3.8001 4.1691 4.1709 4.2542 4.2546 5.0637 5.0647 5.3548 5.3551 14.9968 14.9970 15.3940 15.3943 16.5564 16.5569 16.6053 16.6057 k = 0.0263 0.4733 0.4102 ( 6824 PWs) bands (ev): -37.0422 -37.0422 -37.0102 -37.0102 -14.0387 -14.0387 -12.7041 -12.7041 -11.7873 -11.7873 -11.6135 -11.6135 -2.7825 -2.7825 -1.0918 -1.0913 -0.1194 -0.1178 -0.0521 -0.0521 1.7945 1.7948 2.2222 2.2250 2.9287 2.9310 3.8044 3.8044 4.1744 4.1769 4.2568 4.2574 5.0589 5.0602 5.3505 5.3510 15.0039 15.0041 15.4035 15.4040 16.5556 16.5563 16.6030 16.6036 k = 0.0329 0.4661 0.4200 ( 6824 PWs) bands (ev): -37.0421 -37.0421 -37.0103 -37.0103 -14.0335 -14.0335 -12.7073 -12.7073 -11.7901 -11.7900 -11.6152 -11.6152 -2.7790 -2.7790 -1.1010 -1.1004 -0.1226 -0.1207 -0.0449 -0.0449 1.7873 1.7876 2.2246 2.2280 2.9365 2.9393 3.8098 3.8098 4.1814 4.1845 4.2602 4.2609 5.0528 5.0545 5.3451 5.3457 15.0130 15.0133 15.4158 15.4164 16.5549 16.5557 16.6002 16.6010 k = 0.0395 0.4588 0.4297 ( 6822 PWs) bands (ev): -37.0419 -37.0419 -37.0104 -37.0104 -14.0272 -14.0272 -12.7113 -12.7113 -11.7933 -11.7933 -11.6173 -11.6173 -2.7747 -2.7747 -1.1121 -1.1115 -0.1264 -0.1242 -0.0364 -0.0363 1.7792 1.7795 2.2275 2.2316 2.9456 2.9489 3.8162 3.8162 4.1899 4.1936 4.2644 4.2652 5.0454 5.0474 5.3386 5.3393 15.0242 15.0245 15.4307 15.4314 16.5541 16.5551 16.5969 16.5979 k = 0.0461 0.4516 0.4395 ( 6822 PWs) bands (ev): -37.0417 -37.0417 -37.0106 -37.0106 -14.0197 -14.0197 -12.7161 -12.7161 -11.7969 -11.7969 -11.6198 -11.6198 -2.7696 -2.7696 -1.1252 -1.1245 -0.1308 -0.1283 -0.0268 -0.0267 1.7707 1.7710 2.2309 2.2356 2.9558 2.9595 3.8235 3.8236 4.1999 4.2042 4.2693 4.2702 5.0367 5.0391 5.3309 5.3317 15.0373 15.0377 15.4480 15.4489 16.5535 16.5546 16.5933 16.5944 k = 0.0526 0.4444 0.4493 ( 6824 PWs) bands (ev): -37.0415 -37.0415 -37.0108 -37.0108 -14.0111 -14.0111 -12.7217 -12.7216 -11.8010 -11.8010 -11.6226 -11.6226 -2.7636 -2.7636 -1.1402 -1.1394 -0.1356 -0.1329 -0.0164 -0.0163 1.7621 1.7624 2.2350 2.2403 2.9669 2.9711 3.8316 3.8317 4.2114 4.2163 4.2749 4.2759 5.0268 5.0295 5.3220 5.3230 15.0525 15.0529 15.4678 15.4688 16.5532 16.5543 16.5894 16.5906 k = 0.0592 0.4372 0.4590 ( 6824 PWs) bands (ev): -37.0413 -37.0413 -37.0110 -37.0110 -14.0014 -14.0014 -12.7281 -12.7281 -11.8054 -11.8054 -11.6258 -11.6258 -2.7567 -2.7567 -1.1570 -1.1561 -0.1409 -0.1379 -0.0054 -0.0052 1.7540 1.7542 2.2396 2.2454 2.9787 2.9832 3.8403 3.8405 4.2243 4.2297 4.2812 4.2823 5.0157 5.0188 5.3121 5.3132 15.0696 15.0700 15.4899 15.4910 16.5531 16.5544 16.5853 16.5867 k = 0.0658 0.4300 0.4688 ( 6832 PWs) bands (ev): -37.0410 -37.0410 -37.0113 -37.0113 -13.9906 -13.9906 -12.7355 -12.7354 -11.8100 -11.8100 -11.6293 -11.6293 -2.7489 -2.7489 -1.1755 -1.1746 -0.1466 -0.1433 0.0059 0.0061 1.7467 1.7468 2.2447 2.2510 2.9909 2.9957 3.8496 3.8498 4.2385 4.2444 4.2882 4.2894 5.0035 5.0070 5.3011 5.3023 15.0887 15.0891 15.5141 15.5153 16.5536 16.5548 16.5813 16.5828 k = 0.0724 0.4227 0.4786 ( 6830 PWs) bands (ev): -37.0407 -37.0407 -37.0116 -37.0116 -13.9787 -13.9787 -12.7438 -12.7437 -11.8149 -11.8148 -11.6332 -11.6331 -2.7402 -2.7401 -1.1958 -1.1948 -0.1525 -0.1490 0.0171 0.0174 1.7406 1.7407 2.2502 2.2571 3.0033 3.0085 3.8591 3.8595 4.2539 4.2604 4.2958 4.2970 4.9902 4.9941 5.2891 5.2904 15.1096 15.1102 15.5403 15.5415 16.5545 16.5558 16.5774 16.5791 k = 0.0789 0.4155 0.4883 ( 6834 PWs) bands (ev): -37.0404 -37.0404 -37.0119 -37.0119 -13.9658 -13.9658 -12.7530 -12.7530 -11.8198 -11.8198 -11.6374 -11.6373 -2.7304 -2.7304 -1.2177 -1.2167 -0.1586 -0.1550 0.0281 0.0284 1.7362 1.7363 2.2563 2.2635 3.0159 3.0213 3.8687 3.8692 4.2704 4.2774 4.3041 4.3053 4.9759 4.9802 5.2760 5.2774 15.1325 15.1330 15.5682 15.5695 16.5560 16.5573 16.5738 16.5756 k = 0.0855 0.4083 0.4981 ( 6840 PWs) bands (ev): -37.0401 -37.0401 -37.0122 -37.0122 -13.9518 -13.9517 -12.7633 -12.7633 -11.8247 -11.8247 -11.6419 -11.6419 -2.7197 -2.7197 -1.2412 -1.2401 -0.1648 -0.1610 0.0384 0.0388 1.7338 1.7341 2.2627 2.2704 3.0285 3.0341 3.8782 3.8789 4.2879 4.2955 4.3130 4.3141 4.9608 4.9655 5.2619 5.2635 15.1571 15.1577 15.5975 15.5990 16.5583 16.5595 16.5709 16.5728 k = 0.0921 0.4011 0.5079 ( 6842 PWs) bands (ev): -37.0397 -37.0397 -37.0125 -37.0125 -13.9367 -13.9367 -12.7746 -12.7746 -11.8296 -11.8296 -11.6467 -11.6467 -2.7080 -2.7079 -1.2662 -1.2651 -0.1710 -0.1671 0.0477 0.0482 1.7339 1.7344 2.2695 2.2776 3.0409 3.0468 3.8873 3.8882 4.3061 4.3143 4.3225 4.3236 4.9450 4.9501 5.2469 5.2486 15.1835 15.1841 15.6281 15.6296 16.5612 16.5624 16.5687 16.5707 k = 0.0987 0.3939 0.5176 ( 6840 PWs) bands (ev): -37.0393 -37.0393 -37.0129 -37.0129 -13.9206 -13.9206 -12.7871 -12.7870 -11.8343 -11.8343 -11.6518 -11.6518 -2.6952 -2.6951 -1.2926 -1.2915 -0.1771 -0.1732 0.0559 0.0565 1.7367 1.7374 2.2767 2.2851 3.0532 3.0592 3.8959 3.8970 4.3245 4.3323 4.3333 4.3351 4.9286 4.9342 5.2310 5.2327 15.2115 15.2122 15.6595 15.6611 16.5650 16.5656 16.5680 16.5697 k = 0.1053 0.3867 0.5274 ( 6842 PWs) bands (ev): -37.0389 -37.0389 -37.0133 -37.0133 -13.9035 -13.9035 -12.8006 -12.8005 -11.8388 -11.8387 -11.6573 -11.6572 -2.6813 -2.6813 -1.3204 -1.3193 -0.1831 -0.1791 0.0625 0.0632 1.7425 1.7434 2.2840 2.2928 3.0653 3.0714 3.9036 3.9048 4.3399 4.3433 4.3482 4.3547 4.9118 4.9179 5.2143 5.2161 15.2411 15.2418 15.6915 15.6931 16.5672 16.5693 16.5701 16.5711 k = 0.1118 0.3794 0.5372 ( 6838 PWs) bands (ev): -37.0385 -37.0385 -37.0137 -37.0137 -13.8854 -13.8854 -12.8152 -12.8152 -11.8429 -11.8429 -11.6630 -11.6629 -2.6663 -2.6663 -1.3494 -1.3484 -0.1888 -0.1847 0.0675 0.0683 1.7515 1.7527 2.2916 2.3006 3.0772 3.0834 3.9101 3.9115 4.3517 4.3540 4.3675 4.3755 4.8948 4.9014 5.1966 5.1985 15.2721 15.2728 15.7234 15.7251 16.5691 16.5716 16.5750 16.5763 k = 0.1184 0.3722 0.5469 ( 6844 PWs) bands (ev): -37.0380 -37.0380 -37.0141 -37.0141 -13.8664 -13.8664 -12.8310 -12.8310 -11.8468 -11.8467 -11.6689 -11.6689 -2.6502 -2.6502 -1.3797 -1.3787 -0.1941 -0.1900 0.0707 0.0716 1.7638 1.7653 2.2993 2.3085 3.0889 3.0952 3.9151 3.9167 4.3632 4.3651 4.3880 4.3966 4.8779 4.8850 5.1782 5.1802 15.3044 15.3051 15.7550 15.7566 16.5727 16.5753 16.5812 16.5825 k = 0.1250 0.3650 0.5567 ( 6846 PWs) bands (ev): -37.0375 -37.0375 -37.0146 -37.0146 -13.8465 -13.8464 -12.8480 -12.8479 -11.8501 -11.8501 -11.6751 -11.6751 -2.6330 -2.6330 -1.4111 -1.4101 -0.1990 -0.1949 0.0719 0.0729 1.7794 1.7812 2.3070 2.3165 3.1005 3.1067 3.9182 3.9200 4.3749 4.3766 4.4089 4.4179 4.8613 4.8689 5.1591 5.1612 15.3378 15.3385 15.7857 15.7873 16.5785 16.5812 16.5883 16.5895 k = 0.1316 0.3578 0.5665 ( 6846 PWs) bands (ev): -37.0371 -37.0371 -37.0151 -37.0151 -13.8256 -13.8255 -12.8661 -12.8660 -11.8530 -11.8530 -11.6815 -11.6815 -2.6147 -2.6147 -1.4436 -1.4426 -0.2034 -0.1993 0.0711 0.0723 1.7982 1.8004 2.3147 2.3244 3.1120 3.1183 3.9192 3.9212 4.3869 4.3884 4.4300 4.4393 4.8453 4.8533 5.1393 5.1414 15.3721 15.3729 15.8150 15.8166 16.5867 16.5893 16.5962 16.5973 k = 0.1382 0.3506 0.5762 ( 6842 PWs) bands (ev): -37.0365 -37.0365 -37.0156 -37.0156 -13.8039 -13.8038 -12.8853 -12.8852 -11.8554 -11.8554 -11.6881 -11.6881 -2.5952 -2.5952 -1.4770 -1.4760 -0.2072 -0.2031 0.0683 0.0696 1.8202 1.8227 2.3223 2.3321 3.1236 3.1298 3.9176 3.9198 4.3994 4.4007 4.4509 4.4607 4.8300 4.8386 5.1188 5.1210 15.4072 15.4081 15.8425 15.8440 16.5973 16.6000 16.6048 16.6059 k = 0.1447 0.3433 0.5860 ( 6836 PWs) bands (ev): -37.0360 -37.0360 -37.0161 -37.0161 -13.7813 -13.7812 -12.9056 -12.9056 -11.8572 -11.8572 -11.6949 -11.6949 -2.5746 -2.5746 -1.5112 -1.5103 -0.2103 -0.2062 0.0637 0.0651 1.8451 1.8479 2.3297 2.3396 3.1353 3.1414 3.9132 3.9155 4.4124 4.4135 4.4717 4.4817 4.8158 4.8249 5.0978 5.1001 15.4429 15.4438 15.8677 15.8690 16.6104 16.6131 16.6143 16.6154 k = 0.1513 0.3361 0.5958 ( 6828 PWs) bands (ev): -37.0354 -37.0354 -37.0166 -37.0166 -13.7579 -13.7578 -12.9270 -12.9270 -11.8585 -11.8585 -11.7019 -11.7019 -2.5529 -2.5528 -1.5462 -1.5454 -0.2126 -0.2086 0.0572 0.0587 1.8725 1.8758 2.3367 2.3467 3.1474 3.1533 3.9056 3.9081 4.4259 4.4267 4.4922 4.5025 4.8029 4.8123 5.0762 5.0785 15.4790 15.4799 15.8902 15.8914 16.6241 16.6241 16.6274 16.6290 k = 0.1579 0.3289 0.6055 ( 6830 PWs) bands (ev): -37.0349 -37.0349 -37.0171 -37.0171 -13.7337 -13.7337 -12.9495 -12.9494 -11.8591 -11.8591 -11.7090 -11.7090 -2.5300 -2.5299 -1.5820 -1.5812 -0.2141 -0.2101 0.0491 0.0507 1.9022 1.9059 2.3433 2.3534 3.1598 3.1657 3.8947 3.8973 4.4400 4.4405 4.5122 4.5227 4.7912 4.8011 5.0541 5.0565 15.5151 15.5160 15.9099 15.9109 16.6347 16.6352 16.6449 16.6468 k = 0.1645 0.3217 0.6153 ( 6826 PWs) bands (ev): -37.0343 -37.0343 -37.0177 -37.0177 -13.7088 -13.7087 -12.9729 -12.9729 -11.8592 -11.8591 -11.7163 -11.7163 -2.5060 -2.5060 -1.6183 -1.6175 -0.2148 -0.2109 0.0394 0.0412 1.9338 1.9378 2.3493 2.3595 3.1729 3.1786 3.8804 3.8830 4.4546 4.4550 4.5316 4.5423 4.7810 4.7913 5.0316 5.0341 15.5511 15.5521 15.9266 15.9274 16.6458 16.6464 16.6645 16.6664 k = 0.1711 0.3145 0.6251 ( 6822 PWs) bands (ev): -37.0337 -37.0337 -37.0183 -37.0183 -13.6832 -13.6831 -12.9973 -12.9972 -11.8586 -11.8586 -11.7236 -11.7236 -2.4809 -2.4809 -1.6551 -1.6544 -0.2145 -0.2107 0.0285 0.0304 1.9668 1.9712 2.3547 2.3649 3.1869 3.1923 3.8626 3.8653 4.4700 4.4701 4.5503 4.5612 4.7723 4.7829 5.0088 5.0113 15.5868 15.5878 15.9402 15.9408 16.6573 16.6579 16.6853 16.6871 k = 0.1776 0.3073 0.6348 ( 6824 PWs) bands (ev): -37.0331 -37.0331 -37.0188 -37.0188 -13.6569 -13.6569 -13.0226 -13.0225 -11.8574 -11.8574 -11.7311 -11.7311 -2.4548 -2.4547 -1.6924 -1.6917 -0.2133 -0.2095 0.0165 0.0185 2.0007 2.0056 2.3593 2.3695 3.2018 3.2070 3.8414 3.8441 4.4859 4.4860 4.5681 4.5793 4.7649 4.7758 4.9857 4.9882 15.6218 15.6228 15.9508 15.9512 16.6692 16.6698 16.7065 16.7081 k = 0.1842 0.3000 0.6446 ( 6828 PWs) bands (ev): -37.0325 -37.0325 -37.0194 -37.0194 -13.6300 -13.6300 -13.0487 -13.0486 -11.8556 -11.8556 -11.7386 -11.7386 -2.4275 -2.4274 -1.7299 -1.7293 -0.2111 -0.2074 0.0036 0.0058 2.0351 2.0404 2.3629 2.3731 3.2179 3.2229 3.8170 3.8197 4.5025 4.5027 4.5851 4.5964 4.7588 4.7699 4.9623 4.9649 15.6560 15.6570 15.9587 15.9588 16.6813 16.6819 16.7272 16.7285 k = 0.1908 0.2928 0.6544 ( 6830 PWs) bands (ev): -37.0319 -37.0319 -37.0201 -37.0201 -13.6026 -13.6025 -13.0755 -13.0754 -11.8533 -11.8533 -11.7461 -11.7461 -2.3993 -2.3992 -1.7678 -1.7672 -0.2080 -0.2044 -0.0100 -0.0077 2.0694 2.0753 2.3655 2.3756 3.2355 3.2402 3.7896 3.7923 4.5197 4.5201 4.6010 4.6125 4.7539 4.7651 4.9389 4.9415 15.6891 15.6902 15.9638 15.9638 16.6936 16.6942 16.7466 16.7477 k = 0.1974 0.2856 0.6641 ( 6830 PWs) bands (ev): -37.0312 -37.0312 -37.0207 -37.0207 -13.5746 -13.5745 -13.1030 -13.1029 -11.8504 -11.8504 -11.7536 -11.7536 -2.3700 -2.3699 -1.8057 -1.8052 -0.2038 -0.2003 -0.0241 -0.0217 2.1032 2.1096 2.3668 2.3768 3.2546 3.2591 3.7596 3.7623 4.5376 4.5381 4.6158 4.6274 4.7498 4.7611 4.9153 4.9179 15.7208 15.7219 15.9663 15.9665 16.7060 16.7066 16.7638 16.7648 k = 0.2039 0.2784 0.6739 ( 6830 PWs) bands (ev): -37.0306 -37.0306 -37.0213 -37.0213 -13.5461 -13.5461 -13.1311 -13.1310 -11.8470 -11.8469 -11.7612 -11.7611 -2.3398 -2.3396 -1.8437 -1.8433 -0.1986 -0.1951 -0.0385 -0.0360 2.1361 2.1429 2.3667 2.3766 3.2755 3.2798 3.7274 3.7300 4.5561 4.5566 4.6294 4.6412 4.7465 4.7578 4.8919 4.8944 15.7511 15.7522 15.9664 15.9669 16.7184 16.7190 16.7784 16.7791 k = 0.2105 0.2712 0.6837 ( 6838 PWs) bands (ev): -37.0299 -37.0299 -37.0220 -37.0220 -13.5172 -13.5172 -13.1597 -13.1596 -11.8430 -11.8430 -11.7686 -11.7686 -2.3086 -2.3085 -1.8818 -1.8813 -0.1923 -0.1890 -0.0530 -0.0505 2.1675 2.1749 2.3651 2.3748 3.2984 3.3023 3.6933 3.6960 4.5750 4.5755 4.6417 4.6536 4.7438 4.7549 4.8686 4.8711 15.7796 15.7808 15.9644 15.9650 16.7307 16.7313 16.7899 16.7904 k = 0.2171 0.2639 0.6934 ( 6834 PWs) bands (ev): -37.0293 -37.0293 -37.0226 -37.0226 -13.4880 -13.4879 -13.1888 -13.1887 -11.8386 -11.8386 -11.7760 -11.7760 -2.2766 -2.2764 -1.9197 -1.9192 -0.1851 -0.1819 -0.0675 -0.0649 2.1971 2.2050 2.3617 2.3712 3.3232 3.3269 3.6580 3.6606 4.5943 4.5947 4.6526 4.6645 4.7416 4.7525 4.8457 4.8481 15.8063 15.8075 15.9603 15.9611 16.7428 16.7433 16.7980 16.7983 k = 0.2237 0.2567 0.7032 ( 6838 PWs) bands (ev): -37.0286 -37.0286 -37.0233 -37.0233 -13.4584 -13.4584 -13.2182 -13.2182 -11.8338 -11.8338 -11.7833 -11.7833 -2.2437 -2.2435 -1.9574 -1.9570 -0.1769 -0.1738 -0.0819 -0.0791 2.2246 2.2331 2.3564 2.3656 3.3501 3.3535 3.6217 3.6244 4.6136 4.6138 4.6618 4.6738 4.7399 4.7504 4.8235 4.8257 15.8311 15.8323 15.9541 15.9550 16.7544 16.7549 16.8028 16.8029 k = 0.2303 0.2495 0.7130 ( 6836 PWs) bands (ev): -37.0280 -37.0280 -37.0239 -37.0239 -13.4286 -13.4285 -13.2480 -13.2479 -11.8285 -11.8285 -11.7904 -11.7904 -2.2100 -2.2098 -1.9948 -1.9945 -0.1678 -0.1648 -0.0959 -0.0930 2.2497 2.2588 2.3491 2.3579 3.3790 3.3821 3.5850 3.5877 4.6322 4.6326 4.6691 4.6809 4.7391 4.7489 4.8024 4.8044 15.8538 15.8550 15.9460 15.9470 16.7655 16.7660 16.8044 16.8044 k = 0.2368 0.2423 0.7227 ( 6842 PWs) bands (ev): -37.0273 -37.0273 -37.0246 -37.0246 -13.3986 -13.3985 -13.2780 -13.2779 -11.8229 -11.8229 -11.7974 -11.7974 -2.1757 -2.1754 -2.0320 -2.0316 -0.1577 -0.1549 -0.1095 -0.1064 2.2719 2.2819 2.3398 2.3479 3.4098 3.4126 3.5484 3.5513 4.6491 4.6504 4.6740 4.6854 4.7395 4.7483 4.7834 4.7847 15.8744 15.8756 15.9358 15.9369 16.7758 16.7763 16.8029 16.8031 k = 0.2434 0.2351 0.7325 ( 6850 PWs) bands (ev): -37.0266 -37.0266 -37.0253 -37.0253 -13.3685 -13.3684 -13.3081 -13.3080 -11.8170 -11.8169 -11.8042 -11.8041 -2.1406 -2.1404 -2.0687 -2.0684 -0.1468 -0.1445 -0.1225 -0.1190 2.2907 2.3024 2.3289 2.3354 3.4422 3.4446 3.5124 3.5156 4.6630 4.6653 4.6754 4.6863 4.7422 4.7495 4.7680 4.7684 15.8928 15.8940 15.9236 15.9248 16.7850 16.7854 16.7989 16.7992 k = 0.2500 0.2278 0.7423 ( 6848 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3383 -13.3383 -13.3383 -13.3381 -11.8108 -11.8107 -11.8107 -11.8106 -2.1060 -2.1055 -2.1038 -2.1038 -0.1364 -0.1364 -0.1337 -0.1278 2.3008 2.3191 2.3214 2.3214 3.4716 3.4716 3.4817 3.4873 4.6715 4.6726 4.6726 4.6849 4.7453 4.7520 4.7602 4.7602 15.9083 15.9083 15.9102 15.9126 16.7927 16.7927 16.7930 16.7937 k = 0.2500 0.2278 0.7423 ( 6848 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3383 -13.3383 -13.3383 -13.3381 -11.8108 -11.8107 -11.8107 -11.8106 -2.1060 -2.1055 -2.1038 -2.1038 -0.1364 -0.1364 -0.1337 -0.1278 2.3008 2.3191 2.3214 2.3214 3.4716 3.4716 3.4817 3.4873 4.6715 4.6726 4.6726 4.6849 4.7453 4.7520 4.7602 4.7602 15.9083 15.9083 15.9102 15.9126 16.7927 16.7927 16.7930 16.7937 k = 0.2576 0.2347 0.7329 ( 6852 PWs) bands (ev): -37.0264 -37.0264 -37.0255 -37.0255 -13.3582 -13.3581 -13.3184 -13.3183 -11.8149 -11.8149 -11.8063 -11.8063 -2.1296 -2.1293 -2.0809 -2.0807 -0.1415 -0.1396 -0.1261 -0.1222 2.2946 2.3072 2.3260 2.3315 3.4513 3.4536 3.5005 3.5041 4.6678 4.6706 4.6730 4.6844 4.7456 4.7524 4.7632 4.7643 15.8988 15.8998 15.9186 15.9199 16.7888 16.7892 16.7969 16.7973 k = 0.2652 0.2417 0.7236 ( 6854 PWs) bands (ev): -37.0268 -37.0268 -37.0251 -37.0251 -13.3770 -13.3769 -13.2996 -13.2996 -11.8190 -11.8190 -11.8018 -11.8018 -2.1546 -2.1544 -2.0578 -2.0575 -0.1444 -0.1420 -0.1162 -0.1128 2.2805 2.2911 2.3353 2.3427 3.4243 3.4273 3.5226 3.5259 4.6640 4.6668 4.6692 4.6799 4.7507 4.7571 4.7694 4.7707 15.8884 15.8893 15.9255 15.9266 16.7863 16.7869 16.7995 16.7999 k = 0.2727 0.2486 0.7143 ( 6844 PWs) bands (ev): -37.0272 -37.0272 -37.0247 -37.0247 -13.3947 -13.3946 -13.2820 -13.2820 -11.8229 -11.8229 -11.7973 -11.7973 -2.1797 -2.1795 -2.0354 -2.0351 -0.1440 -0.1415 -0.1050 -0.1019 2.2627 2.2724 2.3456 2.3539 3.3949 3.3982 3.5431 3.5465 4.6601 4.6630 4.6637 4.6728 4.7603 4.7654 4.7766 4.7778 15.8779 15.8787 15.9298 15.9307 16.7858 16.7864 16.8006 16.8011 k = 0.2803 0.2555 0.7049 ( 6842 PWs) bands (ev): -37.0276 -37.0276 -37.0243 -37.0243 -13.4112 -13.4111 -13.2656 -13.2656 -11.8266 -11.8266 -11.7929 -11.7928 -2.2046 -2.2044 -2.0140 -2.0137 -0.1406 -0.1380 -0.0925 -0.0896 2.2423 2.2515 2.3562 2.3650 3.3633 3.3669 3.5611 3.5647 4.6544 4.6587 4.6605 4.6663 4.7718 4.7752 4.7843 4.7859 15.8674 15.8682 15.9313 15.9322 16.7872 16.7879 16.8001 16.8007 k = 0.2879 0.2624 0.6956 ( 6840 PWs) bands (ev): -37.0279 -37.0279 -37.0240 -37.0240 -13.4266 -13.4265 -13.2504 -13.2504 -11.8301 -11.8301 -11.7885 -11.7885 -2.2289 -2.2287 -1.9935 -1.9932 -0.1343 -0.1317 -0.0790 -0.0761 2.2202 2.2289 2.3667 2.3759 3.3298 3.3336 3.5760 3.5798 4.6487 4.6534 4.6591 4.6626 4.7836 4.7847 4.7928 4.7953 15.8570 15.8576 15.9300 15.9308 16.7908 16.7914 16.7980 16.7987 k = 0.2955 0.2693 0.6862 ( 6838 PWs) bands (ev): -37.0282 -37.0282 -37.0236 -37.0236 -13.4408 -13.4407 -13.2364 -13.2364 -11.8335 -11.8334 -11.7843 -11.7842 -2.2523 -2.2521 -1.9740 -1.9737 -0.1255 -0.1230 -0.0642 -0.0615 2.1966 2.2050 2.3770 2.3864 3.2944 3.2986 3.5873 3.5914 4.6446 4.6489 4.6586 4.6609 4.7933 4.7943 4.8028 4.8061 15.8467 15.8471 15.9258 15.9266 16.7940 16.7947 16.7965 16.7972 k = 0.3030 0.2762 0.6769 ( 6837 PWs) bands (ev): -37.0285 -37.0285 -37.0233 -37.0233 -13.4538 -13.4537 -13.2237 -13.2236 -11.8366 -11.8366 -11.7803 -11.7802 -2.2744 -2.2742 -1.9556 -1.9553 -0.1144 -0.1119 -0.0485 -0.0458 2.1721 2.1802 2.3869 2.3965 3.2575 3.2619 3.5945 3.5990 4.6428 4.6461 4.6589 4.6603 4.8012 4.8033 4.8144 4.8176 15.8363 15.8365 15.9187 15.9195 16.7883 16.7892 16.8040 16.8046 k = 0.3106 0.2831 0.6675 ( 6833 PWs) bands (ev): -37.0288 -37.0288 -37.0231 -37.0231 -13.4655 -13.4655 -13.2122 -13.2121 -11.8396 -11.8395 -11.7766 -11.7765 -2.2950 -2.2948 -1.9382 -1.9379 -0.1014 -0.0989 -0.0317 -0.0291 2.1469 2.1548 2.3964 2.4061 3.2194 3.2240 3.5975 3.6024 4.6434 4.6457 4.6599 4.6605 4.8088 4.8115 4.8267 4.8294 15.8259 15.8259 15.9089 15.9096 16.7805 16.7816 16.8133 16.8138 k = 0.3182 0.2900 0.6582 ( 6831 PWs) bands (ev): -37.0291 -37.0291 -37.0228 -37.0228 -13.4760 -13.4760 -13.2019 -13.2018 -11.8423 -11.8423 -11.7732 -11.7732 -2.3137 -2.3135 -1.9220 -1.9217 -0.0866 -0.0842 -0.0140 -0.0116 2.1214 2.1291 2.4053 2.4152 3.1802 3.1850 3.5963 3.6015 4.6463 4.6477 4.6614 4.6614 4.8163 4.8195 4.8388 4.8409 15.8151 15.8153 15.8964 15.8971 16.7708 16.7720 16.8240 16.8245 k = 0.3258 0.2969 0.6489 ( 6833 PWs) bands (ev): -37.0293 -37.0293 -37.0226 -37.0226 -13.4853 -13.4852 -13.1929 -13.1928 -11.8449 -11.8449 -11.7703 -11.7702 -2.3303 -2.3301 -1.9069 -1.9066 -0.0704 -0.0680 0.0044 0.0068 2.0958 2.1033 2.4136 2.4236 3.1402 3.1452 3.5908 3.5964 4.6514 4.6518 4.6628 4.6635 4.8237 4.8274 4.8505 4.8519 15.8040 15.8045 15.8813 15.8820 16.7589 16.7603 16.8359 16.8362 k = 0.3333 0.3038 0.6395 ( 6835 PWs) bands (ev): -37.0295 -37.0295 -37.0224 -37.0224 -13.4932 -13.4932 -13.1851 -13.1850 -11.8472 -11.8472 -11.7678 -11.7678 -2.3445 -2.3443 -1.8930 -1.8927 -0.0531 -0.0507 0.0234 0.0258 2.0704 2.0778 2.4211 2.4312 3.0999 3.1050 3.5814 3.5873 4.6574 4.6579 4.6654 4.6667 4.8312 4.8353 4.8616 4.8624 15.7925 15.7932 15.8637 15.8645 16.7451 16.7466 16.8485 16.8487 k = 0.3409 0.3107 0.6302 ( 6829 PWs) bands (ev): -37.0296 -37.0296 -37.0223 -37.0223 -13.4999 -13.4999 -13.1785 -13.1785 -11.8494 -11.8494 -11.7658 -11.7658 -2.3561 -2.3559 -1.8803 -1.8800 -0.0348 -0.0326 0.0429 0.0452 2.0455 2.0528 2.4278 2.4379 3.0595 3.0648 3.5681 3.5744 4.6621 4.6633 4.6708 4.6728 4.8388 4.8433 4.8720 4.8721 15.7803 15.7812 15.8439 15.8447 16.7293 16.7311 16.8612 16.8613 k = 0.3485 0.3176 0.6208 ( 6836 PWs) bands (ev): -37.0297 -37.0297 -37.0222 -37.0222 -13.5053 -13.5053 -13.1733 -13.1732 -11.8514 -11.8514 -11.7644 -11.7644 -2.3649 -2.3647 -1.8687 -1.8684 -0.0160 -0.0138 0.0627 0.0650 2.0214 2.0285 2.4334 2.4435 3.0195 3.0248 3.5515 3.5580 4.6648 4.6666 4.6800 4.6827 4.8464 4.8513 4.8810 4.8815 15.7672 15.7684 15.8219 15.8227 16.7119 16.7138 16.8734 16.8737 k = 0.3561 0.3245 0.6115 ( 6838 PWs) bands (ev): -37.0298 -37.0298 -37.0221 -37.0221 -13.5094 -13.5093 -13.1692 -13.1692 -11.8531 -11.8531 -11.7637 -11.7636 -2.3707 -2.3705 -1.8582 -1.8580 0.0033 0.0054 0.0826 0.0849 1.9982 2.0052 2.4378 2.4477 2.9804 2.9857 3.5318 3.5386 4.6666 4.6690 4.6911 4.6947 4.8543 4.8595 4.8889 4.8901 15.7529 15.7543 15.7977 15.7986 16.6931 16.6951 16.8843 16.8849 k = 0.3636 0.3314 0.6022 ( 6840 PWs) bands (ev): -37.0299 -37.0299 -37.0220 -37.0220 -13.5121 -13.5121 -13.1664 -13.1664 -11.8547 -11.8547 -11.7635 -11.7635 -2.3734 -2.3732 -1.8490 -1.8487 0.0226 0.0247 0.1024 0.1046 1.9762 1.9831 2.4405 2.4501 2.9428 2.9478 3.5093 3.5164 4.6680 4.6708 4.7035 4.7078 4.8623 4.8678 4.8959 4.8977 15.7371 15.7388 15.7716 15.7725 16.6734 16.6755 16.8933 16.8942 k = 0.3712 0.3383 0.5928 ( 6838 PWs) bands (ev): -37.0299 -37.0299 -37.0220 -37.0220 -13.5135 -13.5135 -13.1649 -13.1648 -11.8560 -11.8560 -11.7640 -11.7640 -2.3728 -2.3726 -1.8409 -1.8407 0.0419 0.0438 0.1219 0.1240 1.9557 1.9624 2.4412 2.4504 2.9073 2.9120 3.4845 3.4918 4.6691 4.6722 4.7164 4.7215 4.8705 4.8762 4.9018 4.9042 15.7194 15.7214 15.7435 15.7446 16.6533 16.6555 16.8995 16.9006 k = 0.3788 0.3452 0.5835 ( 6840 PWs) bands (ev): -37.0299 -37.0299 -37.0220 -37.0220 -13.5136 -13.5136 -13.1646 -13.1645 -11.8572 -11.8572 -11.7652 -11.7652 -2.3689 -2.3687 -1.8339 -1.8337 0.0609 0.0627 0.1409 0.1429 1.9368 1.9435 2.4393 2.4479 2.8748 2.8790 3.4577 3.4651 4.6696 4.6731 4.7296 4.7353 4.8790 4.8848 4.9067 4.9097 15.6994 15.7017 15.7137 15.7149 16.6334 16.6356 16.9020 16.9034 k = 0.3864 0.3521 0.5741 ( 6843 PWs) bands (ev): -37.0299 -37.0299 -37.0220 -37.0220 -13.5123 -13.5123 -13.1655 -13.1655 -11.8581 -11.8581 -11.7671 -11.7670 -2.3615 -2.3613 -1.8281 -1.8279 0.0794 0.0811 0.1590 0.1610 1.9200 1.9265 2.4341 2.4419 2.8461 2.8496 3.4291 3.4366 4.6697 4.6734 4.7426 4.7489 4.8876 4.8934 4.9107 4.9144 15.6766 15.6793 15.6822 15.6838 16.6143 16.6165 16.9002 16.9018 k = 0.3939 0.3590 0.5648 ( 6849 PWs) bands (ev): -37.0299 -37.0299 -37.0221 -37.0221 -13.5097 -13.5097 -13.1677 -13.1676 -11.8589 -11.8589 -11.7696 -11.7695 -2.3507 -2.3505 -1.8234 -1.8232 0.0972 0.0988 0.1761 0.1780 1.9053 1.9117 2.4251 2.4318 2.8222 2.8247 3.3991 3.4067 4.6692 4.6731 4.7549 4.7617 4.8964 4.9020 4.9141 4.9185 15.6482 15.6486 15.6538 15.6546 16.5965 16.5987 16.8938 16.8955 k = 0.4015 0.3659 0.5554 ( 6849 PWs) bands (ev): -37.0298 -37.0298 -37.0222 -37.0222 -13.5058 -13.5058 -13.1711 -13.1711 -11.8594 -11.8594 -11.7727 -11.7727 -2.3364 -2.3363 -1.8198 -1.8197 0.1141 0.1156 0.1920 0.1938 1.8930 1.8993 2.4117 2.4171 2.8037 2.8051 3.3679 3.3755 4.6681 4.6721 4.7660 4.7730 4.9051 4.9101 4.9174 4.9228 15.6137 15.6141 15.6248 15.6265 16.5807 16.5827 16.8827 16.8844 k = 0.4091 0.3728 0.5461 ( 6846 PWs) bands (ev): -37.0297 -37.0297 -37.0223 -37.0223 -13.5005 -13.5005 -13.1758 -13.1758 -11.8598 -11.8598 -11.7765 -11.7765 -2.3187 -2.3185 -1.8173 -1.8172 0.1301 0.1314 0.2063 0.2081 1.8833 1.8895 2.3936 2.3976 2.7910 2.7911 3.3357 3.3433 4.6663 4.6703 4.7751 4.7822 4.9131 4.9170 4.9219 4.9284 15.5774 15.5780 15.5934 15.5953 16.5671 16.5690 16.8673 16.8690 k = 0.4167 0.3797 0.5368 ( 6840 PWs) bands (ev): -37.0295 -37.0295 -37.0224 -37.0224 -13.4938 -13.4938 -13.1818 -13.1818 -11.8599 -11.8599 -11.7808 -11.7808 -2.2975 -2.2973 -1.8159 -1.8158 0.1449 0.1461 0.2190 0.2207 1.8764 1.8825 2.3711 2.3736 2.7828 2.7840 3.3027 3.3103 4.6638 4.6678 4.7814 4.7882 4.9197 4.9227 4.9290 4.9361 15.5397 15.5404 15.5590 15.5609 16.5560 16.5577 16.8483 16.8499 k = 0.4242 0.3866 0.5274 ( 6838 PWs) bands (ev): -37.0293 -37.0293 -37.0226 -37.0226 -13.4858 -13.4858 -13.1891 -13.1890 -11.8599 -11.8599 -11.7857 -11.7857 -2.2729 -2.2728 -1.8155 -1.8154 0.1586 0.1596 0.2298 0.2314 1.8724 1.8784 2.3445 2.3457 2.7799 2.7822 3.2690 3.2767 4.6606 4.6645 4.7842 4.7903 4.9260 4.9283 4.9380 4.9451 15.5008 15.5015 15.5217 15.5237 16.5476 16.5491 16.8263 16.8278 k = 0.4318 0.3936 0.5181 ( 6836 PWs) bands (ev): -37.0291 -37.0291 -37.0228 -37.0228 -13.4765 -13.4765 -13.1976 -13.1976 -11.8596 -11.8596 -11.7910 -11.7910 -2.2450 -2.2449 -1.8162 -1.8161 0.1709 0.1718 0.2386 0.2401 1.8716 1.8774 2.3147 2.3148 2.7817 2.7851 3.2350 3.2425 4.6566 4.6605 4.7827 4.7878 4.9336 4.9351 4.9479 4.9549 15.4609 15.4616 15.4819 15.4838 16.5416 16.5429 16.8020 16.8032 k = 0.4394 0.4005 0.5087 ( 6834 PWs) bands (ev): -37.0289 -37.0289 -37.0231 -37.0231 -13.4658 -13.4658 -13.2075 -13.2074 -11.8592 -11.8592 -11.7968 -11.7968 -2.2139 -2.2138 -1.8179 -1.8178 0.1819 0.1826 0.2453 0.2467 1.8739 1.8796 2.2815 2.2825 2.7877 2.7920 3.2006 3.2081 4.6518 4.6556 4.7767 4.7806 4.9430 4.9434 4.9583 4.9650 15.4200 15.4208 15.4399 15.4417 16.5380 16.5390 16.7758 16.7768 k = 0.4470 0.4074 0.4994 ( 6824 PWs) bands (ev): -37.0286 -37.0286 -37.0233 -37.0233 -13.4538 -13.4538 -13.2186 -13.2186 -11.8586 -11.8586 -11.8029 -11.8029 -2.1797 -2.1796 -1.8207 -1.8206 0.1915 0.1921 0.2498 0.2510 1.8794 1.8849 2.2467 2.2485 2.7972 2.8021 3.1660 3.1734 4.6463 4.6500 4.7662 4.7690 4.9534 4.9540 4.9689 4.9753 15.3784 15.3792 15.3961 15.3978 16.5362 16.5371 16.7482 16.7490 k = 0.4545 0.4143 0.4901 ( 6822 PWs) bands (ev): -37.0283 -37.0283 -37.0236 -37.0236 -13.4405 -13.4405 -13.2310 -13.2310 -11.8577 -11.8577 -11.8093 -11.8093 -2.1426 -2.1424 -1.8245 -1.8244 0.1997 0.2002 0.2521 0.2532 1.8881 1.8934 2.2110 2.2134 2.8097 2.8152 3.1313 3.1387 4.6401 4.6436 4.7515 4.7532 4.9646 4.9660 4.9796 4.9857 15.3363 15.3370 15.3511 15.3526 16.5359 16.5365 16.7195 16.7201 k = 0.4621 0.4212 0.4807 ( 6824 PWs) bands (ev): -37.0280 -37.0280 -37.0240 -37.0240 -13.4258 -13.4258 -13.2448 -13.2448 -11.8568 -11.8568 -11.8159 -11.8159 -2.1027 -2.1025 -1.8293 -1.8293 0.2065 0.2068 0.2522 0.2531 1.8999 1.9051 2.1749 2.1779 2.8247 2.8306 3.0967 3.1040 4.6332 4.6365 4.7330 4.7338 4.9767 4.9787 4.9905 4.9962 15.2938 15.2945 15.3054 15.3067 16.5365 16.5368 16.6899 16.6902 k = 0.4697 0.4281 0.4714 ( 6824 PWs) bands (ev): -37.0277 -37.0277 -37.0243 -37.0243 -13.4099 -13.4099 -13.2599 -13.2599 -11.8556 -11.8556 -11.8226 -11.8226 -2.0601 -2.0600 -1.8351 -1.8351 0.2120 0.2122 0.2501 0.2509 1.9148 1.9198 2.1388 2.1423 2.8419 2.8481 3.0622 3.0694 4.6256 4.6287 4.7109 4.7109 4.9892 4.9917 5.0015 5.0067 15.2511 15.2517 15.2595 15.2607 16.5373 16.5374 16.6594 16.6595 k = 0.4773 0.4350 0.4620 ( 6822 PWs) bands (ev): -37.0273 -37.0273 -37.0247 -37.0247 -13.3926 -13.3926 -13.2763 -13.2763 -11.8543 -11.8543 -11.8294 -11.8294 -2.0153 -2.0152 -1.8420 -1.8420 0.2161 0.2161 0.2460 0.2467 1.9325 1.9374 2.1032 2.1070 2.8610 2.8674 3.0279 3.0350 4.6173 4.6201 4.6849 4.6855 5.0020 5.0046 5.0128 5.0172 15.2084 15.2089 15.2140 15.2149 16.5377 16.5378 16.6282 16.6283 k = 0.4848 0.4419 0.4527 ( 6826 PWs) bands (ev): -37.0269 -37.0269 -37.0251 -37.0251 -13.3741 -13.3741 -13.2939 -13.2939 -11.8528 -11.8528 -11.8361 -11.8361 -1.9682 -1.9681 -1.8499 -1.8499 0.2188 0.2189 0.2402 0.2407 1.9529 1.9577 2.0685 2.0725 2.8817 2.8883 2.9939 3.0009 4.6083 4.6109 4.6561 4.6573 5.0147 5.0169 5.0243 5.0276 15.1658 15.1662 15.1694 15.1700 16.5369 16.5372 16.5961 16.5965 k = 0.4924 0.4488 0.4433 ( 6823 PWs) bands (ev): -37.0265 -37.0265 -37.0255 -37.0255 -13.3542 -13.3542 -13.3129 -13.3129 -11.8511 -11.8511 -11.8428 -11.8428 -1.9193 -1.9192 -1.8588 -1.8588 0.2200 0.2201 0.2329 0.2332 1.9757 1.9802 2.0351 2.0393 2.9037 2.9104 2.9604 2.9672 4.5985 4.6008 4.6248 4.6264 5.0271 5.0284 5.0361 5.0378 15.1236 15.1237 15.1262 15.1264 16.5345 16.5350 16.5635 16.5640 k = 0.5000 0.4557 0.4340 ( 6822 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3332 -13.3332 -13.3331 -13.3331 -11.8493 -11.8493 -11.8492 -11.8492 -1.8696 -1.8696 -1.8680 -1.8679 0.2182 0.2182 0.2261 0.2261 1.9969 1.9970 2.0111 2.0111 2.9262 2.9262 2.9348 2.9348 4.5857 4.5857 4.5954 4.5954 5.0390 5.0390 5.0480 5.0480 15.0820 15.0820 15.0844 15.0844 16.5286 16.5286 16.5320 16.5320 k = 0.5000 0.4557 0.4340 ( 6822 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3332 -13.3332 -13.3331 -13.3331 -11.8493 -11.8493 -11.8492 -11.8492 -1.8696 -1.8696 -1.8680 -1.8679 0.2182 0.2182 0.2261 0.2261 1.9969 1.9970 2.0111 2.0111 2.9262 2.9262 2.9348 2.9348 4.5857 4.5857 4.5954 4.5954 5.0390 5.0390 5.0480 5.0480 15.0820 15.0820 15.0844 15.0844 16.5286 16.5286 16.5320 16.5320 k = 0.5000 0.4557 0.4200 ( 6818 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3326 -13.3326 -13.3324 -13.3324 -11.8527 -11.8527 -11.8526 -11.8526 -1.8391 -1.8391 -1.8374 -1.8374 0.2107 0.2107 0.2188 0.2188 1.9936 1.9936 2.0078 2.0078 2.9199 2.9199 2.9284 2.9284 4.5507 4.5507 4.5604 4.5604 5.0549 5.0549 5.0639 5.0639 15.0210 15.0210 15.0233 15.0233 16.4982 16.4982 16.5015 16.5015 k = 0.5000 0.4557 0.4060 ( 6822 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3319 -13.3319 -13.3318 -13.3318 -11.8561 -11.8561 -11.8560 -11.8560 -1.8088 -1.8088 -1.8070 -1.8070 0.2038 0.2038 0.2120 0.2120 1.9913 1.9913 2.0056 2.0056 2.9145 2.9145 2.9229 2.9229 4.5140 4.5140 4.5236 4.5236 5.0699 5.0699 5.0788 5.0788 14.9614 14.9614 14.9635 14.9635 16.4662 16.4662 16.4696 16.4696 k = 0.5000 0.4557 0.3920 ( 6822 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3312 -13.3312 -13.3311 -13.3311 -11.8595 -11.8595 -11.8594 -11.8594 -1.7789 -1.7789 -1.7770 -1.7770 0.1976 0.1976 0.2059 0.2059 1.9904 1.9904 2.0046 2.0046 2.9100 2.9100 2.9184 2.9184 4.4755 4.4755 4.4850 4.4850 5.0838 5.0838 5.0927 5.0927 14.9034 14.9034 14.9054 14.9054 16.4326 16.4326 16.4360 16.4360 k = 0.5000 0.4557 0.3780 ( 6818 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3306 -13.3306 -13.3304 -13.3304 -11.8629 -11.8629 -11.8628 -11.8628 -1.7496 -1.7496 -1.7476 -1.7476 0.1922 0.1922 0.2006 0.2006 1.9908 1.9908 2.0051 2.0051 2.9065 2.9065 2.9147 2.9147 4.4353 4.4353 4.4447 4.4447 5.0968 5.0968 5.1055 5.1055 14.8474 14.8475 14.8493 14.8493 16.3975 16.3975 16.4010 16.4010 k = 0.5000 0.4557 0.3640 ( 6810 PWs) bands (ev): -37.0260 -37.0260 -37.0260 -37.0260 -13.3299 -13.3299 -13.3297 -13.3297 -11.8663 -11.8663 -11.8662 -11.8662 -1.7210 -1.7210 -1.7190 -1.7189 0.1877 0.1877 0.1962 0.1962 1.9927 1.9927 2.0070 2.0070 2.9038 2.9038 2.9120 2.9120 4.3934 4.3934 4.4027 4.4027 5.1086 5.1086 5.1173 5.1173 14.7937 14.7937 14.7955 14.7955 16.3610 16.3610 16.3645 16.3645 k = 0.5000 0.4557 0.3500 ( 6830 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3292 -13.3292 -13.3291 -13.3291 -11.8697 -11.8697 -11.8696 -11.8696 -1.6933 -1.6933 -1.6912 -1.6912 0.1842 0.1842 0.1928 0.1928 1.9963 1.9963 2.0106 2.0106 2.9020 2.9020 2.9100 2.9100 4.3497 4.3497 4.3589 4.3589 5.1195 5.1195 5.1280 5.1280 14.7425 14.7425 14.7442 14.7442 16.3231 16.3231 16.3266 16.3266 k = 0.5000 0.4557 0.3360 ( 6820 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3285 -13.3285 -13.3284 -13.3284 -11.8730 -11.8730 -11.8729 -11.8729 -1.6668 -1.6668 -1.6646 -1.6646 0.1818 0.1818 0.1905 0.1905 2.0015 2.0015 2.0158 2.0158 2.9010 2.9010 2.9089 2.9089 4.3043 4.3043 4.3134 4.3134 5.1292 5.1292 5.1376 5.1376 14.6940 14.6940 14.6956 14.6956 16.2839 16.2839 16.2874 16.2874 k = 0.5000 0.4557 0.3220 ( 6808 PWs) bands (ev): -37.0261 -37.0261 -37.0260 -37.0260 -13.3278 -13.3278 -13.3277 -13.3277 -11.8763 -11.8763 -11.8761 -11.8761 -1.6415 -1.6415 -1.6392 -1.6392 0.1806 0.1806 0.1893 0.1893 2.0086 2.0086 2.0229 2.0229 2.9008 2.9008 2.9085 2.9085 4.2572 4.2572 4.2662 4.2662 5.1380 5.1380 5.1462 5.1462 14.6484 14.6484 14.6499 14.6499 16.2435 16.2435 16.2470 16.2470 k = 0.5000 0.4557 0.3080 ( 6812 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3272 -13.3272 -13.3271 -13.3270 -11.8795 -11.8795 -11.8794 -11.8793 -1.6175 -1.6175 -1.6153 -1.6152 0.1807 0.1807 0.1894 0.1894 2.0177 2.0177 2.0320 2.0320 2.9013 2.9013 2.9088 2.9088 4.2085 4.2085 4.2174 4.2174 5.1458 5.1458 5.1538 5.1538 14.6057 14.6057 14.6072 14.6072 16.2020 16.2020 16.2056 16.2056 k = 0.5000 0.4557 0.2940 ( 6810 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3265 -13.3265 -13.3264 -13.3264 -11.8826 -11.8826 -11.8825 -11.8825 -1.5951 -1.5951 -1.5928 -1.5928 0.1820 0.1820 0.1907 0.1907 2.0287 2.0288 2.0430 2.0430 2.9025 2.9025 2.9098 2.9098 4.1582 4.1582 4.1670 4.1670 5.1526 5.1526 5.1604 5.1604 14.5661 14.5661 14.5676 14.5676 16.1596 16.1597 16.1632 16.1632 k = 0.5000 0.4557 0.2800 ( 6800 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3259 -13.3259 -13.3257 -13.3257 -11.8857 -11.8857 -11.8855 -11.8855 -1.5742 -1.5742 -1.5719 -1.5719 0.1846 0.1846 0.1932 0.1932 2.0420 2.0420 2.0562 2.0562 2.9043 2.9043 2.9114 2.9114 4.1063 4.1063 4.1150 4.1150 5.1584 5.1584 5.1661 5.1661 14.5297 14.5297 14.5312 14.5312 16.1165 16.1165 16.1201 16.1201 k = 0.5000 0.4557 0.2660 ( 6804 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3252 -13.3252 -13.3251 -13.3251 -11.8886 -11.8886 -11.8885 -11.8885 -1.5550 -1.5550 -1.5527 -1.5527 0.1884 0.1884 0.1969 0.1969 2.0574 2.0574 2.0716 2.0716 2.9066 2.9066 2.9135 2.9135 4.0529 4.0529 4.0615 4.0615 5.1634 5.1634 5.1709 5.1709 14.4965 14.4965 14.4980 14.4980 16.0728 16.0728 16.0763 16.0763 k = 0.5000 0.4557 0.2520 ( 6796 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3246 -13.3246 -13.3245 -13.3245 -11.8915 -11.8915 -11.8914 -11.8914 -1.5375 -1.5374 -1.5351 -1.5351 0.1933 0.1933 0.2017 0.2017 2.0752 2.0752 2.0893 2.0894 2.9094 2.9094 2.9160 2.9160 3.9981 3.9981 4.0067 4.0067 5.1676 5.1676 5.1748 5.1748 14.4664 14.4665 14.4680 14.4680 16.0286 16.0286 16.0321 16.0321 k = 0.5000 0.4557 0.2380 ( 6796 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3240 -13.3240 -13.3239 -13.3239 -11.8942 -11.8942 -11.8941 -11.8941 -1.5216 -1.5216 -1.5193 -1.5193 0.1993 0.1993 0.2075 0.2075 2.0954 2.0954 2.1095 2.1095 2.9126 2.9126 2.9190 2.9190 3.9420 3.9420 3.9504 3.9504 5.1711 5.1711 5.1780 5.1780 14.4396 14.4396 14.4411 14.4411 15.9842 15.9842 15.9877 15.9877 k = 0.5000 0.4557 0.2240 ( 6804 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3234 -13.3234 -13.3233 -13.3233 -11.8969 -11.8969 -11.8968 -11.8968 -1.5074 -1.5074 -1.5051 -1.5051 0.2063 0.2063 0.2142 0.2142 2.1180 2.1180 2.1320 2.1320 2.9161 2.9161 2.9222 2.9222 3.8846 3.8846 3.8930 3.8930 5.1738 5.1738 5.1804 5.1804 14.4159 14.4159 14.4174 14.4175 15.9398 15.9398 15.9432 15.9432 k = 0.5000 0.4557 0.2100 ( 6800 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3229 -13.3229 -13.3228 -13.3228 -11.8994 -11.8994 -11.8993 -11.8993 -1.4948 -1.4947 -1.4926 -1.4926 0.2140 0.2140 0.2217 0.2217 2.1432 2.1432 2.1570 2.1570 2.9199 2.9199 2.9257 2.9257 3.8261 3.8261 3.8344 3.8344 5.1760 5.1760 5.1823 5.1823 14.3953 14.3953 14.3968 14.3968 15.8956 15.8956 15.8990 15.8990 k = 0.5000 0.4557 0.1960 ( 6796 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3223 -13.3223 -13.3222 -13.3222 -11.9018 -11.9018 -11.9017 -11.9017 -1.4837 -1.4837 -1.4816 -1.4816 0.2224 0.2224 0.2298 0.2298 2.1708 2.1708 2.1846 2.1846 2.9238 2.9239 2.9294 2.9294 3.7666 3.7666 3.7747 3.7748 5.1775 5.1775 5.1835 5.1835 14.3776 14.3776 14.3792 14.3792 15.8519 15.8519 15.8552 15.8552 k = 0.5000 0.4557 0.1820 ( 6796 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3218 -13.3218 -13.3217 -13.3217 -11.9040 -11.9040 -11.9039 -11.9039 -1.4741 -1.4740 -1.4720 -1.4720 0.2312 0.2312 0.2382 0.2382 2.2010 2.2010 2.2147 2.2147 2.9279 2.9279 2.9332 2.9332 3.7063 3.7063 3.7143 3.7143 5.1786 5.1786 5.1843 5.1843 14.3628 14.3628 14.3643 14.3643 15.8089 15.8089 15.8121 15.8121 k = 0.5000 0.4557 0.1680 ( 6800 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3213 -13.3213 -13.3213 -13.3212 -11.9061 -11.9061 -11.9060 -11.9060 -1.4658 -1.4658 -1.4639 -1.4639 0.2402 0.2402 0.2469 0.2469 2.2337 2.2338 2.2473 2.2473 2.9319 2.9319 2.9370 2.9370 3.6452 3.6452 3.6531 3.6531 5.1793 5.1793 5.1846 5.1846 14.3507 14.3507 14.3522 14.3522 15.7670 15.7670 15.7701 15.7701 k = 0.5000 0.4557 0.1540 ( 6800 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3209 -13.3209 -13.3208 -13.3208 -11.9081 -11.9081 -11.9080 -11.9080 -1.4587 -1.4587 -1.4570 -1.4569 0.2493 0.2493 0.2556 0.2556 2.2689 2.2689 2.2823 2.2823 2.9358 2.9358 2.9407 2.9407 3.5837 3.5837 3.5914 3.5914 5.1796 5.1796 5.1845 5.1845 14.3410 14.3410 14.3425 14.3425 15.7265 15.7265 15.7294 15.7294 k = 0.5000 0.4557 0.1400 ( 6792 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3205 -13.3205 -13.3204 -13.3204 -11.9099 -11.9099 -11.9098 -11.9098 -1.4528 -1.4528 -1.4512 -1.4511 0.2584 0.2584 0.2642 0.2642 2.3065 2.3065 2.3197 2.3197 2.9396 2.9396 2.9442 2.9442 3.5219 3.5219 3.5294 3.5294 5.1797 5.1797 5.1842 5.1842 14.3336 14.3336 14.3350 14.3350 15.6877 15.6877 15.6904 15.6904 k = 0.5000 0.4557 0.1260 ( 6792 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3201 -13.3201 -13.3200 -13.3200 -11.9115 -11.9115 -11.9115 -11.9115 -1.4479 -1.4478 -1.4464 -1.4463 0.2671 0.2671 0.2724 0.2724 2.3463 2.3463 2.3594 2.3594 2.9430 2.9430 2.9475 2.9475 3.4601 3.4601 3.4673 3.4674 5.1795 5.1795 5.1836 5.1836 14.3282 14.3282 14.3296 14.3296 15.6509 15.6509 15.6535 15.6535 k = 0.5000 0.4557 0.1120 ( 6788 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3197 -13.3197 -13.3197 -13.3197 -11.9130 -11.9130 -11.9129 -11.9129 -1.4438 -1.4438 -1.4424 -1.4424 0.2754 0.2754 0.2802 0.2802 2.3882 2.3882 2.4010 2.4010 2.9460 2.9460 2.9505 2.9505 3.3986 3.3986 3.4056 3.4056 5.1792 5.1792 5.1829 5.1829 14.3246 14.3246 14.3259 14.3259 15.6166 15.6166 15.6190 15.6190 k = 0.5000 0.4557 0.0980 ( 6790 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3194 -13.3194 -13.3194 -13.3194 -11.9143 -11.9143 -11.9143 -11.9143 -1.4405 -1.4405 -1.4393 -1.4393 0.2831 0.2831 0.2874 0.2874 2.4318 2.4318 2.4444 2.4444 2.9484 2.9485 2.9531 2.9531 3.3379 3.3379 3.3445 3.3445 5.1789 5.1789 5.1821 5.1821 14.3224 14.3224 14.3236 14.3236 15.5851 15.5851 15.5872 15.5872 k = 0.5000 0.4557 0.0840 ( 6788 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3191 -13.3191 -13.3191 -13.3191 -11.9155 -11.9155 -11.9154 -11.9154 -1.4379 -1.4379 -1.4368 -1.4368 0.2901 0.2901 0.2938 0.2938 2.4768 2.4768 2.4891 2.4891 2.9501 2.9501 2.9549 2.9549 3.2787 3.2787 3.2848 3.2848 5.1784 5.1784 5.1813 5.1813 14.3214 14.3214 14.3225 14.3225 15.5568 15.5568 15.5587 15.5587 k = 0.5000 0.4557 0.0700 ( 6788 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3189 -13.3189 -13.3189 -13.3189 -11.9164 -11.9164 -11.9164 -11.9164 -1.4358 -1.4358 -1.4349 -1.4349 0.2962 0.2962 0.2993 0.2993 2.5225 2.5225 2.5345 2.5345 2.9506 2.9506 2.9559 2.9559 3.2219 3.2219 3.2272 3.2272 5.1780 5.1780 5.1804 5.1804 14.3212 14.3212 14.3222 14.3222 15.5321 15.5321 15.5337 15.5337 k = 0.5000 0.4557 0.0560 ( 6792 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3187 -13.3187 -13.3187 -13.3187 -11.9172 -11.9172 -11.9172 -11.9172 -1.4342 -1.4342 -1.4335 -1.4335 0.3015 0.3015 0.3040 0.3040 2.5682 2.5682 2.5795 2.5795 2.9494 2.9494 2.9555 2.9555 3.1690 3.1690 3.1733 3.1733 5.1777 5.1777 5.1796 5.1796 14.3216 14.3216 14.3224 14.3224 15.5113 15.5113 15.5127 15.5127 k = 0.5000 0.4557 0.0420 ( 6800 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3186 -13.3186 -13.3185 -13.3185 -11.9179 -11.9179 -11.9178 -11.9178 -1.4330 -1.4330 -1.4325 -1.4325 0.3057 0.3057 0.3075 0.3075 2.6120 2.6120 2.6224 2.6224 2.9461 2.9461 2.9528 2.9528 3.1224 3.1224 3.1253 3.1253 5.1775 5.1775 5.1789 5.1789 14.3223 14.3223 14.3229 14.3229 15.4948 15.4948 15.4958 15.4958 k = 0.5000 0.4557 0.0280 ( 6808 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3185 -13.3185 -13.3184 -13.3184 -11.9183 -11.9183 -11.9183 -11.9183 -1.4322 -1.4322 -1.4318 -1.4318 0.3088 0.3088 0.3101 0.3101 2.6514 2.6514 2.6599 2.6599 2.9401 2.9401 2.9469 2.9469 3.0856 3.0856 3.0871 3.0871 5.1773 5.1773 5.1783 5.1783 14.3229 14.3229 14.3234 14.3234 15.4829 15.4829 15.4836 15.4836 k = 0.5000 0.4557 0.0140 ( 6824 PWs) bands (ev): -37.0261 -37.0261 -37.0261 -37.0261 -13.3184 -13.3184 -13.3184 -13.3184 -11.9186 -11.9186 -11.9186 -11.9186 -1.4317 -1.4316 -1.4315 -1.4315 0.3108 0.3108 0.3115 0.3115 2.6814 2.6814 2.6865 2.6865 2.9336 2.9336 2.9384 2.9384 3.0623 3.0623 3.0630 3.0630 5.1773 5.1773 5.1778 5.1778 14.3235 14.3235 14.3237 14.3237 15.4757 15.4757 15.4760 15.4760 k = 0.5000 0.4557 0.0000 ( 6828 PWs) bands (ev): -37.0262 -37.0262 -37.0262 -37.0262 -13.3184 -13.3184 -13.3184 -13.3184 -11.9187 -11.9187 -11.9187 -11.9187 -1.4314 -1.4314 -1.4314 -1.4314 0.3117 0.3117 0.3117 0.3117 2.6947 2.6947 2.6947 2.6947 2.9321 2.9321 2.9321 2.9321 3.0548 3.0548 3.0548 3.0548 5.1775 5.1775 5.1775 5.1775 14.3237 14.3237 14.3237 14.3237 15.4734 15.4734 15.4734 15.4734 k = 0.0000 0.0000 0.7423 ( 6818 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3413 -13.3413 -13.3412 -13.3412 -11.8041 -11.8041 -11.8040 -11.8040 -2.2890 -2.2890 -2.2886 -2.2886 0.3398 0.3398 0.3456 0.3456 2.1224 2.1224 2.1352 2.1352 3.1428 3.1428 3.1459 3.1459 4.6921 4.6921 4.7000 4.7000 4.9485 4.9485 4.9604 4.9604 15.8807 15.8807 15.8844 15.8844 16.9381 16.9381 16.9405 16.9405 k = 0.0100 0.0091 0.7423 ( 6818 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3413 -13.3413 -13.3412 -13.3412 -11.8041 -11.8041 -11.8040 -11.8040 -2.2884 -2.2883 -2.2880 -2.2879 0.3376 0.3378 0.3431 0.3439 2.1226 2.1244 2.1362 2.1363 3.1437 3.1441 3.1463 3.1477 4.6919 4.6920 4.6998 4.7000 4.9479 4.9479 4.9596 4.9599 15.8807 15.8808 15.8844 15.8846 16.9375 16.9377 16.9400 16.9400 k = 0.0200 0.0182 0.7423 ( 6826 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3412 -13.3412 -13.3411 -13.3411 -11.8042 -11.8042 -11.8041 -11.8041 -2.2865 -2.2863 -2.2861 -2.2860 0.3314 0.3319 0.3367 0.3381 2.1249 2.1285 2.1393 2.1396 3.1468 3.1475 3.1489 3.1516 4.6916 4.6918 4.6994 4.6998 4.9459 4.9461 4.9575 4.9582 15.8807 15.8810 15.8845 15.8848 16.9360 16.9363 16.9385 16.9385 k = 0.0300 0.0273 0.7423 ( 6830 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3412 -13.3412 -13.3411 -13.3411 -11.8043 -11.8043 -11.8043 -11.8042 -2.2834 -2.2831 -2.2830 -2.2828 0.3213 0.3220 0.3263 0.3283 2.1293 2.1346 2.1443 2.1448 3.1521 3.1531 3.1536 3.1577 4.6911 4.6914 4.6988 4.6995 4.9427 4.9430 4.9542 4.9552 15.8809 15.8813 15.8846 15.8851 16.9336 16.9339 16.9360 16.9361 k = 0.0400 0.0365 0.7423 ( 6850 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3411 -13.3411 -13.3410 -13.3410 -11.8045 -11.8045 -11.8044 -11.8044 -2.2791 -2.2787 -2.2787 -2.2784 0.3076 0.3084 0.3121 0.3149 2.1355 2.1425 2.1512 2.1519 3.1595 3.1605 3.1609 3.1659 4.6905 4.6909 4.6980 4.6989 4.9384 4.9387 4.9496 4.9510 15.8813 15.8818 15.8849 15.8855 16.9302 16.9307 16.9326 16.9327 k = 0.0500 0.0456 0.7423 ( 6846 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3410 -13.3410 -13.3409 -13.3409 -11.8047 -11.8047 -11.8047 -11.8046 -2.2736 -2.2732 -2.2731 -2.2728 0.2904 0.2914 0.2946 0.2980 2.1434 2.1520 2.1597 2.1605 3.1690 3.1695 3.1707 3.1761 4.6897 4.6902 4.6971 4.6982 4.9328 4.9332 4.9438 4.9456 15.8817 15.8824 15.8853 15.8860 16.9259 16.9265 16.9283 16.9284 k = 0.0600 0.0547 0.7423 ( 6832 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3409 -13.3409 -13.3408 -13.3408 -11.8050 -11.8049 -11.8049 -11.8049 -2.2670 -2.2666 -2.2664 -2.2661 0.2702 0.2713 0.2741 0.2780 2.1527 2.1628 2.1694 2.1704 3.1804 3.1804 3.1825 3.1882 4.6887 4.6894 4.6960 4.6974 4.9261 4.9265 4.9369 4.9390 15.8823 15.8831 15.8857 15.8867 16.9207 16.9215 16.9231 16.9232 k = 0.0700 0.0638 0.7423 ( 6830 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3407 -13.3407 -13.3407 -13.3406 -11.8053 -11.8052 -11.8052 -11.8052 -2.2594 -2.2589 -2.2587 -2.2584 0.2473 0.2486 0.2509 0.2553 2.1630 2.1745 2.1802 2.1813 3.1933 3.1937 3.1962 3.2022 4.6876 4.6885 4.6947 4.6964 4.9183 4.9189 4.9289 4.9314 15.8830 15.8839 15.8864 15.8875 16.9148 16.9157 16.9171 16.9173 k = 0.0800 0.0729 0.7423 ( 6838 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3406 -13.3406 -13.3405 -13.3405 -11.8056 -11.8056 -11.8056 -11.8055 -2.2509 -2.2504 -2.2500 -2.2497 0.2222 0.2237 0.2255 0.2304 2.1742 2.1869 2.1916 2.1929 3.2079 3.2088 3.2116 3.2179 4.6864 4.6875 4.6934 4.6953 4.9095 4.9102 4.9198 4.9227 15.8839 15.8849 15.8871 15.8884 16.9081 16.9091 16.9104 16.9105 k = 0.0900 0.0820 0.7423 ( 6832 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3404 -13.3404 -13.3404 -13.3403 -11.8060 -11.8059 -11.8059 -11.8059 -2.2415 -2.2410 -2.2405 -2.2403 0.1953 0.1970 0.1983 0.2036 2.1858 2.1997 2.2035 2.2049 3.2241 3.2254 3.2286 3.2352 4.6851 4.6865 4.6919 4.6940 4.8998 4.9006 4.9097 4.9132 15.8850 15.8861 15.8881 15.8895 16.9008 16.9019 16.9030 16.9031 k = 0.1000 0.0911 0.7423 ( 6828 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3402 -13.3402 -13.3402 -13.3401 -11.8064 -11.8063 -11.8063 -11.8063 -2.2314 -2.2309 -2.2303 -2.2300 0.1671 0.1689 0.1698 0.1755 2.1976 2.2125 2.2156 2.2171 3.2418 3.2434 3.2471 3.2537 4.6837 4.6854 4.6903 4.6927 4.8893 4.8902 4.8988 4.9028 15.8862 15.8874 15.8891 15.8907 16.8929 16.8941 16.8950 16.8952 k = 0.1100 0.1003 0.7423 ( 6838 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3401 -13.3401 -13.3400 -13.3399 -11.8068 -11.8067 -11.8067 -11.8067 -2.2207 -2.2202 -2.2195 -2.2193 0.1380 0.1399 0.1404 0.1465 2.2093 2.2252 2.2275 2.2292 3.2607 3.2626 3.2667 3.2734 4.6823 4.6844 4.6887 4.6913 4.8780 4.8791 4.8872 4.8917 15.8875 15.8889 15.8904 15.8922 16.8846 16.8858 16.8865 16.8867 k = 0.1200 0.1094 0.7423 ( 6834 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3399 -13.3399 -13.3398 -13.3397 -11.8072 -11.8071 -11.8071 -11.8071 -2.2095 -2.2090 -2.2082 -2.2080 0.1084 0.1106 0.1106 0.1170 2.2209 2.2376 2.2392 2.2409 3.2805 3.2826 3.2872 3.2940 4.6808 4.6834 4.6870 4.6899 4.8663 4.8675 4.8749 4.8801 15.8891 15.8906 15.8917 15.8937 16.8758 16.8771 16.8776 16.8778 k = 0.1300 0.1185 0.7423 ( 6828 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3397 -13.3397 -13.3396 -13.3396 -11.8076 -11.8076 -11.8076 -11.8075 -2.1981 -2.1976 -2.1967 -2.1965 0.0789 0.0809 0.0812 0.0876 2.2320 2.2494 2.2504 2.2522 3.3010 3.3033 3.3083 3.3151 4.6793 4.6824 4.6854 4.6884 4.8541 4.8556 4.8621 4.8680 15.8907 15.8924 15.8932 15.8954 16.8668 16.8681 16.8685 16.8687 k = 0.1400 0.1276 0.7423 ( 6824 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3395 -13.3395 -13.3395 -13.3394 -11.8080 -11.8080 -11.8080 -11.8079 -2.1866 -2.1861 -2.1851 -2.1849 0.0498 0.0516 0.0522 0.0586 2.2425 2.2605 2.2609 2.2629 3.3218 3.3242 3.3297 3.3364 4.6779 4.6816 4.6837 4.6870 4.8417 4.8434 4.8490 4.8557 15.8925 15.8943 15.8948 15.8972 16.8576 16.8590 16.8592 16.8594 k = 0.1500 0.1367 0.7423 ( 6832 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3393 -13.3393 -13.3393 -13.3392 -11.8084 -11.8084 -11.8084 -11.8084 -2.1752 -2.1746 -2.1736 -2.1734 0.0216 0.0232 0.0241 0.0304 2.2523 2.2708 2.2708 2.2728 3.3426 3.3450 3.3510 3.3577 4.6765 4.6810 4.6820 4.6855 4.8293 4.8312 4.8358 4.8433 15.8944 15.8962 15.8965 15.8991 16.8485 16.8499 16.8499 16.8501 k = 0.1600 0.1458 0.7423 ( 6836 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3391 -13.3391 -13.3391 -13.3390 -11.8088 -11.8088 -11.8088 -11.8087 -2.1640 -2.1635 -2.1623 -2.1622 -0.0053 -0.0039 -0.0027 0.0035 2.2614 2.2798 2.2803 2.2820 3.3631 3.3655 3.3719 3.3785 4.6752 4.6804 4.6805 4.6841 4.8171 4.8192 4.8225 4.8310 15.8964 15.8983 15.8983 15.9011 16.8395 16.8408 16.8410 16.8410 k = 0.1700 0.1549 0.7423 ( 6842 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3390 -13.3390 -13.3389 -13.3388 -11.8092 -11.8091 -11.8091 -11.8091 -2.1533 -2.1527 -2.1515 -2.1514 -0.0306 -0.0294 -0.0279 -0.0218 2.2695 2.2880 2.2888 2.2902 3.3828 3.3851 3.3920 3.3985 4.6740 4.6788 4.6803 4.6827 4.8053 4.8077 4.8096 4.8190 15.8983 15.9001 15.9003 15.9030 16.8309 16.8320 16.8322 16.8323 k = 0.1800 0.1640 0.7423 ( 6830 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3388 -13.3388 -13.3388 -13.3387 -11.8095 -11.8095 -11.8095 -11.8094 -2.1432 -2.1427 -2.1413 -2.1412 -0.0539 -0.0528 -0.0511 -0.0450 2.2768 2.2952 2.2964 2.2975 3.4014 3.4036 3.4110 3.4173 4.6729 4.6773 4.6803 4.6813 4.7941 4.7969 4.7970 4.8076 15.9002 15.9018 15.9023 15.9049 16.8228 16.8238 16.8239 16.8242 k = 0.1900 0.1732 0.7423 ( 6838 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3387 -13.3387 -13.3387 -13.3385 -11.8098 -11.8098 -11.8098 -11.8097 -2.1340 -2.1335 -2.1321 -2.1320 -0.0748 -0.0739 -0.0720 -0.0660 2.2832 2.3015 2.3030 2.3039 3.4184 3.4205 3.4284 3.4345 4.6721 4.6760 4.6799 4.6806 4.7838 4.7852 4.7870 4.7969 15.9021 15.9034 15.9041 15.9067 16.8153 16.8162 16.8163 16.8167 k = 0.2000 0.1823 0.7423 ( 6840 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3386 -13.3386 -13.3385 -13.3384 -11.8101 -11.8101 -11.8100 -11.8100 -2.1259 -2.1254 -2.1239 -2.1238 -0.0930 -0.0923 -0.0902 -0.0842 2.2886 2.3069 2.3086 2.3092 3.4337 3.4355 3.4438 3.4498 4.6715 4.6747 4.6786 4.6812 4.7744 4.7746 4.7783 4.7872 15.9037 15.9049 15.9058 15.9084 16.8087 16.8094 16.8096 16.8101 k = 0.2100 0.1914 0.7423 ( 6844 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3385 -13.3385 -13.3384 -13.3383 -11.8103 -11.8103 -11.8102 -11.8102 -2.1190 -2.1184 -2.1169 -2.1168 -0.1084 -0.1078 -0.1055 -0.0996 2.2930 2.3113 2.3131 2.3136 3.4467 3.4482 3.4570 3.4629 4.6711 4.6737 4.6773 4.6820 4.7648 4.7667 4.7711 4.7787 15.9052 15.9061 15.9073 15.9098 16.8031 16.8037 16.8038 16.8044 k = 0.2200 0.2005 0.7423 ( 6844 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3384 -13.3384 -13.3384 -13.3382 -11.8105 -11.8105 -11.8104 -11.8104 -2.1134 -2.1129 -2.1113 -2.1112 -0.1205 -0.1201 -0.1177 -0.1118 2.2964 2.3147 2.3167 2.3171 3.4573 3.4584 3.4676 3.4734 4.6710 4.6728 4.6760 4.6830 4.7567 4.7604 4.7656 4.7716 15.9065 15.9071 15.9085 15.9110 16.7986 16.7990 16.7992 16.7998 k = 0.2300 0.2096 0.7423 ( 6844 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3383 -13.3383 -13.3383 -13.3382 -11.8107 -11.8106 -11.8106 -11.8105 -2.1093 -2.1088 -2.1071 -2.1071 -0.1294 -0.1291 -0.1265 -0.1206 2.2989 2.3171 2.3193 2.3195 3.4650 3.4658 3.4754 3.4810 4.6713 4.6721 4.6747 4.6839 4.7505 4.7558 4.7619 4.7661 15.9074 15.9079 15.9094 15.9119 16.7953 16.7956 16.7958 16.7965 k = 0.2400 0.2187 0.7423 ( 6848 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3383 -13.3383 -13.3383 -13.3381 -11.8107 -11.8107 -11.8106 -11.8106 -2.1069 -2.1063 -2.1046 -2.1046 -0.1347 -0.1345 -0.1319 -0.1260 2.3004 2.3186 2.3208 2.3209 3.4699 3.4703 3.4801 3.4857 4.6717 4.6718 4.6736 4.6846 4.7466 4.7529 4.7600 4.7622 15.9080 15.9083 15.9100 15.9124 16.7933 16.7935 16.7937 16.7944 k = 0.2500 0.2278 0.7423 ( 6848 PWs) bands (ev): -37.0259 -37.0259 -37.0259 -37.0259 -13.3383 -13.3383 -13.3383 -13.3381 -11.8108 -11.8107 -11.8107 -11.8106 -2.1060 -2.1055 -2.1038 -2.1038 -0.1364 -0.1364 -0.1337 -0.1278 2.3008 2.3191 2.3214 2.3214 3.4716 3.4716 3.4817 3.4873 4.6715 4.6726 4.6726 4.6849 4.7453 4.7520 4.7602 4.7602 15.9083 15.9083 15.9102 15.9126 16.7927 16.7927 16.7930 16.7937 Writing output data file LiBO2.save init_run : 1.07s CPU 9.99s WALL ( 1 calls) electrons : 929.86s CPU 940.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.21s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 929.83s CPU 940.16s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.88s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.08s CPU 0.61s WALL ( 1 calls) newd : 0.08s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.19s WALL ( 388 calls) cegterg : 844.06s CPU 850.61s WALL ( 805 calls) Called by sum_band: Called by *egterg: h_psi : 548.12s CPU 556.77s WALL ( 14398 calls) s_psi : 20.22s CPU 20.97s WALL ( 14398 calls) g_psi : 1.16s CPU 1.17s WALL ( 13205 calls) cdiaghg : 195.79s CPU 193.40s WALL ( 13593 calls) cegterg:over : 64.01s CPU 59.62s WALL ( 13205 calls) cegterg:upda : 16.87s CPU 21.21s WALL ( 13205 calls) cegterg:last : 14.07s CPU 15.10s WALL ( 2445 calls) Called by h_psi: h_psi:vloc : 490.87s CPU 498.08s WALL ( 14398 calls) h_psi:vnl : 56.83s CPU 57.68s WALL ( 14398 calls) add_vuspsi : 13.84s CPU 18.60s WALL ( 14398 calls) General routines calbec : 42.94s CPU 38.96s WALL ( 14398 calls) fft : 0.39s CPU 1.02s WALL ( 15 calls) fftw : 471.73s CPU 477.05s WALL ( 1303768 calls) davcio : 0.03s CPU 2.73s WALL ( 776 calls) Parallel routines fft_scatter : 278.29s CPU 279.03s WALL ( 1303783 calls) PWSCF : 16m44.75s CPU 20m42.49s WALL This run was terminated on: 20:29:43 12Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=