Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:41:20 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./LiSbS2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 103 103 28 4540 4540 662 Max 104 104 29 4544 4544 665 Sum 3729 3729 1033 163489 163489 23885 bravais-lattice index = 14 lattice parameter (alat) = 10.6532 a.u. unit-cell volume = 1157.7081 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.653218 celldm(2)= 1.000000 celldm(3)= 1.188252 celldm(4)= 0.421165 celldm(5)= 0.421165 celldm(6)= 0.012066 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.012066 0.999927 0.000000 ) a(3) = ( 0.500450 0.494447 0.957609 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.012067 -0.516373 ) b(2) = ( 0.000000 1.000073 -0.516373 ) b(3) = ( 0.000000 0.000000 1.044268 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/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 Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Li 3.00 6.94100 Li( 1.00) Sb 5.00 121.76000 Sb( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0117699 0.0116288 -0.0060043), wk = 0.0030488 k( 3) = ( 0.0235399 0.0232575 -0.0120087), wk = 0.0030488 k( 4) = ( 0.0353098 0.0348863 -0.0180130), wk = 0.0030488 k( 5) = ( 0.0470797 0.0465150 -0.0240173), wk = 0.0030488 k( 6) = ( 0.0588496 0.0581438 -0.0300217), wk = 0.0030488 k( 7) = ( 0.0706196 0.0697725 -0.0360260), wk = 0.0030488 k( 8) = ( 0.0823895 0.0814013 -0.0420303), wk = 0.0030488 k( 9) = ( 0.0941594 0.0930300 -0.0480347), wk = 0.0030488 k( 10) = ( 0.1059293 0.1046588 -0.0540390), wk = 0.0030488 k( 11) = ( 0.1176993 0.1162875 -0.0600433), wk = 0.0030488 k( 12) = ( 0.1294692 0.1279163 -0.0660477), wk = 0.0030488 k( 13) = ( 0.1412391 0.1395450 -0.0720520), wk = 0.0030488 k( 14) = ( 0.1530090 0.1511738 -0.0780563), wk = 0.0030488 k( 15) = ( 0.1647790 0.1628025 -0.0840606), wk = 0.0030488 k( 16) = ( 0.1765489 0.1744313 -0.0900650), wk = 0.0030488 k( 17) = ( 0.1883188 0.1860601 -0.0960693), wk = 0.0030488 k( 18) = ( 0.2000887 0.1976888 -0.1020737), wk = 0.0030488 k( 19) = ( 0.2118587 0.2093176 -0.1080780), wk = 0.0030488 k( 20) = ( 0.2236286 0.2209463 -0.1140823), wk = 0.0030488 k( 21) = ( 0.2353985 0.2325751 -0.1200866), wk = 0.0030488 k( 22) = ( 0.2471684 0.2442038 -0.1260910), wk = 0.0030488 k( 23) = ( 0.2589383 0.2558326 -0.1320953), wk = 0.0030488 k( 24) = ( 0.2707083 0.2674613 -0.1380997), wk = 0.0030488 k( 25) = ( 0.2824782 0.2790901 -0.1441040), wk = 0.0030488 k( 26) = ( 0.2942481 0.2907188 -0.1501083), wk = 0.0030488 k( 27) = ( 0.3060180 0.3023476 -0.1561126), wk = 0.0030488 k( 28) = ( 0.3177880 0.3139763 -0.1621170), wk = 0.0030488 k( 29) = ( 0.3295579 0.3256051 -0.1681213), wk = 0.0030488 k( 30) = ( 0.3413278 0.3372339 -0.1741256), wk = 0.0030488 k( 31) = ( 0.3530977 0.3488626 -0.1801300), wk = 0.0030488 k( 32) = ( 0.3648677 0.3604914 -0.1861343), wk = 0.0030488 k( 33) = ( 0.3766376 0.3721201 -0.1921386), wk = 0.0030488 k( 34) = ( 0.3884075 0.3837489 -0.1981430), wk = 0.0030488 k( 35) = ( 0.4001774 0.3953776 -0.2041473), wk = 0.0030488 k( 36) = ( 0.4119474 0.4070064 -0.2101516), wk = 0.0030488 k( 37) = ( 0.4237173 0.4186351 -0.2161560), wk = 0.0030488 k( 38) = ( 0.4354872 0.4302639 -0.2221603), wk = 0.0030488 k( 39) = ( 0.4472572 0.4418926 -0.2281646), wk = 0.0030488 k( 40) = ( 0.4590271 0.4535214 -0.2341690), wk = 0.0030488 k( 41) = ( 0.4707970 0.4651501 -0.2401733), wk = 0.0030488 k( 42) = ( 0.4825669 0.4767789 -0.2461776), wk = 0.0030488 k( 43) = ( 0.4943369 0.4884077 -0.2521820), wk = 0.0030488 k( 44) = ( 0.5061068 0.5000364 -0.2581863), wk = 0.0030488 k( 45) = ( 0.5061068 0.5000364 -0.2581863), wk = 0.0030488 k( 46) = ( 0.5133668 0.5072093 -0.2442943), wk = 0.0030488 k( 47) = ( 0.5206268 0.5143822 -0.2304024), wk = 0.0030488 k( 48) = ( 0.5278867 0.5215551 -0.2165104), wk = 0.0030488 k( 49) = ( 0.5351467 0.5287280 -0.2026184), wk = 0.0030488 k( 50) = ( 0.5424067 0.5359010 -0.1887264), wk = 0.0030488 k( 51) = ( 0.5496667 0.5430739 -0.1748345), wk = 0.0030488 k( 52) = ( 0.5569267 0.5502468 -0.1609425), wk = 0.0030488 k( 53) = ( 0.5641867 0.5574197 -0.1470505), wk = 0.0030488 k( 54) = ( 0.5714467 0.5645926 -0.1331586), wk = 0.0030488 k( 55) = ( 0.5787067 0.5717655 -0.1192666), wk = 0.0030488 k( 56) = ( 0.5859667 0.5789384 -0.1053746), wk = 0.0030488 k( 57) = ( 0.5932266 0.5861113 -0.0914826), wk = 0.0030488 k( 58) = ( 0.6004866 0.5932842 -0.0775907), wk = 0.0030488 k( 59) = ( 0.6077466 0.6004572 -0.0636987), wk = 0.0030488 k( 60) = ( 0.6150066 0.6076301 -0.0498067), wk = 0.0030488 k( 61) = ( 0.6222666 0.6148030 -0.0359148), wk = 0.0030488 k( 62) = ( 0.6295266 0.6219759 -0.0220228), wk = 0.0030488 k( 63) = ( 0.6367866 0.6291488 -0.0081308), wk = 0.0030488 k( 64) = ( 0.6440466 0.6363217 0.0057612), wk = 0.0030488 k( 65) = ( 0.6440466 0.6363217 0.0057612), wk = 0.0030488 k( 66) = ( 0.6363833 0.6287503 0.0201048), wk = 0.0030488 k( 67) = ( 0.6287199 0.6211789 0.0344485), wk = 0.0030488 k( 68) = ( 0.6210566 0.6136075 0.0487922), wk = 0.0030488 k( 69) = ( 0.6133933 0.6060361 0.0631359), wk = 0.0030488 k( 70) = ( 0.6057300 0.5984647 0.0774796), wk = 0.0030488 k( 71) = ( 0.5980667 0.5908933 0.0918233), wk = 0.0030488 k( 72) = ( 0.5904033 0.5833219 0.1061670), wk = 0.0030488 k( 73) = ( 0.5827400 0.5757505 0.1205106), wk = 0.0030488 k( 74) = ( 0.5750767 0.5681791 0.1348543), wk = 0.0030488 k( 75) = ( 0.5674134 0.5606077 0.1491980), wk = 0.0030488 k( 76) = ( 0.5597500 0.5530362 0.1635417), wk = 0.0030488 k( 77) = ( 0.5520867 0.5454648 0.1778854), wk = 0.0030488 k( 78) = ( 0.5444234 0.5378934 0.1922290), wk = 0.0030488 k( 79) = ( 0.5367601 0.5303220 0.2065727), wk = 0.0030488 k( 80) = ( 0.5290968 0.5227506 0.2209164), wk = 0.0030488 k( 81) = ( 0.5214334 0.5151792 0.2352601), wk = 0.0030488 k( 82) = ( 0.5137701 0.5076078 0.2496038), wk = 0.0030488 k( 83) = ( 0.5061068 0.5000364 0.2639475), wk = 0.0030488 k( 84) = ( 0.4984435 0.4924650 0.2782911), wk = 0.0030488 k( 85) = ( 0.4907801 0.4848936 0.2926348), wk = 0.0030488 k( 86) = ( 0.4831168 0.4773222 0.3069785), wk = 0.0030488 k( 87) = ( 0.4754535 0.4697508 0.3213222), wk = 0.0030488 k( 88) = ( 0.4677902 0.4621794 0.3356659), wk = 0.0030488 k( 89) = ( 0.4601268 0.4546080 0.3500096), wk = 0.0030488 k( 90) = ( 0.4524635 0.4470366 0.3643532), wk = 0.0030488 k( 91) = ( 0.4448002 0.4394651 0.3786969), wk = 0.0030488 k( 92) = ( 0.4371369 0.4318937 0.3930406), wk = 0.0030488 k( 93) = ( 0.4294736 0.4243223 0.4073843), wk = 0.0030488 k( 94) = ( 0.4218102 0.4167509 0.4217280), wk = 0.0030488 k( 95) = ( 0.4141469 0.4091795 0.4360717), wk = 0.0030488 k( 96) = ( 0.4064836 0.4016081 0.4504153), wk = 0.0030488 k( 97) = ( 0.3988203 0.3940367 0.4647590), wk = 0.0030488 k( 98) = ( 0.3911570 0.3864653 0.4791027), wk = 0.0030488 k( 99) = ( 0.3834936 0.3788939 0.4934464), wk = 0.0030488 k( 100) = ( 0.3758303 0.3713225 0.5077901), wk = 0.0030488 k( 101) = ( 0.3681670 0.3637511 0.5221338), wk = 0.0030488 k( 102) = ( 0.3681670 0.3637511 0.5221338), wk = 0.0030488 k( 103) = ( 0.3554716 0.3512079 0.5221338), wk = 0.0030488 k( 104) = ( 0.3427762 0.3386648 0.5221337), wk = 0.0030488 k( 105) = ( 0.3300807 0.3261217 0.5221338), wk = 0.0030488 k( 106) = ( 0.3173853 0.3135785 0.5221338), wk = 0.0030488 k( 107) = ( 0.3046899 0.3010354 0.5221337), wk = 0.0030488 k( 108) = ( 0.2919945 0.2884922 0.5221338), wk = 0.0030488 k( 109) = ( 0.2792991 0.2759491 0.5221338), wk = 0.0030488 k( 110) = ( 0.2666037 0.2634060 0.5221338), wk = 0.0030488 k( 111) = ( 0.2539083 0.2508628 0.5221338), wk = 0.0030488 k( 112) = ( 0.2412129 0.2383197 0.5221338), wk = 0.0030488 k( 113) = ( 0.2285174 0.2257765 0.5221338), wk = 0.0030488 k( 114) = ( 0.2158220 0.2132334 0.5221338), wk = 0.0030488 k( 115) = ( 0.2031266 0.2006903 0.5221338), wk = 0.0030488 k( 116) = ( 0.1904312 0.1881471 0.5221338), wk = 0.0030488 k( 117) = ( 0.1777358 0.1756040 0.5221338), wk = 0.0030488 k( 118) = ( 0.1650404 0.1630608 0.5221338), wk = 0.0030488 k( 119) = ( 0.1523450 0.1505177 0.5221338), wk = 0.0030488 k( 120) = ( 0.1396496 0.1379746 0.5221338), wk = 0.0030488 k( 121) = ( 0.1269541 0.1254314 0.5221338), wk = 0.0030488 k( 122) = ( 0.1142587 0.1128883 0.5221338), wk = 0.0030488 k( 123) = ( 0.1015633 0.1003451 0.5221338), wk = 0.0030488 k( 124) = ( 0.0888679 0.0878020 0.5221338), wk = 0.0030488 k( 125) = ( 0.0761725 0.0752588 0.5221338), wk = 0.0030488 k( 126) = ( 0.0634771 0.0627157 0.5221338), wk = 0.0030488 k( 127) = ( 0.0507816 0.0501726 0.5221338), wk = 0.0030488 k( 128) = ( 0.0380862 0.0376294 0.5221338), wk = 0.0030488 k( 129) = ( 0.0253908 0.0250863 0.5221338), wk = 0.0030488 k( 130) = ( 0.0126954 0.0125431 0.5221338), wk = 0.0030488 k( 131) = ( 0.0000000 0.0000000 0.5221338), wk = 0.0030488 k( 132) = ( 0.0000000 0.0000000 0.5221338), wk = 0.0030488 k( 133) = ( 0.0125000 -0.0126517 0.5221338), wk = 0.0030488 k( 134) = ( 0.0250000 -0.0253035 0.5221338), wk = 0.0030488 k( 135) = ( 0.0375000 -0.0379552 0.5221338), wk = 0.0030488 k( 136) = ( 0.0500000 -0.0506070 0.5221338), wk = 0.0030488 k( 137) = ( 0.0625000 -0.0632587 0.5221338), wk = 0.0030488 k( 138) = ( 0.0750000 -0.0759105 0.5221338), wk = 0.0030488 k( 139) = ( 0.0875000 -0.0885622 0.5221338), wk = 0.0030488 k( 140) = ( 0.1000000 -0.1012140 0.5221338), wk = 0.0030488 k( 141) = ( 0.1125000 -0.1138657 0.5221338), wk = 0.0030488 k( 142) = ( 0.1250000 -0.1265175 0.5221338), wk = 0.0030488 k( 143) = ( 0.1375000 -0.1391692 0.5221338), wk = 0.0030488 k( 144) = ( 0.1500000 -0.1518210 0.5221338), wk = 0.0030488 k( 145) = ( 0.1625000 -0.1644727 0.5221338), wk = 0.0030488 k( 146) = ( 0.1750000 -0.1771245 0.5221338), wk = 0.0030488 k( 147) = ( 0.1875000 -0.1897762 0.5221338), wk = 0.0030488 k( 148) = ( 0.2000000 -0.2024280 0.5221338), wk = 0.0030488 k( 149) = ( 0.2125000 -0.2150797 0.5221338), wk = 0.0030488 k( 150) = ( 0.2250000 -0.2277315 0.5221338), wk = 0.0030488 k( 151) = ( 0.2375000 -0.2403832 0.5221338), wk = 0.0030488 k( 152) = ( 0.2500000 -0.2530350 0.5221338), wk = 0.0030488 k( 153) = ( 0.2625000 -0.2656867 0.5221338), wk = 0.0030488 k( 154) = ( 0.2750000 -0.2783385 0.5221338), wk = 0.0030488 k( 155) = ( 0.2875000 -0.2909902 0.5221338), wk = 0.0030488 k( 156) = ( 0.3000000 -0.3036420 0.5221338), wk = 0.0030488 k( 157) = ( 0.3125000 -0.3162937 0.5221338), wk = 0.0030488 k( 158) = ( 0.3250000 -0.3289455 0.5221338), wk = 0.0030488 k( 159) = ( 0.3375000 -0.3415972 0.5221338), wk = 0.0030488 k( 160) = ( 0.3500000 -0.3542490 0.5221338), wk = 0.0030488 k( 161) = ( 0.3625000 -0.3669007 0.5221338), wk = 0.0030488 k( 162) = ( 0.3750000 -0.3795525 0.5221338), wk = 0.0030488 k( 163) = ( 0.3875000 -0.3922042 0.5221338), wk = 0.0030488 k( 164) = ( 0.4000000 -0.4048559 0.5221338), wk = 0.0030488 k( 165) = ( 0.4125000 -0.4175077 0.5221338), wk = 0.0030488 k( 166) = ( 0.4250000 -0.4301594 0.5221338), wk = 0.0030488 k( 167) = ( 0.4375000 -0.4428112 0.5221338), wk = 0.0030488 k( 168) = ( 0.4500000 -0.4554629 0.5221338), wk = 0.0030488 k( 169) = ( 0.4625000 -0.4681147 0.5221338), wk = 0.0030488 k( 170) = ( 0.4750000 -0.4807664 0.5221338), wk = 0.0030488 k( 171) = ( 0.4875000 -0.4934182 0.5221338), wk = 0.0030488 k( 172) = ( 0.5000000 -0.5060699 0.5221338), wk = 0.0030488 k( 173) = ( 0.5000000 -0.5060699 0.5221338), wk = 0.0030488 k( 174) = ( 0.4879961 -0.5179298 0.5221338), wk = 0.0030488 k( 175) = ( 0.4759922 -0.5297897 0.5221338), wk = 0.0030488 k( 176) = ( 0.4639884 -0.5416496 0.5221337), wk = 0.0030488 k( 177) = ( 0.4519845 -0.5535096 0.5221338), wk = 0.0030488 k( 178) = ( 0.4399806 -0.5653695 0.5221338), wk = 0.0030488 k( 179) = ( 0.4279767 -0.5772294 0.5221338), wk = 0.0030488 k( 180) = ( 0.4159728 -0.5890893 0.5221338), wk = 0.0030488 k( 181) = ( 0.4039689 -0.6009492 0.5221337), wk = 0.0030488 k( 182) = ( 0.3919651 -0.6128091 0.5221337), wk = 0.0030488 k( 183) = ( 0.3799612 -0.6246690 0.5221338), wk = 0.0030488 k( 184) = ( 0.3679573 -0.6365289 0.5221338), wk = 0.0030488 k( 185) = ( 0.3559534 -0.6483888 0.5221338), wk = 0.0030488 k( 186) = ( 0.6318330 -0.3758182 0.0057612), wk = 0.0030488 k( 187) = ( 0.6245730 -0.3829911 -0.0081308), wk = 0.0030488 k( 188) = ( 0.6173130 -0.3901640 -0.0220228), wk = 0.0030488 k( 189) = ( 0.6100530 -0.3973369 -0.0359147), wk = 0.0030488 k( 190) = ( 0.6027931 -0.4045098 -0.0498067), wk = 0.0030488 k( 191) = ( 0.5955331 -0.4116827 -0.0636987), wk = 0.0030488 k( 192) = ( 0.5882731 -0.4188556 -0.0775907), wk = 0.0030488 k( 193) = ( 0.5810131 -0.4260285 -0.0914826), wk = 0.0030488 k( 194) = ( 0.5737531 -0.4332015 -0.1053746), wk = 0.0030488 k( 195) = ( 0.5664931 -0.4403744 -0.1192666), wk = 0.0030488 k( 196) = ( 0.5592331 -0.4475473 -0.1331585), wk = 0.0030488 k( 197) = ( 0.5519731 -0.4547202 -0.1470505), wk = 0.0030488 k( 198) = ( 0.5447131 -0.4618931 -0.1609425), wk = 0.0030488 k( 199) = ( 0.5374532 -0.4690660 -0.1748345), wk = 0.0030488 k( 200) = ( 0.5301932 -0.4762389 -0.1887264), wk = 0.0030488 k( 201) = ( 0.5229332 -0.4834118 -0.2026184), wk = 0.0030488 k( 202) = ( 0.5156732 -0.4905847 -0.2165104), wk = 0.0030488 k( 203) = ( 0.5084132 -0.4977576 -0.2304024), wk = 0.0030488 k( 204) = ( 0.5011532 -0.5049306 -0.2442943), wk = 0.0030488 k( 205) = ( 0.4938932 -0.5121035 -0.2581863), wk = 0.0030488 k( 206) = ( 0.4938932 -0.5121035 -0.2581863), wk = 0.0030488 k( 207) = ( 0.4943003 -0.5117012 -0.2409739), wk = 0.0030488 k( 208) = ( 0.4947075 -0.5112990 -0.2237615), wk = 0.0030488 k( 209) = ( 0.4951146 -0.5108968 -0.2065490), wk = 0.0030488 k( 210) = ( 0.4955217 -0.5104945 -0.1893366), wk = 0.0030488 k( 211) = ( 0.4959288 -0.5100923 -0.1721242), wk = 0.0030488 k( 212) = ( 0.4963359 -0.5096901 -0.1549118), wk = 0.0030488 k( 213) = ( 0.4967431 -0.5092878 -0.1376994), wk = 0.0030488 k( 214) = ( 0.4971502 -0.5088856 -0.1204869), wk = 0.0030488 k( 215) = ( 0.4975573 -0.5084833 -0.1032745), wk = 0.0030488 k( 216) = ( 0.4979644 -0.5080811 -0.0860621), wk = 0.0030488 k( 217) = ( 0.4983715 -0.5076789 -0.0688497), wk = 0.0030488 k( 218) = ( 0.4987786 -0.5072766 -0.0516373), wk = 0.0030488 k( 219) = ( 0.4991858 -0.5068744 -0.0344248), wk = 0.0030488 k( 220) = ( 0.4995929 -0.5064722 -0.0172124), wk = 0.0030488 k( 221) = ( 0.5000000 -0.5060699 0.0000000), wk = 0.0030488 k( 222) = ( 0.5000000 -0.5060699 0.0000000), wk = 0.0030488 k( 223) = ( 0.4875000 -0.4934182 -0.0000000), wk = 0.0030488 k( 224) = ( 0.4750000 -0.4807664 -0.0000000), wk = 0.0030488 k( 225) = ( 0.4625000 -0.4681147 0.0000000), wk = 0.0030488 k( 226) = ( 0.4500000 -0.4554629 -0.0000000), wk = 0.0030488 k( 227) = ( 0.4375000 -0.4428112 0.0000000), wk = 0.0030488 k( 228) = ( 0.4250000 -0.4301594 0.0000000), wk = 0.0030488 k( 229) = ( 0.4125000 -0.4175077 -0.0000000), wk = 0.0030488 k( 230) = ( 0.4000000 -0.4048559 0.0000000), wk = 0.0030488 k( 231) = ( 0.3875000 -0.3922042 -0.0000000), wk = 0.0030488 k( 232) = ( 0.3750000 -0.3795525 0.0000000), wk = 0.0030488 k( 233) = ( 0.3625000 -0.3669007 0.0000000), wk = 0.0030488 k( 234) = ( 0.3500000 -0.3542490 -0.0000000), wk = 0.0030488 k( 235) = ( 0.3375000 -0.3415972 0.0000000), wk = 0.0030488 k( 236) = ( 0.3250000 -0.3289455 -0.0000000), wk = 0.0030488 k( 237) = ( 0.3125000 -0.3162937 0.0000000), wk = 0.0030488 k( 238) = ( 0.3000000 -0.3036420 0.0000000), wk = 0.0030488 k( 239) = ( 0.2875000 -0.2909902 -0.0000000), wk = 0.0030488 k( 240) = ( 0.2750000 -0.2783385 0.0000000), wk = 0.0030488 k( 241) = ( 0.2625000 -0.2656867 -0.0000000), wk = 0.0030488 k( 242) = ( 0.2500000 -0.2530350 0.0000000), wk = 0.0030488 k( 243) = ( 0.2375000 -0.2403832 -0.0000000), wk = 0.0030488 k( 244) = ( 0.2250000 -0.2277315 -0.0000000), wk = 0.0030488 k( 245) = ( 0.2125000 -0.2150797 0.0000000), wk = 0.0030488 k( 246) = ( 0.2000000 -0.2024280 0.0000000), wk = 0.0030488 k( 247) = ( 0.1875000 -0.1897762 0.0000000), wk = 0.0030488 k( 248) = ( 0.1750000 -0.1771245 -0.0000000), wk = 0.0030488 k( 249) = ( 0.1625000 -0.1644727 -0.0000000), wk = 0.0030488 k( 250) = ( 0.1500000 -0.1518210 0.0000000), wk = 0.0030488 k( 251) = ( 0.1375000 -0.1391692 0.0000000), wk = 0.0030488 k( 252) = ( 0.1250000 -0.1265175 0.0000000), wk = 0.0030488 k( 253) = ( 0.1125000 -0.1138657 -0.0000000), wk = 0.0030488 k( 254) = ( 0.1000000 -0.1012140 0.0000000), wk = 0.0030488 k( 255) = ( 0.0875000 -0.0885622 -0.0000000), wk = 0.0030488 k( 256) = ( 0.0750000 -0.0759105 0.0000000), wk = 0.0030488 k( 257) = ( 0.0625000 -0.0632587 0.0000000), wk = 0.0030488 k( 258) = ( 0.0500000 -0.0506070 0.0000000), wk = 0.0030488 k( 259) = ( 0.0375000 -0.0379552 0.0000000), wk = 0.0030488 k( 260) = ( 0.0250000 -0.0253035 0.0000000), wk = 0.0030488 k( 261) = ( 0.0125000 -0.0126517 0.0000000), wk = 0.0030488 k( 262) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 263) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 264) = ( 0.0156250 -0.0001885 -0.0080683), wk = 0.0030488 k( 265) = ( 0.0312500 -0.0003771 -0.0161366), wk = 0.0030488 k( 266) = ( 0.0468750 -0.0005656 -0.0242050), wk = 0.0030488 k( 267) = ( 0.0625000 -0.0007542 -0.0322733), wk = 0.0030488 k( 268) = ( 0.0781250 -0.0009427 -0.0403416), wk = 0.0030488 k( 269) = ( 0.0937500 -0.0011313 -0.0484099), wk = 0.0030488 k( 270) = ( 0.1093750 -0.0013198 -0.0564783), wk = 0.0030488 k( 271) = ( 0.1250000 -0.0015084 -0.0645466), wk = 0.0030488 k( 272) = ( 0.1406250 -0.0016969 -0.0726149), wk = 0.0030488 k( 273) = ( 0.1562500 -0.0018855 -0.0806832), wk = 0.0030488 k( 274) = ( 0.1718750 -0.0020740 -0.0887515), wk = 0.0030488 k( 275) = ( 0.1875000 -0.0022626 -0.0968199), wk = 0.0030488 k( 276) = ( 0.2031250 -0.0024511 -0.1048882), wk = 0.0030488 k( 277) = ( 0.2187500 -0.0026397 -0.1129565), wk = 0.0030488 k( 278) = ( 0.2343750 -0.0028282 -0.1210248), wk = 0.0030488 k( 279) = ( 0.2500000 -0.0030168 -0.1290931), wk = 0.0030488 k( 280) = ( 0.2656250 -0.0032053 -0.1371615), wk = 0.0030488 k( 281) = ( 0.2812500 -0.0033939 -0.1452298), wk = 0.0030488 k( 282) = ( 0.2968750 -0.0035824 -0.1532981), wk = 0.0030488 k( 283) = ( 0.3125000 -0.0037710 -0.1613664), wk = 0.0030488 k( 284) = ( 0.3281250 -0.0039595 -0.1694348), wk = 0.0030488 k( 285) = ( 0.3437500 -0.0041481 -0.1775031), wk = 0.0030488 k( 286) = ( 0.3593750 -0.0043366 -0.1855714), wk = 0.0030488 k( 287) = ( 0.3750000 -0.0045252 -0.1936397), wk = 0.0030488 k( 288) = ( 0.3906250 -0.0047137 -0.2017080), wk = 0.0030488 k( 289) = ( 0.4062500 -0.0049022 -0.2097764), wk = 0.0030488 k( 290) = ( 0.4218750 -0.0050908 -0.2178447), wk = 0.0030488 k( 291) = ( 0.4375000 -0.0052793 -0.2259130), wk = 0.0030488 k( 292) = ( 0.4531250 -0.0054679 -0.2339813), wk = 0.0030488 k( 293) = ( 0.4687500 -0.0056564 -0.2420497), wk = 0.0030488 k( 294) = ( 0.4843750 -0.0058450 -0.2501180), wk = 0.0030488 k( 295) = ( 0.5000000 -0.0060335 -0.2581863), wk = 0.0030488 k( 296) = ( 0.5000000 -0.0060335 0.2639475), wk = 0.0030488 k( 297) = ( 0.4843750 -0.0058450 0.2556991), wk = 0.0030488 k( 298) = ( 0.4687500 -0.0056564 0.2474507), wk = 0.0030488 k( 299) = ( 0.4531250 -0.0054679 0.2392024), wk = 0.0030488 k( 300) = ( 0.4375000 -0.0052793 0.2309540), wk = 0.0030488 k( 301) = ( 0.4218750 -0.0050908 0.2227057), wk = 0.0030488 k( 302) = ( 0.4062500 -0.0049022 0.2144573), wk = 0.0030488 k( 303) = ( 0.3906250 -0.0047137 0.2062090), wk = 0.0030488 k( 304) = ( 0.3750000 -0.0045252 0.1979606), wk = 0.0030488 k( 305) = ( 0.3593750 -0.0043366 0.1897122), wk = 0.0030488 k( 306) = ( 0.3437500 -0.0041481 0.1814639), wk = 0.0030488 k( 307) = ( 0.3281250 -0.0039595 0.1732155), wk = 0.0030488 k( 308) = ( 0.3125000 -0.0037710 0.1649672), wk = 0.0030488 k( 309) = ( 0.2968750 -0.0035824 0.1567188), wk = 0.0030488 k( 310) = ( 0.2812500 -0.0033939 0.1484704), wk = 0.0030488 k( 311) = ( 0.2656250 -0.0032053 0.1402221), wk = 0.0030488 k( 312) = ( 0.2500000 -0.0030168 0.1319737), wk = 0.0030488 k( 313) = ( 0.2343750 -0.0028282 0.1237254), wk = 0.0030488 k( 314) = ( 0.2187500 -0.0026397 0.1154770), wk = 0.0030488 k( 315) = ( 0.2031250 -0.0024511 0.1072287), wk = 0.0030488 k( 316) = ( 0.1875000 -0.0022626 0.0989803), wk = 0.0030488 k( 317) = ( 0.1718750 -0.0020740 0.0907319), wk = 0.0030488 k( 318) = ( 0.1562500 -0.0018855 0.0824836), wk = 0.0030488 k( 319) = ( 0.1406250 -0.0016969 0.0742352), wk = 0.0030488 k( 320) = ( 0.1250000 -0.0015084 0.0659869), wk = 0.0030488 k( 321) = ( 0.1093750 -0.0013198 0.0577385), wk = 0.0030488 k( 322) = ( 0.0937500 -0.0011313 0.0494901), wk = 0.0030488 k( 323) = ( 0.0781250 -0.0009427 0.0412418), wk = 0.0030488 k( 324) = ( 0.0625000 -0.0007542 0.0329934), wk = 0.0030488 k( 325) = ( 0.0468750 -0.0005656 0.0247451), wk = 0.0030488 k( 326) = ( 0.0312500 -0.0003771 0.0164967), wk = 0.0030488 k( 327) = ( 0.0156250 -0.0001885 0.0082484), wk = 0.0030488 k( 328) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0117699 0.0117699 0.0058902), wk = 0.0030488 k( 3) = ( 0.0235399 0.0235399 0.0117805), wk = 0.0030488 k( 4) = ( 0.0353098 0.0353098 0.0176708), wk = 0.0030488 k( 5) = ( 0.0470797 0.0470797 0.0235610), wk = 0.0030488 k( 6) = ( 0.0588496 0.0588496 0.0294513), wk = 0.0030488 k( 7) = ( 0.0706196 0.0706196 0.0353415), wk = 0.0030488 k( 8) = ( 0.0823895 0.0823895 0.0412318), wk = 0.0030488 k( 9) = ( 0.0941594 0.0941594 0.0471220), wk = 0.0030488 k( 10) = ( 0.1059293 0.1059293 0.0530123), wk = 0.0030488 k( 11) = ( 0.1176993 0.1176993 0.0589025), wk = 0.0030488 k( 12) = ( 0.1294692 0.1294692 0.0647928), wk = 0.0030488 k( 13) = ( 0.1412391 0.1412391 0.0706830), wk = 0.0030488 k( 14) = ( 0.1530090 0.1530090 0.0765733), wk = 0.0030488 k( 15) = ( 0.1647790 0.1647790 0.0824636), wk = 0.0030488 k( 16) = ( 0.1765489 0.1765489 0.0883538), wk = 0.0030488 k( 17) = ( 0.1883188 0.1883188 0.0942441), wk = 0.0030488 k( 18) = ( 0.2000887 0.2000887 0.1001343), wk = 0.0030488 k( 19) = ( 0.2118587 0.2118587 0.1060246), wk = 0.0030488 k( 20) = ( 0.2236286 0.2236286 0.1119148), wk = 0.0030488 k( 21) = ( 0.2353985 0.2353985 0.1178051), wk = 0.0030488 k( 22) = ( 0.2471684 0.2471684 0.1236953), wk = 0.0030488 k( 23) = ( 0.2589383 0.2589384 0.1295856), wk = 0.0030488 k( 24) = ( 0.2707083 0.2707083 0.1354758), wk = 0.0030488 k( 25) = ( 0.2824782 0.2824782 0.1413661), wk = 0.0030488 k( 26) = ( 0.2942481 0.2942481 0.1472564), wk = 0.0030488 k( 27) = ( 0.3060180 0.3060181 0.1531466), wk = 0.0030488 k( 28) = ( 0.3177880 0.3177880 0.1590369), wk = 0.0030488 k( 29) = ( 0.3295579 0.3295579 0.1649271), wk = 0.0030488 k( 30) = ( 0.3413278 0.3413278 0.1708174), wk = 0.0030488 k( 31) = ( 0.3530977 0.3530978 0.1767076), wk = 0.0030488 k( 32) = ( 0.3648677 0.3648677 0.1825979), wk = 0.0030488 k( 33) = ( 0.3766376 0.3766376 0.1884881), wk = 0.0030488 k( 34) = ( 0.3884075 0.3884075 0.1943784), wk = 0.0030488 k( 35) = ( 0.4001774 0.4001775 0.2002686), wk = 0.0030488 k( 36) = ( 0.4119474 0.4119474 0.2061589), wk = 0.0030488 k( 37) = ( 0.4237173 0.4237173 0.2120491), wk = 0.0030488 k( 38) = ( 0.4354872 0.4354872 0.2179394), wk = 0.0030488 k( 39) = ( 0.4472572 0.4472572 0.2238297), wk = 0.0030488 k( 40) = ( 0.4590271 0.4590271 0.2297199), wk = 0.0030488 k( 41) = ( 0.4707970 0.4707970 0.2356102), wk = 0.0030488 k( 42) = ( 0.4825669 0.4825669 0.2415004), wk = 0.0030488 k( 43) = ( 0.4943369 0.4943369 0.2473907), wk = 0.0030488 k( 44) = ( 0.5061068 0.5061068 0.2532809), wk = 0.0030488 k( 45) = ( 0.5061068 0.5061068 0.2532809), wk = 0.0030488 k( 46) = ( 0.5133668 0.5133668 0.2737639), wk = 0.0030488 k( 47) = ( 0.5206268 0.5206268 0.2942469), wk = 0.0030488 k( 48) = ( 0.5278867 0.5278867 0.3147298), wk = 0.0030488 k( 49) = ( 0.5351467 0.5351467 0.3352128), wk = 0.0030488 k( 50) = ( 0.5424067 0.5424067 0.3556957), wk = 0.0030488 k( 51) = ( 0.5496667 0.5496667 0.3761787), wk = 0.0030488 k( 52) = ( 0.5569267 0.5569267 0.3966617), wk = 0.0030488 k( 53) = ( 0.5641867 0.5641867 0.4171446), wk = 0.0030488 k( 54) = ( 0.5714467 0.5714467 0.4376276), wk = 0.0030488 k( 55) = ( 0.5787067 0.5787067 0.4581105), wk = 0.0030488 k( 56) = ( 0.5859667 0.5859667 0.4785935), wk = 0.0030488 k( 57) = ( 0.5932266 0.5932267 0.4990765), wk = 0.0030488 k( 58) = ( 0.6004866 0.6004866 0.5195594), wk = 0.0030488 k( 59) = ( 0.6077466 0.6077466 0.5400424), wk = 0.0030488 k( 60) = ( 0.6150066 0.6150066 0.5605253), wk = 0.0030488 k( 61) = ( 0.6222666 0.6222666 0.5810083), wk = 0.0030488 k( 62) = ( 0.6295266 0.6295266 0.6014913), wk = 0.0030488 k( 63) = ( 0.6367866 0.6367866 0.6219742), wk = 0.0030488 k( 64) = ( 0.6440466 0.6440466 0.6424572), wk = 0.0030488 k( 65) = ( 0.6440466 0.6440466 0.6424572), wk = 0.0030488 k( 66) = ( 0.6363833 0.6363833 0.6486141), wk = 0.0030488 k( 67) = ( 0.6287199 0.6287199 0.6547709), wk = 0.0030488 k( 68) = ( 0.6210566 0.6210566 0.6609278), wk = 0.0030488 k( 69) = ( 0.6133933 0.6133933 0.6670847), wk = 0.0030488 k( 70) = ( 0.6057300 0.6057300 0.6732416), wk = 0.0030488 k( 71) = ( 0.5980667 0.5980667 0.6793984), wk = 0.0030488 k( 72) = ( 0.5904033 0.5904033 0.6855553), wk = 0.0030488 k( 73) = ( 0.5827400 0.5827400 0.6917122), wk = 0.0030488 k( 74) = ( 0.5750767 0.5750767 0.6978691), wk = 0.0030488 k( 75) = ( 0.5674134 0.5674134 0.7040259), wk = 0.0030488 k( 76) = ( 0.5597500 0.5597500 0.7101828), wk = 0.0030488 k( 77) = ( 0.5520867 0.5520867 0.7163397), wk = 0.0030488 k( 78) = ( 0.5444234 0.5444234 0.7224966), wk = 0.0030488 k( 79) = ( 0.5367601 0.5367601 0.7286534), wk = 0.0030488 k( 80) = ( 0.5290968 0.5290968 0.7348103), wk = 0.0030488 k( 81) = ( 0.5214334 0.5214334 0.7409672), wk = 0.0030488 k( 82) = ( 0.5137701 0.5137701 0.7471240), wk = 0.0030488 k( 83) = ( 0.5061068 0.5061068 0.7532809), wk = 0.0030488 k( 84) = ( 0.4984435 0.4984435 0.7594378), wk = 0.0030488 k( 85) = ( 0.4907801 0.4907801 0.7655947), wk = 0.0030488 k( 86) = ( 0.4831168 0.4831168 0.7717515), wk = 0.0030488 k( 87) = ( 0.4754535 0.4754535 0.7779084), wk = 0.0030488 k( 88) = ( 0.4677902 0.4677902 0.7840653), wk = 0.0030488 k( 89) = ( 0.4601268 0.4601268 0.7902222), wk = 0.0030488 k( 90) = ( 0.4524635 0.4524635 0.7963790), wk = 0.0030488 k( 91) = ( 0.4448002 0.4448002 0.8025359), wk = 0.0030488 k( 92) = ( 0.4371369 0.4371369 0.8086928), wk = 0.0030488 k( 93) = ( 0.4294736 0.4294736 0.8148497), wk = 0.0030488 k( 94) = ( 0.4218102 0.4218102 0.8210066), wk = 0.0030488 k( 95) = ( 0.4141469 0.4141469 0.8271634), wk = 0.0030488 k( 96) = ( 0.4064836 0.4064836 0.8333203), wk = 0.0030488 k( 97) = ( 0.3988203 0.3988203 0.8394772), wk = 0.0030488 k( 98) = ( 0.3911570 0.3911570 0.8456341), wk = 0.0030488 k( 99) = ( 0.3834936 0.3834936 0.8517909), wk = 0.0030488 k( 100) = ( 0.3758303 0.3758303 0.8579478), wk = 0.0030488 k( 101) = ( 0.3681670 0.3681670 0.8641047), wk = 0.0030488 k( 102) = ( 0.3681670 0.3681670 0.8641047), wk = 0.0030488 k( 103) = ( 0.3554716 0.3554716 0.8515493), wk = 0.0030488 k( 104) = ( 0.3427762 0.3427762 0.8389940), wk = 0.0030488 k( 105) = ( 0.3300807 0.3300807 0.8264387), wk = 0.0030488 k( 106) = ( 0.3173853 0.3173853 0.8138833), wk = 0.0030488 k( 107) = ( 0.3046899 0.3046899 0.8013280), wk = 0.0030488 k( 108) = ( 0.2919945 0.2919945 0.7887727), wk = 0.0030488 k( 109) = ( 0.2792991 0.2792991 0.7762173), wk = 0.0030488 k( 110) = ( 0.2666037 0.2666037 0.7636620), wk = 0.0030488 k( 111) = ( 0.2539083 0.2539083 0.7511067), wk = 0.0030488 k( 112) = ( 0.2412129 0.2412129 0.7385513), wk = 0.0030488 k( 113) = ( 0.2285174 0.2285174 0.7259960), wk = 0.0030488 k( 114) = ( 0.2158220 0.2158220 0.7134407), wk = 0.0030488 k( 115) = ( 0.2031266 0.2031266 0.7008853), wk = 0.0030488 k( 116) = ( 0.1904312 0.1904312 0.6883300), wk = 0.0030488 k( 117) = ( 0.1777358 0.1777358 0.6757747), wk = 0.0030488 k( 118) = ( 0.1650404 0.1650404 0.6632193), wk = 0.0030488 k( 119) = ( 0.1523450 0.1523450 0.6506640), wk = 0.0030488 k( 120) = ( 0.1396496 0.1396496 0.6381087), wk = 0.0030488 k( 121) = ( 0.1269541 0.1269541 0.6255533), wk = 0.0030488 k( 122) = ( 0.1142587 0.1142587 0.6129980), wk = 0.0030488 k( 123) = ( 0.1015633 0.1015633 0.6004427), wk = 0.0030488 k( 124) = ( 0.0888679 0.0888679 0.5878873), wk = 0.0030488 k( 125) = ( 0.0761725 0.0761725 0.5753320), wk = 0.0030488 k( 126) = ( 0.0634771 0.0634771 0.5627767), wk = 0.0030488 k( 127) = ( 0.0507816 0.0507817 0.5502213), wk = 0.0030488 k( 128) = ( 0.0380862 0.0380862 0.5376660), wk = 0.0030488 k( 129) = ( 0.0253908 0.0253908 0.5251107), wk = 0.0030488 k( 130) = ( 0.0126954 0.0126954 0.5125553), wk = 0.0030488 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 132) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 133) = ( 0.0125000 -0.0125000 0.5000000), wk = 0.0030488 k( 134) = ( 0.0250000 -0.0250000 0.5000000), wk = 0.0030488 k( 135) = ( 0.0375000 -0.0375000 0.5000000), wk = 0.0030488 k( 136) = ( 0.0500000 -0.0500000 0.5000000), wk = 0.0030488 k( 137) = ( 0.0625000 -0.0625000 0.5000000), wk = 0.0030488 k( 138) = ( 0.0750000 -0.0750000 0.5000000), wk = 0.0030488 k( 139) = ( 0.0875000 -0.0875000 0.5000000), wk = 0.0030488 k( 140) = ( 0.1000000 -0.1000000 0.5000000), wk = 0.0030488 k( 141) = ( 0.1125000 -0.1125000 0.5000000), wk = 0.0030488 k( 142) = ( 0.1250000 -0.1250000 0.5000000), wk = 0.0030488 k( 143) = ( 0.1375000 -0.1375000 0.5000000), wk = 0.0030488 k( 144) = ( 0.1500000 -0.1500000 0.5000000), wk = 0.0030488 k( 145) = ( 0.1625000 -0.1625000 0.5000000), wk = 0.0030488 k( 146) = ( 0.1750000 -0.1750000 0.5000000), wk = 0.0030488 k( 147) = ( 0.1875000 -0.1875000 0.5000000), wk = 0.0030488 k( 148) = ( 0.2000000 -0.2000000 0.5000000), wk = 0.0030488 k( 149) = ( 0.2125000 -0.2125000 0.5000000), wk = 0.0030488 k( 150) = ( 0.2250000 -0.2250000 0.5000000), wk = 0.0030488 k( 151) = ( 0.2375000 -0.2375000 0.5000000), wk = 0.0030488 k( 152) = ( 0.2500000 -0.2500000 0.5000000), wk = 0.0030488 k( 153) = ( 0.2625000 -0.2625000 0.5000000), wk = 0.0030488 k( 154) = ( 0.2750000 -0.2750000 0.5000000), wk = 0.0030488 k( 155) = ( 0.2875000 -0.2875000 0.5000000), wk = 0.0030488 k( 156) = ( 0.3000000 -0.3000000 0.5000000), wk = 0.0030488 k( 157) = ( 0.3125000 -0.3125000 0.5000000), wk = 0.0030488 k( 158) = ( 0.3250000 -0.3250000 0.5000000), wk = 0.0030488 k( 159) = ( 0.3375000 -0.3375000 0.5000000), wk = 0.0030488 k( 160) = ( 0.3500000 -0.3500000 0.5000000), wk = 0.0030488 k( 161) = ( 0.3625000 -0.3625000 0.5000000), wk = 0.0030488 k( 162) = ( 0.3750000 -0.3750000 0.5000000), wk = 0.0030488 k( 163) = ( 0.3875000 -0.3875000 0.5000000), wk = 0.0030488 k( 164) = ( 0.4000000 -0.4000000 0.5000000), wk = 0.0030488 k( 165) = ( 0.4125000 -0.4125000 0.5000000), wk = 0.0030488 k( 166) = ( 0.4250000 -0.4250000 0.5000000), wk = 0.0030488 k( 167) = ( 0.4375000 -0.4375000 0.5000000), wk = 0.0030488 k( 168) = ( 0.4500000 -0.4500000 0.5000000), wk = 0.0030488 k( 169) = ( 0.4625000 -0.4625000 0.5000000), wk = 0.0030488 k( 170) = ( 0.4750000 -0.4750000 0.5000000), wk = 0.0030488 k( 171) = ( 0.4875000 -0.4875000 0.5000000), wk = 0.0030488 k( 172) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0030488 k( 173) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0030488 k( 174) = ( 0.4879961 -0.5120039 0.4881286), wk = 0.0030488 k( 175) = ( 0.4759922 -0.5240078 0.4762571), wk = 0.0030488 k( 176) = ( 0.4639884 -0.5360116 0.4643857), wk = 0.0030488 k( 177) = ( 0.4519845 -0.5480155 0.4525143), wk = 0.0030488 k( 178) = ( 0.4399806 -0.5600194 0.4406428), wk = 0.0030488 k( 179) = ( 0.4279767 -0.5720233 0.4287714), wk = 0.0030488 k( 180) = ( 0.4159728 -0.5840272 0.4169000), wk = 0.0030488 k( 181) = ( 0.4039689 -0.5960311 0.4050285), wk = 0.0030488 k( 182) = ( 0.3919651 -0.6080349 0.3931571), wk = 0.0030488 k( 183) = ( 0.3799612 -0.6200388 0.3812857), wk = 0.0030488 k( 184) = ( 0.3679573 -0.6320427 0.3694142), wk = 0.0030488 k( 185) = ( 0.3559534 -0.6440466 0.3575428), wk = 0.0030488 k( 186) = ( 0.6318330 -0.3681670 0.1358953), wk = 0.0030488 k( 187) = ( 0.6245730 -0.3754270 0.1154124), wk = 0.0030488 k( 188) = ( 0.6173130 -0.3826870 0.0949294), wk = 0.0030488 k( 189) = ( 0.6100530 -0.3899470 0.0744464), wk = 0.0030488 k( 190) = ( 0.6027931 -0.3972069 0.0539635), wk = 0.0030488 k( 191) = ( 0.5955331 -0.4044669 0.0334805), wk = 0.0030488 k( 192) = ( 0.5882731 -0.4117269 0.0129976), wk = 0.0030488 k( 193) = ( 0.5810131 -0.4189869 -0.0074854), wk = 0.0030488 k( 194) = ( 0.5737531 -0.4262469 -0.0279684), wk = 0.0030488 k( 195) = ( 0.5664931 -0.4335069 -0.0484513), wk = 0.0030488 k( 196) = ( 0.5592331 -0.4407669 -0.0689343), wk = 0.0030488 k( 197) = ( 0.5519731 -0.4480269 -0.0894172), wk = 0.0030488 k( 198) = ( 0.5447131 -0.4552869 -0.1099002), wk = 0.0030488 k( 199) = ( 0.5374532 -0.4625468 -0.1303832), wk = 0.0030488 k( 200) = ( 0.5301932 -0.4698068 -0.1508661), wk = 0.0030488 k( 201) = ( 0.5229332 -0.4770668 -0.1713491), wk = 0.0030488 k( 202) = ( 0.5156732 -0.4843268 -0.1918320), wk = 0.0030488 k( 203) = ( 0.5084132 -0.4915868 -0.2123150), wk = 0.0030488 k( 204) = ( 0.5011532 -0.4988468 -0.2327980), wk = 0.0030488 k( 205) = ( 0.4938932 -0.5061068 -0.2532809), wk = 0.0030488 k( 206) = ( 0.4938932 -0.5061068 -0.2532809), wk = 0.0030488 k( 207) = ( 0.4943003 -0.5056997 -0.2363955), wk = 0.0030488 k( 208) = ( 0.4947075 -0.5052925 -0.2195101), wk = 0.0030488 k( 209) = ( 0.4951146 -0.5048854 -0.2026247), wk = 0.0030488 k( 210) = ( 0.4955217 -0.5044783 -0.1857393), wk = 0.0030488 k( 211) = ( 0.4959288 -0.5040712 -0.1688540), wk = 0.0030488 k( 212) = ( 0.4963359 -0.5036641 -0.1519686), wk = 0.0030488 k( 213) = ( 0.4967431 -0.5032570 -0.1350832), wk = 0.0030488 k( 214) = ( 0.4971502 -0.5028498 -0.1181978), wk = 0.0030488 k( 215) = ( 0.4975573 -0.5024427 -0.1013124), wk = 0.0030488 k( 216) = ( 0.4979644 -0.5020356 -0.0844270), wk = 0.0030488 k( 217) = ( 0.4983715 -0.5016285 -0.0675416), wk = 0.0030488 k( 218) = ( 0.4987786 -0.5012214 -0.0506562), wk = 0.0030488 k( 219) = ( 0.4991858 -0.5008142 -0.0337708), wk = 0.0030488 k( 220) = ( 0.4995929 -0.5004071 -0.0168854), wk = 0.0030488 k( 221) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0030488 k( 222) = ( 0.5000000 -0.5000000 0.0000000), wk = 0.0030488 k( 223) = ( 0.4875000 -0.4875000 -0.0000000), wk = 0.0030488 k( 224) = ( 0.4750000 -0.4750000 -0.0000000), wk = 0.0030488 k( 225) = ( 0.4625000 -0.4625000 -0.0000000), wk = 0.0030488 k( 226) = ( 0.4500000 -0.4500000 -0.0000000), wk = 0.0030488 k( 227) = ( 0.4375000 -0.4375000 -0.0000000), wk = 0.0030488 k( 228) = ( 0.4250000 -0.4250000 0.0000000), wk = 0.0030488 k( 229) = ( 0.4125000 -0.4125000 0.0000000), wk = 0.0030488 k( 230) = ( 0.4000000 -0.4000000 0.0000000), wk = 0.0030488 k( 231) = ( 0.3875000 -0.3875000 0.0000000), wk = 0.0030488 k( 232) = ( 0.3750000 -0.3750000 0.0000000), wk = 0.0030488 k( 233) = ( 0.3625000 -0.3625000 0.0000000), wk = 0.0030488 k( 234) = ( 0.3500000 -0.3500000 -0.0000000), wk = 0.0030488 k( 235) = ( 0.3375000 -0.3375000 0.0000000), wk = 0.0030488 k( 236) = ( 0.3250000 -0.3250000 -0.0000000), wk = 0.0030488 k( 237) = ( 0.3125000 -0.3125000 -0.0000000), wk = 0.0030488 k( 238) = ( 0.3000000 -0.3000000 0.0000000), wk = 0.0030488 k( 239) = ( 0.2875000 -0.2875000 -0.0000000), wk = 0.0030488 k( 240) = ( 0.2750000 -0.2750000 0.0000000), wk = 0.0030488 k( 241) = ( 0.2625000 -0.2625000 -0.0000000), wk = 0.0030488 k( 242) = ( 0.2500000 -0.2500000 0.0000000), wk = 0.0030488 k( 243) = ( 0.2375000 -0.2375000 -0.0000000), wk = 0.0030488 k( 244) = ( 0.2250000 -0.2250000 -0.0000000), wk = 0.0030488 k( 245) = ( 0.2125000 -0.2125000 0.0000000), wk = 0.0030488 k( 246) = ( 0.2000000 -0.2000000 0.0000000), wk = 0.0030488 k( 247) = ( 0.1875000 -0.1875000 0.0000000), wk = 0.0030488 k( 248) = ( 0.1750000 -0.1750000 -0.0000000), wk = 0.0030488 k( 249) = ( 0.1625000 -0.1625000 -0.0000000), wk = 0.0030488 k( 250) = ( 0.1500000 -0.1500000 0.0000000), wk = 0.0030488 k( 251) = ( 0.1375000 -0.1375000 0.0000000), wk = 0.0030488 k( 252) = ( 0.1250000 -0.1250000 0.0000000), wk = 0.0030488 k( 253) = ( 0.1125000 -0.1125000 -0.0000000), wk = 0.0030488 k( 254) = ( 0.1000000 -0.1000000 0.0000000), wk = 0.0030488 k( 255) = ( 0.0875000 -0.0875000 -0.0000000), wk = 0.0030488 k( 256) = ( 0.0750000 -0.0750000 0.0000000), wk = 0.0030488 k( 257) = ( 0.0625000 -0.0625000 0.0000000), wk = 0.0030488 k( 258) = ( 0.0500000 -0.0500000 0.0000000), wk = 0.0030488 k( 259) = ( 0.0375000 -0.0375000 0.0000000), wk = 0.0030488 k( 260) = ( 0.0250000 -0.0250000 0.0000000), wk = 0.0030488 k( 261) = ( 0.0125000 -0.0125000 0.0000000), wk = 0.0030488 k( 262) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 263) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 264) = ( 0.0156250 0.0000000 -0.0000000), wk = 0.0030488 k( 265) = ( 0.0312500 0.0000000 -0.0000000), wk = 0.0030488 k( 266) = ( 0.0468750 0.0000000 0.0000000), wk = 0.0030488 k( 267) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0030488 k( 268) = ( 0.0781250 -0.0000000 -0.0000000), wk = 0.0030488 k( 269) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0030488 k( 270) = ( 0.1093750 -0.0000000 -0.0000000), wk = 0.0030488 k( 271) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0030488 k( 272) = ( 0.1406250 -0.0000000 -0.0000000), wk = 0.0030488 k( 273) = ( 0.1562500 -0.0000000 -0.0000000), wk = 0.0030488 k( 274) = ( 0.1718750 -0.0000000 0.0000000), wk = 0.0030488 k( 275) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0030488 k( 276) = ( 0.2031250 -0.0000000 -0.0000000), wk = 0.0030488 k( 277) = ( 0.2187500 -0.0000000 -0.0000000), wk = 0.0030488 k( 278) = ( 0.2343750 0.0000000 -0.0000000), wk = 0.0030488 k( 279) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0030488 k( 280) = ( 0.2656250 -0.0000000 -0.0000000), wk = 0.0030488 k( 281) = ( 0.2812500 -0.0000000 -0.0000000), wk = 0.0030488 k( 282) = ( 0.2968750 0.0000000 -0.0000000), wk = 0.0030488 k( 283) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0030488 k( 284) = ( 0.3281250 -0.0000000 0.0000000), wk = 0.0030488 k( 285) = ( 0.3437500 -0.0000000 0.0000000), wk = 0.0030488 k( 286) = ( 0.3593750 0.0000000 0.0000000), wk = 0.0030488 k( 287) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0030488 k( 288) = ( 0.3906250 -0.0000000 0.0000000), wk = 0.0030488 k( 289) = ( 0.4062500 -0.0000000 -0.0000000), wk = 0.0030488 k( 290) = ( 0.4218750 0.0000000 -0.0000000), wk = 0.0030488 k( 291) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0030488 k( 292) = ( 0.4531250 0.0000000 -0.0000000), wk = 0.0030488 k( 293) = ( 0.4687500 0.0000000 -0.0000000), wk = 0.0030488 k( 294) = ( 0.4843750 -0.0000000 -0.0000000), wk = 0.0030488 k( 295) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030488 k( 296) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030488 k( 297) = ( 0.4843750 -0.0000000 0.4843750), wk = 0.0030488 k( 298) = ( 0.4687500 0.0000000 0.4687500), wk = 0.0030488 k( 299) = ( 0.4531250 0.0000000 0.4531250), wk = 0.0030488 k( 300) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0030488 k( 301) = ( 0.4218750 0.0000000 0.4218750), wk = 0.0030488 k( 302) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0030488 k( 303) = ( 0.3906250 -0.0000000 0.3906250), wk = 0.0030488 k( 304) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0030488 k( 305) = ( 0.3593750 0.0000000 0.3593750), wk = 0.0030488 k( 306) = ( 0.3437500 -0.0000000 0.3437500), wk = 0.0030488 k( 307) = ( 0.3281250 -0.0000000 0.3281250), wk = 0.0030488 k( 308) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0030488 k( 309) = ( 0.2968750 0.0000000 0.2968750), wk = 0.0030488 k( 310) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0030488 k( 311) = ( 0.2656250 -0.0000000 0.2656250), wk = 0.0030488 k( 312) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0030488 k( 313) = ( 0.2343750 0.0000000 0.2343750), wk = 0.0030488 k( 314) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0030488 k( 315) = ( 0.2031250 -0.0000000 0.2031250), wk = 0.0030488 k( 316) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0030488 k( 317) = ( 0.1718750 -0.0000000 0.1718750), wk = 0.0030488 k( 318) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0030488 k( 319) = ( 0.1406250 -0.0000000 0.1406250), wk = 0.0030488 k( 320) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0030488 k( 321) = ( 0.1093750 -0.0000000 0.1093750), wk = 0.0030488 k( 322) = ( 0.0937500 0.0000000 0.0937500), wk = 0.0030488 k( 323) = ( 0.0781250 -0.0000000 0.0781250), wk = 0.0030488 k( 324) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0030488 k( 325) = ( 0.0468750 0.0000000 0.0468750), wk = 0.0030488 k( 326) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0030488 k( 327) = ( 0.0156250 0.0000000 0.0156250), wk = 0.0030488 k( 328) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 Dense grid: 163489 G-vectors FFT dimensions: ( 72, 72, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.84 Mb ( 1144, 48) NL pseudopotentials 2.02 Mb ( 572, 232) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.03 Mb ( 4541) G-vector shells 0.03 Mb ( 4321) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.35 Mb ( 1144, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.34 Mb ( 232, 2, 48) The potential is recalculated from file : ./LiSbS2.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 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.6 secs Computing kpt #: 3 total cpu time spent up to now is 7.0 secs Computing kpt #: 4 total cpu time spent up to now is 8.7 secs Computing kpt #: 5 total cpu time spent up to now is 10.3 secs Computing kpt #: 6 total cpu time spent up to now is 12.0 secs Computing kpt #: 7 total cpu time spent up to now is 13.6 secs Computing kpt #: 8 total cpu time spent up to now is 15.3 secs Computing kpt #: 9 total cpu time spent up to now is 17.0 secs Computing kpt #: 10 total cpu time spent up to now is 18.7 secs Computing kpt #: 11 total cpu time spent up to now is 20.4 secs Computing kpt #: 12 total cpu time spent up to now is 22.1 secs Computing kpt #: 13 total cpu time spent up to now is 23.5 secs Computing kpt #: 14 total cpu time spent up to now is 24.8 secs Computing kpt #: 15 total cpu time spent up to now is 26.2 secs Computing kpt #: 16 total cpu time spent up to now is 27.6 secs Computing kpt #: 17 total cpu time spent up to now is 28.9 secs Computing kpt #: 18 total cpu time spent up to now is 30.3 secs Computing kpt #: 19 total cpu time spent up to now is 32.1 secs Computing kpt #: 20 total cpu time spent up to now is 33.5 secs Computing kpt #: 21 total cpu time spent up to now is 34.8 secs Computing kpt #: 22 total cpu time spent up to now is 36.2 secs Computing kpt #: 23 total cpu time spent up to now is 37.5 secs Computing kpt #: 24 total cpu time spent up to now is 38.8 secs Computing kpt #: 25 total cpu time spent up to now is 40.1 secs Computing kpt #: 26 total cpu time spent up to now is 41.5 secs Computing kpt #: 27 total cpu time spent up to now is 42.8 secs Computing kpt #: 28 total cpu time spent up to now is 44.1 secs Computing kpt #: 29 total cpu time spent up to now is 45.4 secs Computing kpt #: 30 total cpu time spent up to now is 46.8 secs Computing kpt #: 31 total cpu time spent up to now is 48.2 secs Computing kpt #: 32 total cpu time spent up to now is 49.6 secs Computing kpt #: 33 total cpu time spent up to now is 51.0 secs Computing kpt #: 34 total cpu time spent up to now is 52.4 secs Computing kpt #: 35 total cpu time spent up to now is 53.7 secs Computing kpt #: 36 total cpu time spent up to now is 55.1 secs Computing kpt #: 37 total cpu time spent up to now is 56.5 secs Computing kpt #: 38 total cpu time spent up to now is 57.9 secs Computing kpt #: 39 total cpu time spent up to now is 59.3 secs Computing kpt #: 40 total cpu time spent up to now is 60.7 secs Computing kpt #: 41 total cpu time spent up to now is 62.0 secs Computing kpt #: 42 total cpu time spent up to now is 63.4 secs Computing kpt #: 43 total cpu time spent up to now is 64.8 secs Computing kpt #: 44 total cpu time spent up to now is 66.2 secs Computing kpt #: 45 total cpu time spent up to now is 67.6 secs Computing kpt #: 46 total cpu time spent up to now is 69.0 secs Computing kpt #: 47 total cpu time spent up to now is 70.4 secs Computing kpt #: 48 total cpu time spent up to now is 71.8 secs Computing kpt #: 49 total cpu time spent up to now is 73.2 secs Computing kpt #: 50 total cpu time spent up to now is 74.6 secs Computing kpt #: 51 total cpu time spent up to now is 75.9 secs Computing kpt #: 52 total cpu time spent up to now is 77.3 secs Computing kpt #: 53 total cpu time spent up to now is 78.7 secs Computing kpt #: 54 total cpu time spent up to now is 80.0 secs Computing kpt #: 55 total cpu time spent up to now is 81.4 secs Computing kpt #: 56 total cpu time spent up to now is 82.8 secs Computing kpt #: 57 total cpu time spent up to now is 84.2 secs Computing kpt #: 58 total cpu time spent up to now is 85.6 secs Computing kpt #: 59 total cpu time spent up to now is 87.0 secs Computing kpt #: 60 total cpu time spent up to now is 88.3 secs Computing kpt #: 61 total cpu time spent up to now is 89.7 secs Computing kpt #: 62 total cpu time spent up to now is 91.1 secs Computing kpt #: 63 total cpu time spent up to now is 92.5 secs Computing kpt #: 64 total cpu time spent up to now is 93.8 secs Computing kpt #: 65 total cpu time spent up to now is 95.2 secs Computing kpt #: 66 total cpu time spent up to now is 96.5 secs Computing kpt #: 67 total cpu time spent up to now is 97.9 secs Computing kpt #: 68 total cpu time spent up to now is 99.3 secs Computing kpt #: 69 total cpu time spent up to now is 100.6 secs Computing kpt #: 70 total cpu time spent up to now is 102.0 secs Computing kpt #: 71 total cpu time spent up to now is 103.4 secs Computing kpt #: 72 total cpu time spent up to now is 104.8 secs Computing kpt #: 73 total cpu time spent up to now is 106.2 secs Computing kpt #: 74 total cpu time spent up to now is 107.6 secs Computing kpt #: 75 total cpu time spent up to now is 109.0 secs Computing kpt #: 76 total cpu time spent up to now is 110.3 secs Computing kpt #: 77 total cpu time spent up to now is 111.7 secs Computing kpt #: 78 total cpu time spent up to now is 113.1 secs Computing kpt #: 79 total cpu time spent up to now is 114.5 secs Computing kpt #: 80 total cpu time spent up to now is 115.8 secs Computing kpt #: 81 total cpu time spent up to now is 117.2 secs Computing kpt #: 82 total cpu time spent up to now is 118.6 secs Computing kpt #: 83 total cpu time spent up to now is 120.0 secs Computing kpt #: 84 total cpu time spent up to now is 121.4 secs Computing kpt #: 85 total cpu time spent up to now is 122.7 secs Computing kpt #: 86 total cpu time spent up to now is 124.1 secs Computing kpt #: 87 total cpu time spent up to now is 125.5 secs Computing kpt #: 88 total cpu time spent up to now is 126.9 secs Computing kpt #: 89 total cpu time spent up to now is 128.2 secs Computing kpt #: 90 total cpu time spent up to now is 129.6 secs Computing kpt #: 91 total cpu time spent up to now is 131.0 secs Computing kpt #: 92 total cpu time spent up to now is 132.3 secs Computing kpt #: 93 total cpu time spent up to now is 133.7 secs Computing kpt #: 94 total cpu time spent up to now is 135.0 secs Computing kpt #: 95 total cpu time spent up to now is 136.3 secs Computing kpt #: 96 total cpu time spent up to now is 137.6 secs Computing kpt #: 97 total cpu time spent up to now is 139.0 secs Computing kpt #: 98 total cpu time spent up to now is 140.3 secs Computing kpt #: 99 total cpu time spent up to now is 141.6 secs Computing kpt #: 100 total cpu time spent up to now is 143.0 secs Computing kpt #: 101 total cpu time spent up to now is 144.3 secs Computing kpt #: 102 total cpu time spent up to now is 145.6 secs Computing kpt #: 103 total cpu time spent up to now is 147.0 secs Computing kpt #: 104 total cpu time spent up to now is 148.3 secs Computing kpt #: 105 total cpu time spent up to now is 149.7 secs Computing kpt #: 106 total cpu time spent up to now is 151.0 secs Computing kpt #: 107 total cpu time spent up to now is 152.3 secs Computing kpt #: 108 total cpu time spent up to now is 153.7 secs Computing kpt #: 109 total cpu time spent up to now is 155.0 secs Computing kpt #: 110 total cpu time spent up to now is 156.4 secs Computing kpt #: 111 total cpu time spent up to now is 157.8 secs Computing kpt #: 112 total cpu time spent up to now is 159.1 secs Computing kpt #: 113 total cpu time spent up to now is 160.5 secs Computing kpt #: 114 total cpu time spent up to now is 161.9 secs Computing kpt #: 115 total cpu time spent up to now is 163.4 secs Computing kpt #: 116 total cpu time spent up to now is 165.0 secs Computing kpt #: 117 total cpu time spent up to now is 166.6 secs Computing kpt #: 118 total cpu time spent up to now is 168.3 secs Computing kpt #: 119 total cpu time spent up to now is 169.9 secs Computing kpt #: 120 total cpu time spent up to now is 171.6 secs Computing kpt #: 121 total cpu time spent up to now is 173.3 secs Computing kpt #: 122 total cpu time spent up to now is 175.0 secs Computing kpt #: 123 total cpu time spent up to now is 176.7 secs Computing kpt #: 124 total cpu time spent up to now is 178.5 secs Computing kpt #: 125 total cpu time spent up to now is 180.3 secs Computing kpt #: 126 total cpu time spent up to now is 182.0 secs Computing kpt #: 127 total cpu time spent up to now is 184.1 secs Computing kpt #: 128 total cpu time spent up to now is 186.2 secs Computing kpt #: 129 total cpu time spent up to now is 188.0 secs Computing kpt #: 130 total cpu time spent up to now is 189.7 secs Computing kpt #: 131 total cpu time spent up to now is 191.4 secs Computing kpt #: 132 total cpu time spent up to now is 193.1 secs Computing kpt #: 133 total cpu time spent up to now is 194.9 secs Computing kpt #: 134 total cpu time spent up to now is 196.6 secs Computing kpt #: 135 total cpu time spent up to now is 198.3 secs Computing kpt #: 136 total cpu time spent up to now is 200.0 secs Computing kpt #: 137 total cpu time spent up to now is 201.7 secs Computing kpt #: 138 total cpu time spent up to now is 203.4 secs Computing kpt #: 139 total cpu time spent up to now is 205.1 secs Computing kpt #: 140 total cpu time spent up to now is 206.8 secs Computing kpt #: 141 total cpu time spent up to now is 208.4 secs Computing kpt #: 142 total cpu time spent up to now is 210.1 secs Computing kpt #: 143 total cpu time spent up to now is 211.7 secs Computing kpt #: 144 total cpu time spent up to now is 213.1 secs Computing kpt #: 145 total cpu time spent up to now is 214.6 secs Computing kpt #: 146 total cpu time spent up to now is 216.0 secs Computing kpt #: 147 total cpu time spent up to now is 217.4 secs Computing kpt #: 148 total cpu time spent up to now is 218.9 secs Computing kpt #: 149 total cpu time spent up to now is 220.3 secs Computing kpt #: 150 total cpu time spent up to now is 221.7 secs Computing kpt #: 151 total cpu time spent up to now is 223.1 secs Computing kpt #: 152 total cpu time spent up to now is 224.4 secs Computing kpt #: 153 total cpu time spent up to now is 225.8 secs Computing kpt #: 154 total cpu time spent up to now is 227.2 secs Computing kpt #: 155 total cpu time spent up to now is 228.6 secs Computing kpt #: 156 total cpu time spent up to now is 230.0 secs Computing kpt #: 157 total cpu time spent up to now is 231.4 secs Computing kpt #: 158 total cpu time spent up to now is 232.8 secs Computing kpt #: 159 total cpu time spent up to now is 234.1 secs Computing kpt #: 160 total cpu time spent up to now is 235.5 secs Computing kpt #: 161 total cpu time spent up to now is 236.9 secs Computing kpt #: 162 total cpu time spent up to now is 238.3 secs Computing kpt #: 163 total cpu time spent up to now is 239.6 secs Computing kpt #: 164 total cpu time spent up to now is 241.0 secs Computing kpt #: 165 total cpu time spent up to now is 242.4 secs Computing kpt #: 166 total cpu time spent up to now is 243.8 secs Computing kpt #: 167 total cpu time spent up to now is 245.1 secs Computing kpt #: 168 total cpu time spent up to now is 246.5 secs Computing kpt #: 169 total cpu time spent up to now is 247.9 secs Computing kpt #: 170 total cpu time spent up to now is 249.2 secs Computing kpt #: 171 total cpu time spent up to now is 250.6 secs Computing kpt #: 172 total cpu time spent up to now is 251.9 secs Computing kpt #: 173 total cpu time spent up to now is 253.3 secs Computing kpt #: 174 total cpu time spent up to now is 254.7 secs Computing kpt #: 175 total cpu time spent up to now is 256.0 secs Computing kpt #: 176 total cpu time spent up to now is 257.4 secs Computing kpt #: 177 total cpu time spent up to now is 258.8 secs Computing kpt #: 178 total cpu time spent up to now is 260.1 secs Computing kpt #: 179 total cpu time spent up to now is 261.5 secs Computing kpt #: 180 total cpu time spent up to now is 262.9 secs Computing kpt #: 181 total cpu time spent up to now is 264.3 secs Computing kpt #: 182 total cpu time spent up to now is 265.7 secs Computing kpt #: 183 total cpu time spent up to now is 267.1 secs Computing kpt #: 184 total cpu time spent up to now is 268.5 secs Computing kpt #: 185 total cpu time spent up to now is 269.8 secs Computing kpt #: 186 total cpu time spent up to now is 271.1 secs Computing kpt #: 187 total cpu time spent up to now is 272.5 secs Computing kpt #: 188 total cpu time spent up to now is 273.8 secs Computing kpt #: 189 total cpu time spent up to now is 275.2 secs Computing kpt #: 190 total cpu time spent up to now is 276.5 secs Computing kpt #: 191 total cpu time spent up to now is 277.9 secs Computing kpt #: 192 total cpu time spent up to now is 279.2 secs Computing kpt #: 193 total cpu time spent up to now is 280.5 secs Computing kpt #: 194 total cpu time spent up to now is 281.9 secs Computing kpt #: 195 total cpu time spent up to now is 283.3 secs Computing kpt #: 196 total cpu time spent up to now is 284.6 secs Computing kpt #: 197 total cpu time spent up to now is 286.0 secs Computing kpt #: 198 total cpu time spent up to now is 287.4 secs Computing kpt #: 199 total cpu time spent up to now is 288.8 secs Computing kpt #: 200 total cpu time spent up to now is 290.1 secs Computing kpt #: 201 total cpu time spent up to now is 291.5 secs Computing kpt #: 202 total cpu time spent up to now is 292.9 secs Computing kpt #: 203 total cpu time spent up to now is 294.3 secs Computing kpt #: 204 total cpu time spent up to now is 295.7 secs Computing kpt #: 205 total cpu time spent up to now is 297.1 secs Computing kpt #: 206 total cpu time spent up to now is 298.4 secs Computing kpt #: 207 total cpu time spent up to now is 299.8 secs Computing kpt #: 208 total cpu time spent up to now is 301.2 secs Computing kpt #: 209 total cpu time spent up to now is 302.6 secs Computing kpt #: 210 total cpu time spent up to now is 304.0 secs Computing kpt #: 211 total cpu time spent up to now is 305.3 secs Computing kpt #: 212 total cpu time spent up to now is 306.7 secs Computing kpt #: 213 total cpu time spent up to now is 308.0 secs Computing kpt #: 214 total cpu time spent up to now is 309.4 secs Computing kpt #: 215 total cpu time spent up to now is 310.7 secs Computing kpt #: 216 total cpu time spent up to now is 312.0 secs Computing kpt #: 217 total cpu time spent up to now is 313.3 secs Computing kpt #: 218 total cpu time spent up to now is 314.7 secs Computing kpt #: 219 total cpu time spent up to now is 316.0 secs Computing kpt #: 220 total cpu time spent up to now is 317.3 secs Computing kpt #: 221 total cpu time spent up to now is 318.6 secs Computing kpt #: 222 total cpu time spent up to now is 319.8 secs Computing kpt #: 223 total cpu time spent up to now is 321.1 secs Computing kpt #: 224 total cpu time spent up to now is 322.4 secs Computing kpt #: 225 total cpu time spent up to now is 323.7 secs Computing kpt #: 226 total cpu time spent up to now is 325.0 secs Computing kpt #: 227 total cpu time spent up to now is 326.3 secs Computing kpt #: 228 total cpu time spent up to now is 327.6 secs Computing kpt #: 229 total cpu time spent up to now is 328.9 secs Computing kpt #: 230 total cpu time spent up to now is 330.2 secs Computing kpt #: 231 total cpu time spent up to now is 332.1 secs Computing kpt #: 232 total cpu time spent up to now is 333.4 secs Computing kpt #: 233 total cpu time spent up to now is 334.7 secs Computing kpt #: 234 total cpu time spent up to now is 336.0 secs Computing kpt #: 235 total cpu time spent up to now is 337.4 secs Computing kpt #: 236 total cpu time spent up to now is 338.7 secs Computing kpt #: 237 total cpu time spent up to now is 340.0 secs Computing kpt #: 238 total cpu time spent up to now is 341.4 secs Computing kpt #: 239 total cpu time spent up to now is 342.7 secs Computing kpt #: 240 total cpu time spent up to now is 344.1 secs Computing kpt #: 241 total cpu time spent up to now is 345.4 secs Computing kpt #: 242 total cpu time spent up to now is 346.8 secs Computing kpt #: 243 total cpu time spent up to now is 348.1 secs Computing kpt #: 244 total cpu time spent up to now is 349.5 secs Computing kpt #: 245 total cpu time spent up to now is 350.9 secs Computing kpt #: 246 total cpu time spent up to now is 352.3 secs Computing kpt #: 247 total cpu time spent up to now is 353.7 secs Computing kpt #: 248 total cpu time spent up to now is 355.2 secs Computing kpt #: 249 total cpu time spent up to now is 356.6 secs Computing kpt #: 250 total cpu time spent up to now is 358.1 secs Computing kpt #: 251 total cpu time spent up to now is 359.7 secs Computing kpt #: 252 total cpu time spent up to now is 361.4 secs Computing kpt #: 253 total cpu time spent up to now is 363.1 secs Computing kpt #: 254 total cpu time spent up to now is 364.9 secs Computing kpt #: 255 total cpu time spent up to now is 366.6 secs Computing kpt #: 256 total cpu time spent up to now is 368.2 secs Computing kpt #: 257 total cpu time spent up to now is 369.6 secs Computing kpt #: 258 total cpu time spent up to now is 371.1 secs Computing kpt #: 259 total cpu time spent up to now is 372.5 secs Computing kpt #: 260 total cpu time spent up to now is 373.9 secs Computing kpt #: 261 total cpu time spent up to now is 375.4 secs Computing kpt #: 262 total cpu time spent up to now is 376.8 secs Computing kpt #: 263 total cpu time spent up to now is 378.2 secs Computing kpt #: 264 total cpu time spent up to now is 379.7 secs Computing kpt #: 265 total cpu time spent up to now is 381.3 secs Computing kpt #: 266 total cpu time spent up to now is 382.9 secs Computing kpt #: 267 total cpu time spent up to now is 384.3 secs Computing kpt #: 268 total cpu time spent up to now is 386.0 secs Computing kpt #: 269 total cpu time spent up to now is 387.6 secs Computing kpt #: 270 total cpu time spent up to now is 389.3 secs Computing kpt #: 271 total cpu time spent up to now is 391.0 secs Computing kpt #: 272 total cpu time spent up to now is 392.6 secs Computing kpt #: 273 total cpu time spent up to now is 394.3 secs Computing kpt #: 274 total cpu time spent up to now is 396.0 secs Computing kpt #: 275 total cpu time spent up to now is 397.6 secs Computing kpt #: 276 total cpu time spent up to now is 399.2 secs Computing kpt #: 277 total cpu time spent up to now is 400.9 secs Computing kpt #: 278 total cpu time spent up to now is 402.5 secs Computing kpt #: 279 total cpu time spent up to now is 403.9 secs Computing kpt #: 280 total cpu time spent up to now is 405.3 secs Computing kpt #: 281 total cpu time spent up to now is 406.6 secs Computing kpt #: 282 total cpu time spent up to now is 407.9 secs Computing kpt #: 283 total cpu time spent up to now is 409.2 secs Computing kpt #: 284 total cpu time spent up to now is 410.6 secs Computing kpt #: 285 total cpu time spent up to now is 411.9 secs Computing kpt #: 286 total cpu time spent up to now is 413.1 secs Computing kpt #: 287 total cpu time spent up to now is 414.4 secs Computing kpt #: 288 total cpu time spent up to now is 415.7 secs Computing kpt #: 289 total cpu time spent up to now is 417.0 secs Computing kpt #: 290 total cpu time spent up to now is 418.3 secs Computing kpt #: 291 total cpu time spent up to now is 419.6 secs Computing kpt #: 292 total cpu time spent up to now is 420.9 secs Computing kpt #: 293 total cpu time spent up to now is 422.1 secs Computing kpt #: 294 total cpu time spent up to now is 423.4 secs Computing kpt #: 295 total cpu time spent up to now is 424.7 secs Computing kpt #: 296 total cpu time spent up to now is 426.0 secs Computing kpt #: 297 total cpu time spent up to now is 427.2 secs Computing kpt #: 298 total cpu time spent up to now is 428.5 secs Computing kpt #: 299 total cpu time spent up to now is 429.8 secs Computing kpt #: 300 total cpu time spent up to now is 431.0 secs Computing kpt #: 301 total cpu time spent up to now is 432.3 secs Computing kpt #: 302 total cpu time spent up to now is 433.6 secs Computing kpt #: 303 total cpu time spent up to now is 434.9 secs Computing kpt #: 304 total cpu time spent up to now is 436.2 secs Computing kpt #: 305 total cpu time spent up to now is 437.5 secs Computing kpt #: 306 total cpu time spent up to now is 438.8 secs Computing kpt #: 307 total cpu time spent up to now is 440.1 secs Computing kpt #: 308 total cpu time spent up to now is 441.4 secs Computing kpt #: 309 total cpu time spent up to now is 442.7 secs Computing kpt #: 310 total cpu time spent up to now is 444.1 secs Computing kpt #: 311 total cpu time spent up to now is 445.5 secs Computing kpt #: 312 total cpu time spent up to now is 446.9 secs Computing kpt #: 313 total cpu time spent up to now is 448.3 secs Computing kpt #: 314 total cpu time spent up to now is 449.9 secs Computing kpt #: 315 total cpu time spent up to now is 451.6 secs Computing kpt #: 316 total cpu time spent up to now is 453.2 secs Computing kpt #: 317 total cpu time spent up to now is 454.9 secs Computing kpt #: 318 total cpu time spent up to now is 456.7 secs Computing kpt #: 319 total cpu time spent up to now is 458.3 secs Computing kpt #: 320 total cpu time spent up to now is 460.0 secs Computing kpt #: 321 total cpu time spent up to now is 461.6 secs Computing kpt #: 322 total cpu time spent up to now is 463.2 secs Computing kpt #: 323 total cpu time spent up to now is 464.9 secs Computing kpt #: 324 total cpu time spent up to now is 466.5 secs Computing kpt #: 325 total cpu time spent up to now is 467.9 secs Computing kpt #: 326 total cpu time spent up to now is 469.3 secs Computing kpt #: 327 total cpu time spent up to now is 470.8 secs Computing kpt #: 328 total cpu time spent up to now is 472.2 secs ethr = 2.50E-08, avg # of iterations = 18.4 total cpu time spent up to now is 472.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 20453 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0606 -9.0606 -7.1773 -7.1773 -7.0117 -7.0117 -6.9567 -6.9567 -3.4592 -3.4592 -2.0255 -2.0255 -0.4605 -0.4605 0.0786 0.0786 0.4184 0.4184 0.4448 0.4448 0.8912 0.8912 2.6430 2.6430 2.7357 2.7357 3.3221 3.3221 3.4315 3.4315 3.7247 3.7247 3.8007 3.8007 4.0944 4.0944 7.1829 7.1829 8.5370 8.5370 9.1084 9.1084 9.6456 9.6456 k = 0.0118 0.0116-0.0060 ( 20454 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0597 -9.0597 -7.1808 -7.1808 -7.0096 -7.0096 -6.9569 -6.9569 -3.4600 -3.4600 -2.0288 -2.0288 -0.4591 -0.4591 0.0810 0.0810 0.3793 0.3793 0.4903 0.4903 0.8939 0.8939 2.6395 2.6395 2.7363 2.7363 3.3232 3.3232 3.4215 3.4215 3.6977 3.6977 3.8335 3.8335 4.0965 4.0965 7.1823 7.1823 8.5349 8.5349 9.1114 9.1114 9.6494 9.6494 k = 0.0235 0.0233-0.0120 ( 20455 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0568 -9.0568 -7.1906 -7.1906 -7.0036 -7.0036 -6.9575 -6.9575 -3.4624 -3.4624 -2.0389 -2.0389 -0.4547 -0.4547 0.0880 0.0880 0.3365 0.3365 0.5525 0.5525 0.9019 0.9019 2.6292 2.6292 2.7382 2.7382 3.3259 3.3259 3.3919 3.3919 3.6596 3.6596 3.8891 3.8891 4.1027 4.1027 7.1804 7.1804 8.5286 8.5286 9.1203 9.1203 9.6606 9.6606 k = 0.0353 0.0349-0.0180 ( 20463 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0519 -9.0519 -7.2056 -7.2056 -6.9951 -6.9951 -6.9585 -6.9585 -3.4663 -3.4663 -2.0555 -2.0555 -0.4475 -0.4475 0.0992 0.0992 0.3010 0.3010 0.6202 0.6202 0.9155 0.9155 2.6123 2.6123 2.7415 2.7415 3.3207 3.3207 3.3531 3.3531 3.6299 3.6299 3.9467 3.9467 4.1128 4.1128 7.1775 7.1775 8.5182 8.5182 9.1349 9.1349 9.6787 9.6787 k = 0.0471 0.0465-0.0240 ( 20464 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0452 -9.0452 -7.2246 -7.2246 -6.9853 -6.9853 -6.9599 -6.9599 -3.4718 -3.4718 -2.0784 -2.0784 -0.4374 -0.4374 0.1136 0.1136 0.2745 0.2745 0.6924 0.6924 0.9348 0.9348 2.5897 2.5897 2.7462 2.7462 3.2678 3.2678 3.3487 3.3487 3.6087 3.6087 4.0020 4.0020 4.1267 4.1267 7.1742 7.1742 8.5037 8.5037 9.1548 9.1548 9.7026 9.7026 k = 0.0588 0.0581-0.0300 ( 20453 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0366 -9.0366 -7.2465 -7.2465 -6.9751 -6.9751 -6.9616 -6.9616 -3.4786 -3.4786 -2.1076 -2.1076 -0.4244 -0.4244 0.1292 0.1292 0.2590 0.2590 0.7677 0.7677 0.9604 0.9604 2.5622 2.5622 2.7519 2.7519 3.1936 3.1936 3.3570 3.3570 3.5928 3.5928 4.0528 4.0528 4.1443 4.1443 7.1708 7.1708 8.4852 8.4852 9.1795 9.1795 9.7300 9.7300 k = 0.0706 0.0698-0.0360 ( 20451 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0260 -9.0260 -7.2707 -7.2707 -6.9664 -6.9664 -6.9624 -6.9624 -3.4867 -3.4867 -2.1425 -2.1425 -0.4084 -0.4084 0.1430 0.1430 0.2576 0.2576 0.8442 0.8442 0.9936 0.9936 2.5306 2.5306 2.7583 2.7583 3.1125 3.1125 3.3675 3.3675 3.5798 3.5798 4.0981 4.0981 4.1652 4.1652 7.1682 7.1682 8.4630 8.4630 9.2082 9.2082 9.7548 9.7548 k = 0.0824 0.0814-0.0420 ( 20456 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0135 -9.0135 -7.2967 -7.2967 -6.9670 -6.9670 -6.9549 -6.9549 -3.4960 -3.4960 -2.1830 -2.1830 -0.3896 -0.3896 0.1528 0.1528 0.2724 0.2724 0.9181 0.9181 1.0376 1.0376 2.4960 2.4960 2.7641 2.7641 3.0287 3.0287 3.3788 3.3788 3.5679 3.5679 4.1369 4.1369 4.1890 4.1890 7.1670 7.1670 8.4371 8.4371 9.2394 9.2394 9.7495 9.7495 k = 0.0942 0.0930-0.0480 ( 20450 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9992 -8.9992 -7.3242 -7.3242 -6.9697 -6.9697 -6.9464 -6.9464 -3.5062 -3.5062 -2.2285 -2.2285 -0.3678 -0.3678 0.1604 0.1604 0.3011 0.3011 0.9840 0.9840 1.0971 1.0971 2.4592 2.4592 2.7657 2.7657 2.9477 2.9477 3.3906 3.3906 3.5564 3.5564 4.1695 4.1695 4.2147 4.2147 7.1677 7.1677 8.4077 8.4077 9.2703 9.2703 9.6821 9.6821 k = 0.1059 0.1047-0.0540 ( 20447 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9829 -8.9829 -7.3529 -7.3529 -6.9728 -6.9728 -6.9390 -6.9390 -3.5173 -3.5173 -2.2786 -2.2786 -0.3431 -0.3431 0.1692 0.1692 0.3401 0.3401 1.0405 1.0405 1.1726 1.1726 2.4211 2.4211 2.7502 2.7502 2.8834 2.8834 3.4025 3.4025 3.5449 3.5449 4.1969 4.1969 4.2402 4.2402 7.1710 7.1710 8.3748 8.3748 9.2941 9.2941 9.5955 9.5955 k = 0.1177 0.1163-0.0600 ( 20451 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9648 -8.9648 -7.3826 -7.3826 -6.9762 -6.9762 -6.9327 -6.9327 -3.5290 -3.5290 -2.3330 -2.3330 -0.3155 -0.3155 0.1814 0.1814 0.3867 0.3867 1.0920 1.0920 1.2591 1.2591 2.3823 2.3823 2.6966 2.6966 2.8576 2.8576 3.4143 3.4143 3.5333 3.5333 4.2195 4.2195 4.2646 4.2646 7.1772 7.1772 8.3388 8.3388 9.2918 9.2918 9.5253 9.5253 k = 0.1295 0.1279-0.0660 ( 20443 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9448 -8.9448 -7.4133 -7.4133 -6.9799 -6.9799 -6.9277 -6.9277 -3.5412 -3.5412 -2.3911 -2.3911 -0.2849 -0.2849 0.1982 0.1982 0.4393 0.4393 1.1427 1.1427 1.3514 1.3514 2.3438 2.3438 2.6163 2.6163 2.8594 2.8594 3.4256 3.4256 3.5215 3.5215 4.2369 4.2369 4.2881 4.2881 7.1867 7.1867 8.2997 8.2997 9.2365 9.2365 9.4700 9.4700 k = 0.1412 0.1395-0.0721 ( 20465 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9230 -8.9230 -7.4447 -7.4447 -6.9838 -6.9838 -6.9240 -6.9240 -3.5537 -3.5537 -2.4526 -2.4526 -0.2515 -0.2515 0.2197 0.2197 0.4970 0.4970 1.1942 1.1942 1.4470 1.4470 2.3062 2.3062 2.5278 2.5278 2.8711 2.8711 3.4360 3.4360 3.5100 3.5100 4.2478 4.2478 4.3114 4.3114 7.1997 7.1997 8.2577 8.2577 9.1388 9.1388 9.3541 9.3541 k = 0.1530 0.1512-0.0781 ( 20460 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.8994 -8.8994 -7.4767 -7.4767 -6.9879 -6.9879 -6.9217 -6.9217 -3.5663 -3.5663 -2.5170 -2.5170 -0.2152 -0.2152 0.2461 0.2461 0.5594 0.5594 1.2470 1.2470 1.5438 1.5438 2.2702 2.2702 2.4375 2.4375 2.8871 2.8871 3.4446 3.4446 3.4998 3.4998 4.2519 4.2519 4.3350 4.3350 7.2161 7.2161 8.2129 8.2129 9.0231 9.0231 9.2290 9.2290 k = 0.1648 0.1628-0.0841 ( 20454 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.8740 -8.8740 -7.5092 -7.5092 -6.9921 -6.9921 -6.9207 -6.9207 -3.5789 -3.5789 -2.5840 -2.5840 -0.1760 -0.1760 0.2772 0.2772 0.6259 0.6259 1.3007 1.3007 1.6401 1.6401 2.2368 2.2368 2.3483 2.3483 2.9056 2.9056 3.4489 3.4489 3.4932 3.4932 4.2497 4.2497 4.3586 4.3586 7.2359 7.2359 8.1653 8.1653 8.8998 8.8998 9.1012 9.1012 k = 0.1765 0.1744-0.0901 ( 20463 PWs) bands (ev): -40.7516 -40.7516 -40.7511 -40.7511 -8.8468 -8.8468 -7.5422 -7.5422 -6.9964 -6.9964 -6.9211 -6.9211 -3.5912 -3.5912 -2.6531 -2.6531 -0.1340 -0.1340 0.3127 0.3127 0.6963 0.6963 1.3548 1.3548 1.7332 1.7332 2.2069 2.2069 2.2635 2.2635 2.9257 2.9257 3.4462 3.4462 3.4933 3.4933 4.2418 4.2418 4.3819 4.3819 7.2586 7.2586 8.1150 8.1150 8.7731 8.7731 8.9718 8.9718 k = 0.1883 0.1861-0.0961 ( 20451 PWs) bands (ev): -40.7516 -40.7516 -40.7511 -40.7511 -8.8178 -8.8178 -7.5755 -7.5755 -7.0008 -7.0008 -6.9229 -6.9229 -3.6032 -3.6032 -2.7241 -2.7241 -0.0893 -0.0893 0.3523 0.3523 0.7700 0.7700 1.4082 1.4082 1.8164 1.8164 2.1791 2.1791 2.1919 2.1919 2.9472 2.9472 3.4375 3.4375 3.4991 3.4991 4.2290 4.2290 4.4045 4.4045 7.2837 7.2837 8.0617 8.0617 8.6450 8.6450 8.8418 8.8418 k = 0.2001 0.1977-0.1021 ( 20439 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.7872 -8.7872 -7.6090 -7.6090 -7.0052 -7.0052 -6.9259 -6.9259 -3.6146 -3.6146 -2.7966 -2.7966 -0.0420 -0.0420 0.3959 0.3959 0.8468 0.8468 1.4594 1.4594 1.8714 1.8714 2.1411 2.1411 2.1660 2.1660 2.9696 2.9696 3.4264 3.4264 3.5073 3.5073 4.2121 4.2121 4.4262 4.4262 7.3107 7.3107 8.0052 8.0052 8.5173 8.5173 8.7120 8.7120 k = 0.2119 0.2093-0.1081 ( 20434 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.7548 -8.7548 -7.6427 -7.6427 -7.0096 -7.0096 -6.9303 -6.9303 -3.6253 -3.6253 -2.8704 -2.8704 0.0080 0.0080 0.4430 0.4430 0.9263 0.9263 1.5063 1.5063 1.8672 1.8672 2.1492 2.1492 2.1619 2.1619 2.9928 2.9928 3.4148 3.4148 3.5164 3.5164 4.1922 4.1922 4.4468 4.4468 7.3384 7.3384 7.9447 7.9447 8.3915 8.3915 8.5836 8.5836 k = 0.2236 0.2209-0.1141 ( 20438 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.7208 -8.7208 -7.6765 -7.6765 -7.0140 -7.0140 -6.9359 -6.9359 -3.6351 -3.6351 -2.9452 -2.9452 0.0603 0.0603 0.4934 0.4934 1.0081 1.0081 1.5459 1.5459 1.8150 1.8150 2.1550 2.1550 2.2194 2.2194 3.0165 3.0165 3.4040 3.4040 3.5255 3.5255 4.1702 4.1702 4.4664 4.4664 7.3653 7.3653 7.8797 7.8797 8.2691 8.2691 8.4578 8.4578 k = 0.2354 0.2326-0.1201 ( 20438 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.6851 -8.6851 -7.7103 -7.7103 -7.0183 -7.0183 -6.9427 -6.9427 -3.6439 -3.6439 -3.0209 -3.0209 0.1151 0.1151 0.5467 0.5467 1.0917 1.0917 1.5743 1.5743 1.7482 1.7482 2.1691 2.1691 2.2976 2.2976 3.0402 3.0402 3.3952 3.3952 3.5343 3.5343 4.1471 4.1471 4.4847 4.4847 7.3890 7.3890 7.8097 7.8097 8.1517 8.1517 8.3368 8.3368 k = 0.2472 0.2442-0.1261 ( 20433 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.6479 -8.6479 -7.7440 -7.7440 -7.0225 -7.0225 -6.9506 -6.9506 -3.6516 -3.6516 -3.0971 -3.0971 0.1719 0.1719 0.6023 0.6023 1.1768 1.1768 1.5808 1.5808 1.6895 1.6895 2.1969 2.1969 2.3780 2.3780 3.0635 3.0635 3.3894 3.3894 3.5426 3.5426 4.1240 4.1240 4.5020 4.5020 7.4043 7.4043 7.7362 7.7362 8.0404 8.0404 8.2236 8.2236 k = 0.2589 0.2558-0.1321 ( 20440 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.6091 -8.6091 -7.7777 -7.7777 -7.0266 -7.0266 -6.9596 -6.9596 -3.6581 -3.6581 -3.1737 -3.1737 0.2308 0.2308 0.6599 0.6599 1.2624 1.2624 1.5447 1.5447 1.6648 1.6648 2.2384 2.2384 2.4544 2.4544 3.0857 3.0857 3.3883 3.3883 3.5502 3.5502 4.1023 4.1023 4.5182 4.5182 7.4011 7.4011 7.6653 7.6653 7.9361 7.9361 8.1217 8.1217 k = 0.2707 0.2675-0.1381 ( 20427 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.5688 -8.5688 -7.8111 -7.8111 -7.0305 -7.0305 -6.9696 -6.9696 -3.6632 -3.6632 -3.2506 -3.2506 0.2914 0.2914 0.7188 0.7188 1.3475 1.3475 1.4807 1.4807 1.6640 1.6640 2.2921 2.2921 2.5233 2.5233 3.1059 3.1059 3.3933 3.3933 3.5570 3.5570 4.0834 4.0834 4.5334 4.5334 7.3640 7.3640 7.6058 7.6058 7.8421 7.8421 8.0347 8.0347 k = 0.2825 0.2791-0.1441 ( 20425 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.5271 -8.5271 -7.8444 -7.8444 -7.0343 -7.0343 -6.9805 -6.9805 -3.6669 -3.6669 -3.3275 -3.3275 0.3536 0.3536 0.7779 0.7779 1.4059 1.4059 1.4361 1.4361 1.6691 1.6691 2.3558 2.3558 2.5819 2.5819 3.1231 3.1231 3.4062 3.4062 3.5628 3.5628 4.0690 4.0690 4.5478 4.5478 7.2885 7.2885 7.5494 7.5494 7.7694 7.7694 7.9651 7.9651 k = 0.2942 0.2907-0.1501 ( 20414 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.4841 -8.4841 -7.8773 -7.8773 -7.0379 -7.0379 -6.9923 -6.9923 -3.6691 -3.6691 -3.4044 -3.4044 0.4169 0.4169 0.8356 0.8356 1.3423 1.3423 1.5098 1.5098 1.6802 1.6802 2.4272 2.4272 2.6282 2.6282 3.1366 3.1366 3.4275 3.4275 3.5675 3.5675 4.0607 4.0607 4.5614 4.5614 7.1880 7.1880 7.4723 7.4723 7.7265 7.7265 7.9152 7.9152 k = 0.3060 0.3023-0.1561 ( 20414 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.4396 -8.4396 -7.9099 -7.9099 -7.0412 -7.0412 -7.0048 -7.0048 -3.6698 -3.6698 -3.4810 -3.4810 0.4810 0.4810 0.8887 0.8887 1.2824 1.2824 1.5709 1.5709 1.7073 1.7073 2.5042 2.5042 2.6613 2.6613 3.1461 3.1461 3.4565 3.4565 3.5711 3.5711 4.0608 4.0608 4.5746 4.5746 7.0750 7.0750 7.3736 7.3736 7.6984 7.6984 7.8883 7.8883 k = 0.3178 0.3140-0.1621 ( 20442 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.3940 -8.3940 -7.9421 -7.9421 -7.0445 -7.0445 -7.0178 -7.0178 -3.6687 -3.6687 -3.5572 -3.5572 0.5455 0.5455 0.9302 0.9302 1.2369 1.2369 1.6061 1.6061 1.7608 1.7608 2.5840 2.5840 2.6823 2.6823 3.1516 3.1516 3.4909 3.4909 3.5735 3.5735 4.0711 4.0711 4.5873 4.5873 6.9564 6.9564 7.2646 7.2646 7.6675 7.6675 7.8841 7.8841 k = 0.3296 0.3256-0.1681 ( 20458 PWs) bands (ev): -40.7515 -40.7515 -40.7512 -40.7512 -8.3472 -8.3472 -7.9739 -7.9739 -7.0479 -7.0479 -7.0311 -7.0311 -3.6660 -3.6660 -3.6329 -3.6329 0.6098 0.6098 0.9477 0.9477 1.2183 1.2183 1.6244 1.6244 1.8325 1.8325 2.6543 2.6543 2.7033 2.7033 3.1536 3.1536 3.5273 3.5273 3.5748 3.5748 4.0934 4.0934 4.5996 4.5996 6.8359 6.8359 7.1521 7.1521 7.6305 7.6305 7.8951 7.8951 k = 0.3413 0.3372-0.1741 ( 20448 PWs) bands (ev): -40.7515 -40.7515 -40.7512 -40.7512 -8.2992 -8.2992 -8.0053 -8.0053 -7.0529 -7.0529 -7.0430 -7.0430 -3.7079 -3.7079 -3.6615 -3.6615 0.6732 0.6732 0.9330 0.9330 1.2348 1.2348 1.6382 1.6382 1.9101 1.9101 2.6690 2.6690 2.7707 2.7707 3.1521 3.1521 3.5600 3.5600 3.5781 3.5781 4.1285 4.1285 4.6116 4.6116 6.7157 6.7157 7.0395 7.0395 7.5898 7.5898 7.9112 7.9112 k = 0.3531 0.3489-0.1801 ( 20436 PWs) bands (ev): -40.7515 -40.7515 -40.7512 -40.7512 -8.2503 -8.2503 -8.0361 -8.0361 -7.0638 -7.0638 -7.0492 -7.0492 -3.7820 -3.7820 -3.6552 -3.6552 0.7346 0.7346 0.8960 0.8960 1.2768 1.2768 1.6535 1.6535 1.9883 1.9883 2.6562 2.6562 2.8568 2.8568 3.1474 3.1474 3.5685 3.5685 3.6020 3.6020 4.1761 4.1761 4.6233 4.6233 6.5976 6.5976 6.9287 6.9287 7.5475 7.5475 7.9182 7.9182 k = 0.3649 0.3605-0.1861 ( 20440 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.2005 -8.2005 -8.0664 -8.0664 -7.0781 -7.0781 -7.0521 -7.0521 -3.8551 -3.8551 -3.6471 -3.6471 0.7901 0.7901 0.8527 0.8527 1.3312 1.3312 1.6728 1.6728 2.0647 2.0647 2.6330 2.6330 2.9454 2.9454 3.1399 3.1399 3.5665 3.5665 3.6324 3.6324 4.2346 4.2346 4.6343 4.6343 6.4831 6.4831 6.8207 6.8207 7.5044 7.5044 7.8873 7.8873 k = 0.3766 0.3721-0.1921 ( 20432 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.1500 -8.1500 -8.0959 -8.0959 -7.0932 -7.0932 -7.0541 -7.0541 -3.9270 -3.9270 -3.6372 -3.6372 0.7876 0.7876 0.8613 0.8613 1.3907 1.3907 1.6977 1.6977 2.1379 2.1379 2.6021 2.6021 3.0328 3.0328 3.1305 3.1305 3.5630 3.5630 3.6610 3.6610 4.3013 4.3013 4.6444 4.6444 6.3740 6.3740 6.7165 6.7165 7.4607 7.4607 7.8127 7.8127 k = 0.3884 0.3837-0.1981 ( 20428 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.1258 -8.1258 -8.0979 -8.0979 -7.1086 -7.1086 -7.0558 -7.0558 -3.9976 -3.9976 -3.6255 -3.6255 0.7397 0.7397 0.9116 0.9116 1.4520 1.4520 1.7291 1.7291 2.2069 2.2069 2.5650 2.5650 3.1014 3.1014 3.1354 3.1354 3.5596 3.5596 3.6876 3.6876 4.3735 4.3735 4.6530 4.6530 6.2721 6.2721 6.6167 6.6167 7.4163 7.4163 7.7245 7.7245 k = 0.4002 0.3954-0.2041 ( 20423 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.1540 -8.1540 -8.0464 -8.0464 -7.1240 -7.1240 -7.0572 -7.0572 -4.0665 -4.0665 -3.6119 -3.6119 0.6903 0.6903 0.9607 0.9607 1.5134 1.5134 1.7678 1.7678 2.2711 2.2711 2.5226 2.5226 3.0966 3.0966 3.2069 3.2069 3.5583 3.5583 3.7126 3.7126 4.4474 4.4474 4.6601 4.6601 6.1796 6.1796 6.5219 6.5219 7.3712 7.3712 7.6358 7.6358 k = 0.4119 0.4070-0.2102 ( 20436 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.1818 -8.1818 -7.9941 -7.9941 -7.1395 -7.1395 -7.0585 -7.0585 -4.1337 -4.1337 -3.5964 -3.5964 0.6423 0.6423 1.0061 1.0061 1.5737 1.5737 1.8137 1.8137 2.3296 2.3296 2.4758 2.4758 3.0809 3.0809 3.2780 3.2780 3.5633 3.5633 3.7364 3.7364 4.5176 4.5176 4.6675 4.6675 6.0990 6.0990 6.4324 6.4324 7.3252 7.3252 7.5505 7.5505 k = 0.4237 0.4186-0.2162 ( 20446 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.2090 -8.2090 -7.9415 -7.9415 -7.1548 -7.1548 -7.0596 -7.0596 -4.1989 -4.1989 -3.5791 -3.5791 0.5965 0.5965 1.0475 1.0475 1.6323 1.6323 1.8668 1.8668 2.3811 2.3811 2.4259 2.4259 3.0632 3.0632 3.3323 3.3323 3.5815 3.5815 3.7589 3.7589 4.5695 4.5695 4.6859 4.6859 6.0328 6.0328 6.3485 6.3485 7.2789 7.2789 7.4702 7.4702 k = 0.4355 0.4303-0.2222 ( 20453 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.2355 -8.2355 -7.8888 -7.8888 -7.1699 -7.1699 -7.0606 -7.0606 -4.2617 -4.2617 -3.5600 -3.5600 0.5533 0.5533 1.0850 1.0850 1.6887 1.6887 1.9262 1.9262 2.3684 2.3684 2.4303 2.4303 3.0444 3.0444 3.3617 3.3617 3.6196 3.6196 3.7802 3.7802 4.5824 4.5824 4.7329 4.7329 5.9836 5.9836 6.2706 6.2706 7.2328 7.2328 7.3958 7.3958 k = 0.4473 0.4419-0.2282 ( 20450 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.2613 -8.2613 -7.8361 -7.8361 -7.1846 -7.1846 -7.0617 -7.0617 -4.3220 -4.3220 -3.5392 -3.5392 0.5128 0.5128 1.1192 1.1192 1.7421 1.7421 1.9912 1.9912 2.3115 2.3115 2.4692 2.4692 3.0249 3.0249 3.3681 3.3681 3.6744 3.6744 3.8002 3.8002 4.5646 4.5646 4.7976 4.7976 5.9531 5.9531 6.1988 6.1988 7.1879 7.1879 7.3282 7.3282 k = 0.4590 0.4535-0.2342 ( 20458 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.2863 -8.2863 -7.7837 -7.7837 -7.1989 -7.1989 -7.0630 -7.0630 -4.3795 -4.3795 -3.5165 -3.5165 0.4751 0.4751 1.1508 1.1508 1.7920 1.7920 2.0599 2.0599 2.2523 2.2523 2.5021 2.5021 3.0047 3.0047 3.3593 3.3593 3.7365 3.7365 3.8186 3.8186 4.5296 4.5296 4.8654 4.8654 5.9416 5.9416 6.1339 6.1339 7.1451 7.1451 7.2688 7.2688 k = 0.4708 0.4652-0.2402 ( 20437 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.3107 -8.3107 -7.7317 -7.7317 -7.2127 -7.2127 -7.0644 -7.0644 -4.4337 -4.4337 -3.4921 -3.4921 0.4404 0.4404 1.1803 1.1803 1.8378 1.8378 2.1247 2.1247 2.1983 2.1983 2.5286 2.5286 2.9840 2.9840 3.3415 3.3415 3.7976 3.7976 3.8355 3.8355 4.4833 4.4833 4.9307 4.9307 5.9470 5.9470 6.0778 6.0778 7.1043 7.1043 7.2201 7.2201 k = 0.4826 0.4768-0.2462 ( 20458 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.3342 -8.3342 -7.6804 -7.6804 -7.2259 -7.2259 -7.0662 -7.0662 -4.4845 -4.4845 -3.4660 -3.4660 0.4085 0.4085 1.2085 1.2085 1.8780 1.8780 2.1117 2.1117 2.2230 2.2230 2.5492 2.5492 2.9630 2.9630 3.3177 3.3177 3.8481 3.8481 3.8541 3.8541 4.4307 4.4307 4.9908 4.9908 5.9588 5.9588 6.0400 6.0400 7.0654 7.0654 7.1844 7.1844 k = 0.4943 0.4884-0.2522 ( 20447 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3571 -8.3571 -7.6299 -7.6299 -7.2384 -7.2384 -7.0686 -7.0686 -4.5314 -4.5314 -3.4383 -3.4383 0.3797 0.3797 1.2358 1.2358 1.9089 1.9089 2.0543 2.0543 2.2951 2.2951 2.5653 2.5653 2.9416 2.9416 3.2893 3.2893 3.8627 3.8627 3.8937 3.8937 4.3777 4.3777 5.0434 5.0434 5.9478 5.9478 6.0488 6.0488 7.0287 7.0287 7.1632 7.1632 k = 0.5061 0.5000-0.2582 ( 20448 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3791 -8.3791 -7.5805 -7.5805 -7.2501 -7.2501 -7.0716 -7.0716 -4.5740 -4.5740 -3.4089 -3.4089 0.3538 0.3538 1.2627 1.2627 1.9129 1.9129 2.0139 2.0139 2.3669 2.3669 2.5797 2.5797 2.9198 2.9198 3.2570 3.2570 3.8737 3.8737 3.9148 3.9148 4.3324 4.3324 5.0857 5.0857 5.9222 5.9222 6.0958 6.0958 6.9959 6.9959 7.1554 7.1554 k = 0.5061 0.5000-0.2582 ( 20448 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3791 -8.3791 -7.5805 -7.5805 -7.2501 -7.2501 -7.0716 -7.0716 -4.5740 -4.5740 -3.4089 -3.4089 0.3538 0.3538 1.2627 1.2627 1.9129 1.9129 2.0139 2.0139 2.3669 2.3669 2.5797 2.5797 2.9198 2.9198 3.2570 3.2570 3.8737 3.8737 3.9148 3.9148 4.3324 4.3324 5.0857 5.0857 5.9222 5.9222 6.0958 6.0958 6.9959 6.9959 7.1554 7.1554 k = 0.5134 0.5072-0.2443 ( 20446 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3779 -8.3779 -7.5793 -7.5793 -7.2530 -7.2530 -7.0757 -7.0757 -4.5611 -4.5611 -3.4119 -3.4119 0.3499 0.3499 1.2675 1.2675 1.9292 1.9292 2.0243 2.0243 2.3314 2.3314 2.5578 2.5578 2.8843 2.8843 3.3032 3.3032 3.8703 3.8703 3.9135 3.9135 4.3316 4.3316 5.0819 5.0819 5.9070 5.9070 6.1178 6.1178 6.9645 6.9645 7.1922 7.1922 k = 0.5206 0.5144-0.2304 ( 20440 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3774 -8.3774 -7.5786 -7.5786 -7.2556 -7.2556 -7.0792 -7.0792 -4.5468 -4.5468 -3.4142 -3.4142 0.3470 0.3470 1.2767 1.2767 1.9284 1.9284 2.0381 2.0381 2.2943 2.2943 2.5337 2.5337 2.8605 2.8605 3.3449 3.3449 3.8640 3.8640 3.9069 3.9069 4.3333 4.3333 5.0753 5.0753 5.8958 5.8958 6.1452 6.1452 6.9375 6.9375 7.2333 7.2333 k = 0.5279 0.5216-0.2165 ( 20450 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3776 -8.3776 -7.5784 -7.5784 -7.2578 -7.2578 -7.0818 -7.0818 -4.5312 -4.5312 -3.4158 -3.4158 0.3451 0.3451 1.2902 1.2902 1.9164 1.9164 2.0473 2.0473 2.2560 2.2560 2.5072 2.5072 2.8507 2.8507 3.3812 3.3812 3.8546 3.8546 3.8956 3.8956 4.3372 4.3372 5.0653 5.0653 5.8902 5.8902 6.1774 6.1774 6.9163 6.9163 7.2775 7.2775 k = 0.5351 0.5287-0.2026 ( 20436 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3784 -8.3784 -7.5790 -7.5790 -7.2596 -7.2596 -7.0835 -7.0835 -4.5141 -4.5141 -3.4168 -3.4168 0.3442 0.3442 1.3080 1.3080 1.8972 1.8972 2.0475 2.0475 2.2168 2.2168 2.4784 2.4784 2.8560 2.8560 3.4114 3.4114 3.8417 3.8417 3.8804 3.8804 4.3429 4.3429 5.0518 5.0518 5.8911 5.8911 6.2136 6.2136 6.9020 6.9020 7.3234 7.3234 k = 0.5424 0.5359-0.1887 ( 20431 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3799 -8.3799 -7.5803 -7.5803 -7.2609 -7.2609 -7.0843 -7.0843 -4.4957 -4.4957 -3.4174 -3.4174 0.3441 0.3441 1.3297 1.3297 1.8724 1.8724 2.0385 2.0385 2.1770 2.1770 2.4474 2.4474 2.8756 2.8756 3.4348 3.4348 3.8251 3.8251 3.8620 3.8620 4.3501 4.3501 5.0347 5.0347 5.8994 5.8994 6.2534 6.2534 6.8953 6.8953 7.3691 7.3691 k = 0.5497 0.5431-0.1748 ( 20437 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3821 -8.3821 -7.5826 -7.5826 -7.2614 -7.2614 -7.0840 -7.0840 -4.4760 -4.4760 -3.4176 -3.4176 0.3447 0.3447 1.3551 1.3551 1.8428 1.8428 2.0217 2.0217 2.1370 2.1370 2.4143 2.4143 2.9073 2.9073 3.4510 3.4510 3.8047 3.8047 3.8411 3.8411 4.3584 4.3584 5.0144 5.0144 5.9150 5.9150 6.2962 6.2962 6.8966 6.8966 7.4129 7.4129 k = 0.5569 0.5502-0.1609 ( 20439 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3851 -8.3851 -7.5858 -7.5858 -7.2611 -7.2611 -7.0826 -7.0826 -4.4549 -4.4549 -3.4175 -3.4175 0.3459 0.3459 1.3839 1.3839 1.8091 1.8091 1.9996 1.9996 2.0972 2.0972 2.3795 2.3795 2.9481 2.9481 3.4598 3.4598 3.7801 3.7801 3.8181 3.8181 4.3675 4.3675 4.9917 4.9917 5.9380 5.9380 6.3417 6.3417 6.9060 6.9060 7.4530 7.4530 k = 0.5642 0.5574-0.1471 ( 20440 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3888 -8.3888 -7.5900 -7.5900 -7.2599 -7.2599 -7.0802 -7.0802 -4.4325 -4.4325 -3.4170 -3.4170 0.3475 0.3475 1.4152 1.4152 1.7723 1.7723 1.9742 1.9742 2.0582 2.0582 2.3432 2.3432 2.9953 2.9953 3.4612 3.4612 3.7514 3.7514 3.7932 3.7932 4.3770 4.3770 4.9676 4.9676 5.9677 5.9677 6.3896 6.3896 6.9234 6.9234 7.4889 7.4889 k = 0.5714 0.5646-0.1332 ( 20441 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.3933 -8.3933 -7.5951 -7.5951 -7.2577 -7.2577 -7.0769 -7.0769 -4.4088 -4.4088 -3.4164 -3.4164 0.3494 0.3494 1.4483 1.4483 1.7335 1.7335 1.9468 1.9468 2.0204 2.0204 2.3061 2.3061 3.0464 3.0464 3.4557 3.4557 3.7183 3.7183 3.7668 3.7668 4.3866 4.3866 4.9429 4.9429 6.0037 6.0037 6.4395 6.4395 6.9482 6.9482 7.5214 7.5214 k = 0.5787 0.5718-0.1193 ( 20450 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.3984 -8.3984 -7.6012 -7.6012 -7.2546 -7.2546 -7.0725 -7.0725 -4.3838 -4.3838 -3.4154 -3.4154 0.3512 0.3512 1.4817 1.4817 1.6941 1.6941 1.9184 1.9184 1.9844 1.9844 2.2689 2.2689 3.0992 3.0992 3.4437 3.4437 3.6808 3.6808 3.7391 3.7391 4.3959 4.3959 4.9187 4.9187 6.0453 6.0453 6.4913 6.4913 6.9797 6.9797 7.5518 7.5518 k = 0.5860 0.5789-0.1054 ( 20450 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4043 -8.4043 -7.6083 -7.6083 -7.2504 -7.2504 -7.0674 -7.0674 -4.3576 -4.3576 -3.4143 -3.4143 0.3529 0.3529 1.5134 1.5134 1.6553 1.6553 1.8898 1.8898 1.9507 1.9507 2.2331 2.2331 3.1521 3.1521 3.4259 3.4259 3.6390 3.6390 3.7104 3.7104 4.4043 4.4043 4.8957 4.8957 6.0917 6.0917 6.5450 6.5450 7.0168 7.0168 7.5816 7.5816 k = 0.5932 0.5861-0.0915 ( 20436 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4107 -8.4107 -7.6163 -7.6163 -7.2451 -7.2451 -7.0615 -7.0615 -4.3302 -4.3302 -3.4129 -3.4129 0.3542 0.3542 1.5401 1.5401 1.6187 1.6187 1.8617 1.8617 1.9197 1.9197 2.2003 2.2003 3.2031 3.2031 3.4030 3.4030 3.5934 3.5934 3.6811 3.6811 4.4115 4.4115 4.8745 4.8745 6.1425 6.1425 6.6003 6.6003 7.0583 7.0583 7.6118 7.6118 k = 0.6005 0.5933-0.0776 ( 20436 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4178 -8.4178 -7.6250 -7.6250 -7.2388 -7.2388 -7.0550 -7.0550 -4.3016 -4.3016 -3.4112 -3.4112 0.3549 0.3549 1.5554 1.5554 1.5882 1.5882 1.8346 1.8346 1.8920 1.8920 2.1736 2.1736 3.2500 3.2500 3.3762 3.3762 3.5450 3.5450 3.6516 3.6516 4.4168 4.4168 4.8555 4.8555 6.1970 6.1970 6.6572 6.6572 7.1029 7.1029 7.6435 7.6435 k = 0.6077 0.6005-0.0637 ( 20450 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4253 -8.4253 -7.6345 -7.6345 -7.2315 -7.2315 -7.0480 -7.0480 -4.2718 -4.2718 -3.4092 -3.4092 0.3548 0.3548 1.5435 1.5435 1.5761 1.5761 1.8087 1.8087 1.8674 1.8674 2.1569 2.1569 3.2863 3.2863 3.3491 3.3491 3.4965 3.4965 3.6222 3.6222 4.4199 4.4199 4.8388 4.8388 6.2548 6.2548 6.7156 6.7156 7.1492 7.1492 7.6768 7.6768 k = 0.6150 0.6076-0.0498 ( 20445 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4332 -8.4332 -7.6447 -7.6447 -7.2231 -7.2231 -7.0407 -7.0407 -4.2408 -4.2408 -3.4069 -3.4069 0.3538 0.3538 1.5190 1.5190 1.5668 1.5668 1.7831 1.7831 1.8445 1.8445 2.1544 2.1544 3.2875 3.2875 3.3377 3.3377 3.4569 3.4569 3.5932 3.5932 4.4203 4.4203 4.8243 4.8243 6.3156 6.3156 6.7753 6.7753 7.1960 7.1960 7.7112 7.7112 k = 0.6223 0.6148-0.0359 ( 20437 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4415 -8.4415 -7.6554 -7.6554 -7.2138 -7.2138 -7.0333 -7.0333 -4.2088 -4.2088 -3.4042 -3.4042 0.3518 0.3518 1.4963 1.4963 1.5468 1.5468 1.7571 1.7571 1.8205 1.8205 2.1689 2.1689 3.2535 3.2535 3.3210 3.3210 3.4478 3.4478 3.5650 3.5650 4.4178 4.4178 4.8117 4.8117 6.3788 6.3788 6.8360 6.8360 7.2422 7.2422 7.7441 7.7441 k = 0.6295 0.6220-0.0220 ( 20419 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4500 -8.4500 -7.6667 -7.6667 -7.2036 -7.2036 -7.0258 -7.0258 -4.1756 -4.1756 -3.4011 -3.4011 0.3490 0.3490 1.4762 1.4762 1.5185 1.5185 1.7305 1.7305 1.7935 1.7935 2.1996 2.1996 3.2083 3.2083 3.2779 3.2779 3.4669 3.4669 3.5378 3.5378 4.4121 4.4121 4.8005 4.8005 6.4442 6.4442 6.8975 6.8975 7.2872 7.2872 7.7702 7.7702 k = 0.6368 0.6291-0.0081 ( 20402 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4587 -8.4587 -7.6784 -7.6784 -7.1926 -7.1926 -7.0184 -7.0184 -4.1413 -4.1413 -3.3975 -3.3975 0.3452 0.3452 1.4529 1.4529 1.4903 1.4903 1.7036 1.7036 1.7638 1.7638 2.2431 2.2431 3.1548 3.1548 3.2280 3.2280 3.4916 3.4916 3.5129 3.5129 4.4029 4.4029 4.7902 4.7902 6.5116 6.5116 6.9593 6.9593 7.3308 7.3308 7.7840 7.7840 k = 0.6440 0.6363 0.0058 ( 20406 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4674 -8.4674 -7.6905 -7.6905 -7.1809 -7.1809 -7.0113 -7.0113 -4.1059 -4.1059 -3.3933 -3.3933 0.3409 0.3409 1.4157 1.4157 1.4749 1.4749 1.6765 1.6765 1.7326 1.7326 2.2955 2.2955 3.0931 3.0931 3.1805 3.1805 3.4839 3.4839 3.5207 3.5207 4.3903 4.3903 4.7801 4.7801 6.5806 6.5806 7.0212 7.0212 7.3728 7.3728 7.7855 7.7855 k = 0.6440 0.6363 0.0058 ( 20406 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4674 -8.4674 -7.6905 -7.6905 -7.1809 -7.1809 -7.0113 -7.0113 -4.1059 -4.1059 -3.3933 -3.3933 0.3409 0.3409 1.4157 1.4157 1.4749 1.4749 1.6765 1.6765 1.7326 1.7326 2.2955 2.2955 3.0931 3.0931 3.1805 3.1805 3.4839 3.4839 3.5207 3.5207 4.3903 4.3903 4.7801 4.7801 6.5806 6.5806 7.0212 7.0212 7.3728 7.3728 7.7855 7.7855 k = 0.6364 0.6288 0.0201 ( 20414 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4313 -8.4313 -7.7353 -7.7353 -7.1737 -7.1737 -7.0196 -7.0196 -4.0721 -4.0721 -3.4570 -3.4570 0.4010 0.4010 1.4095 1.4095 1.4702 1.4702 1.6431 1.6431 1.7553 1.7553 2.3205 2.3205 3.1251 3.1251 3.2098 3.2098 3.5250 3.5250 3.5507 3.5507 4.3696 4.3696 4.7959 4.7959 6.5040 6.5040 6.9494 6.9494 7.4096 7.4096 7.7260 7.7260 k = 0.6287 0.6212 0.0344 ( 20414 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.3935 -8.3935 -7.7797 -7.7797 -7.1663 -7.1663 -7.0293 -7.0293 -4.0367 -4.0367 -3.5213 -3.5213 0.4649 0.4649 1.3727 1.3727 1.4626 1.4626 1.6019 1.6019 1.8235 1.8235 2.3440 2.3440 3.1576 3.1576 3.2302 3.2302 3.5656 3.5656 3.5816 3.5816 4.3504 4.3504 4.8086 4.8086 6.4277 6.4277 6.8743 6.8743 7.4560 7.4560 7.6685 7.6685 k = 0.6211 0.6136 0.0488 ( 20411 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.3540 -8.3540 -7.8238 -7.8238 -7.1586 -7.1586 -7.0401 -7.0401 -4.0000 -4.0000 -3.5862 -3.5862 0.5321 0.5321 1.3067 1.3067 1.4544 1.4544 1.5931 1.5931 1.8941 1.8941 2.3660 2.3660 3.1909 3.1909 3.2419 3.2419 3.5944 3.5944 3.6211 3.6211 4.3362 4.3362 4.8180 4.8180 6.3527 6.3527 6.7987 6.7987 7.5018 7.5018 7.6183 7.6183 k = 0.6134 0.6060 0.0631 ( 20411 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.3129 -8.3129 -7.8672 -7.8672 -7.1508 -7.1508 -7.0519 -7.0519 -3.9623 -3.9623 -3.6514 -3.6514 0.6017 0.6017 1.2263 1.2263 1.4486 1.4486 1.6028 1.6028 1.9638 1.9638 2.3861 2.3861 3.2197 3.2197 3.2505 3.2505 3.6151 3.6151 3.6612 3.6612 4.3311 4.3311 4.8237 4.8237 6.2801 6.2801 6.7240 6.7240 7.5129 7.5129 7.6045 7.6045 k = 0.6057 0.5985 0.0775 ( 20420 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.2702 -8.2702 -7.9100 -7.9100 -7.1429 -7.1429 -7.0646 -7.0646 -3.9239 -3.9239 -3.7171 -3.7171 0.6728 0.6728 1.1419 1.1419 1.4471 1.4471 1.6208 1.6208 2.0312 2.0312 2.4039 2.4039 3.2230 3.2230 3.2775 3.2775 3.6312 3.6312 3.6954 3.6954 4.3382 4.3382 4.8255 4.8255 6.2108 6.2108 6.6509 6.6509 7.4731 7.4731 7.6327 7.6327 k = 0.5981 0.5909 0.0918 ( 20416 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.2262 -8.2262 -7.9520 -7.9520 -7.1350 -7.1350 -7.0778 -7.0778 -3.8851 -3.8851 -3.7829 -3.7829 0.7438 0.7438 1.0581 1.0581 1.4515 1.4515 1.6429 1.6429 2.0956 2.0956 2.4189 2.4189 3.2075 3.2075 3.3166 3.3166 3.6429 3.6429 3.7219 3.7219 4.3590 4.3590 4.8230 4.8230 6.1459 6.1459 6.5799 6.5799 7.4233 7.4233 7.6396 7.6396 k = 0.5904 0.5833 0.1062 ( 20411 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.1808 -8.1808 -7.9930 -7.9930 -7.1272 -7.1272 -7.0914 -7.0914 -3.8490 -3.8490 -3.8458 -3.8458 0.8128 0.8128 0.9773 0.9773 1.4637 1.4637 1.6672 1.6672 2.1564 2.1564 2.4303 2.4303 3.1823 3.1823 3.3590 3.3590 3.6504 3.6504 3.7412 3.7412 4.3931 4.3931 4.8160 4.8160 6.0864 6.0864 6.5113 6.5113 7.3737 7.3737 7.6116 7.6116 k = 0.5827 0.5758 0.1205 ( 20432 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.1341 -8.1341 -8.0330 -8.0330 -7.1200 -7.1200 -7.1048 -7.1048 -3.9150 -3.9150 -3.8066 -3.8066 0.8703 0.8703 0.9080 0.9080 1.4854 1.4854 1.6928 1.6928 2.2132 2.2132 2.4371 2.4371 3.1502 3.1502 3.4027 3.4027 3.6535 3.6535 3.7553 3.7553 4.4379 4.4379 4.8042 4.8042 6.0335 6.0335 6.4454 6.4454 7.3262 7.3262 7.5693 7.5693 k = 0.5751 0.5682 0.1349 ( 20424 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.0868 -8.0868 -8.0713 -8.0713 -7.1217 -7.1217 -7.1098 -7.1098 -3.9809 -3.9809 -3.7673 -3.7673 0.8212 0.8212 0.9437 0.9437 1.5188 1.5188 1.7194 1.7194 2.2658 2.2658 2.4380 2.4380 3.1139 3.1139 3.4461 3.4461 3.6530 3.6530 3.7664 3.7664 4.4902 4.4902 4.7875 4.7875 5.9884 5.9884 6.3824 6.3824 7.2816 7.2816 7.5229 7.5229 k = 0.5674 0.5606 0.1492 ( 20427 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.1096 -8.1096 -8.0373 -8.0373 -7.1350 -7.1350 -7.1035 -7.1035 -4.0465 -4.0465 -3.7283 -3.7283 0.7530 0.7530 0.9954 0.9954 1.5652 1.5652 1.7465 1.7465 2.3141 2.3141 2.4315 2.4315 3.0762 3.0762 3.4862 3.4862 3.6509 3.6509 3.7761 3.7761 4.5464 4.5464 4.7666 4.7666 5.9523 5.9523 6.3224 6.3224 7.2403 7.2403 7.4759 7.4759 k = 0.5598 0.5530 0.1635 ( 20433 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.1458 -8.1458 -7.9877 -7.9877 -7.1490 -7.1490 -7.0967 -7.0967 -4.1116 -4.1116 -3.6897 -3.6897 0.6888 0.6888 1.0399 1.0399 1.6247 1.6247 1.7742 1.7742 2.3579 2.3579 2.4161 2.4161 3.0400 3.0400 3.5164 3.5164 3.6531 3.6531 3.7855 3.7855 4.6005 4.6005 4.7446 4.7446 5.9259 5.9259 6.2656 6.2656 7.2024 7.2024 7.4296 7.4296 k = 0.5521 0.5455 0.1779 ( 20436 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.1806 -8.1806 -7.9373 -7.9373 -7.1630 -7.1630 -7.0904 -7.0904 -4.1760 -4.1760 -3.6515 -3.6515 0.6293 0.6293 1.0770 1.0770 1.6955 1.6955 1.8029 1.8029 2.3888 2.3888 2.3992 2.3992 3.0082 3.0082 3.5264 3.5264 3.6691 3.6691 3.7953 3.7953 4.6353 4.6353 4.7372 4.7372 5.9100 5.9100 6.2123 6.2123 7.1679 7.1679 7.3846 7.3846 k = 0.5444 0.5379 0.1922 ( 20445 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.2140 -8.2140 -7.8864 -7.8864 -7.1767 -7.1767 -7.0845 -7.0845 -4.2394 -4.2394 -3.6140 -3.6140 0.5748 0.5748 1.1084 1.1084 1.7711 1.7711 1.8366 1.8366 2.3535 2.3535 2.4337 2.4337 2.9826 2.9826 3.5135 3.5135 3.7010 3.7010 3.8056 3.8056 4.6234 4.6234 4.7707 4.7707 5.9047 5.9047 6.1627 6.1627 7.1370 7.1370 7.3414 7.3414 k = 0.5368 0.5303 0.2066 ( 20461 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.2459 -8.2459 -7.8351 -7.8351 -7.1901 -7.1901 -7.0794 -7.0794 -4.3015 -4.3015 -3.5771 -3.5771 0.5255 0.5255 1.1359 1.1359 1.8286 1.8286 1.8954 1.8954 2.3071 2.3071 2.4654 2.4654 2.9638 2.9638 3.4849 3.4849 3.7410 3.7410 3.8164 3.8164 4.5847 4.5847 4.8247 4.8247 5.9095 5.9095 6.1174 6.1174 7.1095 7.1095 7.3003 7.3003 k = 0.5291 0.5228 0.2209 ( 20461 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.2761 -8.2761 -7.7837 -7.7837 -7.2030 -7.2030 -7.0751 -7.0751 -4.3621 -4.3621 -3.5411 -3.5411 0.4814 0.4814 1.1611 1.1611 1.8599 1.8599 1.9840 1.9840 2.2526 2.2526 2.4937 2.4937 2.9515 2.9515 3.4459 3.4459 3.7831 3.7831 3.8277 3.8277 4.5365 4.5365 4.8823 4.8823 5.9230 5.9230 6.0772 6.0772 7.0853 7.0853 7.2617 7.2617 k = 0.5214 0.5152 0.2353 ( 20451 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.3047 -8.3047 -7.7323 -7.7323 -7.2153 -7.2153 -7.0717 -7.0717 -4.4208 -4.4208 -3.5060 -3.5060 0.4426 0.4426 1.1854 1.1854 1.8826 1.8826 2.0788 2.0788 2.1952 2.1952 2.5191 2.5191 2.9447 2.9447 3.3993 3.3993 3.8239 3.8239 3.8395 3.8395 4.4840 4.4840 4.9388 4.9388 5.9419 5.9419 6.0450 6.0450 7.0643 7.0643 7.2259 7.2259 k = 0.5138 0.5076 0.2496 ( 20454 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.3315 -8.3315 -7.6814 -7.6814 -7.2270 -7.2270 -7.0695 -7.0695 -4.4771 -4.4771 -3.4718 -3.4718 0.4089 0.4089 1.2098 1.2098 1.8995 1.8995 2.1108 2.1108 2.2005 2.2005 2.5424 2.5424 2.9423 2.9423 3.3465 3.3465 3.8502 3.8502 3.8623 3.8623 4.4303 4.4303 4.9926 4.9926 5.9555 5.9555 6.0305 6.0305 7.0461 7.0461 7.1929 7.1929 k = 0.5061 0.5000 0.2639 ( 20447 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3566 -8.3566 -7.6310 -7.6310 -7.2381 -7.2381 -7.0684 -7.0684 -4.5307 -4.5307 -3.4387 -3.4387 0.3804 0.3804 1.2351 1.2351 1.9074 1.9074 2.0555 2.0555 2.2945 2.2945 2.5654 2.5654 2.9431 2.9431 3.2886 3.2886 3.8625 3.8625 3.8926 3.8926 4.3789 4.3789 5.0423 5.0423 5.9488 5.9488 6.0480 6.0480 7.0304 7.0304 7.1629 7.1629 k = 0.4984 0.4925 0.2783 ( 20454 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3800 -8.3800 -7.5817 -7.5817 -7.2483 -7.2483 -7.0686 -7.0686 -4.5811 -4.5811 -3.4067 -3.4067 0.3569 0.3569 1.2618 1.2618 1.8935 1.8935 2.0110 2.0110 2.3876 2.3876 2.5921 2.5921 2.9464 2.9464 3.2266 3.2266 3.8744 3.8744 3.9129 3.9129 4.3343 4.3343 5.0868 5.0868 5.9330 5.9330 6.0852 6.0852 7.0165 7.0165 7.1354 7.1354 k = 0.4908 0.4849 0.2926 ( 20440 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4014 -8.4014 -7.5336 -7.5336 -7.2578 -7.2578 -7.0703 -7.0703 -4.6278 -4.6278 -3.3760 -3.3760 0.3384 0.3384 1.2902 1.2902 1.8456 1.8456 1.9956 1.9956 2.4637 2.4637 2.6318 2.6318 2.9516 2.9516 3.1616 3.1616 3.8860 3.8860 3.9180 3.9180 4.3020 4.3020 5.1250 5.1250 5.9197 5.9197 6.1296 6.1296 7.0036 7.0036 7.1104 7.1104 k = 0.4831 0.4773 0.3070 ( 20437 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4211 -8.4211 -7.4874 -7.4874 -7.2663 -7.2663 -7.0735 -7.0735 -4.6703 -4.6703 -3.3464 -3.3464 0.3247 0.3247 1.3206 1.3206 1.7789 1.7789 1.9957 1.9957 2.5105 2.5105 2.6939 2.6939 2.9584 2.9584 3.0950 3.0950 3.8961 3.8961 3.9059 3.9059 4.2863 4.2863 5.1557 5.1557 5.9127 5.9127 6.1766 6.1766 6.9901 6.9901 7.0878 7.0878 k = 0.4755 0.4698 0.3213 ( 20435 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4388 -8.4388 -7.4434 -7.4434 -7.2740 -7.2740 -7.0782 -7.0782 -4.7080 -4.7080 -3.3182 -3.3182 0.3157 0.3157 1.3531 1.3531 1.7063 1.7063 1.9989 1.9989 2.5328 2.5328 2.7695 2.7695 2.9666 2.9666 3.0291 3.0291 3.8734 3.8734 3.9093 3.9093 4.2869 4.2869 5.1778 5.1778 5.9134 5.9134 6.2232 6.2232 6.9736 6.9736 7.0693 7.0693 k = 0.4678 0.4622 0.3357 ( 20443 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4546 -8.4546 -7.4025 -7.4025 -7.2806 -7.2806 -7.0842 -7.0842 -4.7405 -4.7405 -3.2914 -3.2914 0.3111 0.3111 1.3878 1.3878 1.6325 1.6325 2.0014 2.0014 2.5415 2.5415 2.8358 2.8358 2.9715 2.9715 2.9786 2.9786 3.8325 3.8325 3.9196 3.9196 4.2992 4.2992 5.1906 5.1906 5.9228 5.9228 6.2667 6.2667 6.9524 6.9524 7.0576 7.0576 k = 0.4601 0.4546 0.3500 ( 20436 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4685 -8.4685 -7.3654 -7.3654 -7.2863 -7.2863 -7.0910 -7.0910 -4.7673 -4.7673 -3.2660 -3.2660 0.3108 0.3108 1.4246 1.4246 1.5594 1.5594 2.0018 2.0018 2.5418 2.5418 2.8425 2.8425 2.9629 2.9629 2.9956 2.9956 3.7885 3.7885 3.9292 3.9292 4.3181 4.3181 5.1941 5.1941 5.9406 5.9406 6.3045 6.3045 6.9280 6.9280 7.0541 7.0541 k = 0.4525 0.4470 0.3644 ( 20432 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4804 -8.4804 -7.3337 -7.3337 -7.2908 -7.2908 -7.0977 -7.0977 -4.7878 -4.7878 -3.2421 -3.2421 0.3143 0.3143 1.4620 1.4620 1.4892 1.4892 2.0000 2.0000 2.5347 2.5347 2.7917 2.7917 2.9817 2.9817 3.0321 3.0321 3.7486 3.7486 3.9381 3.9381 4.3396 4.3396 5.1886 5.1886 5.9659 5.9659 6.3345 6.3345 6.9050 6.9050 7.0583 7.0583 k = 0.4448 0.4395 0.3787 ( 20440 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4903 -8.4903 -7.3098 -7.3098 -7.2939 -7.2939 -7.1025 -7.1025 -4.8018 -4.8018 -3.2196 -3.2196 0.3215 0.3215 1.4167 1.4167 1.5058 1.5058 1.9959 1.9959 2.5188 2.5188 2.7338 2.7338 2.9942 2.9942 3.0679 3.0679 3.7196 3.7196 3.9458 3.9458 4.3611 4.3611 5.1750 5.1750 5.9970 5.9970 6.3556 6.3556 6.8885 6.8885 7.0693 7.0693 k = 0.4371 0.4319 0.3930 ( 20439 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4982 -8.4982 -7.2996 -7.2996 -7.2922 -7.2922 -7.1033 -7.1033 -4.8089 -4.8089 -3.1988 -3.1988 0.3320 0.3320 1.3497 1.3497 1.5484 1.5484 1.9898 1.9898 2.4910 2.4910 2.6823 2.6823 3.0039 3.0039 3.0846 3.0846 3.7067 3.7067 3.9521 3.9521 4.3805 4.3805 5.1546 5.1546 6.0316 6.0316 6.3690 6.3690 6.8820 6.8820 7.0865 7.0865 k = 0.4295 0.4243 0.4074 ( 20446 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.5042 -8.5042 -7.2999 -7.2999 -7.2910 -7.2910 -7.0979 -7.0979 -4.8088 -4.8088 -3.1795 -3.1795 0.3454 0.3454 1.2853 1.2853 1.5927 1.5927 1.9820 1.9820 2.4490 2.4490 2.6422 2.6422 3.0099 3.0099 3.0800 3.0800 3.7105 3.7105 3.9570 3.9570 4.3961 4.3961 5.1285 5.1285 6.0665 6.0665 6.3795 6.3795 6.8863 6.8863 7.1092 7.1092 k = 0.4218 0.4168 0.4217 ( 20438 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.5081 -8.5081 -7.3024 -7.3024 -7.2986 -7.2986 -7.0865 -7.0865 -4.8015 -4.8015 -3.1618 -3.1618 0.3612 0.3612 1.2240 1.2240 1.6380 1.6380 1.9730 1.9730 2.3950 2.3950 2.6127 2.6127 3.0036 3.0036 3.0657 3.0657 3.7268 3.7268 3.9599 3.9599 4.4063 4.4063 5.0977 5.0977 6.0987 6.0987 6.3937 6.3937 6.9002 6.9002 7.1371 7.1371 k = 0.4141 0.4092 0.4361 ( 20429 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.5101 -8.5101 -7.3212 -7.3212 -7.2988 -7.2988 -7.0711 -7.0711 -4.7871 -4.7871 -3.1457 -3.1457 0.3791 0.3791 1.1661 1.1661 1.6835 1.6835 1.9635 1.9635 2.3340 2.3340 2.5899 2.5899 2.9706 2.9706 3.0618 3.0618 3.7491 3.7491 3.9609 3.9609 4.4095 4.4095 5.0632 5.0632 6.1265 6.1265 6.4182 6.4182 6.9219 6.9219 7.1697 7.1697 k = 0.4065 0.4016 0.4504 ( 20436 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.5100 -8.5100 -7.3487 -7.3487 -7.2971 -7.2971 -7.0540 -7.0540 -4.7656 -4.7656 -3.1314 -3.1314 0.3984 0.3984 1.1117 1.1117 1.7279 1.7279 1.9541 1.9541 2.2709 2.2709 2.5701 2.5701 2.9175 2.9175 3.0674 3.0674 3.7712 3.7712 3.9595 3.9595 4.4047 4.4047 5.0256 5.0256 6.1515 6.1515 6.4557 6.4557 6.9495 6.9495 7.2065 7.2065 k = 0.3988 0.3940 0.4648 ( 20436 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.5079 -8.5079 -7.3820 -7.3820 -7.2942 -7.2942 -7.0367 -7.0367 -4.7373 -4.7373 -3.1187 -3.1187 0.4186 0.4186 1.0611 1.0611 1.7689 1.7689 1.9455 1.9455 2.2097 2.2097 2.5515 2.5515 2.8551 2.8551 3.0759 3.0759 3.7887 3.7887 3.9555 3.9555 4.3911 4.3911 4.9857 4.9857 6.1778 6.1778 6.5051 6.5051 6.9819 6.9819 7.2473 7.2473 k = 0.3912 0.3865 0.4791 ( 20440 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.5038 -8.5038 -7.4199 -7.4199 -7.2902 -7.2902 -7.0201 -7.0201 -4.7025 -4.7025 -3.1078 -3.1078 0.4391 0.4391 1.0144 1.0144 1.8022 1.8022 1.9385 1.9385 2.1553 2.1553 2.5331 2.5331 2.7883 2.7883 3.0850 3.0850 3.7985 3.7985 3.9488 3.9488 4.3694 4.3694 4.9438 4.9438 6.2099 6.2099 6.5637 6.5637 7.0184 7.0184 7.2917 7.2917 k = 0.3835 0.3789 0.4934 ( 20442 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4977 -8.4977 -7.4617 -7.4617 -7.2852 -7.2852 -7.0047 -7.0047 -4.6617 -4.6617 -3.0985 -3.0985 0.4592 0.4592 0.9719 0.9719 1.8201 1.8201 1.9339 1.9339 2.1150 2.1150 2.5145 2.5145 2.7202 2.7202 3.0939 3.0939 3.7982 3.7982 3.9390 3.9390 4.3409 4.3409 4.9005 4.9005 6.2509 6.2509 6.6287 6.6287 7.0585 7.0585 7.3393 7.3393 k = 0.3758 0.3713 0.5078 ( 20454 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4897 -8.4897 -7.5066 -7.5066 -7.2791 -7.2791 -6.9907 -6.9907 -4.6153 -4.6153 -3.0911 -3.0911 0.4782 0.4782 0.9336 0.9336 1.8134 1.8134 1.9325 1.9325 2.0966 2.0966 2.4959 2.4959 2.6530 2.6530 3.1023 3.1023 3.7862 3.7862 3.9260 3.9260 4.3085 4.3085 4.8558 4.8558 6.3018 6.3018 6.6980 6.6980 7.1020 7.1020 7.3899 7.3899 k = 0.3682 0.3638 0.5221 ( 20450 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4796 -8.4796 -7.5541 -7.5541 -7.2719 -7.2719 -6.9782 -6.9782 -4.5637 -4.5637 -3.0853 -3.0853 0.4955 0.4955 0.8997 0.8997 1.7809 1.7809 1.9352 1.9352 2.0987 2.0987 2.4779 2.4779 2.5891 2.5891 3.1098 3.1098 3.7611 3.7611 3.9099 3.9099 4.2751 4.2751 4.8101 4.8101 6.3623 6.3623 6.7702 6.7702 7.1488 7.1488 7.4432 7.4432 k = 0.3682 0.3638 0.5221 ( 20450 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4796 -8.4796 -7.5541 -7.5541 -7.2719 -7.2719 -6.9782 -6.9782 -4.5637 -4.5637 -3.0853 -3.0853 0.4955 0.4955 0.8997 0.8997 1.7809 1.7809 1.9352 1.9352 2.0987 2.0987 2.4779 2.4779 2.5891 2.5891 3.1098 3.1098 3.7611 3.7611 3.9099 3.9099 4.2751 4.2751 4.8101 4.8101 6.3623 6.3623 6.7702 6.7702 7.1488 7.1488 7.4432 7.4432 k = 0.3555 0.3512 0.5221 ( 20438 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4785 -8.4785 -7.5885 -7.5885 -7.2693 -7.2693 -6.9669 -6.9669 -4.5059 -4.5059 -3.0529 -3.0529 0.5051 0.5051 0.8357 0.8357 1.7551 1.7551 1.9478 1.9478 2.0854 2.0854 2.4362 2.4362 2.5294 2.5294 3.0687 3.0687 3.7394 3.7394 3.8991 3.8991 4.2274 4.2274 4.7332 4.7332 6.4391 6.4391 6.8857 6.8857 7.2369 7.2369 7.5439 7.5439 k = 0.3428 0.3387 0.5221 ( 20424 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4773 -8.4773 -7.6235 -7.6235 -7.2660 -7.2660 -6.9560 -6.9560 -4.4444 -4.4444 -3.0185 -3.0185 0.5123 0.5123 0.7722 0.7722 1.7188 1.7188 1.9616 1.9616 2.0676 2.0676 2.3926 2.3926 2.4847 2.4847 3.0257 3.0257 3.7161 3.7161 3.8853 3.8853 4.1776 4.1776 4.6582 4.6582 6.5165 6.5165 7.0081 7.0081 7.3326 7.3326 7.6451 7.6451 k = 0.3301 0.3261 0.5221 ( 20420 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4761 -8.4761 -7.6589 -7.6589 -7.2620 -7.2620 -6.9455 -6.9455 -4.3794 -4.3794 -2.9822 -2.9822 0.5131 0.5131 0.7143 0.7143 1.6710 1.6710 1.9728 1.9728 2.0469 2.0469 2.3493 2.3493 2.4565 2.4565 2.9811 2.9811 3.6916 3.6916 3.8683 3.8683 4.1268 4.1268 4.5858 4.5858 6.5938 6.5938 7.1364 7.1364 7.4346 7.4346 7.7464 7.7464 k = 0.3174 0.3136 0.5221 ( 20428 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4748 -8.4748 -7.6945 -7.6945 -7.2572 -7.2572 -6.9353 -6.9353 -4.3114 -4.3114 -2.9443 -2.9443 0.4986 0.4986 0.6715 0.6715 1.6117 1.6117 1.9687 1.9687 2.0356 2.0356 2.3089 2.3089 2.4431 2.4431 2.9349 2.9349 3.6659 3.6659 3.8483 3.8483 4.0755 4.0755 4.5166 4.5166 6.6708 6.6708 7.2697 7.2697 7.5413 7.5413 7.8474 7.8474 k = 0.3047 0.3010 0.5221 ( 20417 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4736 -8.4736 -7.7301 -7.7301 -7.2515 -7.2515 -6.9257 -6.9257 -4.2406 -4.2406 -2.9051 -2.9051 0.4604 0.4604 0.6528 0.6528 1.5420 1.5420 1.9381 1.9381 2.0451 2.0451 2.2726 2.2726 2.4424 2.4424 2.8874 2.8874 3.6393 3.6393 3.8253 3.8253 4.0245 4.0245 4.4511 4.4511 6.7472 6.7472 7.4070 7.4070 7.6508 7.6508 7.9484 7.9484 k = 0.2920 0.2885 0.5221 ( 20409 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4723 -8.4723 -7.7656 -7.7656 -7.2450 -7.2450 -6.9164 -6.9164 -4.1672 -4.1672 -2.8648 -2.8648 0.4036 0.4036 0.6535 0.6535 1.4638 1.4638 1.8930 1.8930 2.0644 2.0644 2.2402 2.2402 2.4521 2.4521 2.8390 2.8390 3.6121 3.6121 3.7994 3.7994 3.9742 3.9742 4.3893 4.3893 6.8230 6.8230 7.5472 7.5472 7.7606 7.7606 8.0500 8.0500 k = 0.2793 0.2759 0.5221 ( 20412 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4710 -8.4710 -7.8008 -7.8008 -7.2376 -7.2376 -6.9077 -6.9077 -4.0916 -4.0916 -2.8237 -2.8237 0.3381 0.3381 0.6644 0.6644 1.3790 1.3790 1.8411 1.8411 2.0868 2.0868 2.2112 2.2112 2.4700 2.4700 2.7901 2.7901 3.5844 3.5844 3.7711 3.7711 3.9249 3.9249 4.3317 4.3317 6.8981 6.8981 7.6891 7.6891 7.8681 7.8681 8.1531 8.1531 k = 0.2666 0.2634 0.5221 ( 20409 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4696 -8.4696 -7.8356 -7.8356 -7.2293 -7.2293 -6.8996 -6.8996 -4.0139 -4.0139 -2.7821 -2.7821 0.2696 0.2696 0.6802 0.6802 1.2895 1.2895 1.7853 1.7853 2.1097 2.1097 2.1852 2.1852 2.4943 2.4943 2.7414 2.7414 3.5565 3.5565 3.7408 3.7408 3.8769 3.8769 4.2780 4.2780 6.9723 6.9723 7.8308 7.8308 7.9706 7.9706 8.2592 8.2592 k = 0.2539 0.2509 0.5221 ( 20403 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4682 -8.4682 -7.8699 -7.8699 -7.2200 -7.2200 -6.8920 -6.8920 -3.9345 -3.9345 -2.7404 -2.7404 0.2006 0.2006 0.6986 0.6986 1.1968 1.1968 1.7272 1.7272 2.1284 2.1284 2.1647 2.1647 2.5232 2.5232 2.6941 2.6941 3.5286 3.5286 3.7089 3.7089 3.8304 3.8304 4.2281 4.2281 7.0457 7.0457 7.9686 7.9686 8.0677 8.0677 8.3695 8.3695 k = 0.2412 0.2383 0.5221 ( 20415 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4667 -8.4667 -7.9035 -7.9035 -7.2099 -7.2099 -6.8851 -6.8851 -3.8537 -3.8537 -2.6987 -2.6987 0.1325 0.1325 0.7184 0.7184 1.1025 1.1025 1.6680 1.6680 2.1247 2.1247 2.1659 2.1659 2.5543 2.5543 2.6509 2.6509 3.5008 3.5008 3.6760 3.6760 3.7854 3.7854 4.1817 4.1817 7.1181 7.1181 8.0902 8.0902 8.1684 8.1684 8.4843 8.4843 k = 0.2285 0.2258 0.5221 ( 20423 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4651 -8.4651 -7.9365 -7.9365 -7.1988 -7.1988 -6.8789 -6.8789 -3.7716 -3.7716 -2.6576 -2.6576 0.0662 0.0662 0.7382 0.7382 1.0080 1.0080 1.6087 1.6087 2.1042 2.1042 2.1809 2.1809 2.5757 2.5757 2.6250 2.6250 3.4732 3.4732 3.6428 3.6428 3.7421 3.7421 4.1385 4.1385 7.1893 7.1893 8.1775 8.1775 8.2892 8.2892 8.6027 8.6027 k = 0.2158 0.2132 0.5221 ( 20407 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4632 -8.4632 -7.9687 -7.9687 -7.1869 -7.1869 -6.8734 -6.8734 -3.6885 -3.6885 -2.6172 -2.6172 0.0023 0.0023 0.7554 0.7554 0.9166 0.9166 1.5502 1.5502 2.0812 2.0812 2.1918 2.1918 2.5593 2.5593 2.6468 2.6468 3.4460 3.4460 3.6098 3.6098 3.7005 3.7005 4.0979 4.0979 7.2594 7.2594 8.2391 8.2391 8.4200 8.4200 8.7229 8.7229 k = 0.2031 0.2007 0.5221 ( 20398 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4612 -8.4612 -8.0000 -8.0000 -7.1742 -7.1742 -6.8687 -6.8687 -3.6048 -3.6048 -2.5781 -2.5781 -0.0587 -0.0587 0.7540 0.7540 0.8444 0.8444 1.4932 1.4932 2.0577 2.0577 2.1934 2.1934 2.5383 2.5383 2.6862 2.6862 3.4191 3.4191 3.5775 3.5775 3.6608 3.6608 4.0595 4.0595 7.3280 7.3280 8.2859 8.2859 8.5494 8.5494 8.8430 8.8430 k = 0.1904 0.1881 0.5221 ( 20384 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4589 -8.4589 -8.0304 -8.0304 -7.1607 -7.1607 -6.8648 -6.8648 -3.5206 -3.5206 -2.5407 -2.5407 -0.1164 -0.1164 0.6930 0.6930 0.8328 0.8328 1.4384 1.4384 2.0336 2.0336 2.1826 2.1826 2.5288 2.5288 2.7297 2.7297 3.3926 3.3926 3.5463 3.5463 3.6229 3.6229 4.0228 4.0228 7.3952 7.3952 8.3217 8.3217 8.6727 8.6727 8.9605 8.9605 k = 0.1777 0.1756 0.5221 ( 20379 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4564 -8.4564 -8.0598 -8.0598 -7.1466 -7.1466 -6.8619 -6.8619 -3.4363 -3.4363 -2.5052 -2.5052 -0.1705 -0.1705 0.6051 0.6051 0.8492 0.8492 1.3863 1.3863 2.0090 2.0090 2.1592 2.1592 2.5324 2.5324 2.7754 2.7754 3.3665 3.3665 3.5165 3.5165 3.5872 3.5872 3.9875 3.9875 7.4608 7.4608 8.3483 8.3483 8.7874 8.7874 9.0703 9.0703 k = 0.1650 0.1631 0.5221 ( 20377 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4534 -8.4534 -8.0882 -8.0882 -7.1319 -7.1319 -6.8600 -6.8600 -3.3522 -3.3522 -2.4722 -2.4722 -0.2205 -0.2205 0.5137 0.5137 0.8704 0.8704 1.3374 1.3374 1.9839 1.9839 2.1261 2.1261 2.5472 2.5472 2.8225 2.8225 3.3407 3.3407 3.4885 3.4885 3.5536 3.5536 3.9531 3.9531 7.5246 7.5246 8.3669 8.3669 8.8919 8.8919 9.1587 9.1587 k = 0.1523 0.1505 0.5221 ( 20390 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4500 -8.4500 -8.1156 -8.1156 -7.1166 -7.1166 -6.8590 -6.8590 -3.2686 -3.2686 -2.4421 -2.4421 -0.2662 -0.2662 0.4228 0.4228 0.8926 0.8926 1.2923 1.2923 1.9583 1.9583 2.0870 2.0870 2.5698 2.5698 2.8706 2.8706 3.3151 3.3151 3.4624 3.4624 3.5223 3.5223 3.9194 3.9194 7.5867 7.5867 8.3786 8.3786 8.9851 8.9851 9.2090 9.2090 k = 0.1396 0.1380 0.5221 ( 20379 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4461 -8.4461 -8.1419 -8.1419 -7.1010 -7.1010 -6.8591 -6.8591 -3.1859 -3.1859 -2.4153 -2.4153 -0.3073 -0.3073 0.3335 0.3335 0.9146 0.9146 1.2513 1.2513 1.9321 1.9321 2.0452 2.0452 2.5975 2.5975 2.9191 2.9191 3.2895 3.2895 3.4383 3.4383 3.4935 3.4935 3.8860 3.8860 7.6469 7.6469 8.3843 8.3843 9.0663 9.0663 9.2280 9.2280 k = 0.1270 0.1254 0.5221 ( 20375 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4417 -8.4417 -8.1670 -8.1670 -7.0851 -7.0851 -6.8603 -6.8603 -3.1044 -3.1044 -2.3924 -2.3924 -0.3435 -0.3435 0.2467 0.2467 0.9360 0.9360 1.2146 1.2146 1.9056 1.9056 2.0031 2.0031 2.6285 2.6285 2.9678 2.9678 3.2640 3.2640 3.4164 3.4164 3.4673 3.4673 3.8528 3.8528 7.7051 7.7051 8.3844 8.3844 9.1326 9.1326 9.2334 9.2334 k = 0.1143 0.1129 0.5221 ( 20387 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4367 -8.4367 -8.1911 -8.1911 -7.0689 -7.0689 -6.8626 -6.8626 -3.0246 -3.0246 -2.3737 -2.3737 -0.3745 -0.3745 0.1628 0.1628 0.9561 0.9561 1.1824 1.1824 1.8787 1.8787 1.9625 1.9625 2.6615 2.6615 3.0160 3.0160 3.2386 3.2386 3.3966 3.3966 3.4440 3.4440 3.8193 3.8193 7.7614 7.7614 8.3798 8.3798 9.1731 9.1731 9.2476 9.2476 k = 0.1016 0.1003 0.5221 ( 20388 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4310 -8.4310 -8.2140 -8.2140 -7.0527 -7.0527 -6.8660 -6.8660 -2.9469 -2.9469 -2.3598 -2.3598 -0.4000 -0.4000 0.0824 0.0824 0.9748 0.9748 1.1549 1.1549 1.8519 1.8519 1.9245 1.9245 2.6957 2.6957 3.0628 3.0628 3.2135 3.2135 3.3789 3.3789 3.4239 3.4239 3.7856 3.7856 7.8157 7.8157 8.3707 8.3707 9.1811 9.1811 9.2835 9.2835 k = 0.0889 0.0878 0.5221 ( 20405 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4246 -8.4246 -8.2357 -8.2357 -7.0366 -7.0366 -6.8706 -6.8706 -2.8718 -2.8718 -2.3510 -2.3510 -0.4197 -0.4197 0.0060 0.0060 0.9915 0.9915 1.1320 1.1320 1.8259 1.8259 1.8899 1.8899 2.7305 2.7305 3.1054 3.1054 3.1909 3.1909 3.3632 3.3632 3.4074 3.4074 3.7513 3.7513 7.8680 7.8680 8.3576 8.3576 9.1778 9.1778 9.3233 9.3233 k = 0.0762 0.0753 0.5221 ( 20416 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4175 -8.4175 -8.2563 -8.2563 -7.0205 -7.0205 -6.8763 -6.8763 -2.7998 -2.7998 -2.3479 -2.3479 -0.4333 -0.4333 -0.0658 -0.0658 1.0061 1.0061 1.1133 1.1133 1.8016 1.8016 1.8589 1.8589 2.7656 2.7656 3.1293 3.1293 3.1843 3.1843 3.3496 3.3496 3.3952 3.3952 3.7164 3.7164 7.9183 7.9183 8.3409 8.3409 9.1740 9.1740 9.3581 9.3581 k = 0.0635 0.0627 0.5221 ( 20429 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4095 -8.4095 -8.2757 -8.2757 -7.0047 -7.0047 -6.8832 -6.8832 -2.7315 -2.7315 -2.3508 -2.3508 -0.4406 -0.4406 -0.1325 -0.1325 1.0184 1.0184 1.0986 1.0986 1.7804 1.7804 1.8314 1.8314 2.8006 2.8006 3.1160 3.1160 3.2108 3.2108 3.3378 3.3378 3.3886 3.3886 3.6807 3.6807 7.9665 7.9665 8.3207 8.3207 9.1728 9.1728 9.3855 9.3855 k = 0.0508 0.0502 0.5221 ( 20413 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4006 -8.4006 -8.2939 -8.2939 -6.9893 -6.9893 -6.8912 -6.8912 -2.6674 -2.6674 -2.3600 -2.3600 -0.4413 -0.4413 -0.1937 -0.1937 1.0287 1.0287 1.0871 1.0871 1.7632 1.7632 1.8073 1.8073 2.8354 2.8354 3.0904 3.0904 3.2430 3.2430 3.3276 3.3276 3.3898 3.3898 3.6443 3.6443 8.0127 8.0127 8.2974 8.2974 9.1754 9.1754 9.3801 9.3801 k = 0.0381 0.0376 0.5221 ( 20431 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3909 -8.3909 -8.3111 -8.3111 -6.9744 -6.9744 -6.9003 -6.9003 -2.6080 -2.6080 -2.3757 -2.3757 -0.4351 -0.4351 -0.2488 -0.2488 1.0372 1.0372 1.0780 1.0780 1.7511 1.7511 1.7865 1.7865 2.8698 2.8698 3.0619 3.0619 3.2684 3.2684 3.3191 3.3191 3.4018 3.4018 3.6070 3.6070 8.0567 8.0567 8.2710 8.2710 9.1825 9.1825 9.3367 9.3367 k = 0.0254 0.0251 0.5221 ( 20435 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3802 -8.3802 -8.3270 -8.3270 -6.9601 -6.9601 -6.9104 -6.9104 -2.5538 -2.5538 -2.3981 -2.3981 -0.4219 -0.4219 -0.2974 -0.2974 1.0445 1.0445 1.0705 1.0705 1.7444 1.7444 1.7693 1.7693 2.9036 2.9036 3.0320 3.0320 3.2845 3.2845 3.3119 3.3119 3.4253 3.4253 3.5692 3.5692 8.0985 8.0985 8.2418 8.2418 9.1944 9.1944 9.2969 9.2969 k = 0.0127 0.0125 0.5221 ( 20432 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3685 -8.3685 -8.3419 -8.3419 -6.9464 -6.9464 -6.9215 -6.9215 -2.5054 -2.5054 -2.4273 -2.4273 -0.4016 -0.4016 -0.3392 -0.3392 1.0512 1.0512 1.0639 1.0639 1.7431 1.7431 1.7561 1.7561 2.9368 2.9368 3.0011 3.0011 3.2939 3.2939 3.3058 3.3058 3.4571 3.4571 3.5310 3.5310 8.1380 8.1380 8.2098 8.2098 9.2115 9.2115 9.2627 9.2627 k = 0.0000 0.0000 0.5221 ( 20426 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3557 -8.3557 -8.3557 -8.3557 -6.9336 -6.9336 -6.9335 -6.9335 -2.4631 -2.4631 -2.4631 -2.4631 -0.3740 -0.3740 -0.3740 -0.3740 1.0575 1.0575 1.0575 1.0575 1.7472 1.7472 1.7472 1.7472 2.9693 2.9693 2.9694 2.9694 3.3001 3.3001 3.3002 3.3002 3.4932 3.4932 3.4932 3.4932 8.1751 8.1751 8.1751 8.1751 9.2342 9.2342 9.2342 9.2342 k = 0.0000 0.0000 0.5221 ( 20426 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3557 -8.3557 -8.3557 -8.3557 -6.9336 -6.9336 -6.9335 -6.9335 -2.4631 -2.4631 -2.4631 -2.4631 -0.3740 -0.3740 -0.3740 -0.3740 1.0575 1.0575 1.0575 1.0575 1.7472 1.7472 1.7472 1.7472 2.9693 2.9693 2.9694 2.9694 3.3001 3.3001 3.3002 3.3002 3.4932 3.4932 3.4932 3.4932 8.1751 8.1751 8.1751 8.1751 9.2342 9.2342 9.2342 9.2342 k = 0.0125-0.0127 0.5221 ( 20426 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3553 -8.3553 -8.3552 -8.3552 -6.9341 -6.9341 -6.9339 -6.9339 -2.4663 -2.4663 -2.4661 -2.4661 -0.3708 -0.3708 -0.3705 -0.3705 1.0572 1.0572 1.0597 1.0597 1.7465 1.7465 1.7494 1.7494 2.9697 2.9697 2.9701 2.9701 3.2986 3.2986 3.3001 3.3001 3.4933 3.4933 3.4946 3.4946 8.1740 8.1740 8.1744 8.1744 9.2366 9.2366 9.2369 9.2369 k = 0.0250-0.0253 0.5221 ( 20424 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3539 -8.3539 -8.3537 -8.3537 -6.9357 -6.9357 -6.9354 -6.9354 -2.4756 -2.4756 -2.4752 -2.4752 -0.3610 -0.3610 -0.3603 -0.3603 1.0588 1.0588 1.0638 1.0638 1.7472 1.7472 1.7531 1.7531 2.9712 2.9712 2.9719 2.9719 3.2955 3.2955 3.2984 3.2984 3.4950 3.4950 3.4977 3.4977 8.1710 8.1710 8.1717 8.1717 9.2440 9.2440 9.2445 9.2445 k = 0.0375-0.0380 0.5221 ( 20428 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3516 -8.3516 -8.3513 -8.3513 -6.9382 -6.9382 -6.9377 -6.9377 -2.4909 -2.4909 -2.4903 -2.4903 -0.3446 -0.3446 -0.3437 -0.3437 1.0622 1.0622 1.0696 1.0696 1.7496 1.7496 1.7583 1.7583 2.9738 2.9738 2.9748 2.9748 3.2909 3.2909 3.2951 3.2951 3.4983 3.4983 3.5023 3.5023 8.1661 8.1661 8.1672 8.1672 9.2562 9.2562 9.2565 9.2565 k = 0.0500-0.0506 0.5221 ( 20430 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3484 -8.3484 -8.3480 -8.3480 -6.9417 -6.9417 -6.9411 -6.9411 -2.5118 -2.5118 -2.5111 -2.5111 -0.3219 -0.3219 -0.3207 -0.3207 1.0671 1.0671 1.0770 1.0770 1.7535 1.7535 1.7651 1.7651 2.9775 2.9775 2.9787 2.9787 3.2848 3.2848 3.2904 3.2904 3.5035 3.5035 3.5088 3.5088 8.1592 8.1592 8.1607 8.1607 9.2724 9.2724 9.2726 9.2726 k = 0.0625-0.0633 0.5221 ( 20438 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3443 -8.3443 -8.3438 -8.3438 -6.9461 -6.9461 -6.9453 -6.9453 -2.5380 -2.5380 -2.5372 -2.5372 -0.2932 -0.2932 -0.2918 -0.2918 1.0733 1.0733 1.0856 1.0856 1.7590 1.7590 1.7734 1.7734 2.9821 2.9821 2.9835 2.9835 3.2775 3.2775 3.2844 3.2844 3.5107 3.5107 3.5172 3.5172 8.1502 8.1502 8.1524 8.1524 9.2900 9.2900 9.2921 9.2921 k = 0.0750-0.0759 0.5221 ( 20434 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3392 -8.3392 -8.3387 -8.3387 -6.9514 -6.9514 -6.9504 -6.9504 -2.5691 -2.5691 -2.5682 -2.5682 -0.2587 -0.2587 -0.2573 -0.2573 1.0804 1.0804 1.0952 1.0952 1.7662 1.7662 1.7834 1.7834 2.9875 2.9875 2.9891 2.9891 3.2692 3.2692 3.2774 3.2774 3.5200 3.5200 3.5276 3.5276 8.1392 8.1392 8.1421 8.1421 9.3045 9.3045 9.3115 9.3115 k = 0.0875-0.0886 0.5221 ( 20422 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3334 -8.3334 -8.3327 -8.3327 -6.9575 -6.9575 -6.9563 -6.9563 -2.6046 -2.6046 -2.6037 -2.6037 -0.2189 -0.2189 -0.2174 -0.2174 1.0882 1.0882 1.1054 1.1054 1.7752 1.7752 1.7950 1.7950 2.9937 2.9937 2.9953 2.9953 3.2603 3.2603 3.2699 3.2699 3.5315 3.5315 3.5402 3.5402 8.1260 8.1260 8.1298 8.1298 9.3048 9.3048 9.3216 9.3216 k = 0.1000-0.1012 0.5221 ( 20416 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3267 -8.3267 -8.3259 -8.3259 -6.9643 -6.9643 -6.9630 -6.9630 -2.6441 -2.6441 -2.6431 -2.6431 -0.1740 -0.1740 -0.1726 -0.1726 1.0963 1.0963 1.1158 1.1158 1.7859 1.7859 1.8082 1.8082 3.0004 3.0004 3.0020 3.0020 3.2515 3.2515 3.2624 3.2624 3.5454 3.5454 3.5551 3.5551 8.1104 8.1104 8.1154 8.1154 9.2806 9.2806 9.3084 9.3084 k = 0.1125-0.1139 0.5221 ( 20414 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3192 -8.3192 -8.3183 -8.3183 -6.9718 -6.9718 -6.9703 -6.9703 -2.6870 -2.6870 -2.6860 -2.6860 -0.1245 -0.1245 -0.1233 -0.1233 1.1043 1.1043 1.1260 1.1260 1.7982 1.7982 1.8229 1.8229 3.0074 3.0074 3.0090 3.0090 3.2432 3.2432 3.2555 3.2555 3.5616 3.5616 3.5723 3.5723 8.0924 8.0924 8.0988 8.0988 9.2347 9.2347 9.2711 9.2711 k = 0.1250-0.1265 0.5221 ( 20412 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3109 -8.3109 -8.3100 -8.3100 -6.9799 -6.9799 -6.9783 -6.9783 -2.7330 -2.7330 -2.7320 -2.7320 -0.0708 -0.0708 -0.0699 -0.0699 1.1119 1.1119 1.1358 1.1358 1.8121 1.8121 1.8389 1.8389 3.0145 3.0145 3.0159 3.0159 3.2362 3.2362 3.2500 3.2500 3.5802 3.5802 3.5919 3.5919 8.0717 8.0717 8.0799 8.0799 9.1723 9.1723 9.2174 9.2174 k = 0.1375-0.1392 0.5221 ( 20416 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3020 -8.3020 -8.3009 -8.3009 -6.9885 -6.9885 -6.9868 -6.9868 -2.7814 -2.7814 -2.7805 -2.7805 -0.0131 -0.0131 -0.0126 -0.0126 1.1189 1.1189 1.1448 1.1448 1.8272 1.8272 1.8559 1.8559 3.0215 3.0215 3.0227 3.0227 3.2312 3.2312 3.2464 3.2464 3.6013 3.6013 3.6139 3.6139 8.0481 8.0481 8.0586 8.0586 9.0967 9.0967 9.1512 9.1512 k = 0.1500-0.1518 0.5221 ( 20416 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.2923 -8.2923 -8.2912 -8.2912 -6.9976 -6.9976 -6.9957 -6.9957 -2.8321 -2.8321 -2.8312 -2.8312 0.0482 0.0482 0.0482 0.0482 1.1251 1.1251 1.1529 1.1529 1.8434 1.8434 1.8736 1.8736 3.0283 3.0283 3.0292 3.0292 3.2290 3.2290 3.2456 3.2456 3.6248 3.6248 3.6383 3.6383 8.0213 8.0213 8.0348 8.0348 9.0096 9.0096 9.0748 9.0748 k = 0.1625-0.1645 0.5221 ( 20412 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.2821 -8.2821 -8.2809 -8.2809 -7.0070 -7.0070 -7.0050 -7.0050 -2.8844 -2.8844 -2.8836 -2.8836 0.1120 0.1120 0.1127 0.1127 1.1304 1.1304 1.1599 1.1599 1.8601 1.8601 1.8917 1.8917 3.0348 3.0348 3.0355 3.0355 3.2299 3.2299 3.2479 3.2479 3.6507 3.6507 3.6651 3.6651 7.9910 7.9910 8.0082 8.0082 8.9126 8.9126 8.9896 8.9896 k = 0.1750-0.1771 0.5221 ( 20412 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.2714 -8.2714 -8.2701 -8.2701 -7.0166 -7.0166 -7.0145 -7.0145 -2.9381 -2.9381 -2.9373 -2.9373 0.1785 0.1785 0.1800 0.1800 1.1347 1.1347 1.1659 1.1659 1.8769 1.8769 1.9095 1.9095 3.0414 3.0414 3.0418 3.0418 3.2343 3.2343 3.2535 3.2535 3.6791 3.6791 3.6943 3.6943 7.9568 7.9568 7.9787 7.9787 8.8071 8.8071 8.8971 8.8971 k = 0.1875-0.1898 0.5221 ( 20400 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.2601 -8.2601 -8.2588 -8.2588 -7.0265 -7.0265 -7.0242 -7.0242 -2.9927 -2.9927 -2.9921 -2.9921 0.2473 0.2473 0.2499 0.2499 1.1381 1.1381 1.1710 1.1710 1.8934 1.8934 1.9267 1.9267 3.0486 3.0486 3.0488 3.0488 3.2423 3.2423 3.2626 3.2626 3.7099 3.7099 3.7259 3.7259 7.9182 7.9182 7.9462 7.9462 8.6947 8.6947 8.7988 8.7988 k = 0.2000-0.2024 0.5221 ( 20406 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.2485 -8.2485 -8.2471 -8.2471 -7.0364 -7.0364 -7.0340 -7.0340 -3.0480 -3.0480 -3.0475 -3.0475 0.3179 0.3179 0.3218 0.3218 1.1407 1.1407 1.1752 1.1752 1.9091 1.9091 1.9428 1.9428 3.0568 3.0568 3.0569 3.0569 3.2535 3.2535 3.2748 3.2748 3.7431 3.7431 3.7599 3.7599 7.8746 7.8746 7.9102 7.9102 8.5767 8.5767 8.6962 8.6962 k = 0.2125-0.2151 0.5221 ( 20398 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.2366 -8.2366 -8.2350 -8.2350 -7.0463 -7.0463 -7.0438 -7.0438 -3.1036 -3.1036 -3.1032 -3.1032 0.3898 0.3898 0.3953 0.3953 1.1426 1.1426 1.1788 1.1788 1.9235 1.9235 1.9574 1.9574 3.0667 3.0667 3.0669 3.0669 3.2678 3.2678 3.2899 3.2899 3.7788 3.7788 3.7963 3.7963 7.8255 7.8255 7.8706 7.8706 8.4549 8.4549 8.5912 8.5912 k = 0.2250-0.2277 0.5221 ( 20406 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.2243 -8.2243 -8.2227 -8.2227 -7.0560 -7.0560 -7.0535 -7.0535 -3.1593 -3.1593 -3.1589 -3.1589 0.4625 0.4625 0.4698 0.4698 1.1441 1.1441 1.1823 1.1823 1.9363 1.9363 1.9701 1.9701 3.0788 3.0788 3.0793 3.0793 3.2846 3.2846 3.3076 3.3076 3.8167 3.8167 3.8349 3.8349 7.7698 7.7698 7.8266 7.8266 8.3312 8.3312 8.4859 8.4859 k = 0.2375-0.2404 0.5221 ( 20414 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.2119 -8.2119 -8.2103 -8.2103 -7.0656 -7.0656 -7.0630 -7.0630 -3.2147 -3.2147 -3.2144 -3.2144 0.5351 0.5351 0.5447 0.5447 1.1457 1.1457 1.1861 1.1861 1.9474 1.9474 1.9808 1.9808 3.0935 3.0935 3.0945 3.0945 3.3037 3.3037 3.3274 3.3274 3.8570 3.8570 3.8757 3.8757 7.7069 7.7069 7.7772 7.7772 8.2077 8.2077 8.3822 8.3822 k = 0.2500-0.2530 0.5221 ( 20420 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.1994 -8.1994 -8.1978 -8.1978 -7.0749 -7.0749 -7.0722 -7.0722 -3.2696 -3.2696 -3.2694 -3.2694 0.6067 0.6067 0.6191 0.6191 1.1478 1.1478 1.1908 1.1908 1.9567 1.9567 1.9896 1.9896 3.1110 3.1110 3.1125 3.1125 3.3247 3.3247 3.3491 3.3491 3.8994 3.8994 3.9186 3.9186 7.6357 7.6357 7.7204 7.7204 8.0876 8.0876 8.2824 8.2824 k = 0.2625-0.2657 0.5221 ( 20428 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.1869 -8.1869 -8.1852 -8.1852 -7.0839 -7.0839 -7.0811 -7.0811 -3.3237 -3.3237 -3.3236 -3.3236 0.6761 0.6761 0.6919 0.6919 1.1513 1.1513 1.1973 1.1973 1.9643 1.9643 1.9965 1.9965 3.1312 3.1312 3.1333 3.1333 3.3475 3.3475 3.3724 3.3724 3.9440 3.9440 3.9634 3.9634 7.5559 7.5559 7.6535 7.6535 7.9748 7.9748 8.1881 8.1881 k = 0.2750-0.2783 0.5221 ( 20436 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.1745 -8.1745 -8.1728 -8.1728 -7.0925 -7.0925 -7.0897 -7.0897 -3.3768 -3.3768 -3.3768 -3.3768 0.7418 0.7418 0.7614 0.7614 1.1573 1.1573 1.2067 1.2067 1.9707 1.9707 2.0021 2.0021 3.1539 3.1539 3.1567 3.1567 3.3717 3.3717 3.3971 3.3971 3.9904 3.9904 4.0100 4.0100 7.4672 7.4672 7.5727 7.5727 7.8740 7.8740 8.1005 8.1005 k = 0.2875-0.2910 0.5221 ( 20440 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.1623 -8.1623 -8.1605 -8.1605 -7.1006 -7.1006 -7.0977 -7.0977 -3.4287 -3.4287 -3.4286 -3.4286 0.8017 0.8017 0.8254 0.8254 1.1677 1.1677 1.2205 1.2205 1.9763 1.9763 2.0067 2.0067 3.1788 3.1788 3.1823 3.1823 3.3973 3.3973 3.4229 3.4229 4.0386 4.0386 4.0582 4.0582 7.3704 7.3704 7.4764 7.4764 7.7882 7.7882 8.0201 8.0201 k = 0.3000-0.3036 0.5221 ( 20438 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.1503 -8.1503 -8.1484 -8.1484 -7.1081 -7.1081 -7.1053 -7.1053 -3.4791 -3.4791 -3.4790 -3.4790 0.8539 0.8539 0.8808 0.8808 1.1847 1.1847 1.2401 1.2401 1.9818 1.9818 2.0111 2.0111 3.2054 3.2054 3.2096 3.2096 3.4240 3.4240 3.4498 3.4498 4.0883 4.0883 4.1078 4.1078 7.2667 7.2667 7.3668 7.3668 7.7161 7.7161 7.9469 7.9469 k = 0.3125-0.3163 0.5221 ( 20436 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.1386 -8.1386 -8.1368 -8.1368 -7.1151 -7.1151 -7.1123 -7.1123 -3.5278 -3.5278 -3.5276 -3.5276 0.8965 0.8965 0.9248 0.9248 1.2107 1.2107 1.2665 1.2665 1.9880 1.9880 2.0159 2.0159 3.2332 3.2332 3.2380 3.2380 3.4518 3.4518 3.4775 3.4775 4.1393 4.1393 4.1584 4.1584 7.1577 7.1577 7.2486 7.2486 7.6542 7.6542 7.8803 7.8803 k = 0.3250-0.3289 0.5221 ( 20436 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.1273 -8.1273 -8.1255 -8.1255 -7.1215 -7.1215 -7.1187 -7.1187 -3.5745 -3.5745 -3.5743 -3.5743 0.9289 0.9289 0.9560 0.9560 1.2461 1.2461 1.2996 1.2996 1.9957 1.9957 2.0222 2.0222 3.2617 3.2617 3.2669 3.2669 3.4805 3.4805 3.5059 3.5059 4.1911 4.1911 4.2097 4.2097 7.0452 7.0452 7.1259 7.1259 7.5995 7.5995 7.8197 7.8197 k = 0.3375-0.3416 0.5221 ( 20444 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.1165 -8.1165 -8.1148 -8.1148 -7.1273 -7.1273 -7.1246 -7.1246 -3.6191 -3.6191 -3.6188 -3.6188 0.9519 0.9519 0.9758 0.9758 1.2884 1.2884 1.3374 1.3374 2.0058 2.0058 2.0306 2.0306 3.2903 3.2903 3.2958 3.2958 3.5100 3.5100 3.5347 3.5347 4.2434 4.2434 4.2614 4.2614 6.9310 6.9310 7.0018 7.0018 7.5500 7.5500 7.7643 7.7643 k = 0.3500-0.3542 0.5221 ( 20436 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.1063 -8.1063 -8.1046 -8.1046 -7.1325 -7.1325 -7.1298 -7.1298 -3.6613 -3.6613 -3.6611 -3.6611 0.9672 0.9672 0.9873 0.9873 1.3338 1.3338 1.3772 1.3772 2.0193 2.0193 2.0421 2.0421 3.3186 3.3186 3.3242 3.3242 3.5401 3.5401 3.5638 3.5638 4.2959 4.2959 4.3130 4.3130 6.8166 6.8166 6.8785 6.8785 7.5050 7.5050 7.7139 7.7139 k = 0.3625-0.3669 0.5221 ( 20442 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0966 -8.0966 -8.0950 -8.0950 -7.1370 -7.1370 -7.1345 -7.1345 -3.7010 -3.7010 -3.7007 -3.7007 0.9770 0.9770 0.9933 0.9933 1.3784 1.3784 1.4160 1.4160 2.0369 2.0369 2.0574 2.0574 3.3460 3.3460 3.3515 3.3515 3.5706 3.5706 3.5930 3.5930 4.3479 4.3479 4.3640 4.3640 6.7035 6.7035 6.7576 6.7576 7.4640 7.4640 7.6680 7.6680 k = 0.3750-0.3796 0.5221 ( 20434 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0877 -8.0877 -8.0861 -8.0861 -7.1410 -7.1410 -7.1386 -7.1386 -3.7380 -3.7380 -3.7377 -3.7377 0.9828 0.9828 0.9959 0.9959 1.4195 1.4195 1.4515 1.4515 2.0588 2.0588 2.0769 2.0769 3.3723 3.3723 3.3773 3.3773 3.6012 3.6012 3.6220 3.6220 4.3990 4.3990 4.4141 4.4141 6.5931 6.5931 6.6402 6.6402 7.4273 7.4273 7.6264 7.6264 k = 0.3875-0.3922 0.5221 ( 20426 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0795 -8.0795 -8.0780 -8.0780 -7.1443 -7.1443 -7.1421 -7.1421 -3.7720 -3.7720 -3.7717 -3.7717 0.9860 0.9860 0.9965 0.9965 1.4553 1.4553 1.4820 1.4820 2.0850 2.0850 2.1004 2.1004 3.3969 3.3969 3.4015 3.4015 3.6316 3.6316 3.6504 3.6504 4.4487 4.4487 4.4626 4.4626 6.4867 6.4867 6.5277 6.5277 7.3949 7.3949 7.5888 7.5888 k = 0.4000-0.4049 0.5221 ( 20418 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0720 -8.0720 -8.0707 -8.0707 -7.1472 -7.1472 -7.1451 -7.1451 -3.8029 -3.8029 -3.8026 -3.8026 0.9875 0.9875 0.9958 0.9958 1.4851 1.4851 1.5071 1.5071 2.1146 2.1146 2.1273 2.1273 3.4196 3.4196 3.4236 3.4236 3.6612 3.6612 3.6781 3.6781 4.4963 4.4963 4.5089 4.5089 6.3857 6.3857 6.4211 6.4211 7.3673 7.3673 7.5549 7.5549 k = 0.4125-0.4175 0.5221 ( 20428 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0654 -8.0654 -8.0641 -8.0641 -7.1495 -7.1495 -7.1476 -7.1476 -3.8306 -3.8306 -3.8304 -3.8304 0.9878 0.9878 0.9944 0.9944 1.5091 1.5091 1.5268 1.5268 2.1463 2.1463 2.1565 2.1565 3.4402 3.4402 3.4435 3.4435 3.6897 3.6897 3.7044 3.7044 4.5411 4.5411 4.5524 4.5524 6.2913 6.2913 6.3218 6.3218 7.3447 7.3447 7.5242 7.5242 k = 0.4250-0.4302 0.5221 ( 20432 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0595 -8.0595 -8.0585 -8.0585 -7.1513 -7.1513 -7.1497 -7.1497 -3.8549 -3.8549 -3.8547 -3.8547 0.9875 0.9875 0.9927 0.9927 1.5276 1.5276 1.5416 1.5416 2.1785 2.1785 2.1864 2.1864 3.4584 3.4584 3.4611 3.4611 3.7164 3.7164 3.7289 3.7289 4.5825 4.5825 4.5924 4.5924 6.2051 6.2051 6.2309 6.2309 7.3276 7.3276 7.4960 7.4960 k = 0.4375-0.4428 0.5221 ( 20428 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0545 -8.0545 -8.0536 -8.0536 -7.1528 -7.1528 -7.1514 -7.1514 -3.8757 -3.8757 -3.8755 -3.8755 0.9869 0.9869 0.9909 0.9909 1.5416 1.5416 1.5524 1.5524 2.2092 2.2092 2.2152 2.2152 3.4741 3.4741 3.4761 3.4761 3.7408 3.7408 3.7510 3.7510 4.6198 4.6198 4.6281 4.6281 6.1285 6.1285 6.1499 6.1499 7.3162 7.3162 7.4692 7.4692 k = 0.4500-0.4555 0.5221 ( 20426 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0504 -8.0504 -8.0497 -8.0497 -7.1539 -7.1539 -7.1528 -7.1528 -3.8929 -3.8929 -3.8927 -3.8927 0.9862 0.9862 0.9892 0.9892 1.5519 1.5519 1.5600 1.5600 2.2370 2.2370 2.2414 2.2414 3.4871 3.4871 3.4886 3.4886 3.7621 3.7621 3.7702 3.7702 4.6520 4.6520 4.6589 4.6589 6.0631 6.0631 6.0803 6.0803 7.3106 7.3106 7.4430 7.4430 k = 0.4625-0.4681 0.5221 ( 20428 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0472 -8.0472 -8.0466 -8.0466 -7.1547 -7.1547 -7.1538 -7.1538 -3.9064 -3.9064 -3.9062 -3.9062 0.9856 0.9856 0.9878 0.9878 1.5593 1.5593 1.5650 1.5650 2.2603 2.2603 2.2633 2.2633 3.4974 3.4974 3.4984 3.4984 3.7797 3.7797 3.7857 3.7857 4.6785 4.6785 4.6838 4.6838 6.0106 6.0106 6.0235 6.0235 7.3111 7.3111 7.4168 7.4168 k = 0.4750-0.4808 0.5221 ( 20428 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0449 -8.0449 -8.0445 -8.0445 -7.1551 -7.1551 -7.1546 -7.1546 -3.9160 -3.9160 -3.9159 -3.9159 0.9852 0.9852 0.9866 0.9866 1.5643 1.5643 1.5680 1.5680 2.2779 2.2779 2.2798 2.2798 3.5048 3.5048 3.5054 3.5054 3.7931 3.7931 3.7970 3.7970 4.6984 4.6984 4.7020 4.7020 5.9723 5.9723 5.9810 5.9810 7.3174 7.3174 7.3912 7.3912 k = 0.4875-0.4934 0.5221 ( 20434 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0434 -8.0434 -8.0432 -8.0432 -7.1553 -7.1553 -7.1551 -7.1551 -3.9218 -3.9218 -3.9218 -3.9218 0.9850 0.9850 0.9857 0.9857 1.5675 1.5675 1.5693 1.5693 2.2889 2.2889 2.2898 2.2898 3.5093 3.5093 3.5096 3.5096 3.8017 3.8017 3.8037 3.8037 4.7111 4.7111 4.7129 4.7129 5.9497 5.9497 5.9541 5.9541 7.3293 7.3293 7.3672 7.3672 k = 0.5000-0.5061 0.5221 ( 20424 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0429 -8.0429 -8.0428 -8.0428 -7.1554 -7.1554 -7.1553 -7.1553 -3.9238 -3.9238 -3.9237 -3.9237 0.9852 0.9852 0.9852 0.9852 1.5691 1.5691 1.5691 1.5691 2.2930 2.2930 2.2930 2.2930 3.5108 3.5108 3.5109 3.5109 3.8053 3.8053 3.8053 3.8053 4.7160 4.7160 4.7160 4.7160 5.9435 5.9435 5.9435 5.9435 7.3462 7.3462 7.3462 7.3462 k = 0.5000-0.5061 0.5221 ( 20424 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0429 -8.0429 -8.0428 -8.0428 -7.1554 -7.1554 -7.1553 -7.1553 -3.9238 -3.9238 -3.9237 -3.9237 0.9852 0.9852 0.9852 0.9852 1.5691 1.5691 1.5691 1.5691 2.2930 2.2930 2.2930 2.2930 3.5108 3.5108 3.5109 3.5109 3.8053 3.8053 3.8053 3.8053 4.7160 4.7160 4.7160 4.7160 5.9435 5.9435 5.9435 5.9435 7.3462 7.3462 7.3462 7.3462 k = 0.4880-0.5179 0.5221 ( 20420 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.0767 -8.0767 -8.0096 -8.0096 -7.1636 -7.1636 -7.1460 -7.1460 -3.9546 -3.9546 -3.8905 -3.8905 0.9301 0.9301 1.0400 1.0400 1.5505 1.5505 1.5890 1.5890 2.2794 2.2794 2.2983 2.2983 3.5083 3.5083 3.5106 3.5106 3.7806 3.7806 3.8243 3.8243 4.6577 4.6577 4.7703 4.7703 5.9014 5.9014 5.9995 5.9995 7.3227 7.3227 7.3770 7.3770 k = 0.4760-0.5298 0.5221 ( 20416 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.1111 -8.1111 -7.9771 -7.9771 -7.1709 -7.1709 -7.1358 -7.1358 -3.9829 -3.9829 -3.8549 -3.8549 0.8749 0.8749 1.0944 1.0944 1.5337 1.5337 1.6095 1.6095 2.2574 2.2574 2.2960 2.2960 3.5024 3.5024 3.5081 3.5081 3.7507 3.7507 3.8367 3.8367 4.5991 4.5991 4.8171 4.8171 5.8762 5.8762 6.0665 6.0665 7.3078 7.3078 7.4129 7.4129 k = 0.4640-0.5416 0.5221 ( 20416 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.1460 -8.1460 -7.9452 -7.9452 -7.1770 -7.1770 -7.1247 -7.1247 -4.0085 -4.0085 -3.8170 -3.8170 0.8197 0.8197 1.1483 1.1483 1.5189 1.5189 1.6296 1.6296 2.2270 2.2270 2.2874 2.2874 3.4925 3.4925 3.5036 3.5036 3.7164 3.7164 3.8410 3.8410 4.5434 4.5434 4.8531 4.8531 5.8710 5.8710 6.1421 6.1421 7.3019 7.3019 7.4503 7.4503 k = 0.4520-0.5535 0.5221 ( 20420 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.1814 -8.1814 -7.9141 -7.9141 -7.1820 -7.1820 -7.1129 -7.1129 -4.0313 -4.0313 -3.7770 -3.7770 0.7645 0.7645 1.2016 1.2016 1.5065 1.5065 1.6482 1.6482 2.1886 2.1886 2.2744 2.2744 3.4781 3.4781 3.4968 3.4968 3.6782 3.6782 3.8356 3.8356 4.4939 4.4939 4.8765 4.8765 5.8875 5.8875 6.2246 6.2246 7.3043 7.3043 7.4845 7.4845 k = 0.4400-0.5654 0.5221 ( 20423 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.2170 -8.2170 -7.8837 -7.8837 -7.1858 -7.1858 -7.1006 -7.1006 -4.0514 -4.0514 -3.7351 -3.7351 0.7096 0.7096 1.2538 1.2538 1.4966 1.4966 1.6634 1.6634 2.1427 2.1427 2.2594 2.2594 3.4586 3.4586 3.4865 3.4865 3.6379 3.6379 3.8191 3.8191 4.4532 4.4532 4.8872 4.8872 5.9257 5.9257 6.3126 6.3126 7.3133 7.3133 7.5129 7.5129 k = 0.4280-0.5772 0.5221 ( 20426 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.2528 -8.2528 -7.8540 -7.8540 -7.1885 -7.1885 -7.0878 -7.0878 -4.0684 -4.0684 -3.6911 -3.6911 0.6550 0.6550 1.3046 1.3046 1.4893 1.4893 1.6735 1.6735 2.0901 2.0901 2.2455 2.2455 3.4335 3.4335 3.4693 3.4693 3.5994 3.5994 3.7908 3.7908 4.4226 4.4226 4.8866 4.8866 5.9837 5.9837 6.4052 6.4052 7.3261 7.3261 7.5380 7.5380 k = 0.4160-0.5891 0.5221 ( 20430 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.2888 -8.2888 -7.8251 -7.8251 -7.1899 -7.1899 -7.0748 -7.0748 -4.0825 -4.0825 -3.6454 -3.6454 0.6009 0.6009 1.3527 1.3527 1.4849 1.4849 1.6768 1.6768 2.0317 2.0317 2.2357 2.2357 3.4015 3.4015 3.4403 3.4403 3.5686 3.5686 3.7515 3.7515 4.4021 4.4021 4.8776 4.8776 6.0584 6.0584 6.5016 6.5016 7.3391 7.3391 7.5659 7.5659 k = 0.4040-0.6009 0.5221 ( 20418 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.3248 -8.3248 -7.7969 -7.7969 -7.1903 -7.1903 -7.0617 -7.0617 -4.0935 -4.0935 -3.5980 -3.5980 0.5474 0.5474 1.3956 1.3956 1.4837 1.4837 1.6732 1.6732 1.9684 1.9684 2.2328 2.2328 3.3606 3.3606 3.3986 3.3986 3.5486 3.5486 3.7036 3.7036 4.3902 4.3902 4.8627 4.8627 6.1466 6.1466 6.6014 6.6014 7.3495 7.3495 7.6009 7.6009 k = 0.3920-0.6128 0.5221 ( 20409 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.3608 -8.3608 -7.7694 -7.7694 -7.1895 -7.1895 -7.0486 -7.0486 -4.1014 -4.1014 -3.5490 -3.5490 0.4945 0.4945 1.4282 1.4282 1.4863 1.4863 1.6664 1.6664 1.9012 1.9012 2.2381 2.2381 3.3076 3.3076 3.3500 3.3500 3.5366 3.5366 3.6502 3.6502 4.3850 4.3850 4.8442 4.8442 6.2453 6.2453 6.7040 6.7040 7.3564 7.3564 7.6436 7.6436 k = 0.3800-0.6247 0.5221 ( 20407 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.3966 -8.3966 -7.7425 -7.7425 -7.1877 -7.1877 -7.0357 -7.0357 -4.1061 -4.1061 -3.4985 -3.4985 0.4424 0.4424 1.4447 1.4447 1.4885 1.4885 1.6659 1.6659 1.8316 1.8316 2.2515 2.2515 3.2429 3.2429 3.2979 3.2979 3.5287 3.5287 3.5947 3.5947 4.3843 4.3843 4.8236 4.8236 6.3519 6.3519 6.8089 6.8089 7.3609 7.3609 7.6909 7.6909 k = 0.3680-0.6365 0.5221 ( 20410 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4322 -8.4322 -7.7162 -7.7162 -7.1848 -7.1848 -7.0233 -7.0233 -4.1076 -4.1076 -3.4465 -3.4465 0.3911 0.3911 1.4430 1.4430 1.4820 1.4820 1.6811 1.6811 1.7629 1.7629 2.2715 2.2715 3.1704 3.1704 3.2416 3.2416 3.5212 3.5212 3.5412 3.5412 4.3865 4.3865 4.8021 4.8021 6.4644 6.4644 6.9153 6.9153 7.3653 7.3653 7.7391 7.7391 k = 0.3560-0.6484 0.5221 ( 20406 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4674 -8.4674 -7.6905 -7.6905 -7.1809 -7.1809 -7.0113 -7.0113 -4.1059 -4.1059 -3.3933 -3.3933 0.3409 0.3409 1.4157 1.4157 1.4749 1.4749 1.6765 1.6765 1.7326 1.7326 2.2955 2.2955 3.0931 3.0931 3.1805 3.1805 3.4839 3.4839 3.5207 3.5207 4.3903 4.3903 4.7801 4.7801 6.5806 6.5806 7.0212 7.0212 7.3728 7.3728 7.7855 7.7855 k = 0.6318-0.3758 0.0058 ( 20450 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4796 -8.4796 -7.5541 -7.5541 -7.2719 -7.2719 -6.9782 -6.9782 -4.5637 -4.5637 -3.0853 -3.0853 0.4955 0.4955 0.8997 0.8997 1.7809 1.7809 1.9352 1.9352 2.0987 2.0987 2.4779 2.4779 2.5891 2.5891 3.1098 3.1098 3.7611 3.7611 3.9099 3.9099 4.2751 4.2751 4.8101 4.8101 6.3623 6.3623 6.7702 6.7702 7.1488 7.1488 7.4432 7.4432 k = 0.6246-0.3830-0.0081 ( 20445 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4706 -8.4706 -7.5616 -7.5616 -7.2671 -7.2671 -6.9803 -6.9803 -4.5754 -4.5754 -3.1164 -3.1164 0.4982 0.4982 0.9433 0.9433 1.7580 1.7580 1.9280 1.9280 2.1248 2.1248 2.5071 2.5071 2.6086 2.6086 3.1612 3.1612 3.7539 3.7539 3.9030 3.9030 4.2962 4.2962 4.8528 4.8528 6.3358 6.3358 6.7122 6.7122 7.1026 7.1026 7.3840 7.3840 k = 0.6173-0.3902-0.0220 ( 20455 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4621 -8.4621 -7.5681 -7.5681 -7.2623 -7.2623 -6.9829 -6.9829 -4.5860 -4.5860 -3.1462 -3.1462 0.4981 0.4981 0.9886 0.9886 1.7259 1.7259 1.9242 1.9242 2.1590 2.1590 2.5335 2.5335 2.6325 2.6325 3.2086 3.2086 3.7462 3.7462 3.8950 3.8950 4.3157 4.3157 4.8909 4.8909 6.3069 6.3069 6.6547 6.6547 7.0646 7.0646 7.3326 7.3326 k = 0.6101-0.3973-0.0359 ( 20462 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4541 -8.4541 -7.5739 -7.5739 -7.2575 -7.2575 -6.9860 -6.9860 -4.5955 -4.5955 -3.1746 -3.1746 0.4955 0.4955 1.0358 1.0358 1.6881 1.6881 1.9237 1.9237 2.1991 2.1991 2.5562 2.5562 2.6594 2.6594 3.2511 3.2511 3.7390 3.7390 3.8860 3.8860 4.3331 4.3331 4.9242 4.9242 6.2758 6.2758 6.5978 6.5978 7.0350 7.0350 7.2892 7.2892 k = 0.6028-0.4045-0.0498 ( 20453 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4466 -8.4466 -7.5788 -7.5788 -7.2530 -7.2530 -6.9896 -6.9896 -4.6038 -4.6038 -3.2016 -3.2016 0.4907 0.4907 1.0849 1.0849 1.6471 1.6471 1.9262 1.9262 2.2430 2.2430 2.5756 2.5756 2.6875 2.6875 3.2879 3.2879 3.7332 3.7332 3.8762 3.8762 4.3484 4.3484 4.9532 4.9532 6.2430 6.2430 6.5414 6.5414 7.0133 7.0133 7.2536 7.2536 k = 0.5955-0.4117-0.0637 ( 20437 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4395 -8.4395 -7.5829 -7.5829 -7.2488 -7.2488 -6.9936 -6.9936 -4.6108 -4.6108 -3.2271 -3.2271 0.4838 0.4838 1.1359 1.1359 1.6048 1.6048 1.9311 1.9311 2.2891 2.2891 2.5927 2.5927 2.7149 2.7149 3.3181 3.3181 3.7297 3.7297 3.8660 3.8660 4.3612 4.3612 4.9782 4.9782 6.2093 6.2093 6.4861 6.4861 6.9987 6.9987 7.2254 7.2254 k = 0.5883-0.4189-0.0776 ( 20426 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4329 -8.4329 -7.5862 -7.5862 -7.2451 -7.2451 -6.9980 -6.9980 -4.6167 -4.6167 -3.2509 -3.2509 0.4754 0.4754 1.1888 1.1888 1.5626 1.5626 1.9379 1.9379 2.3357 2.3357 2.6080 2.6080 2.7402 2.7402 3.3406 3.3406 3.7291 3.7291 3.8561 3.8561 4.3715 4.3715 4.9995 4.9995 6.1756 6.1756 6.4325 6.4325 6.9901 6.9901 7.2039 7.2039 k = 0.5810-0.4260-0.0915 ( 20439 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4266 -8.4266 -7.5888 -7.5888 -7.2419 -7.2419 -7.0028 -7.0028 -4.6213 -4.6213 -3.2729 -3.2729 0.4657 0.4657 1.2434 1.2434 1.5215 1.5215 1.9462 1.9462 2.3808 2.3808 2.6223 2.6223 2.7631 2.7631 3.3542 3.3542 3.7322 3.7322 3.8475 3.8475 4.3792 4.3792 5.0175 5.0175 6.1428 6.1428 6.3810 6.3810 6.9864 6.9864 7.1885 7.1885 k = 0.5738-0.4332-0.1054 ( 20441 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4207 -8.4207 -7.5906 -7.5906 -7.2393 -7.2393 -7.0080 -7.0080 -4.6247 -4.6247 -3.2932 -3.2932 0.4550 0.4550 1.2996 1.2996 1.4822 1.4822 1.9554 1.9554 2.4224 2.4224 2.6360 2.6360 2.7841 2.7841 3.3578 3.3578 3.7392 3.7392 3.8412 3.8412 4.3841 4.3841 5.0327 5.0327 6.1118 6.1118 6.3322 6.3322 6.9862 6.9862 7.1783 7.1783 k = 0.5665-0.4404-0.1193 ( 20443 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4152 -8.4152 -7.5917 -7.5917 -7.2374 -7.2374 -7.0135 -7.0135 -4.6268 -4.6268 -3.3117 -3.3117 0.4439 0.4439 1.3569 1.3569 1.4456 1.4456 1.9649 1.9649 2.4577 2.4577 2.6489 2.6489 2.8052 2.8052 3.3505 3.3505 3.7503 3.7503 3.8378 3.8378 4.3865 4.3865 5.0453 5.0453 6.0834 6.0834 6.2865 6.2865 6.9887 6.9887 7.1726 7.1726 k = 0.5592-0.4475-0.1332 ( 20434 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4099 -8.4099 -7.5922 -7.5922 -7.2361 -7.2361 -7.0192 -7.0192 -4.6276 -4.6276 -3.3284 -3.3284 0.4325 0.4325 1.4021 1.4021 1.4250 1.4250 1.9743 1.9743 2.4844 2.4844 2.6600 2.6600 2.8294 2.8294 3.3324 3.3324 3.7653 3.7653 3.8378 3.8378 4.3862 4.3862 5.0557 5.0557 6.0582 6.0582 6.2439 6.2439 6.9929 6.9929 7.1705 7.1705 k = 0.5520-0.4547-0.1471 ( 20432 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4050 -8.4050 -7.5922 -7.5922 -7.2355 -7.2355 -7.0252 -7.0252 -4.6271 -4.6271 -3.3434 -3.3434 0.4211 0.4211 1.3769 1.3769 1.4790 1.4790 1.9832 1.9832 2.5011 2.5011 2.6673 2.6673 2.8599 2.8599 3.3042 3.3042 3.7834 3.7834 3.8407 3.8407 4.3836 4.3836 5.0642 5.0642 6.0367 6.0367 6.2048 6.2048 6.9985 6.9985 7.1708 7.1708 k = 0.5447-0.4619-0.1609 ( 20445 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4004 -8.4004 -7.5916 -7.5916 -7.2356 -7.2356 -7.0313 -7.0313 -4.6252 -4.6252 -3.3567 -3.3567 0.4100 0.4100 1.3493 1.3493 1.5395 1.5395 1.9911 1.9911 2.5080 2.5080 2.6691 2.6691 2.8981 2.8981 3.2672 3.2672 3.8039 3.8039 3.8459 3.8459 4.3789 4.3789 5.0710 5.0710 6.0191 6.0191 6.1692 6.1692 7.0055 7.0055 7.1716 7.1716 k = 0.5375-0.4691-0.1748 ( 20442 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.3962 -8.3962 -7.5905 -7.5905 -7.2364 -7.2364 -7.0375 -7.0375 -4.6220 -4.6220 -3.3683 -3.3683 0.3994 0.3994 1.3248 1.3248 1.6007 1.6007 1.9977 1.9977 2.5060 2.5060 2.6655 2.6655 2.9433 2.9433 3.2232 3.2232 3.8254 3.8254 3.8525 3.8525 4.3724 4.3724 5.0764 5.0764 6.0050 6.0050 6.1373 6.1373 7.0143 7.0143 7.1697 7.1697 k = 0.5302-0.4762-0.1887 ( 20437 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.3923 -8.3923 -7.5891 -7.5891 -7.2377 -7.2377 -7.0437 -7.0437 -4.6175 -4.6175 -3.3783 -3.3783 0.3895 0.3895 1.3041 1.3041 1.6616 1.6616 2.0029 2.0029 2.4962 2.4962 2.6575 2.6575 2.9934 2.9934 3.1740 3.1740 3.8464 3.8464 3.8600 3.8600 4.3647 4.3647 5.0806 5.0806 5.9938 5.9938 6.1099 6.1099 7.0254 7.0254 7.1612 7.1612 k = 0.5229-0.4834-0.2026 ( 20432 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.3888 -8.3888 -7.5875 -7.5875 -7.2396 -7.2396 -7.0499 -7.0499 -4.6116 -4.6116 -3.3869 -3.3869 0.3804 0.3804 1.2874 1.2874 1.7214 1.7214 2.0065 2.0065 2.4797 2.4797 2.6463 2.6463 3.0462 3.0462 3.1217 3.1217 3.8618 3.8618 3.8714 3.8714 4.3564 4.3564 5.0838 5.0838 5.9835 5.9835 6.0885 6.0885 7.0390 7.0390 7.1434 7.1434 k = 0.5157-0.4906-0.2165 ( 20428 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.3856 -8.3856 -7.5857 -7.5857 -7.2419 -7.2419 -7.0558 -7.0558 -4.6043 -4.6043 -3.3941 -3.3941 0.3722 0.3722 1.2747 1.2747 1.7788 1.7788 2.0084 2.0084 2.4576 2.4576 2.6328 2.6328 3.0662 3.0662 3.1020 3.1020 3.8687 3.8687 3.8876 3.8876 4.3483 4.3483 5.0861 5.0861 5.9718 5.9718 6.0757 6.0757 7.0534 7.0534 7.1193 7.1193 k = 0.5084-0.4978-0.2304 ( 20442 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.3830 -8.3830 -7.5838 -7.5838 -7.2445 -7.2445 -7.0615 -7.0615 -4.5956 -4.5956 -3.4001 -3.4001 0.3650 0.3650 1.2663 1.2663 1.8322 1.8322 2.0092 2.0092 2.4308 2.4308 2.6171 2.6171 3.0139 3.0139 3.1550 3.1550 3.8727 3.8727 3.9014 3.9014 4.3411 4.3411 5.0874 5.0874 5.9569 5.9569 6.0731 6.0731 7.0547 7.0547 7.1069 7.1069 k = 0.5012-0.5049-0.2443 ( 20456 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3808 -8.3808 -7.5821 -7.5821 -7.2473 -7.2473 -7.0668 -7.0668 -4.5855 -4.5855 -3.4050 -3.4050 0.3589 0.3589 1.2623 1.2623 1.8786 1.8786 2.0100 2.0100 2.4003 2.4003 2.5994 2.5994 2.9640 2.9640 3.2072 3.2072 3.8744 3.8744 3.9107 3.9107 4.3356 4.3356 5.0874 5.0874 5.9396 5.9396 6.0804 6.0804 7.0288 7.0288 7.1247 7.1247 k = 0.4939-0.5121-0.2582 ( 20448 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3791 -8.3791 -7.5805 -7.5805 -7.2501 -7.2501 -7.0716 -7.0716 -4.5740 -4.5740 -3.4089 -3.4089 0.3538 0.3538 1.2627 1.2627 1.9129 1.9129 2.0139 2.0139 2.3669 2.3669 2.5797 2.5797 2.9198 2.9198 3.2570 3.2570 3.8737 3.8737 3.9148 3.9148 4.3324 4.3324 5.0857 5.0857 5.9222 5.9222 6.0958 6.0958 6.9959 6.9959 7.1554 7.1554 k = 0.4939-0.5121-0.2582 ( 20448 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3791 -8.3791 -7.5805 -7.5805 -7.2501 -7.2501 -7.0716 -7.0716 -4.5740 -4.5740 -3.4089 -3.4089 0.3538 0.3538 1.2627 1.2627 1.9129 1.9129 2.0139 2.0139 2.3669 2.3669 2.5797 2.5797 2.9198 2.9198 3.2570 3.2570 3.8737 3.8737 3.9148 3.9148 4.3324 4.3324 5.0857 5.0857 5.9222 5.9222 6.0958 6.0958 6.9959 6.9959 7.1554 7.1554 k = 0.4943-0.5117-0.2410 ( 20452 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.3925 -8.3925 -7.5541 -7.5541 -7.2537 -7.2537 -7.0693 -7.0693 -4.6086 -4.6086 -3.3889 -3.3889 0.3460 0.3460 1.2779 1.2779 1.8688 1.8688 1.9989 1.9989 2.4351 2.4351 2.6131 2.6131 2.9507 2.9507 3.1882 3.1882 3.8811 3.8811 3.9179 3.9179 4.3141 4.3141 5.1096 5.1096 5.9253 5.9253 6.1095 6.1095 7.0101 7.0101 7.1198 7.1198 k = 0.4947-0.5113-0.2238 ( 20441 PWs) bands (ev): -40.7514 -40.7514 -40.7514 -40.7514 -8.4051 -8.4051 -7.5284 -7.5284 -7.2570 -7.2570 -7.0675 -7.0675 -4.6417 -4.6417 -3.3705 -3.3705 0.3415 0.3415 1.2976 1.2976 1.8163 1.8163 1.9868 1.9868 2.4891 2.4891 2.6560 2.6560 2.9872 2.9872 3.1178 3.1178 3.8878 3.8878 3.9197 3.9197 4.3004 4.3004 5.1342 5.1342 5.9285 5.9285 6.1221 6.1221 7.0198 7.0198 7.0843 7.0843 k = 0.4951-0.5109-0.2065 ( 20434 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4167 -8.4167 -7.5035 -7.5035 -7.2601 -7.2601 -7.0662 -7.0662 -4.6731 -4.6731 -3.3536 -3.3536 0.3403 0.3403 1.3219 1.3219 1.7593 1.7593 1.9763 1.9763 2.5275 2.5275 2.7070 2.7070 3.0260 3.0260 3.0493 3.0493 3.8938 3.8938 3.9200 3.9200 4.2921 4.2921 5.1596 5.1596 5.9319 5.9319 6.1332 6.1332 7.0143 7.0143 7.0565 7.0565 k = 0.4955-0.5105-0.1893 ( 20430 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4275 -8.4275 -7.4795 -7.4795 -7.2628 -7.2628 -7.0654 -7.0654 -4.7028 -4.7028 -3.3383 -3.3383 0.3421 0.3421 1.3505 1.3505 1.7000 1.7000 1.9669 1.9669 2.5531 2.5531 2.7571 2.7571 2.9841 2.9841 3.0700 3.0700 3.8988 3.8988 3.9188 3.9188 4.2900 4.2900 5.1856 5.1856 5.9353 5.9353 6.1423 6.1423 6.9837 6.9837 7.0437 7.0437 k = 0.4959-0.5101-0.1721 ( 20434 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4374 -8.4374 -7.4566 -7.4566 -7.2654 -7.2654 -7.0652 -7.0652 -4.7304 -4.7304 -3.3244 -3.3244 0.3467 0.3467 1.3835 1.3835 1.6404 1.6404 1.9583 1.9583 2.5685 2.5685 2.7856 2.7856 2.9455 2.9455 3.1120 3.1120 3.9025 3.9025 3.9164 3.9164 4.2942 4.2942 5.2120 5.2120 5.9385 5.9385 6.1490 6.1490 6.9432 6.9432 7.0295 7.0295 k = 0.4963-0.5097-0.1549 ( 20446 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4464 -8.4464 -7.4349 -7.4349 -7.2676 -7.2676 -7.0654 -7.0654 -4.7560 -4.7560 -3.3120 -3.3120 0.3538 0.3538 1.4206 1.4206 1.5816 1.5816 1.9504 1.9504 2.5723 2.5723 2.7693 2.7693 2.9556 2.9556 3.1533 3.1533 3.9043 3.9043 3.9136 3.9136 4.3049 4.3049 5.2384 5.2384 5.9413 5.9413 6.1531 6.1531 6.9007 6.9007 7.0078 7.0078 k = 0.4967-0.5093-0.1377 ( 20447 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4545 -8.4545 -7.4147 -7.4147 -7.2697 -7.2697 -7.0661 -7.0661 -4.7793 -4.7793 -3.3010 -3.3010 0.3629 0.3629 1.4614 1.4614 1.5251 1.5251 1.9433 1.9433 2.5575 2.5575 2.7354 2.7354 2.9938 2.9938 3.1928 3.1928 3.9028 3.9028 3.9122 3.9122 4.3213 4.3213 5.2646 5.2646 5.9433 5.9433 6.1546 6.1546 6.8585 6.8585 6.9802 6.9802 k = 0.4972-0.5089-0.1205 ( 20453 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4616 -8.4616 -7.3960 -7.3960 -7.2715 -7.2715 -7.0671 -7.0671 -4.8002 -4.8002 -3.2915 -3.2915 0.3736 0.3736 1.4705 1.4705 1.5070 1.5070 1.9370 1.9370 2.5179 2.5179 2.7144 2.7144 3.0362 3.0362 3.2295 3.2295 3.8988 3.8988 3.9120 3.9120 4.3426 4.3426 5.2898 5.2898 5.9439 5.9439 6.1542 6.1542 6.8180 6.8180 6.9499 6.9499 k = 0.4976-0.5085-0.1033 ( 20455 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4678 -8.4678 -7.3790 -7.3790 -7.2730 -7.2730 -7.0685 -7.0685 -4.8186 -4.8186 -3.2833 -3.2833 0.3853 0.3853 1.4213 1.4213 1.5543 1.5543 1.9314 1.9314 2.4592 2.4592 2.7084 2.7084 3.0753 3.0753 3.2629 3.2629 3.8941 3.8941 3.9118 3.9118 4.3674 4.3674 5.3136 5.3136 5.9424 5.9424 6.1529 6.1529 6.7799 6.7799 6.9198 6.9198 k = 0.4980-0.5081-0.0861 ( 20454 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4730 -8.4730 -7.3641 -7.3641 -7.2743 -7.2743 -7.0700 -7.0700 -4.8344 -4.8344 -3.2764 -3.2764 0.3973 0.3973 1.3768 1.3768 1.6044 1.6044 1.9268 1.9268 2.3920 2.3920 2.7097 2.7097 3.1089 3.1089 3.2923 3.2923 3.8896 3.8896 3.9111 3.9111 4.3939 4.3939 5.3351 5.3351 5.9385 5.9385 6.1518 6.1518 6.7450 6.7450 6.8921 6.8921 k = 0.4984-0.5077-0.0688 ( 20460 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4773 -8.4773 -7.3514 -7.3514 -7.2754 -7.2754 -7.0716 -7.0716 -4.8475 -4.8475 -3.2708 -3.2708 0.4089 0.4089 1.3384 1.3384 1.6560 1.6560 1.9229 1.9229 2.3231 2.3231 2.7135 2.7135 3.1362 3.1362 3.3171 3.3171 3.8857 3.8857 3.9100 3.9100 4.4200 4.4200 5.3536 5.3536 5.9321 5.9321 6.1521 6.1521 6.7140 6.7140 6.8684 6.8684 k = 0.4988-0.5073-0.0516 ( 20464 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4807 -8.4807 -7.3412 -7.3412 -7.2763 -7.2763 -7.0731 -7.0731 -4.8578 -4.8578 -3.2665 -3.2665 0.4192 0.4192 1.3070 1.3070 1.7069 1.7069 1.9200 1.9200 2.2571 2.2571 2.7177 2.7177 3.1572 3.1572 3.3370 3.3370 3.8827 3.8827 3.9088 3.9088 4.4437 4.4437 5.3687 5.3687 5.9242 5.9242 6.1538 6.1538 6.6875 6.6875 6.8497 6.8497 k = 0.4992-0.5069-0.0344 ( 20467 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4831 -8.4831 -7.3337 -7.3337 -7.2769 -7.2769 -7.0743 -7.0743 -4.8652 -4.8652 -3.2635 -3.2635 0.4273 0.4273 1.2838 1.2838 1.7537 1.7537 1.9181 1.9181 2.1989 2.1989 2.7212 2.7212 3.1719 3.1719 3.3515 3.3515 3.8805 3.8805 3.9077 3.9077 4.4626 4.4626 5.3798 5.3798 5.9166 5.9166 6.1565 6.1565 6.6670 6.6670 6.8363 6.8363 k = 0.4996-0.5065-0.0172 ( 20463 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4845 -8.4845 -7.3291 -7.3291 -7.2773 -7.2773 -7.0751 -7.0751 -4.8696 -4.8696 -3.2616 -3.2616 0.4325 0.4325 1.2694 1.2694 1.7893 1.7893 1.9172 1.9172 2.1560 2.1560 2.7234 2.7234 3.1806 3.1806 3.3603 3.3603 3.8791 3.8791 3.9070 3.9070 4.4748 4.4748 5.3865 5.3865 5.9111 5.9111 6.1588 6.1588 6.6539 6.6539 6.8284 6.8284 k = 0.5000-0.5061 0.0000 ( 20466 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4850 -8.4850 -7.3276 -7.3276 -7.2774 -7.2774 -7.0753 -7.0753 -4.8711 -4.8711 -3.2610 -3.2610 0.4343 0.4343 1.2646 1.2646 1.8032 1.8032 1.9170 1.9170 2.1395 2.1395 2.7242 2.7242 3.1835 3.1835 3.3633 3.3633 3.8787 3.8787 3.9067 3.9067 4.4790 4.4790 5.3888 5.3888 5.9090 5.9090 6.1597 6.1597 6.6493 6.6493 6.8258 6.8258 k = 0.5000-0.5061 0.0000 ( 20466 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4850 -8.4850 -7.3276 -7.3276 -7.2774 -7.2774 -7.0753 -7.0753 -4.8711 -4.8711 -3.2610 -3.2610 0.4343 0.4343 1.2646 1.2646 1.8032 1.8032 1.9170 1.9170 2.1395 2.1395 2.7242 2.7242 3.1835 3.1835 3.3633 3.3633 3.8787 3.8787 3.9067 3.9067 4.4790 4.4790 5.3888 5.3888 5.9090 5.9090 6.1597 6.1597 6.6493 6.6493 6.8258 6.8258 k = 0.4875-0.4934-0.0000 ( 20460 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4862 -8.4862 -7.3271 -7.3271 -7.2770 -7.2770 -7.0753 -7.0753 -4.8693 -4.8693 -3.2595 -3.2595 0.4320 0.4320 1.2656 1.2656 1.8046 1.8046 1.9127 1.9127 2.1416 2.1416 2.7197 2.7197 3.1783 3.1783 3.3620 3.3620 3.8792 3.8792 3.9029 3.9029 4.4732 4.4732 5.3834 5.3834 5.9149 5.9149 6.1682 6.1682 6.6564 6.6564 6.8284 6.8284 k = 0.4750-0.4808-0.0000 ( 20454 PWs) bands (ev): -40.7514 -40.7514 -40.7513 -40.7513 -8.4898 -8.4898 -7.3258 -7.3258 -7.2756 -7.2756 -7.0750 -7.0750 -4.8640 -4.8640 -3.2550 -3.2550 0.4251 0.4251 1.2685 1.2685 1.8087 1.8087 1.9002 1.9002 2.1478 2.1478 2.7065 2.7065 3.1631 3.1631 3.3577 3.3577 3.8798 3.8798 3.8925 3.8925 4.4563 4.4563 5.3671 5.3671 5.9322 5.9322 6.1935 6.1935 6.6773 6.6773 6.8363 6.8363 k = 0.4625-0.4681 0.0000 ( 20454 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.4958 -8.4958 -7.3236 -7.3236 -7.2734 -7.2734 -7.0746 -7.0746 -4.8552 -4.8552 -3.2476 -3.2476 0.4139 0.4139 1.2734 1.2734 1.8154 1.8154 1.8799 1.8799 2.1572 2.1572 2.6853 2.6853 3.1384 3.1384 3.3500 3.3500 3.8701 3.8701 3.8862 3.8862 4.4301 4.4301 5.3408 5.3408 5.9598 5.9598 6.2350 6.2350 6.7109 6.7109 6.8502 6.8502 k = 0.4500-0.4555-0.0000 ( 20456 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.5040 -8.5040 -7.3205 -7.3205 -7.2703 -7.2703 -7.0741 -7.0741 -4.8429 -4.8429 -3.2372 -3.2372 0.3985 0.3985 1.2802 1.2802 1.8233 1.8233 1.8535 1.8535 2.1687 2.1687 2.6575 2.6575 3.1048 3.1048 3.3381 3.3381 3.8457 3.8457 3.8889 3.8889 4.3969 4.3969 5.3057 5.3057 5.9964 5.9964 6.2916 6.2916 6.7555 6.7555 6.8714 6.8714 k = 0.4375-0.4428 0.0000 ( 20448 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.5144 -8.5144 -7.3166 -7.3166 -7.2663 -7.2663 -7.0735 -7.0735 -4.8272 -4.8272 -3.2240 -3.2240 0.3793 0.3793 1.2889 1.2889 1.8117 1.8117 1.8421 1.8421 2.1806 2.1806 2.6253 2.6253 3.0630 3.0630 3.3216 3.3216 3.8146 3.8146 3.8931 3.8931 4.3590 4.3590 5.2634 5.2634 6.0403 6.0403 6.3617 6.3617 6.8076 6.8076 6.9029 6.9029 k = 0.4250-0.4302 0.0000 ( 20446 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.5268 -8.5268 -7.3118 -7.3118 -7.2615 -7.2615 -7.0730 -7.0730 -4.8081 -4.8081 -3.2078 -3.2078 0.3567 0.3567 1.2995 1.2995 1.7722 1.7722 1.8545 1.8545 2.1898 2.1898 2.5918 2.5918 3.0137 3.0137 3.2999 3.2999 3.7784 3.7784 3.8979 3.8979 4.3188 4.3188 5.2159 5.2159 6.0897 6.0897 6.4433 6.4433 6.8615 6.8615 6.9497 6.9497 k = 0.4125-0.4175-0.0000 ( 20440 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.5410 -8.5410 -7.3062 -7.3062 -7.2558 -7.2558 -7.0726 -7.0726 -4.7856 -4.7856 -3.1890 -3.1890 0.3311 0.3311 1.3118 1.3118 1.7253 1.7253 1.8707 1.8707 2.1921 2.1921 2.5620 2.5620 2.9578 2.9578 3.2727 3.2727 3.7380 3.7380 3.9029 3.9029 4.2781 4.2781 5.1651 5.1651 6.1432 6.1432 6.5343 6.5343 6.9133 6.9133 7.0152 7.0152 k = 0.4000-0.4049 0.0000 ( 20446 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.5569 -8.5569 -7.2999 -7.2999 -7.2494 -7.2494 -7.0725 -7.0725 -4.7599 -4.7599 -3.1674 -3.1674 0.3031 0.3031 1.3257 1.3257 1.6732 1.6732 1.8887 1.8887 2.1819 2.1819 2.5418 2.5418 2.8961 2.8961 3.2398 3.2398 3.6943 3.6943 3.9078 3.9078 4.2383 4.2383 5.1127 5.1127 6.1990 6.1990 6.6324 6.6324 6.9661 6.9661 7.0962 7.0962 k = 0.3875-0.3922-0.0000 ( 20440 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.5744 -8.5744 -7.2928 -7.2928 -7.2421 -7.2421 -7.0725 -7.0725 -4.7309 -4.7309 -3.1432 -3.1432 0.2729 0.2729 1.3410 1.3410 1.6168 1.6168 1.9078 1.9078 2.1549 2.1549 2.5359 2.5359 2.8296 2.8296 3.2015 3.2015 3.6480 3.6480 3.9124 3.9124 4.2003 4.2003 5.0602 5.0602 6.2556 6.2556 6.7356 6.7356 7.0248 7.0248 7.1875 7.1875 k = 0.3750-0.3796 0.0000 ( 20442 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.5931 -8.5931 -7.2849 -7.2849 -7.2342 -7.2342 -7.0730 -7.0730 -4.6990 -4.6990 -3.1164 -3.1164 0.2410 0.2410 1.3574 1.3574 1.5569 1.5569 1.9273 1.9273 2.1111 2.1111 2.5449 2.5449 2.7597 2.7597 3.1580 3.1580 3.5998 3.5998 3.9164 3.9164 4.1648 4.1648 5.0085 5.0085 6.3117 6.3117 6.8418 6.8418 7.0926 7.0926 7.2854 7.2854 k = 0.3625-0.3669 0.0000 ( 20440 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.6129 -8.6129 -7.2764 -7.2764 -7.2256 -7.2256 -7.0738 -7.0738 -4.6640 -4.6640 -3.0872 -3.0872 0.2078 0.2078 1.3736 1.3736 1.4951 1.4951 1.9459 1.9459 2.0537 2.0537 2.5659 2.5659 2.6878 2.6878 3.1101 3.1101 3.5502 3.5502 3.9196 3.9196 4.1319 4.1319 4.9585 4.9585 6.3661 6.3661 6.9494 6.9494 7.1715 7.1715 7.3876 7.3876 k = 0.3500-0.3542-0.0000 ( 20452 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.6336 -8.6336 -7.2672 -7.2672 -7.2163 -7.2163 -7.0750 -7.0750 -4.6263 -4.6263 -3.0558 -3.0558 0.1736 0.1736 1.3835 1.3835 1.4379 1.4379 1.9610 1.9610 1.9880 1.9880 2.5937 2.5937 2.6173 2.6173 3.0586 3.0586 3.4999 3.4999 3.9220 3.9220 4.1017 4.1017 4.9107 4.9107 6.4181 6.4181 7.0574 7.0574 7.2620 7.2620 7.4918 7.4918 k = 0.3375-0.3416 0.0000 ( 20456 PWs) bands (ev): -40.7515 -40.7515 -40.7512 -40.7512 -8.6551 -8.6551 -7.2575 -7.2575 -7.2064 -7.2064 -7.0767 -7.0767 -4.5859 -4.5859 -3.0221 -3.0221 0.1387 0.1387 1.3474 1.3474 1.4250 1.4250 1.9119 1.9119 1.9757 1.9757 2.5454 2.5454 2.6304 2.6304 3.0051 3.0051 3.4493 3.4493 3.9233 3.9233 4.0739 4.0739 4.8654 4.8654 6.4671 6.4671 7.1656 7.1656 7.3632 7.3632 7.5959 7.5959 k = 0.3250-0.3289-0.0000 ( 20464 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.6772 -8.6772 -7.2472 -7.2472 -7.1960 -7.1960 -7.0789 -7.0789 -4.5431 -4.5431 -2.9863 -2.9863 0.1035 0.1035 1.2822 1.2822 1.4393 1.4393 1.8348 1.8348 1.9799 1.9799 2.4815 2.4815 2.6674 2.6674 2.9519 2.9519 3.3987 3.3987 3.9236 3.9236 4.0485 4.0485 4.8228 4.8228 6.5133 6.5133 7.2749 7.2749 7.4731 7.4731 7.6978 7.6978 k = 0.3125-0.3163 0.0000 ( 20458 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.6996 -8.6996 -7.2364 -7.2364 -7.1852 -7.1852 -7.0815 -7.0815 -4.4979 -4.4979 -2.9486 -2.9486 0.0682 0.0682 1.2129 1.2129 1.4550 1.4550 1.7551 1.7551 1.9736 1.9736 2.4263 2.4263 2.7046 2.7046 2.9024 2.9024 3.3486 3.3486 3.9227 3.9227 4.0250 4.0250 4.7826 4.7826 6.5567 6.5567 7.3862 7.3862 7.5887 7.5887 7.7957 7.7957 k = 0.3000-0.3036 0.0000 ( 20448 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.7222 -8.7222 -7.2252 -7.2252 -7.1739 -7.1739 -7.0845 -7.0845 -4.4507 -4.4507 -2.9090 -2.9090 0.0330 0.0330 1.1425 1.1425 1.4679 1.4679 1.6743 1.6743 1.9540 1.9540 2.3821 2.3821 2.7368 2.7368 2.8638 2.8638 3.2990 3.2990 3.9208 3.9208 4.0032 4.0032 4.7449 4.7449 6.5977 6.5977 7.5004 7.5004 7.7070 7.7070 7.8884 7.8884 k = 0.2875-0.2910-0.0000 ( 20452 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.7449 -8.7449 -7.2136 -7.2136 -7.1623 -7.1623 -7.0880 -7.0880 -4.4015 -4.4015 -2.8678 -2.8678 -0.0019 -0.0019 1.0718 1.0718 1.4743 1.4743 1.5944 1.5944 1.9216 1.9216 2.3480 2.3480 2.7509 2.7509 2.8521 2.8521 3.2504 3.2504 3.9179 3.9179 3.9828 3.9828 4.7094 4.7094 6.6368 6.6368 7.6177 7.6177 7.8238 7.8238 7.9770 7.9770 k = 0.2750-0.2783 0.0000 ( 20448 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.7676 -8.7676 -7.2017 -7.2017 -7.1504 -7.1504 -7.0918 -7.0918 -4.3508 -4.3508 -2.8251 -2.8251 -0.0362 -0.0362 1.0013 1.0013 1.4655 1.4655 1.5213 1.5213 1.8808 1.8808 2.3203 2.3203 2.7435 2.7435 2.8738 2.8738 3.2029 3.2029 3.9140 3.9140 3.9634 3.9634 4.6758 4.6758 6.6742 6.6742 7.7377 7.7377 7.9325 7.9325 8.0664 8.0664 k = 0.2625-0.2657-0.0000 ( 20440 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.7900 -8.7900 -7.1896 -7.1896 -7.1385 -7.1385 -7.0957 -7.0957 -4.2986 -4.2986 -2.7811 -2.7811 -0.0699 -0.0699 0.9315 0.9315 1.4151 1.4151 1.4780 1.4780 1.8379 1.8379 2.2947 2.2947 2.7361 2.7361 2.9099 2.9099 3.1568 3.1568 3.9091 3.9091 3.9449 3.9449 4.6439 4.6439 6.7102 6.7102 7.8599 7.8599 8.0242 8.0242 8.1653 8.1653 k = 0.2500-0.2530 0.0000 ( 20442 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.8121 -8.8121 -7.1773 -7.1773 -7.1270 -7.1270 -7.0994 -7.0994 -4.2453 -4.2453 -2.7358 -2.7358 -0.1028 -0.1028 0.8627 0.8627 1.3406 1.3406 1.4442 1.4442 1.7974 1.7974 2.2700 2.2700 2.7392 2.7392 2.9500 2.9500 3.1121 3.1121 3.9031 3.9031 3.9273 3.9273 4.6133 4.6133 6.7452 6.7452 7.9825 7.9825 8.0974 8.0974 8.2767 8.2767 k = 0.2375-0.2404-0.0000 ( 20454 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.8337 -8.8337 -7.1649 -7.1649 -7.1176 -7.1176 -7.1012 -7.1012 -4.1911 -4.1911 -2.6896 -2.6896 -0.1348 -0.1348 0.7953 0.7953 1.2641 1.2641 1.3980 1.3980 1.7599 1.7599 2.2484 2.2484 2.7542 2.7542 2.9907 2.9907 3.0692 3.0692 3.8956 3.8956 3.9109 3.9109 4.5837 4.5837 6.7793 6.7793 8.0984 8.0984 8.1641 8.1641 8.3953 8.3953 k = 0.2250-0.2277-0.0000 ( 20458 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.8548 -8.8548 -7.1525 -7.1525 -7.1156 -7.1156 -7.0957 -7.0957 -4.1363 -4.1363 -2.6426 -2.6426 -0.1657 -0.1657 0.7296 0.7296 1.1887 1.1887 1.3393 1.3393 1.7218 1.7218 2.2338 2.2338 2.7791 2.7791 3.0228 3.0228 3.0364 3.0364 3.8848 3.8848 3.8975 3.8975 4.5549 4.5549 6.8125 6.8125 8.1782 8.1782 8.2581 8.2581 8.5164 8.5164 k = 0.2125-0.2151 0.0000 ( 20458 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.8752 -8.8752 -7.1402 -7.1402 -7.1190 -7.1190 -7.0851 -7.0851 -4.0812 -4.0812 -2.5951 -2.5951 -0.1954 -0.1954 0.6659 0.6659 1.1154 1.1154 1.2718 1.2718 1.6790 1.6790 2.2295 2.2295 2.8116 2.8116 2.9873 2.9873 3.0722 3.0722 3.8698 3.8698 3.8879 3.8879 4.5266 4.5266 6.8450 6.8450 8.2262 8.2262 8.3770 8.3770 8.6373 8.6373 k = 0.2000-0.2024 0.0000 ( 20444 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.8949 -8.8949 -7.1282 -7.1282 -7.1235 -7.1235 -7.0734 -7.0734 -4.0262 -4.0262 -2.5472 -2.5472 -0.2239 -0.2239 0.6044 0.6044 1.0447 1.0447 1.1991 1.1991 1.6292 1.6292 2.2365 2.2365 2.8493 2.8493 2.9501 2.9501 3.1105 3.1105 3.8531 3.8531 3.8798 3.8798 4.4985 4.4985 6.8768 6.8768 8.2649 8.2649 8.4982 8.4982 8.7567 8.7567 k = 0.1875-0.1898 0.0000 ( 20446 PWs) bands (ev): -40.7516 -40.7516 -40.7511 -40.7511 -8.9138 -8.9138 -7.1289 -7.1289 -7.1158 -7.1158 -7.0615 -7.0615 -3.9715 -3.9715 -2.4993 -2.4993 -0.2510 -0.2510 0.5454 0.5454 0.9768 0.9768 1.1241 1.1241 1.5729 1.5729 2.2539 2.2539 2.8886 2.8886 2.9168 2.9168 3.1474 3.1474 3.8359 3.8359 3.8720 3.8720 4.4704 4.4704 6.9078 6.9078 8.2990 8.2990 8.6153 8.6153 8.8743 8.8743 k = 0.1750-0.1771-0.0000 ( 20442 PWs) bands (ev): -40.7516 -40.7516 -40.7511 -40.7511 -8.9317 -8.9317 -7.1339 -7.1339 -7.1042 -7.1042 -7.0499 -7.0499 -3.9175 -3.9175 -2.4516 -2.4516 -0.2768 -0.2768 0.4891 0.4891 0.9121 0.9121 1.0486 1.0486 1.5114 1.5114 2.2799 2.2799 2.8784 2.8784 2.9376 2.9376 3.1826 3.1826 3.8184 3.8184 3.8644 3.8644 4.4422 4.4422 6.9379 6.9379 8.3299 8.3299 8.7244 8.7244 8.9906 8.9906 k = 0.1625-0.1645-0.0000 ( 20442 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9487 -8.9487 -7.1390 -7.1390 -7.0929 -7.0929 -7.0385 -7.0385 -3.8646 -3.8646 -2.4045 -2.4045 -0.3010 -0.3010 0.4357 0.4357 0.8509 0.8509 0.9741 0.9741 1.4469 1.4469 2.3123 2.3123 2.8476 2.8476 2.9824 2.9824 3.2159 3.2159 3.8008 3.8008 3.8569 3.8569 4.4137 4.4137 6.9671 6.9671 8.3583 8.3583 8.8213 8.8213 9.1066 9.1066 k = 0.1500-0.1518 0.0000 ( 20442 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9647 -8.9647 -7.1440 -7.1440 -7.0820 -7.0820 -7.0276 -7.0276 -3.8132 -3.8132 -2.3583 -2.3583 -0.3238 -0.3238 0.3854 0.3854 0.7933 0.7933 0.9016 0.9016 1.3811 1.3811 2.3495 2.3495 2.8184 2.8184 3.0282 3.0282 3.2472 3.2472 3.7834 3.7834 3.8496 3.8496 4.3849 4.3849 6.9952 6.9952 8.3843 8.3843 8.9027 8.9027 9.2236 9.2236 k = 0.1375-0.1392 0.0000 ( 20444 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9795 -8.9795 -7.1488 -7.1488 -7.0717 -7.0717 -7.0172 -7.0172 -3.7636 -3.7636 -2.3133 -2.3133 -0.3449 -0.3449 0.3384 0.3384 0.7395 0.7395 0.8321 0.8321 1.3156 1.3156 2.3898 2.3898 2.7912 2.7912 3.0736 3.0736 3.2763 3.2763 3.7664 3.7664 3.8426 3.8426 4.3556 4.3556 7.0220 7.0220 8.4083 8.4083 8.9669 8.9669 9.3415 9.3415 k = 0.1250-0.1265 0.0000 ( 20442 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9933 -8.9933 -7.1534 -7.1534 -7.0620 -7.0620 -7.0074 -7.0074 -3.7163 -3.7163 -2.2699 -2.2699 -0.3645 -0.3645 0.2949 0.2949 0.6897 0.6897 0.7663 0.7663 1.2517 1.2517 2.4320 2.4320 2.7663 2.7663 3.1177 3.1177 3.3032 3.3032 3.7503 3.7503 3.8359 3.8359 4.3259 4.3259 7.0474 7.0474 8.4303 8.4303 9.0148 9.0148 9.4591 9.4591 k = 0.1125-0.1139-0.0000 ( 20454 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0058 -9.0058 -7.1576 -7.1576 -7.0530 -7.0530 -6.9983 -6.9983 -3.6718 -3.6718 -2.2287 -2.2287 -0.3823 -0.3823 0.2550 0.2550 0.6441 0.6441 0.7047 0.7047 1.1905 1.1905 2.4751 2.4751 2.7437 2.7437 3.1595 3.1595 3.3277 3.3277 3.7355 3.7355 3.8297 3.8297 4.2959 4.2959 7.0713 7.0713 8.4503 8.4503 9.0487 9.0487 9.5724 9.5724 k = 0.1000-0.1012 0.0000 ( 20436 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0171 -9.0171 -7.1615 -7.1615 -7.0447 -7.0447 -6.9900 -6.9900 -3.6303 -3.6303 -2.1899 -2.1899 -0.3984 -0.3984 0.2188 0.2188 0.6028 0.6028 0.6480 0.6480 1.1330 1.1330 2.5179 2.5179 2.7235 2.7235 3.1981 3.1981 3.3497 3.3497 3.7227 3.7227 3.8240 3.8240 4.2657 4.2657 7.0933 7.0933 8.4683 8.4683 9.0716 9.0716 9.6664 9.6664 k = 0.0875-0.0886-0.0000 ( 20433 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0272 -9.0272 -7.1651 -7.1651 -7.0372 -7.0372 -6.9824 -6.9824 -3.5925 -3.5925 -2.1542 -2.1542 -0.4127 -0.4127 0.1866 0.1866 0.5659 0.5659 0.5968 0.5968 1.0800 1.0800 2.5594 2.5594 2.7058 2.7058 3.2324 3.2324 3.3692 3.3692 3.7128 3.7128 3.8188 3.8188 4.2356 4.2356 7.1133 7.1133 8.4842 8.4842 9.0865 9.0865 9.7037 9.7037 k = 0.0750-0.0759 0.0000 ( 20433 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0360 -9.0360 -7.1683 -7.1683 -7.0306 -7.0306 -6.9758 -6.9758 -3.5586 -3.5586 -2.1219 -2.1219 -0.4253 -0.4253 0.1583 0.1583 0.5333 0.5333 0.5517 0.5517 1.0323 1.0323 2.5985 2.5985 2.6908 2.6908 3.2613 3.2613 3.3861 3.3861 3.7065 3.7065 3.8142 3.8142 4.2061 4.2061 7.1311 7.1311 8.4981 8.4981 9.0958 9.0958 9.7058 9.7058 k = 0.0625-0.0633 0.0000 ( 20435 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0435 -9.0435 -7.1710 -7.1710 -7.0249 -7.0249 -6.9700 -6.9700 -3.5291 -3.5291 -2.0936 -2.0936 -0.4359 -0.4359 0.1342 0.1342 0.5042 0.5042 0.5141 0.5141 0.9907 0.9907 2.6329 2.6329 2.6797 2.6797 3.2842 3.2842 3.4003 3.4003 3.7045 3.7045 3.8103 3.8103 4.1778 4.1778 7.1465 7.1465 8.5100 8.5100 9.1014 9.1014 9.6964 9.6964 k = 0.0500-0.0506 0.0000 ( 20439 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0496 -9.0496 -7.1732 -7.1732 -7.0202 -7.0202 -6.9653 -6.9653 -3.5044 -3.5044 -2.0697 -2.0697 -0.4447 -0.4447 0.1143 0.1143 0.4761 0.4761 0.4869 0.4869 0.9556 0.9556 2.6534 2.6534 2.6807 2.6807 3.3009 3.3009 3.4117 3.4117 3.7065 3.7065 3.8069 3.8069 4.1516 4.1516 7.1594 7.1594 8.5197 8.5197 9.1047 9.1047 9.6825 9.6825 k = 0.0375-0.0380 0.0000 ( 20437 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0544 -9.0544 -7.1750 -7.1750 -7.0165 -7.0165 -6.9615 -6.9615 -3.4849 -3.4849 -2.0507 -2.0507 -0.4516 -0.4516 0.0987 0.0987 0.4514 0.4514 0.4682 0.4682 0.9278 0.9278 2.6519 2.6519 2.7005 2.7005 3.3118 3.3118 3.4205 3.4205 3.7115 3.7115 3.8043 3.8043 4.1286 4.1286 7.1696 7.1696 8.5272 8.5272 9.1066 9.1066 9.6682 9.6682 k = 0.0250-0.0253 0.0000 ( 20439 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0579 -9.0579 -7.1763 -7.1763 -7.0139 -7.0139 -6.9588 -6.9588 -3.4707 -3.4707 -2.0368 -2.0368 -0.4565 -0.4565 0.0875 0.0875 0.4332 0.4332 0.4552 0.4552 0.9076 0.9076 2.6473 2.6473 2.7193 2.7193 3.3181 3.3181 3.4266 3.4266 3.7177 3.7177 3.8024 3.8024 4.1104 4.1104 7.1770 7.1770 8.5327 8.5327 9.1077 9.1077 9.6562 9.6562 k = 0.0125-0.0127 0.0000 ( 20443 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0599 -9.0599 -7.1771 -7.1771 -7.0123 -7.0123 -6.9572 -6.9572 -3.4621 -3.4621 -2.0283 -2.0283 -0.4595 -0.4595 0.0808 0.0808 0.4221 0.4221 0.4474 0.4474 0.8953 0.8953 2.6441 2.6441 2.7315 2.7315 3.3212 3.3212 3.4303 3.4303 3.7228 3.7228 3.8011 3.8011 4.0986 4.0986 7.1814 7.1814 8.5359 8.5359 9.1083 9.1083 9.6483 9.6483 k = 0.0000 0.0000 0.0000 ( 20453 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0606 -9.0606 -7.1773 -7.1773 -7.0117 -7.0117 -6.9567 -6.9567 -3.4592 -3.4592 -2.0255 -2.0255 -0.4605 -0.4605 0.0786 0.0786 0.4184 0.4184 0.4448 0.4448 0.8912 0.8912 2.6430 2.6430 2.7357 2.7357 3.3221 3.3221 3.4315 3.4315 3.7247 3.7247 3.8007 3.8007 4.0944 4.0944 7.1829 7.1829 8.5370 8.5370 9.1084 9.1084 9.6456 9.6456 k = 0.0000 0.0000 0.0000 ( 20453 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0606 -9.0606 -7.1773 -7.1773 -7.0117 -7.0117 -6.9567 -6.9567 -3.4592 -3.4592 -2.0255 -2.0255 -0.4605 -0.4605 0.0786 0.0786 0.4184 0.4184 0.4448 0.4448 0.8912 0.8912 2.6430 2.6430 2.7357 2.7357 3.3221 3.3221 3.4315 3.4315 3.7247 3.7247 3.8007 3.8007 4.0944 4.0944 7.1829 7.1829 8.5370 8.5370 9.1084 9.1084 9.6456 9.6456 k = 0.0156-0.0002-0.0081 ( 20450 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0597 -9.0597 -7.1802 -7.1802 -7.0101 -7.0101 -6.9569 -6.9569 -3.4601 -3.4601 -2.0283 -2.0283 -0.4590 -0.4590 0.0806 0.0806 0.3859 0.3859 0.4828 0.4828 0.8940 0.8940 2.6418 2.6418 2.7343 2.7343 3.3221 3.3221 3.4216 3.4216 3.7112 3.7112 3.8205 3.8205 4.0968 4.0968 7.1817 7.1817 8.5351 8.5351 9.1097 9.1097 9.6497 9.6497 k = 0.0312-0.0004-0.0161 ( 20451 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0571 -9.0571 -7.1886 -7.1886 -7.0054 -7.0054 -6.9574 -6.9574 -3.4627 -3.4627 -2.0368 -2.0368 -0.4545 -0.4545 0.0865 0.0865 0.3489 0.3489 0.5365 0.5365 0.9026 0.9026 2.6383 2.6383 2.7304 2.7304 3.3194 3.3194 3.3961 3.3961 3.6906 3.6906 3.8582 3.8582 4.1044 4.1044 7.1781 7.1781 8.5293 8.5293 9.1135 9.1135 9.6618 9.6618 k = 0.0469-0.0006-0.0242 ( 20445 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0526 -9.0526 -7.2015 -7.2015 -6.9987 -6.9987 -6.9583 -6.9583 -3.4670 -3.4670 -2.0508 -2.0508 -0.4470 -0.4470 0.0950 0.0950 0.3182 0.3182 0.5957 0.5957 0.9170 0.9170 2.6325 2.6325 2.7239 2.7239 3.3002 3.3002 3.3724 3.3724 3.6747 3.6747 3.8966 3.8966 4.1180 4.1180 7.1724 7.1724 8.5199 8.5199 9.1197 9.1197 9.6811 9.6811 k = 0.0625-0.0008-0.0323 ( 20446 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0464 -9.0464 -7.2183 -7.2183 -6.9907 -6.9907 -6.9596 -6.9596 -3.4727 -3.4727 -2.0699 -2.0699 -0.4366 -0.4366 0.1041 0.1041 0.2960 0.2960 0.6595 0.6595 0.9374 0.9374 2.6247 2.6247 2.7153 2.7153 3.2512 3.2512 3.3687 3.3687 3.6640 3.6640 3.9296 3.9296 4.1385 4.1385 7.1652 7.1652 8.5071 8.5071 9.1279 9.1279 9.7059 9.7059 k = 0.0781-0.0009-0.0403 ( 20453 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0384 -9.0384 -7.2379 -7.2379 -6.9823 -6.9823 -6.9611 -6.9611 -3.4796 -3.4796 -2.0938 -2.0938 -0.4233 -0.4233 0.1103 0.1103 0.2853 0.2853 0.7271 0.7271 0.9644 0.9644 2.6151 2.6151 2.7047 2.7047 3.1852 3.1852 3.3757 3.3757 3.6566 3.6566 3.9549 3.9549 4.1656 4.1656 7.1572 7.1572 8.4911 8.4911 9.1377 9.1377 9.7323 9.7323 k = 0.0938-0.0011-0.0484 ( 20463 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0286 -9.0286 -7.2600 -7.2600 -6.9741 -6.9741 -6.9628 -6.9628 -3.4875 -3.4875 -2.1222 -2.1222 -0.4070 -0.4070 0.1102 0.1102 0.2888 0.2888 0.7974 0.7974 0.9987 0.9987 2.6040 2.6040 2.6925 2.6925 3.1114 3.1114 3.3865 3.3865 3.6512 3.6512 3.9731 3.9731 4.1973 4.1973 7.1491 7.1491 8.4724 8.4724 9.1475 9.1475 9.7454 9.7454 k = 0.1094-0.0013-0.0565 ( 20460 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0171 -9.0171 -7.2842 -7.2842 -6.9684 -6.9684 -6.9627 -6.9627 -3.4960 -3.4960 -2.1544 -2.1544 -0.3880 -0.3880 0.1033 0.1033 0.3062 0.3062 0.8686 0.8686 1.0417 1.0417 2.5916 2.5916 2.6788 2.6788 3.0338 3.0338 3.3988 3.3988 3.6469 3.6469 3.9858 3.9858 4.2305 4.2305 7.1419 7.1419 8.4513 8.4513 9.1547 9.1547 9.6989 9.6989 k = 0.1250-0.0015-0.0645 ( 20460 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0039 -9.0039 -7.3102 -7.3102 -6.9692 -6.9692 -6.9570 -6.9570 -3.5049 -3.5049 -2.1900 -2.1900 -0.3662 -0.3662 0.0917 0.0917 0.3346 0.3346 0.9383 0.9383 1.0955 1.0955 2.5783 2.5783 2.6638 2.6638 2.9546 2.9546 3.4114 3.4114 3.6432 3.6432 3.9950 3.9950 4.2629 4.2629 7.1363 7.1363 8.4282 8.4282 9.1529 9.1529 9.6020 9.6020 k = 0.1406-0.0017-0.0726 ( 20455 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9889 -8.9889 -7.3377 -7.3377 -6.9717 -6.9717 -6.9505 -6.9505 -3.5138 -3.5138 -2.2286 -2.2286 -0.3417 -0.3417 0.0781 0.0781 0.3704 0.3704 1.0044 1.0044 1.1616 1.1616 2.5642 2.5642 2.6469 2.6469 2.8757 2.8757 3.4234 3.4234 3.6399 3.6399 4.0017 4.0017 4.2927 4.2927 7.1332 7.1332 8.4036 8.4036 9.1289 9.1289 9.5079 9.5079 k = 0.1562-0.0019-0.0807 ( 20457 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9723 -8.9723 -7.3668 -7.3668 -6.9747 -6.9747 -6.9447 -6.9447 -3.5223 -3.5223 -2.2696 -2.2696 -0.3148 -0.3148 0.0641 0.0641 0.4113 0.4113 1.0669 1.0669 1.2395 1.2395 2.5493 2.5493 2.6269 2.6269 2.8001 2.8001 3.4342 3.4342 3.6368 3.6368 4.0064 4.0064 4.3189 4.3189 7.1333 7.1333 8.3777 8.3777 9.0637 9.0637 9.4464 9.4464 k = 0.1719-0.0021-0.0888 ( 20457 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9540 -8.9540 -7.3973 -7.3973 -6.9780 -6.9780 -6.9398 -6.9398 -3.5301 -3.5301 -2.3126 -2.3126 -0.2855 -0.2855 0.0507 0.0507 0.4553 0.4553 1.1276 1.1276 1.3266 1.3266 2.5327 2.5327 2.6002 2.6002 2.7335 2.7335 3.4431 3.4431 3.6341 3.6341 4.0094 4.0094 4.3412 4.3412 7.1371 7.1371 8.3510 8.3510 8.9538 8.9538 9.4239 9.4239 k = 0.1875-0.0023-0.0968 ( 20456 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9340 -8.9340 -7.4290 -7.4290 -6.9814 -6.9814 -6.9357 -6.9357 -3.5371 -3.5371 -2.3572 -2.3572 -0.2542 -0.2542 0.0385 0.0385 0.5013 0.5013 1.1884 1.1884 1.4204 1.4204 2.5104 2.5104 2.5633 2.5633 2.6847 2.6847 3.4497 3.4497 3.6319 3.6319 4.0103 4.0103 4.3596 4.3596 7.1449 7.1449 8.3235 8.3235 8.8155 8.8155 9.4242 9.4242 k = 0.2031-0.0025-0.1049 ( 20450 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9124 -8.9124 -7.4621 -7.4621 -6.9850 -6.9850 -6.9324 -6.9324 -3.5428 -3.5428 -2.4029 -2.4029 -0.2213 -0.2213 0.0280 0.0280 0.5481 0.5481 1.2505 1.2505 1.5184 1.5184 2.4675 2.4675 2.5301 2.5301 2.6559 2.6559 3.4535 3.4535 3.6305 3.6305 4.0089 4.0089 4.3746 4.3746 7.1570 7.1570 8.2952 8.2952 8.6633 8.6633 9.4297 9.4297 k = 0.2188-0.0026-0.1130 ( 20448 PWs) bands (ev): -40.7516 -40.7516 -40.7511 -40.7511 -8.8893 -8.8893 -7.4963 -7.4963 -6.9887 -6.9887 -6.9300 -6.9300 -3.5471 -3.5471 -2.4495 -2.4495 -0.1875 -0.1875 0.0200 0.0200 0.5949 0.5949 1.3141 1.3141 1.6190 1.6190 2.4024 2.4024 2.5110 2.5110 2.6398 2.6398 3.4544 3.4544 3.6298 3.6298 4.0046 4.0046 4.3869 4.3869 7.1730 7.1730 8.2653 8.2653 8.5056 8.5056 9.4181 9.4181 k = 0.2344-0.0028-0.1210 ( 20455 PWs) bands (ev): -40.7516 -40.7516 -40.7511 -40.7511 -8.8645 -8.8645 -7.5318 -7.5318 -6.9924 -6.9924 -6.9284 -6.9284 -3.5497 -3.5497 -2.4966 -2.4966 -0.1541 -0.1541 0.0157 0.0157 0.6409 0.6409 1.3791 1.3791 1.7204 1.7204 2.3307 2.3307 2.4977 2.4977 2.6307 2.6307 3.4528 3.4528 3.6299 3.6299 3.9967 3.9967 4.3974 4.3974 7.1927 7.1927 8.2278 8.2278 8.3527 8.3527 9.3576 9.3576 k = 0.2500-0.0030-0.1291 ( 20451 PWs) bands (ev): -40.7516 -40.7516 -40.7511 -40.7511 -8.8383 -8.8383 -7.5683 -7.5683 -6.9962 -6.9962 -6.9275 -6.9275 -3.5506 -3.5506 -2.5440 -2.5440 -0.1238 -0.1238 0.0176 0.0176 0.6856 0.6856 1.4445 1.4445 1.8203 1.8203 2.2600 2.2600 2.4872 2.4872 2.6267 2.6267 3.4488 3.4488 3.6307 3.6307 3.9850 3.9850 4.4069 4.4069 7.2149 7.2149 8.1417 8.1417 8.2486 8.2486 9.2549 9.2549 k = 0.2656-0.0032-0.1372 ( 20449 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.8105 -8.8105 -7.6058 -7.6058 -7.0000 -7.0000 -6.9272 -6.9272 -3.5496 -3.5496 -2.5913 -2.5913 -0.1004 -0.1004 0.0295 0.0295 0.7285 0.7285 1.5086 1.5086 1.9141 1.9141 2.1967 2.1967 2.4793 2.4793 2.6270 2.6270 3.4433 3.4433 3.6317 3.6317 3.9692 3.9692 4.4162 4.4162 7.2381 7.2381 7.9958 7.9958 8.2074 8.2074 9.1350 9.1350 k = 0.2812-0.0034-0.1452 ( 20455 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.7813 -8.7813 -7.6444 -7.6444 -7.0037 -7.0037 -6.9275 -6.9275 -3.5466 -3.5466 -2.6384 -2.6384 -0.0869 -0.0869 0.0541 0.0541 0.7691 0.7691 1.5685 1.5685 1.9867 1.9867 2.1573 2.1573 2.4742 2.4742 2.6313 2.6313 3.4371 3.4371 3.6328 3.6328 3.9498 3.9498 4.4258 4.4258 7.2589 7.2589 7.8448 7.8448 8.1783 8.1783 9.0084 9.0084 k = 0.2969-0.0036-0.1533 ( 20459 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.7508 -8.7508 -7.6839 -7.6839 -7.0073 -7.0073 -6.9283 -6.9283 -3.5416 -3.5416 -2.6851 -2.6851 -0.0816 -0.0816 0.0896 0.0896 0.8071 0.8071 1.6187 1.6187 2.0027 2.0027 2.1805 2.1805 2.4726 2.4726 2.6398 2.6398 3.4310 3.4310 3.6336 3.6336 3.9275 3.9275 4.4359 4.4359 7.2698 7.2698 7.7058 7.7058 8.1519 8.1519 8.8800 8.8800 k = 0.3125-0.0038-0.1614 ( 20456 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.7189 -8.7189 -7.7242 -7.7242 -7.0108 -7.0108 -6.9295 -6.9295 -3.5346 -3.5346 -2.7311 -2.7311 -0.0810 -0.0810 0.1324 0.1324 0.8421 0.8421 1.6501 1.6501 1.9862 1.9862 2.2483 2.2483 2.4755 2.4755 2.6525 2.6525 3.4258 3.4258 3.6337 3.6337 3.9039 3.9039 4.4464 4.4464 7.2532 7.2532 7.5983 7.5983 8.1262 8.1262 8.7527 8.7527 k = 0.3281-0.0040-0.1694 ( 20450 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.6857 -8.6857 -7.7653 -7.7653 -7.0142 -7.0142 -6.9309 -6.9309 -3.5256 -3.5256 -2.7763 -2.7763 -0.0825 -0.0825 0.1796 0.1796 0.8738 0.8738 1.6524 1.6524 1.9839 1.9839 2.3199 2.3199 2.4846 2.4846 2.6691 2.6691 3.4223 3.4223 3.6326 3.6326 3.8813 3.8813 4.4569 4.4569 7.1861 7.1861 7.5457 7.5457 8.1005 8.1005 8.6291 8.6291 k = 0.3438-0.0041-0.1775 ( 20451 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.6513 -8.6513 -7.8070 -7.8070 -7.0173 -7.0173 -6.9325 -6.9325 -3.5146 -3.5146 -2.8204 -2.8204 -0.0850 -0.0850 0.2298 0.2298 0.9017 0.9017 1.6256 1.6256 2.0046 2.0046 2.3818 2.3818 2.5029 2.5029 2.6890 2.6890 3.4206 3.4206 3.6295 3.6295 3.8628 3.8628 4.4670 4.4670 7.0760 7.0760 7.5411 7.5411 8.0739 8.0739 8.5118 8.5118 k = 0.3594-0.0043-0.1856 ( 20445 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.6157 -8.6157 -7.8493 -7.8493 -7.0203 -7.0203 -6.9343 -6.9343 -3.5018 -3.5018 -2.8634 -2.8634 -0.0877 -0.0877 0.2823 0.2823 0.9255 0.9255 1.5806 1.5806 2.0388 2.0388 2.4286 2.4286 2.5328 2.5328 2.7108 2.7108 3.4203 3.4203 3.6233 3.6233 3.8527 3.8527 4.4759 4.4759 6.9487 6.9487 7.5586 7.5586 8.0454 8.0454 8.4038 8.4038 k = 0.3750-0.0045-0.1936 ( 20448 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.5791 -8.5791 -7.8921 -7.8921 -7.0230 -7.0230 -6.9361 -6.9361 -3.4873 -3.4873 -2.9049 -2.9049 -0.0904 -0.0904 0.3363 0.3363 0.9444 0.9444 1.5278 1.5278 2.0765 2.0765 2.4630 2.4630 2.5716 2.5716 2.7322 2.7322 3.4201 3.4201 3.6131 3.6131 3.8554 3.8554 4.4829 4.4829 6.8189 6.8189 7.5834 7.5834 8.0139 8.0139 8.3083 8.3083 k = 0.3906-0.0047-0.2017 ( 20439 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.5415 -8.5415 -7.9352 -7.9352 -7.0255 -7.0255 -6.9379 -6.9379 -3.4715 -3.4715 -2.9446 -2.9446 -0.0929 -0.0929 0.3916 0.3916 0.9578 0.9578 1.4733 1.4733 2.1120 2.1120 2.4921 2.4921 2.6129 2.6129 2.7507 2.7507 3.4179 3.4179 3.5994 3.5994 3.8734 3.8734 4.4870 4.4870 6.6935 6.6935 7.6081 7.6081 7.9793 7.9793 8.2284 8.2284 k = 0.4062-0.0049-0.2098 ( 20442 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.5031 -8.5031 -7.9785 -7.9785 -7.0277 -7.0277 -6.9395 -6.9395 -3.4545 -3.4545 -2.9824 -2.9824 -0.0951 -0.0951 0.4477 0.4477 0.9644 0.9644 1.4209 1.4209 2.1427 2.1427 2.5200 2.5200 2.6527 2.6527 2.7647 2.7647 3.4121 3.4121 3.5839 3.5839 3.9065 3.9065 4.4873 4.4873 6.5763 6.5763 7.6275 7.6275 7.9443 7.9443 8.1652 8.1652 k = 0.4219-0.0051-0.2178 ( 20449 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.4640 -8.4640 -8.0218 -8.0218 -7.0295 -7.0295 -6.9411 -6.9411 -3.4368 -3.4368 -3.0175 -3.0175 -0.0970 -0.0970 0.5042 0.5042 0.9630 0.9630 1.3736 1.3736 2.1678 2.1678 2.5475 2.5475 2.6896 2.6896 2.7735 2.7735 3.4024 3.4024 3.5688 3.5688 3.9521 3.9521 4.4829 4.4829 6.4706 6.4706 7.6365 7.6365 7.9159 7.9159 8.1165 8.1165 k = 0.4375-0.0053-0.2259 ( 20446 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.4245 -8.4245 -8.0647 -8.0647 -7.0311 -7.0311 -6.9424 -6.9424 -3.4192 -3.4192 -3.0494 -3.0494 -0.0986 -0.0986 0.5604 0.5604 0.9523 0.9523 1.3340 1.3340 2.1873 2.1873 2.5740 2.5740 2.7219 2.7219 2.7780 2.7780 3.3899 3.3899 3.5554 3.5554 4.0057 4.0057 4.4730 4.4730 6.3790 6.3790 7.6322 7.6322 7.9017 7.9017 8.0783 8.0783 k = 0.4531-0.0055-0.2340 ( 20438 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.3850 -8.3850 -8.1069 -8.1069 -7.0323 -7.0323 -6.9434 -6.9434 -3.4027 -3.4027 -3.0771 -3.0771 -0.0998 -0.0998 0.6153 0.6153 0.9321 0.9321 1.3036 1.3036 2.2019 2.2019 2.5981 2.5981 2.7465 2.7465 2.7810 2.7810 3.3767 3.3767 3.5445 3.5445 4.0620 4.0620 4.4578 4.4578 6.3043 6.3043 7.6175 7.6175 7.9030 7.9030 8.0467 8.0467 k = 0.4688-0.0057-0.2420 ( 20432 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.3467 -8.3467 -8.1472 -8.1472 -7.0332 -7.0332 -6.9442 -6.9442 -3.3887 -3.3887 -3.0991 -3.0991 -0.1006 -0.1006 0.6670 0.6670 0.9040 0.9040 1.2830 1.2830 2.2119 2.2119 2.6181 2.6181 2.7578 2.7578 2.7882 2.7882 3.3651 3.3651 3.5364 3.5364 4.1141 4.1141 4.4389 4.4389 6.2488 6.2488 7.6002 7.6002 7.9151 7.9151 8.0193 8.0193 k = 0.4844-0.0058-0.2501 ( 20426 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.3130 -8.3130 -8.1820 -8.1820 -7.0337 -7.0337 -6.9447 -6.9447 -3.3790 -3.3790 -3.1135 -3.1135 -0.1012 -0.1012 0.7103 0.7103 0.8741 0.8741 1.2713 1.2713 2.2178 2.2178 2.6318 2.6318 2.7587 2.7587 2.7975 2.7975 3.3573 3.3573 3.5313 3.5313 4.1535 4.1535 4.4212 4.4212 6.2145 6.2145 7.5871 7.5871 7.9313 7.9313 7.9963 7.9963 k = 0.5000-0.0060-0.2582 ( 20428 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.2967 -8.2967 -8.1988 -8.1988 -7.0339 -7.0339 -6.9449 -6.9449 -3.3755 -3.3755 -3.1186 -3.1186 -0.1013 -0.1013 0.7300 0.7300 0.8587 0.8587 1.2675 1.2675 2.2197 2.2197 2.6367 2.6367 2.7581 2.7581 2.8013 2.8013 3.3546 3.3546 3.5296 3.5296 4.1688 4.1688 4.4134 4.4134 6.2030 6.2030 7.5823 7.5823 7.9412 7.9412 7.9846 7.9846 k = 0.5000-0.0060 0.2639 ( 20432 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.7146 -8.7146 -7.3426 -7.3426 -7.1932 -7.1932 -7.0984 -7.0984 -4.1253 -4.1253 -2.4973 -2.4973 -0.0018 -0.0018 0.2629 0.2629 0.7340 0.7340 1.7943 1.7943 2.4719 2.4719 2.5822 2.5822 2.6498 2.6498 2.9960 2.9960 3.3045 3.3045 3.4631 3.4631 4.1308 4.1308 4.4936 4.4936 6.6170 6.6170 7.0369 7.0369 7.2622 7.2622 8.6564 8.6564 k = 0.4844-0.0058 0.2557 ( 20435 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.7157 -8.7157 -7.3414 -7.3414 -7.1932 -7.1932 -7.0982 -7.0982 -4.1241 -4.1241 -2.4966 -2.4966 -0.0025 -0.0025 0.2614 0.2614 0.7340 0.7340 1.7944 1.7944 2.4704 2.4704 2.5703 2.5703 2.6555 2.6555 2.9970 2.9970 3.3067 3.3067 3.4627 3.4627 4.1282 4.1282 4.4897 4.4897 6.6222 6.6222 7.0393 7.0393 7.2743 7.2743 8.6544 8.6544 k = 0.4688-0.0057 0.2475 ( 20434 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.7190 -8.7190 -7.3375 -7.3375 -7.1931 -7.1931 -7.0976 -7.0976 -4.1205 -4.1205 -2.4945 -2.4945 -0.0046 -0.0046 0.2570 0.2570 0.7338 0.7338 1.7946 1.7946 2.4658 2.4658 2.5424 2.5424 2.6647 2.6647 3.0004 3.0004 3.3130 3.3130 3.4612 3.4612 4.1203 4.1203 4.4789 4.4789 6.6374 6.6374 7.0466 7.0466 7.3100 7.3100 8.6487 8.6487 k = 0.4531-0.0055 0.2392 ( 20440 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.7245 -8.7245 -7.3312 -7.3312 -7.1929 -7.1929 -7.0967 -7.0967 -4.1145 -4.1145 -2.4909 -2.4909 -0.0080 -0.0080 0.2498 0.2498 0.7334 0.7334 1.7941 1.7941 2.4580 2.4580 2.5070 2.5070 2.6704 2.6704 3.0069 3.0069 3.3221 3.3221 3.4585 3.4585 4.1068 4.1068 4.4630 4.4630 6.6618 6.6618 7.0600 7.0600 7.3673 7.3673 8.6398 8.6398 k = 0.4375-0.0053 0.2310 ( 20437 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.7320 -8.7320 -7.3226 -7.3226 -7.1926 -7.1926 -7.0953 -7.0953 -4.1061 -4.1061 -2.4859 -2.4859 -0.0130 -0.0130 0.2401 0.2401 0.7328 0.7328 1.7916 1.7916 2.4434 2.4434 2.4720 2.4720 2.6708 2.6708 3.0168 3.0168 3.3320 3.3320 3.4542 3.4542 4.0879 4.0879 4.4450 4.4450 6.6935 6.6935 7.0812 7.0812 7.4434 7.4434 8.6284 8.6284 k = 0.4219-0.0051 0.2227 ( 20445 PWs) bands (ev): -40.7515 -40.7515 -40.7513 -40.7513 -8.7413 -8.7413 -7.3118 -7.3118 -7.1923 -7.1923 -7.0936 -7.0936 -4.0953 -4.0953 -2.4795 -2.4795 -0.0195 -0.0195 0.2285 0.2285 0.7319 0.7319 1.7852 1.7852 2.4093 2.4093 2.4531 2.4531 2.6667 2.6667 3.0296 3.0296 3.3405 3.3405 3.4486 3.4486 4.0645 4.0645 4.4276 4.4276 6.7298 6.7298 7.1125 7.1125 7.5349 7.5349 8.6158 8.6158 k = 0.4062-0.0049 0.2145 ( 20452 PWs) bands (ev): -40.7515 -40.7515 -40.7512 -40.7512 -8.7524 -8.7524 -7.2991 -7.2991 -7.1919 -7.1919 -7.0916 -7.0916 -4.0823 -4.0823 -2.4716 -2.4716 -0.0278 -0.0278 0.2153 0.2153 0.7304 0.7304 1.7729 1.7729 2.3644 2.3644 2.4447 2.4447 2.6594 2.6594 3.0434 3.0434 3.3447 3.3447 3.4432 3.4432 4.0382 4.0382 4.4125 4.4125 6.7670 6.7670 7.1569 7.1569 7.6385 7.6385 8.6034 8.6034 k = 0.3906-0.0047 0.2062 ( 20463 PWs) bands (ev): -40.7515 -40.7515 -40.7512 -40.7512 -8.7649 -8.7649 -7.2847 -7.2847 -7.1914 -7.1914 -7.0892 -7.0892 -4.0669 -4.0669 -2.4622 -2.4622 -0.0378 -0.0378 0.2013 0.2013 0.7284 0.7284 1.7522 1.7522 2.3172 2.3172 2.4411 2.4411 2.6506 2.6506 3.0555 3.0555 3.3420 3.3420 3.4407 3.4407 4.0113 4.0113 4.4006 4.4006 6.8021 6.8021 7.2167 7.2167 7.7502 7.7502 8.5933 8.5933 k = 0.3750-0.0045 0.1980 ( 20454 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.7787 -8.7787 -7.2689 -7.2689 -7.1908 -7.1908 -7.0865 -7.0865 -4.0494 -4.0494 -2.4514 -2.4514 -0.0499 -0.0499 0.1869 0.1869 0.7256 0.7256 1.7213 1.7213 2.2696 2.2696 2.4426 2.4426 2.6417 2.6417 3.0620 3.0620 3.3326 3.3326 3.4430 3.4430 3.9863 3.9863 4.3919 4.3919 6.8329 6.8329 7.2930 7.2930 7.8657 7.8657 8.5883 8.5883 k = 0.3594-0.0043 0.1897 ( 20453 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.7936 -8.7936 -7.2519 -7.2519 -7.1901 -7.1901 -7.0835 -7.0835 -4.0297 -4.0297 -2.4391 -2.4391 -0.0641 -0.0641 0.1727 0.1727 0.7220 0.7220 1.6795 1.6795 2.2218 2.2218 2.4503 2.4503 2.6337 2.6337 3.0584 3.0584 3.3220 3.3220 3.4490 3.4490 3.9647 3.9647 4.3857 4.3857 6.8591 6.8591 7.3850 7.3850 7.9793 7.9793 8.5929 8.5929 k = 0.3438-0.0041 0.1815 ( 20455 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.8093 -8.8093 -7.2342 -7.2342 -7.1893 -7.1893 -7.0802 -7.0802 -4.0079 -4.0079 -2.4254 -2.4254 -0.0804 -0.0804 0.1592 0.1592 0.7173 0.7173 1.6271 1.6271 2.1729 2.1729 2.4645 2.4645 2.6276 2.6276 3.0408 3.0408 3.3165 3.3165 3.4571 3.4571 3.9473 3.9473 4.3814 4.3814 6.8816 6.8816 7.4909 7.4909 8.0835 8.0835 8.6136 8.6136 k = 0.3281-0.0040 0.1732 ( 20458 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.8257 -8.8257 -7.2161 -7.2161 -7.1880 -7.1880 -7.0767 -7.0767 -3.9842 -3.9842 -2.4103 -2.4103 -0.0987 -0.0987 0.1468 0.1468 0.7115 0.7115 1.5655 1.5655 2.1217 2.1217 2.4845 2.4845 2.6244 2.6244 3.0097 3.0097 3.3190 3.3190 3.4662 3.4662 3.9338 3.9338 4.3782 4.3782 6.9013 6.9013 7.6084 7.6084 8.1690 8.1690 8.6585 8.6585 k = 0.3125-0.0038 0.1650 ( 20451 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.8424 -8.8424 -7.1995 -7.1995 -7.1848 -7.1848 -7.0730 -7.0730 -3.9587 -3.9587 -2.3937 -2.3937 -0.1190 -0.1190 0.1356 0.1356 0.7046 0.7046 1.4966 1.4966 2.0669 2.0669 2.5087 2.5087 2.6254 2.6254 2.9693 2.9693 3.3280 3.3280 3.4757 3.4757 3.9236 3.9236 4.3754 4.3754 6.9194 6.9194 7.7355 7.7355 8.2295 8.2295 8.7330 8.7330 k = 0.2969-0.0036 0.1567 ( 20461 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.8594 -8.8594 -7.1911 -7.1911 -7.1730 -7.1730 -7.0690 -7.0690 -3.9314 -3.9314 -2.3758 -2.3758 -0.1410 -0.1410 0.1260 0.1260 0.6963 0.6963 1.4224 1.4224 2.0074 2.0074 2.5340 2.5340 2.6327 2.6327 2.9252 2.9252 3.3407 3.3407 3.4855 3.4855 3.9161 3.9161 4.3723 4.3723 6.9365 6.9365 7.8703 7.8703 8.2675 8.2675 8.8336 8.8336 k = 0.2812-0.0034 0.1485 ( 20460 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.8765 -8.8765 -7.1889 -7.1889 -7.1553 -7.1553 -7.0649 -7.0649 -3.9026 -3.9026 -2.3566 -2.3566 -0.1642 -0.1642 0.1177 0.1177 0.6868 0.6868 1.3447 1.3447 1.9427 1.9427 2.5561 2.5561 2.6493 2.6493 2.8821 2.8821 3.3546 3.3546 3.4957 3.4957 3.9105 3.9105 4.3682 4.3682 6.9532 6.9532 8.0110 8.0110 8.2910 8.2910 8.9512 8.9512 k = 0.2656-0.0032 0.1402 ( 20453 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.8934 -8.8934 -7.1876 -7.1876 -7.1368 -7.1368 -7.0607 -7.0607 -3.8725 -3.8725 -2.3362 -2.3362 -0.1884 -0.1884 0.1108 0.1108 0.6759 0.6759 1.2651 1.2651 1.8728 1.8728 2.5723 2.5723 2.6754 2.6754 2.8442 2.8442 3.3677 3.3677 3.5062 3.5062 3.9064 3.9064 4.3628 4.3628 6.9697 6.9697 8.1556 8.1556 8.3078 8.3078 9.0774 9.0774 k = 0.2500-0.0030 0.1320 ( 20441 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.9101 -8.9101 -7.1866 -7.1866 -7.1184 -7.1184 -7.0563 -7.0563 -3.8412 -3.8412 -2.3147 -2.3147 -0.2131 -0.2131 0.1051 0.1051 0.6637 0.6637 1.1849 1.1849 1.7981 1.7981 2.5842 2.5842 2.7043 2.7043 2.8177 2.8177 3.3792 3.3792 3.5173 3.5173 3.9034 3.9034 4.3556 4.3556 6.9864 6.9864 8.2924 8.2924 8.3322 8.3322 9.2058 9.2058 k = 0.2344-0.0028 0.1237 ( 20436 PWs) bands (ev): -40.7516 -40.7516 -40.7512 -40.7512 -8.9264 -8.9264 -7.1856 -7.1856 -7.1006 -7.1006 -7.0519 -7.0519 -3.8091 -3.8091 -2.2923 -2.2923 -0.2379 -0.2379 0.1006 0.1006 0.6502 0.6502 1.1052 1.1052 1.7195 1.7195 2.5943 2.5943 2.7191 2.7191 2.8168 2.8168 3.3883 3.3883 3.5286 3.5286 3.9013 3.9013 4.3463 4.3463 7.0032 7.0032 8.3273 8.3273 8.4595 8.4595 9.3309 9.3309 k = 0.2188-0.0026 0.1155 ( 20436 PWs) bands (ev): -40.7516 -40.7516 -40.7511 -40.7511 -8.9421 -8.9421 -7.1847 -7.1847 -7.0835 -7.0835 -7.0474 -7.0474 -3.7763 -3.7763 -2.2691 -2.2691 -0.2626 -0.2626 0.0970 0.0970 0.6355 0.6355 1.0270 1.0270 1.6383 1.6383 2.6042 2.6042 2.7116 2.7116 2.8474 2.8474 3.3950 3.3950 3.5401 3.5401 3.8999 3.8999 4.3346 4.3346 7.0202 7.0202 8.3417 8.3417 8.6072 8.6072 9.4429 9.4429 k = 0.2031-0.0025 0.1072 ( 20426 PWs) bands (ev): -40.7516 -40.7516 -40.7511 -40.7511 -8.9572 -8.9572 -7.1839 -7.1839 -7.0675 -7.0675 -7.0426 -7.0426 -3.7431 -3.7431 -2.2452 -2.2452 -0.2866 -0.2866 0.0942 0.0942 0.6196 0.6196 0.9513 0.9513 1.5557 1.5557 2.6142 2.6142 2.6969 2.6969 2.8928 2.8928 3.3993 3.3993 3.5515 3.5515 3.8991 3.8991 4.3205 4.3205 7.0373 7.0373 8.3565 8.3565 8.7518 8.7518 9.4949 9.4949 k = 0.1875-0.0023 0.0990 ( 20433 PWs) bands (ev): -40.7516 -40.7516 -40.7511 -40.7511 -8.9715 -8.9715 -7.1830 -7.1830 -7.0530 -7.0530 -7.0374 -7.0374 -3.7100 -3.7100 -2.2210 -2.2210 -0.3099 -0.3099 0.0921 0.0921 0.6027 0.6027 0.8788 0.8788 1.4732 1.4732 2.6246 2.6246 2.6832 2.6832 2.9433 2.9433 3.4015 3.4015 3.5626 3.5626 3.8986 3.8986 4.3040 4.3040 7.0543 7.0543 8.3727 8.3727 8.8873 8.8873 9.4926 9.4926 k = 0.1719-0.0021 0.0907 ( 20437 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9850 -8.9850 -7.1822 -7.1822 -7.0417 -7.0417 -7.0302 -7.0302 -3.6773 -3.6773 -2.1968 -2.1968 -0.3321 -0.3321 0.0905 0.0905 0.5848 0.5848 0.8103 0.8103 1.3922 1.3922 2.6347 2.6347 2.6730 2.6730 2.9957 2.9957 3.4018 3.4018 3.5731 3.5731 3.8984 3.8984 4.2852 4.2852 7.0712 7.0712 8.3902 8.3902 9.0048 9.0048 9.4978 9.4978 k = 0.1562-0.0019 0.0825 ( 20443 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -8.9976 -8.9976 -7.1815 -7.1815 -7.0347 -7.0347 -7.0198 -7.0198 -3.6453 -3.6453 -2.1727 -2.1727 -0.3531 -0.3531 0.0893 0.0893 0.5661 0.5661 0.7465 0.7465 1.3139 1.3139 2.6427 2.6427 2.6680 2.6680 3.0484 3.0484 3.4008 3.4008 3.5832 3.5832 3.8981 3.8981 4.2643 4.2643 7.0877 7.0877 8.4086 8.4086 9.0910 9.0910 9.5307 9.5307 k = 0.1406-0.0017 0.0742 ( 20443 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0092 -9.0092 -7.1807 -7.1807 -7.0301 -7.0301 -7.0086 -7.0086 -3.6145 -3.6145 -2.1492 -2.1492 -0.3725 -0.3725 0.0883 0.0883 0.5467 0.5467 0.6881 0.6881 1.2396 1.2396 2.6454 2.6454 2.6710 2.6710 3.1004 3.1004 3.3989 3.3989 3.5929 3.5929 3.8972 3.8972 4.2417 4.2417 7.1035 7.1035 8.4276 8.4276 9.1383 9.1383 9.5985 9.5985 k = 0.1250-0.0015 0.0660 ( 20443 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0197 -9.0197 -7.1801 -7.1801 -7.0262 -7.0262 -6.9980 -6.9980 -3.5853 -3.5853 -2.1266 -2.1266 -0.3903 -0.3903 0.0873 0.0873 0.5267 0.5267 0.6357 0.6357 1.1704 1.1704 2.6442 2.6442 2.6798 2.6798 3.1503 3.1503 3.3965 3.3965 3.6028 3.6028 3.8954 3.8954 4.2180 4.2180 7.1185 7.1185 8.4466 8.4466 9.1546 9.1546 9.6867 9.6867 k = 0.1094-0.0013 0.0577 ( 20447 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0291 -9.0291 -7.1795 -7.1795 -7.0229 -7.0229 -6.9885 -6.9885 -3.5582 -3.5582 -2.1053 -2.1053 -0.4063 -0.4063 0.0863 0.0863 0.5065 0.5065 0.5898 0.5898 1.1073 1.1073 2.6427 2.6427 2.6903 2.6903 3.1969 3.1969 3.3945 3.3945 3.6133 3.6133 3.8919 3.8919 4.1940 4.1940 7.1324 7.1324 8.4651 8.4651 9.1543 9.1543 9.7424 9.7424 k = 0.0938-0.0011 0.0495 ( 20451 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0374 -9.0374 -7.1789 -7.1789 -7.0200 -7.0200 -6.9801 -6.9801 -3.5335 -3.5335 -2.0858 -2.0858 -0.4204 -0.4204 0.0851 0.0851 0.4865 0.4865 0.5506 0.5506 1.0513 1.0513 2.6418 2.6418 2.7008 2.7008 3.2383 3.2383 3.3939 3.3939 3.6250 3.6250 3.8861 3.8861 4.1705 4.1705 7.1451 7.1451 8.4824 8.4824 9.1468 9.1468 9.7330 9.7330 k = 0.0781-0.0009 0.0412 ( 20449 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0444 -9.0444 -7.1784 -7.1784 -7.0175 -7.0175 -6.9730 -6.9730 -3.5118 -3.5118 -2.0684 -2.0684 -0.4325 -0.4325 0.0838 0.0838 0.4674 0.4674 0.5182 0.5182 1.0030 1.0030 2.6416 2.6416 2.7105 2.7105 3.2723 3.2723 3.3960 3.3960 3.6386 3.6386 3.8771 3.8771 4.1487 4.1487 7.1562 7.1562 8.4980 8.4980 9.1371 9.1371 9.7108 9.7108 k = 0.0625-0.0008 0.0330 ( 20448 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0502 -9.0502 -7.1780 -7.1780 -7.0155 -7.0155 -6.9671 -6.9671 -3.4934 -3.4934 -2.0535 -2.0535 -0.4425 -0.4425 0.0823 0.0823 0.4503 0.4503 0.4921 0.4921 0.9630 0.9630 2.6418 2.6418 2.7191 2.7191 3.2967 3.2967 3.4021 3.4021 3.6550 3.6550 3.8644 3.8644 4.1296 4.1296 7.1656 7.1656 8.5115 8.5115 9.1276 9.1276 9.6891 9.6891 k = 0.0469-0.0006 0.0247 ( 20455 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0547 -9.0547 -7.1777 -7.1777 -7.0138 -7.0138 -6.9626 -6.9626 -3.4787 -3.4787 -2.0415 -2.0415 -0.4503 -0.4503 0.0809 0.0809 0.4364 0.4364 0.4718 0.4718 0.9317 0.9317 2.6422 2.6422 2.7261 2.7261 3.3112 3.3112 3.4117 3.4117 3.6742 3.6742 3.8479 3.8479 4.1143 4.1143 7.1731 7.1731 8.5224 8.5224 9.1195 9.1195 9.6707 9.6707 k = 0.0312-0.0004 0.0165 ( 20447 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0580 -9.0580 -7.1775 -7.1775 -7.0127 -7.0127 -6.9593 -6.9593 -3.4679 -3.4679 -2.0327 -2.0327 -0.4560 -0.4560 0.0797 0.0797 0.4263 0.4263 0.4571 0.4571 0.9092 0.9092 2.6426 2.6426 2.7314 2.7314 3.3183 3.3183 3.4218 3.4218 3.6954 3.6954 3.8286 3.8286 4.1032 4.1032 7.1785 7.1785 8.5304 8.5304 9.1134 9.1134 9.6570 9.6570 k = 0.0156-0.0002 0.0082 ( 20456 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0600 -9.0600 -7.1774 -7.1774 -7.0120 -7.0120 -6.9573 -6.9573 -3.4614 -3.4614 -2.0273 -2.0273 -0.4594 -0.4594 0.0789 0.0789 0.4203 0.4203 0.4480 0.4480 0.8957 0.8957 2.6429 2.6429 2.7346 2.7346 3.3213 3.3213 3.4290 3.4290 3.7152 3.7152 3.8099 3.8099 4.0966 4.0966 7.1818 7.1818 8.5354 8.5354 9.1097 9.1097 9.6485 9.6485 k = 0.0000 0.0000 0.0000 ( 20453 PWs) bands (ev): -40.7517 -40.7517 -40.7511 -40.7511 -9.0606 -9.0606 -7.1773 -7.1773 -7.0117 -7.0117 -6.9567 -6.9567 -3.4592 -3.4592 -2.0255 -2.0255 -0.4605 -0.4605 0.0786 0.0786 0.4184 0.4184 0.4448 0.4448 0.8912 0.8912 2.6430 2.6430 2.7357 2.7357 3.3221 3.3221 3.4315 3.4315 3.7247 3.7247 3.8007 3.8007 4.0944 4.0944 7.1829 7.1829 8.5370 8.5370 9.1084 9.1084 9.6456 9.6456 Writing output data file LiSbS2.save init_run : 0.60s CPU 0.76s WALL ( 1 calls) electrons : 465.97s CPU 469.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 465.97s CPU 469.57s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.19s CPU 0.25s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.22s CPU 0.50s WALL ( 328 calls) cegterg : 409.08s CPU 411.31s WALL ( 397 calls) Called by sum_band: Called by *egterg: h_psi : 317.15s CPU 319.06s WALL ( 6762 calls) s_psi : 19.29s CPU 19.26s WALL ( 6762 calls) g_psi : 0.97s CPU 1.04s WALL ( 6037 calls) cdiaghg : 49.13s CPU 49.65s WALL ( 6365 calls) cegterg:over : 21.66s CPU 21.62s WALL ( 6037 calls) cegterg:upda : 24.86s CPU 24.99s WALL ( 6037 calls) cegterg:last : 10.34s CPU 10.36s WALL ( 1084 calls) cdiaghg:chol : 2.84s CPU 2.90s WALL ( 6365 calls) cdiaghg:inve : 1.90s CPU 1.94s WALL ( 6365 calls) cdiaghg:para : 3.09s CPU 3.03s WALL ( 12730 calls) Called by h_psi: h_psi:vloc : 275.95s CPU 277.68s WALL ( 6762 calls) h_psi:vnl : 39.98s CPU 40.17s WALL ( 6762 calls) add_vuspsi : 19.94s CPU 20.25s WALL ( 6762 calls) General routines calbec : 19.98s CPU 19.89s WALL ( 6762 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 260.96s CPU 262.44s WALL ( 734904 calls) davcio : 0.41s CPU 0.86s WALL ( 656 calls) Parallel routines fft_scatter : 74.29s CPU 74.58s WALL ( 734919 calls) PWSCF : 8m31.25s CPU 8m54.07s WALL This run was terminated on: 20:50:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=