Program PWSCF v.5.1.1 starts on 18Oct2015 at 21:58:55 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cu2GeS3.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 51 39 11 962 650 104 Max 52 40 12 964 667 106 Sum 2449 1909 559 46241 31637 5031 bravais-lattice index = 14 lattice parameter (alat) = 12.3011 a.u. unit-cell volume = 749.4960 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.301082 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.832644 celldm(5)= -0.679700 celldm(6)= 0.512344 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.512344 0.858780 0.000000 ) a(3) = ( -0.679700 -0.564060 0.468875 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.596595 0.731932 ) b(2) = ( 0.000000 1.164442 1.400831 ) b(3) = ( 0.000000 0.000000 2.132763 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for S read from file: /home/autes/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. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Ge 4.00 72.64000 Ge( 1.00) S 6.00 32.06500 S( 1.00) Cu 11.00 63.54600 Cu( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 375 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( -0.0059078 0.0104038 0.0165516), wk = 0.0026667 k( 3) = ( -0.0118155 0.0208076 0.0331031), wk = 0.0026667 k( 4) = ( -0.0177233 0.0312114 0.0496547), wk = 0.0026667 k( 5) = ( -0.0236311 0.0416152 0.0662063), wk = 0.0026667 k( 6) = ( -0.0295388 0.0520190 0.0827578), wk = 0.0026667 k( 7) = ( -0.0354466 0.0624228 0.0993094), wk = 0.0026667 k( 8) = ( -0.0413544 0.0728266 0.1158610), wk = 0.0026667 k( 9) = ( -0.0472621 0.0832304 0.1324125), wk = 0.0026667 k( 10) = ( -0.0531699 0.0936342 0.1489641), wk = 0.0026667 k( 11) = ( -0.0590777 0.1040380 0.1655156), wk = 0.0026667 k( 12) = ( -0.0649854 0.1144418 0.1820672), wk = 0.0026667 k( 13) = ( -0.0708932 0.1248456 0.1986188), wk = 0.0026667 k( 14) = ( -0.0768010 0.1352494 0.2151703), wk = 0.0026667 k( 15) = ( -0.0827087 0.1456532 0.2317219), wk = 0.0026667 k( 16) = ( -0.0886165 0.1560570 0.2482735), wk = 0.0026667 k( 17) = ( -0.0945243 0.1664608 0.2648250), wk = 0.0026667 k( 18) = ( -0.1004320 0.1768646 0.2813766), wk = 0.0026667 k( 19) = ( -0.1063398 0.1872684 0.2979281), wk = 0.0026667 k( 20) = ( -0.1122476 0.1976722 0.3144797), wk = 0.0026667 k( 21) = ( -0.1181553 0.2080760 0.3310313), wk = 0.0026667 k( 22) = ( -0.1240631 0.2184798 0.3475828), wk = 0.0026667 k( 23) = ( -0.1299709 0.2288836 0.3641344), wk = 0.0026667 k( 24) = ( -0.1358786 0.2392874 0.3806860), wk = 0.0026667 k( 25) = ( -0.1417864 0.2496912 0.3972375), wk = 0.0026667 k( 26) = ( -0.1476942 0.2600950 0.4137891), wk = 0.0026667 k( 27) = ( -0.1536019 0.2704988 0.4303406), wk = 0.0026667 k( 28) = ( -0.1595097 0.2809025 0.4468922), wk = 0.0026667 k( 29) = ( -0.1654175 0.2913064 0.4634438), wk = 0.0026667 k( 30) = ( -0.1713252 0.3017102 0.4799953), wk = 0.0026667 k( 31) = ( -0.1772330 0.3121139 0.4965469), wk = 0.0026667 k( 32) = ( -0.1831408 0.3225177 0.5130985), wk = 0.0026667 k( 33) = ( -0.1890485 0.3329216 0.5296500), wk = 0.0026667 k( 34) = ( -0.1949563 0.3433253 0.5462016), wk = 0.0026667 k( 35) = ( -0.2008641 0.3537291 0.5627531), wk = 0.0026667 k( 36) = ( -0.2067718 0.3641329 0.5793047), wk = 0.0026667 k( 37) = ( -0.2126796 0.3745367 0.5958563), wk = 0.0026667 k( 38) = ( -0.2185874 0.3849405 0.6124078), wk = 0.0026667 k( 39) = ( -0.2244951 0.3953443 0.6289594), wk = 0.0026667 k( 40) = ( -0.2304029 0.4057481 0.6455110), wk = 0.0026667 k( 41) = ( -0.2363107 0.4161519 0.6620625), wk = 0.0026667 k( 42) = ( -0.2422184 0.4265557 0.6786141), wk = 0.0026667 k( 43) = ( -0.2481262 0.4369595 0.6951656), wk = 0.0026667 k( 44) = ( -0.2540340 0.4473633 0.7117172), wk = 0.0026667 k( 45) = ( -0.2599417 0.4577671 0.7282688), wk = 0.0026667 k( 46) = ( -0.2658495 0.4681709 0.7448203), wk = 0.0026667 k( 47) = ( -0.2717573 0.4785747 0.7613719), wk = 0.0026667 k( 48) = ( -0.2776650 0.4889785 0.7779235), wk = 0.0026667 k( 49) = ( -0.2776650 0.4889785 0.7779235), wk = 0.0026667 k( 50) = ( -0.2694545 0.4745195 0.7899425), wk = 0.0026667 k( 51) = ( -0.2612440 0.4600605 0.8019616), wk = 0.0026667 k( 52) = ( -0.2530335 0.4456014 0.8139807), wk = 0.0026667 k( 53) = ( -0.2448230 0.4311424 0.8259998), wk = 0.0026667 k( 54) = ( -0.2366124 0.4166834 0.8380189), wk = 0.0026667 k( 55) = ( -0.2284019 0.4022243 0.8500380), wk = 0.0026667 k( 56) = ( -0.2201914 0.3877653 0.8620571), wk = 0.0026667 k( 57) = ( -0.2119809 0.3733063 0.8740761), wk = 0.0026667 k( 58) = ( -0.2037704 0.3588472 0.8860952), wk = 0.0026667 k( 59) = ( -0.1955598 0.3443882 0.8981143), wk = 0.0026667 k( 60) = ( -0.1873493 0.3299292 0.9101334), wk = 0.0026667 k( 61) = ( -0.1791388 0.3154701 0.9221525), wk = 0.0026667 k( 62) = ( -0.1709283 0.3010111 0.9341716), wk = 0.0026667 k( 63) = ( -0.1627178 0.2865521 0.9461907), wk = 0.0026667 k( 64) = ( -0.1545072 0.2720930 0.9582098), wk = 0.0026667 k( 65) = ( -0.1462967 0.2576340 0.9702288), wk = 0.0026667 k( 66) = ( -0.1380862 0.2431750 0.9822479), wk = 0.0026667 k( 67) = ( -0.1298757 0.2287160 0.9942670), wk = 0.0026667 k( 68) = ( -0.1216652 0.2142569 1.0062861), wk = 0.0026667 k( 69) = ( -0.1134547 0.1997979 1.0183052), wk = 0.0026667 k( 70) = ( -0.1052441 0.1853389 1.0303243), wk = 0.0026667 k( 71) = ( -0.0970336 0.1708798 1.0423434), wk = 0.0026667 k( 72) = ( -0.0888231 0.1564208 1.0543625), wk = 0.0026667 k( 73) = ( -0.0806126 0.1419618 1.0663815), wk = 0.0026667 k( 74) = ( -0.0806126 0.1419618 1.0663815), wk = 0.0026667 k( 75) = ( -0.0705360 0.1242165 1.0663816), wk = 0.0026667 k( 76) = ( -0.0604594 0.1064713 1.0663816), wk = 0.0026667 k( 77) = ( -0.0503829 0.0887261 1.0663816), wk = 0.0026667 k( 78) = ( -0.0403063 0.0709809 1.0663816), wk = 0.0026667 k( 79) = ( -0.0302297 0.0532357 1.0663815), wk = 0.0026667 k( 80) = ( -0.0201531 0.0354904 1.0663816), wk = 0.0026667 k( 81) = ( -0.0100766 0.0177452 1.0663815), wk = 0.0026667 k( 82) = ( 0.0000000 0.0000000 1.0663816), wk = 0.0026667 k( 83) = ( 0.0000000 0.0000000 1.0663816), wk = 0.0026667 k( 84) = ( 0.0178571 0.0101401 1.0663816), wk = 0.0026667 k( 85) = ( 0.0357143 0.0202803 1.0663816), wk = 0.0026667 k( 86) = ( 0.0535714 0.0304204 1.0663816), wk = 0.0026667 k( 87) = ( 0.0714286 0.0405605 1.0663816), wk = 0.0026667 k( 88) = ( 0.0892857 0.0507006 1.0663816), wk = 0.0026667 k( 89) = ( 0.1071429 0.0608408 1.0663816), wk = 0.0026667 k( 90) = ( 0.1250000 0.0709809 1.0663816), wk = 0.0026667 k( 91) = ( 0.1428571 0.0811210 1.0663816), wk = 0.0026667 k( 92) = ( 0.1607143 0.0912611 1.0663816), wk = 0.0026667 k( 93) = ( 0.1785714 0.1014013 1.0663816), wk = 0.0026667 k( 94) = ( 0.1964286 0.1115414 1.0663816), wk = 0.0026667 k( 95) = ( 0.2142857 0.1216815 1.0663816), wk = 0.0026667 k( 96) = ( 0.2321429 0.1318216 1.0663816), wk = 0.0026667 k( 97) = ( 0.2500000 0.1419618 1.0663816), wk = 0.0026667 k( 98) = ( 0.2500000 0.1419618 1.0663816), wk = 0.0026667 k( 99) = ( 0.2419355 0.1561637 1.0545762), wk = 0.0026667 k( 100) = ( 0.2338710 0.1703656 1.0427708), wk = 0.0026667 k( 101) = ( 0.2258064 0.1845675 1.0309655), wk = 0.0026667 k( 102) = ( 0.2177419 0.1987694 1.0191601), wk = 0.0026667 k( 103) = ( 0.2096774 0.2129713 1.0073548), wk = 0.0026667 k( 104) = ( 0.2016129 0.2271733 0.9955494), wk = 0.0026667 k( 105) = ( 0.1935484 0.2413752 0.9837440), wk = 0.0026667 k( 106) = ( 0.1854839 0.2555771 0.9719387), wk = 0.0026667 k( 107) = ( 0.1774194 0.2697790 0.9601333), wk = 0.0026667 k( 108) = ( 0.1693548 0.2839809 0.9483280), wk = 0.0026667 k( 109) = ( 0.1612903 0.2981828 0.9365226), wk = 0.0026667 k( 110) = ( 0.1532258 0.3123847 0.9247173), wk = 0.0026667 k( 111) = ( 0.1451613 0.3265867 0.9129119), wk = 0.0026667 k( 112) = ( 0.1370968 0.3407886 0.9011065), wk = 0.0026667 k( 113) = ( 0.1290323 0.3549905 0.8893012), wk = 0.0026667 k( 114) = ( 0.1209677 0.3691924 0.8774958), wk = 0.0026667 k( 115) = ( 0.1129032 0.3833943 0.8656905), wk = 0.0026667 k( 116) = ( 0.1048387 0.3975962 0.8538851), wk = 0.0026667 k( 117) = ( 0.0967742 0.4117982 0.8420797), wk = 0.0026667 k( 118) = ( 0.0887097 0.4260001 0.8302744), wk = 0.0026667 k( 119) = ( 0.0806452 0.4402020 0.8184690), wk = 0.0026667 k( 120) = ( 0.0725806 0.4544039 0.8066637), wk = 0.0026667 k( 121) = ( 0.0645161 0.4686058 0.7948583), wk = 0.0026667 k( 122) = ( 0.0564516 0.4828077 0.7830529), wk = 0.0026667 k( 123) = ( 0.0483871 0.4970096 0.7712476), wk = 0.0026667 k( 124) = ( 0.0403226 0.5112116 0.7594422), wk = 0.0026667 k( 125) = ( 0.0322581 0.5254135 0.7476369), wk = 0.0026667 k( 126) = ( 0.0241936 0.5396154 0.7358315), wk = 0.0026667 k( 127) = ( 0.0161290 0.5538173 0.7240261), wk = 0.0026667 k( 128) = ( 0.0080645 0.5680192 0.7122208), wk = 0.0026667 k( 129) = ( 0.0000000 0.5822211 0.7004154), wk = 0.0026667 k( 130) = ( 0.0000000 0.5822211 0.7004154), wk = 0.0026667 k( 131) = ( 0.0185110 0.5884373 0.6952482), wk = 0.0026667 k( 132) = ( 0.0370220 0.5946535 0.6900810), wk = 0.0026667 k( 133) = ( 0.0555330 0.6008697 0.6849138), wk = 0.0026667 k( 134) = ( 0.0740440 0.6070858 0.6797466), wk = 0.0026667 k( 135) = ( 0.0925550 0.6133020 0.6745794), wk = 0.0026667 k( 136) = ( 0.1110660 0.6195182 0.6694122), wk = 0.0026667 k( 137) = ( 0.1295770 0.6257344 0.6642450), wk = 0.0026667 k( 138) = ( 0.1480880 0.6319505 0.6590778), wk = 0.0026667 k( 139) = ( 0.1665990 0.6381667 0.6539106), wk = 0.0026667 k( 140) = ( 0.1851100 0.6443829 0.6487434), wk = 0.0026667 k( 141) = ( 0.2036210 0.6505991 0.6435762), wk = 0.0026667 k( 142) = ( 0.2221320 0.6568152 0.6384090), wk = 0.0026667 k( 143) = ( 0.2406430 0.6630314 0.6332418), wk = 0.0026667 k( 144) = ( 0.2591540 0.6692476 0.6280746), wk = 0.0026667 k( 145) = ( 0.2776650 0.6754638 0.6229074), wk = 0.0026667 k( 146) = ( 0.2776650 0.6754638 0.6229074), wk = 0.0026667 k( 147) = ( 0.2835159 0.6651601 0.6065151), wk = 0.0026667 k( 148) = ( 0.2893669 0.6548564 0.5901228), wk = 0.0026667 k( 149) = ( 0.2952178 0.6445527 0.5737305), wk = 0.0026667 k( 150) = ( 0.3010687 0.6342490 0.5573382), wk = 0.0026667 k( 151) = ( 0.3069196 0.6239453 0.5409459), wk = 0.0026667 k( 152) = ( 0.3127705 0.6136416 0.5245536), wk = 0.0026667 k( 153) = ( 0.3186215 0.6033379 0.5081613), wk = 0.0026667 k( 154) = ( 0.3244724 0.5930342 0.4917690), wk = 0.0026667 k( 155) = ( 0.3303233 0.5827306 0.4753767), wk = 0.0026667 k( 156) = ( 0.3361742 0.5724269 0.4589844), wk = 0.0026667 k( 157) = ( 0.3420252 0.5621232 0.4425921), wk = 0.0026667 k( 158) = ( 0.3478761 0.5518195 0.4261998), wk = 0.0026667 k( 159) = ( 0.3537270 0.5415158 0.4098075), wk = 0.0026667 k( 160) = ( 0.3595779 0.5312121 0.3934152), wk = 0.0026667 k( 161) = ( 0.3654288 0.5209084 0.3770229), wk = 0.0026667 k( 162) = ( 0.3712798 0.5106047 0.3606306), wk = 0.0026667 k( 163) = ( 0.3771307 0.5003010 0.3442383), wk = 0.0026667 k( 164) = ( 0.3829816 0.4899973 0.3278460), wk = 0.0026667 k( 165) = ( 0.3888325 0.4796937 0.3114537), wk = 0.0026667 k( 166) = ( 0.3946834 0.4693900 0.2950614), wk = 0.0026667 k( 167) = ( 0.4005343 0.4590863 0.2786691), wk = 0.0026667 k( 168) = ( 0.4063853 0.4487826 0.2622768), wk = 0.0026667 k( 169) = ( 0.4122362 0.4384789 0.2458845), wk = 0.0026667 k( 170) = ( 0.4180871 0.4281752 0.2294922), wk = 0.0026667 k( 171) = ( 0.4239380 0.4178715 0.2130999), wk = 0.0026667 k( 172) = ( 0.4297890 0.4075678 0.1967076), wk = 0.0026667 k( 173) = ( 0.4356399 0.3972641 0.1803153), wk = 0.0026667 k( 174) = ( 0.4414908 0.3869604 0.1639230), wk = 0.0026667 k( 175) = ( 0.4473417 0.3766567 0.1475307), wk = 0.0026667 k( 176) = ( 0.4531926 0.3663531 0.1311384), wk = 0.0026667 k( 177) = ( 0.4590436 0.3560494 0.1147461), wk = 0.0026667 k( 178) = ( 0.4648945 0.3457457 0.0983538), wk = 0.0026667 k( 179) = ( 0.4707454 0.3354420 0.0819615), wk = 0.0026667 k( 180) = ( 0.4765963 0.3251383 0.0655692), wk = 0.0026667 k( 181) = ( 0.4824472 0.3148346 0.0491769), wk = 0.0026667 k( 182) = ( 0.4882982 0.3045309 0.0327846), wk = 0.0026667 k( 183) = ( 0.4941491 0.2942272 0.0163923), wk = 0.0026667 k( 184) = ( 0.5000000 0.2839235 0.0000000), wk = 0.0026667 k( 185) = ( 0.5000000 0.2839235 0.0000000), wk = 0.0026667 k( 186) = ( 0.4821429 0.2737834 0.0000000), wk = 0.0026667 k( 187) = ( 0.4642857 0.2636433 0.0000000), wk = 0.0026667 k( 188) = ( 0.4464286 0.2535032 0.0000000), wk = 0.0026667 k( 189) = ( 0.4285714 0.2433630 0.0000000), wk = 0.0026667 k( 190) = ( 0.4107143 0.2332229 0.0000000), wk = 0.0026667 k( 191) = ( 0.3928571 0.2230828 0.0000000), wk = 0.0026667 k( 192) = ( 0.3750000 0.2129427 0.0000000), wk = 0.0026667 k( 193) = ( 0.3571429 0.2028025 0.0000000), wk = 0.0026667 k( 194) = ( 0.3392857 0.1926624 0.0000000), wk = 0.0026667 k( 195) = ( 0.3214286 0.1825223 0.0000000), wk = 0.0026667 k( 196) = ( 0.3035714 0.1723821 0.0000000), wk = 0.0026667 k( 197) = ( 0.2857143 0.1622420 0.0000000), wk = 0.0026667 k( 198) = ( 0.2678571 0.1521019 0.0000000), wk = 0.0026667 k( 199) = ( 0.2500000 0.1419618 0.0000000), wk = 0.0026667 k( 200) = ( 0.2321429 0.1318216 0.0000000), wk = 0.0026667 k( 201) = ( 0.2142857 0.1216815 0.0000000), wk = 0.0026667 k( 202) = ( 0.1964286 0.1115414 0.0000000), wk = 0.0026667 k( 203) = ( 0.1785714 0.1014013 0.0000000), wk = 0.0026667 k( 204) = ( 0.1607143 0.0912611 0.0000000), wk = 0.0026667 k( 205) = ( 0.1428571 0.0811210 0.0000000), wk = 0.0026667 k( 206) = ( 0.1250000 0.0709809 0.0000000), wk = 0.0026667 k( 207) = ( 0.1071429 0.0608408 0.0000000), wk = 0.0026667 k( 208) = ( 0.0892857 0.0507006 0.0000000), wk = 0.0026667 k( 209) = ( 0.0714286 0.0405605 0.0000000), wk = 0.0026667 k( 210) = ( 0.0535714 0.0304204 0.0000000), wk = 0.0026667 k( 211) = ( 0.0357143 0.0202803 0.0000000), wk = 0.0026667 k( 212) = ( 0.0178571 0.0101401 0.0000000), wk = 0.0026667 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 215) = ( 0.0081878 -0.0144190 0.0119858), wk = 0.0026667 k( 216) = ( 0.0163755 -0.0288379 0.0239716), wk = 0.0026667 k( 217) = ( 0.0245633 -0.0432569 0.0359574), wk = 0.0026667 k( 218) = ( 0.0327511 -0.0576759 0.0479432), wk = 0.0026667 k( 219) = ( 0.0409389 -0.0720949 0.0599289), wk = 0.0026667 k( 220) = ( 0.0491266 -0.0865138 0.0719147), wk = 0.0026667 k( 221) = ( 0.0573144 -0.1009328 0.0839005), wk = 0.0026667 k( 222) = ( 0.0655022 -0.1153518 0.0958863), wk = 0.0026667 k( 223) = ( 0.0736899 -0.1297707 0.1078721), wk = 0.0026667 k( 224) = ( 0.0818777 -0.1441897 0.1198579), wk = 0.0026667 k( 225) = ( 0.0900655 -0.1586087 0.1318437), wk = 0.0026667 k( 226) = ( 0.0982533 -0.1730277 0.1438295), wk = 0.0026667 k( 227) = ( 0.1064410 -0.1874466 0.1558152), wk = 0.0026667 k( 228) = ( 0.1146288 -0.2018656 0.1678010), wk = 0.0026667 k( 229) = ( 0.1228166 -0.2162846 0.1797868), wk = 0.0026667 k( 230) = ( 0.1310043 -0.2307036 0.1917726), wk = 0.0026667 k( 231) = ( 0.1391921 -0.2451225 0.2037584), wk = 0.0026667 k( 232) = ( 0.1473799 -0.2595415 0.2157442), wk = 0.0026667 k( 233) = ( 0.1555677 -0.2739605 0.2277300), wk = 0.0026667 k( 234) = ( 0.1637554 -0.2883795 0.2397158), wk = 0.0026667 k( 235) = ( 0.1719432 -0.3027984 0.2517015), wk = 0.0026667 k( 236) = ( 0.1801310 -0.3172174 0.2636873), wk = 0.0026667 k( 237) = ( 0.1883188 -0.3316364 0.2756731), wk = 0.0026667 k( 238) = ( 0.1965065 -0.3460554 0.2876589), wk = 0.0026667 k( 239) = ( 0.2046943 -0.3604743 0.2996447), wk = 0.0026667 k( 240) = ( 0.2128821 -0.3748933 0.3116305), wk = 0.0026667 k( 241) = ( 0.2210698 -0.3893123 0.3236163), wk = 0.0026667 k( 242) = ( 0.2292576 -0.4037313 0.3356021), wk = 0.0026667 k( 243) = ( 0.2374454 -0.4181502 0.3475879), wk = 0.0026667 k( 244) = ( 0.2456331 -0.4325692 0.3595736), wk = 0.0026667 k( 245) = ( 0.2538209 -0.4469882 0.3715594), wk = 0.0026667 k( 246) = ( 0.2620087 -0.4614071 0.3835452), wk = 0.0026667 k( 247) = ( 0.2701965 -0.4758261 0.3955310), wk = 0.0026667 k( 248) = ( 0.2783842 -0.4902451 0.4075168), wk = 0.0026667 k( 249) = ( 0.2865720 -0.5046641 0.4195026), wk = 0.0026667 k( 250) = ( 0.2947598 -0.5190830 0.4314884), wk = 0.0026667 k( 251) = ( 0.3029476 -0.5335020 0.4434742), wk = 0.0026667 k( 252) = ( 0.3029476 -0.5335020 0.4434742), wk = 0.0026667 k( 253) = ( 0.3152633 -0.5188017 0.4386299), wk = 0.0026667 k( 254) = ( 0.3275791 -0.5041015 0.4337857), wk = 0.0026667 k( 255) = ( 0.3398949 -0.4894012 0.4289414), wk = 0.0026667 k( 256) = ( 0.3522107 -0.4747009 0.4240972), wk = 0.0026667 k( 257) = ( 0.3645264 -0.4600006 0.4192529), wk = 0.0026667 k( 258) = ( 0.3768422 -0.4453004 0.4144087), wk = 0.0026667 k( 259) = ( 0.3891580 -0.4306001 0.4095644), wk = 0.0026667 k( 260) = ( 0.4014738 -0.4158998 0.4047202), wk = 0.0026667 k( 261) = ( 0.4137896 -0.4011995 0.3998759), wk = 0.0026667 k( 262) = ( 0.4261053 -0.3864993 0.3950316), wk = 0.0026667 k( 263) = ( 0.4384211 -0.3717990 0.3901874), wk = 0.0026667 k( 264) = ( 0.4507369 -0.3570987 0.3853431), wk = 0.0026667 k( 265) = ( 0.4630527 -0.3423984 0.3804989), wk = 0.0026667 k( 266) = ( 0.4753684 -0.3276982 0.3756546), wk = 0.0026667 k( 267) = ( 0.4876842 -0.3129979 0.3708104), wk = 0.0026667 k( 268) = ( 0.5000000 -0.2982976 0.3659661), wk = 0.0026667 k( 269) = ( 0.5000000 -0.2982976 0.3659661), wk = 0.0026667 k( 270) = ( 0.4940476 -0.2878152 0.3826427), wk = 0.0026667 k( 271) = ( 0.4880952 -0.2773329 0.3993192), wk = 0.0026667 k( 272) = ( 0.4821429 -0.2668505 0.4159958), wk = 0.0026667 k( 273) = ( 0.4761905 -0.2563682 0.4326723), wk = 0.0026667 k( 274) = ( 0.4702381 -0.2458858 0.4493489), wk = 0.0026667 k( 275) = ( 0.4642857 -0.2354034 0.4660255), wk = 0.0026667 k( 276) = ( 0.4583333 -0.2249210 0.4827020), wk = 0.0026667 k( 277) = ( 0.4523810 -0.2144387 0.4993786), wk = 0.0026667 k( 278) = ( 0.4464286 -0.2039563 0.5160551), wk = 0.0026667 k( 279) = ( 0.4404762 -0.1934739 0.5327317), wk = 0.0026667 k( 280) = ( 0.4345238 -0.1829916 0.5494083), wk = 0.0026667 k( 281) = ( 0.4285714 -0.1725092 0.5660848), wk = 0.0026667 k( 282) = ( 0.4226190 -0.1620269 0.5827614), wk = 0.0026667 k( 283) = ( 0.4166667 -0.1515445 0.5994379), wk = 0.0026667 k( 284) = ( 0.4107143 -0.1410621 0.6161145), wk = 0.0026667 k( 285) = ( 0.4047619 -0.1305797 0.6327911), wk = 0.0026667 k( 286) = ( 0.3988095 -0.1200974 0.6494676), wk = 0.0026667 k( 287) = ( 0.3928571 -0.1096150 0.6661442), wk = 0.0026667 k( 288) = ( 0.3869048 -0.0991326 0.6828207), wk = 0.0026667 k( 289) = ( 0.3809524 -0.0886503 0.6994973), wk = 0.0026667 k( 290) = ( 0.3750000 -0.0781679 0.7161738), wk = 0.0026667 k( 291) = ( 0.3690476 -0.0676856 0.7328504), wk = 0.0026667 k( 292) = ( 0.3630952 -0.0572032 0.7495269), wk = 0.0026667 k( 293) = ( 0.3571429 -0.0467208 0.7662035), wk = 0.0026667 k( 294) = ( 0.3511905 -0.0362385 0.7828801), wk = 0.0026667 k( 295) = ( 0.3452381 -0.0257561 0.7995566), wk = 0.0026667 k( 296) = ( 0.3392857 -0.0152737 0.8162332), wk = 0.0026667 k( 297) = ( 0.3333333 -0.0047914 0.8329098), wk = 0.0026667 k( 298) = ( 0.3273810 0.0056910 0.8495863), wk = 0.0026667 k( 299) = ( 0.3214286 0.0161734 0.8662629), wk = 0.0026667 k( 300) = ( 0.3154762 0.0266557 0.8829394), wk = 0.0026667 k( 301) = ( 0.3095238 0.0371381 0.8996160), wk = 0.0026667 k( 302) = ( 0.3035714 0.0476205 0.9162925), wk = 0.0026667 k( 303) = ( 0.2976190 0.0581028 0.9329691), wk = 0.0026667 k( 304) = ( 0.2916667 0.0685852 0.9496456), wk = 0.0026667 k( 305) = ( 0.2857143 0.0790676 0.9663222), wk = 0.0026667 k( 306) = ( 0.2797619 0.0895499 0.9829988), wk = 0.0026667 k( 307) = ( 0.2738095 0.1000323 0.9996753), wk = 0.0026667 k( 308) = ( 0.2678571 0.1105147 1.0163519), wk = 0.0026667 k( 309) = ( 0.2619048 0.1209970 1.0330284), wk = 0.0026667 k( 310) = ( 0.2559524 0.1314794 1.0497050), wk = 0.0026667 k( 311) = ( 0.2500000 0.1419618 1.0663816), wk = 0.0026667 k( 312) = ( 0.0806126 -0.1419618 1.0663816), wk = 0.0026667 k( 313) = ( 0.0864635 -0.1522655 1.0499893), wk = 0.0026667 k( 314) = ( 0.0923144 -0.1625692 1.0335970), wk = 0.0026667 k( 315) = ( 0.0981653 -0.1728728 1.0172046), wk = 0.0026667 k( 316) = ( 0.1040163 -0.1831765 1.0008123), wk = 0.0026667 k( 317) = ( 0.1098672 -0.1934802 0.9844200), wk = 0.0026667 k( 318) = ( 0.1157181 -0.2037839 0.9680277), wk = 0.0026667 k( 319) = ( 0.1215690 -0.2140876 0.9516354), wk = 0.0026667 k( 320) = ( 0.1274199 -0.2243913 0.9352431), wk = 0.0026667 k( 321) = ( 0.1332709 -0.2346950 0.9188508), wk = 0.0026667 k( 322) = ( 0.1391218 -0.2449987 0.9024586), wk = 0.0026667 k( 323) = ( 0.1449727 -0.2553024 0.8860663), wk = 0.0026667 k( 324) = ( 0.1508236 -0.2656061 0.8696740), wk = 0.0026667 k( 325) = ( 0.1566745 -0.2759097 0.8532817), wk = 0.0026667 k( 326) = ( 0.1625255 -0.2862134 0.8368894), wk = 0.0026667 k( 327) = ( 0.1683764 -0.2965171 0.8204971), wk = 0.0026667 k( 328) = ( 0.1742273 -0.3068208 0.8041048), wk = 0.0026667 k( 329) = ( 0.1800782 -0.3171245 0.7877125), wk = 0.0026667 k( 330) = ( 0.1859291 -0.3274282 0.7713202), wk = 0.0026667 k( 331) = ( 0.1917801 -0.3377319 0.7549279), wk = 0.0026667 k( 332) = ( 0.1976310 -0.3480356 0.7385356), wk = 0.0026667 k( 333) = ( 0.2034819 -0.3583393 0.7221433), wk = 0.0026667 k( 334) = ( 0.2093328 -0.3686429 0.7057510), wk = 0.0026667 k( 335) = ( 0.2151837 -0.3789466 0.6893587), wk = 0.0026667 k( 336) = ( 0.2210347 -0.3892503 0.6729664), wk = 0.0026667 k( 337) = ( 0.2268856 -0.3995540 0.6565741), wk = 0.0026667 k( 338) = ( 0.2327365 -0.4098577 0.6401818), wk = 0.0026667 k( 339) = ( 0.2385874 -0.4201614 0.6237895), wk = 0.0026667 k( 340) = ( 0.2444383 -0.4304651 0.6073971), wk = 0.0026667 k( 341) = ( 0.2502893 -0.4407688 0.5910049), wk = 0.0026667 k( 342) = ( 0.2561402 -0.4510725 0.5746126), wk = 0.0026667 k( 343) = ( 0.2619911 -0.4613762 0.5582203), wk = 0.0026667 k( 344) = ( 0.2678420 -0.4716799 0.5418280), wk = 0.0026667 k( 345) = ( 0.2736929 -0.4819836 0.5254357), wk = 0.0026667 k( 346) = ( 0.2795439 -0.4922872 0.5090434), wk = 0.0026667 k( 347) = ( 0.2853948 -0.5025909 0.4926511), wk = 0.0026667 k( 348) = ( 0.2912457 -0.5128946 0.4762588), wk = 0.0026667 k( 349) = ( 0.2970966 -0.5231983 0.4598665), wk = 0.0026667 k( 350) = ( 0.3029476 -0.5335020 0.4434742), wk = 0.0026667 k( 351) = ( 0.6970525 -0.0630932 0.2884581), wk = 0.0026667 k( 352) = ( 0.6888419 -0.0486342 0.2764390), wk = 0.0026667 k( 353) = ( 0.6806314 -0.0341752 0.2644199), wk = 0.0026667 k( 354) = ( 0.6724209 -0.0197161 0.2524008), wk = 0.0026667 k( 355) = ( 0.6642104 -0.0052571 0.2403817), wk = 0.0026667 k( 356) = ( 0.6559999 0.0092019 0.2283627), wk = 0.0026667 k( 357) = ( 0.6477893 0.0236610 0.2163436), wk = 0.0026667 k( 358) = ( 0.6395788 0.0381200 0.2043245), wk = 0.0026667 k( 359) = ( 0.6313683 0.0525790 0.1923054), wk = 0.0026667 k( 360) = ( 0.6231578 0.0670381 0.1802863), wk = 0.0026667 k( 361) = ( 0.6149473 0.0814971 0.1682672), wk = 0.0026667 k( 362) = ( 0.6067367 0.0959561 0.1562481), wk = 0.0026667 k( 363) = ( 0.5985262 0.1104152 0.1442290), wk = 0.0026667 k( 364) = ( 0.5903157 0.1248742 0.1322100), wk = 0.0026667 k( 365) = ( 0.5821052 0.1393332 0.1201909), wk = 0.0026667 k( 366) = ( 0.5738947 0.1537923 0.1081718), wk = 0.0026667 k( 367) = ( 0.5656842 0.1682513 0.0961527), wk = 0.0026667 k( 368) = ( 0.5574736 0.1827103 0.0841336), wk = 0.0026667 k( 369) = ( 0.5492631 0.1971694 0.0721145), wk = 0.0026667 k( 370) = ( 0.5410526 0.2116284 0.0600954), wk = 0.0026667 k( 371) = ( 0.5328421 0.2260874 0.0480763), wk = 0.0026667 k( 372) = ( 0.5246316 0.2405464 0.0360573), wk = 0.0026667 k( 373) = ( 0.5164210 0.2550055 0.0240382), wk = 0.0026667 k( 374) = ( 0.5082105 0.2694645 0.0120191), wk = 0.0026667 k( 375) = ( 0.5000000 0.2839235 0.0000000), wk = 0.0026667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( -0.0059078 0.0059078 0.0059078), wk = 0.0026667 k( 3) = ( -0.0118155 0.0118155 0.0118155), wk = 0.0026667 k( 4) = ( -0.0177233 0.0177233 0.0177233), wk = 0.0026667 k( 5) = ( -0.0236311 0.0236311 0.0236311), wk = 0.0026667 k( 6) = ( -0.0295388 0.0295388 0.0295388), wk = 0.0026667 k( 7) = ( -0.0354466 0.0354466 0.0354466), wk = 0.0026667 k( 8) = ( -0.0413544 0.0413544 0.0413544), wk = 0.0026667 k( 9) = ( -0.0472621 0.0472621 0.0472621), wk = 0.0026667 k( 10) = ( -0.0531699 0.0531699 0.0531699), wk = 0.0026667 k( 11) = ( -0.0590777 0.0590777 0.0590777), wk = 0.0026667 k( 12) = ( -0.0649854 0.0649854 0.0649854), wk = 0.0026667 k( 13) = ( -0.0708932 0.0708932 0.0708932), wk = 0.0026667 k( 14) = ( -0.0768010 0.0768010 0.0768010), wk = 0.0026667 k( 15) = ( -0.0827087 0.0827087 0.0827087), wk = 0.0026667 k( 16) = ( -0.0886165 0.0886165 0.0886165), wk = 0.0026667 k( 17) = ( -0.0945243 0.0945243 0.0945243), wk = 0.0026667 k( 18) = ( -0.1004320 0.1004320 0.1004320), wk = 0.0026667 k( 19) = ( -0.1063398 0.1063398 0.1063398), wk = 0.0026667 k( 20) = ( -0.1122476 0.1122476 0.1122476), wk = 0.0026667 k( 21) = ( -0.1181553 0.1181553 0.1181553), wk = 0.0026667 k( 22) = ( -0.1240631 0.1240631 0.1240631), wk = 0.0026667 k( 23) = ( -0.1299709 0.1299709 0.1299709), wk = 0.0026667 k( 24) = ( -0.1358786 0.1358786 0.1358786), wk = 0.0026667 k( 25) = ( -0.1417864 0.1417864 0.1417864), wk = 0.0026667 k( 26) = ( -0.1476942 0.1476942 0.1476942), wk = 0.0026667 k( 27) = ( -0.1536019 0.1536019 0.1536019), wk = 0.0026667 k( 28) = ( -0.1595097 0.1595097 0.1595097), wk = 0.0026667 k( 29) = ( -0.1654175 0.1654175 0.1654175), wk = 0.0026667 k( 30) = ( -0.1713252 0.1713252 0.1713252), wk = 0.0026667 k( 31) = ( -0.1772330 0.1772330 0.1772330), wk = 0.0026667 k( 32) = ( -0.1831408 0.1831408 0.1831408), wk = 0.0026667 k( 33) = ( -0.1890485 0.1890485 0.1890485), wk = 0.0026667 k( 34) = ( -0.1949563 0.1949563 0.1949563), wk = 0.0026667 k( 35) = ( -0.2008641 0.2008641 0.2008641), wk = 0.0026667 k( 36) = ( -0.2067718 0.2067718 0.2067718), wk = 0.0026667 k( 37) = ( -0.2126796 0.2126796 0.2126796), wk = 0.0026667 k( 38) = ( -0.2185874 0.2185874 0.2185874), wk = 0.0026667 k( 39) = ( -0.2244951 0.2244951 0.2244951), wk = 0.0026667 k( 40) = ( -0.2304029 0.2304029 0.2304029), wk = 0.0026667 k( 41) = ( -0.2363107 0.2363107 0.2363107), wk = 0.0026667 k( 42) = ( -0.2422184 0.2422184 0.2422184), wk = 0.0026667 k( 43) = ( -0.2481262 0.2481262 0.2481262), wk = 0.0026667 k( 44) = ( -0.2540340 0.2540340 0.2540340), wk = 0.0026667 k( 45) = ( -0.2599417 0.2599417 0.2599417), wk = 0.0026667 k( 46) = ( -0.2658495 0.2658495 0.2658495), wk = 0.0026667 k( 47) = ( -0.2717573 0.2717573 0.2717573), wk = 0.0026667 k( 48) = ( -0.2776650 0.2776650 0.2776650), wk = 0.0026667 k( 49) = ( -0.2776650 0.2776650 0.2776650), wk = 0.0026667 k( 50) = ( -0.2694545 0.2694545 0.2858755), wk = 0.0026667 k( 51) = ( -0.2612440 0.2612440 0.2940861), wk = 0.0026667 k( 52) = ( -0.2530335 0.2530335 0.3022966), wk = 0.0026667 k( 53) = ( -0.2448230 0.2448229 0.3105071), wk = 0.0026667 k( 54) = ( -0.2366124 0.2366124 0.3187176), wk = 0.0026667 k( 55) = ( -0.2284019 0.2284019 0.3269281), wk = 0.0026667 k( 56) = ( -0.2201914 0.2201914 0.3351387), wk = 0.0026667 k( 57) = ( -0.2119809 0.2119809 0.3433492), wk = 0.0026667 k( 58) = ( -0.2037704 0.2037704 0.3515597), wk = 0.0026667 k( 59) = ( -0.1955598 0.1955598 0.3597702), wk = 0.0026667 k( 60) = ( -0.1873493 0.1873493 0.3679807), wk = 0.0026667 k( 61) = ( -0.1791388 0.1791388 0.3761913), wk = 0.0026667 k( 62) = ( -0.1709283 0.1709283 0.3844018), wk = 0.0026667 k( 63) = ( -0.1627178 0.1627178 0.3926123), wk = 0.0026667 k( 64) = ( -0.1545072 0.1545072 0.4008228), wk = 0.0026667 k( 65) = ( -0.1462967 0.1462967 0.4090333), wk = 0.0026667 k( 66) = ( -0.1380862 0.1380862 0.4172438), wk = 0.0026667 k( 67) = ( -0.1298757 0.1298757 0.4254544), wk = 0.0026667 k( 68) = ( -0.1216652 0.1216652 0.4336649), wk = 0.0026667 k( 69) = ( -0.1134547 0.1134546 0.4418754), wk = 0.0026667 k( 70) = ( -0.1052441 0.1052441 0.4500859), wk = 0.0026667 k( 71) = ( -0.0970336 0.0970336 0.4582964), wk = 0.0026667 k( 72) = ( -0.0888231 0.0888231 0.4665070), wk = 0.0026667 k( 73) = ( -0.0806126 0.0806126 0.4747175), wk = 0.0026667 k( 74) = ( -0.0806126 0.0806126 0.4747175), wk = 0.0026667 k( 75) = ( -0.0705360 0.0705360 0.4778778), wk = 0.0026667 k( 76) = ( -0.0604594 0.0604594 0.4810381), wk = 0.0026667 k( 77) = ( -0.0503829 0.0503829 0.4841984), wk = 0.0026667 k( 78) = ( -0.0403063 0.0403063 0.4873587), wk = 0.0026667 k( 79) = ( -0.0302297 0.0302297 0.4905190), wk = 0.0026667 k( 80) = ( -0.0201531 0.0201531 0.4936794), wk = 0.0026667 k( 81) = ( -0.0100766 0.0100766 0.4968397), wk = 0.0026667 k( 82) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 83) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 84) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0026667 k( 85) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0026667 k( 86) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0026667 k( 87) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0026667 k( 88) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0026667 k( 89) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0026667 k( 90) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0026667 k( 91) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0026667 k( 92) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0026667 k( 93) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0026667 k( 94) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0026667 k( 95) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0026667 k( 96) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0026667 k( 97) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026667 k( 98) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026667 k( 99) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0026667 k( 100) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0026667 k( 101) = ( 0.2258064 0.2741936 0.2258065), wk = 0.0026667 k( 102) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0026667 k( 103) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0026667 k( 104) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0026667 k( 105) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0026667 k( 106) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0026667 k( 107) = ( 0.1774194 0.3225807 0.1774193), wk = 0.0026667 k( 108) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0026667 k( 109) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0026667 k( 110) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0026667 k( 111) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0026667 k( 112) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0026667 k( 113) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0026667 k( 114) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0026667 k( 115) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0026667 k( 116) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0026667 k( 117) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0026667 k( 118) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0026667 k( 119) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0026667 k( 120) = ( 0.0725806 0.4274193 0.0725807), wk = 0.0026667 k( 121) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0026667 k( 122) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0026667 k( 123) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0026667 k( 124) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0026667 k( 125) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0026667 k( 126) = ( 0.0241936 0.4758065 0.0241935), wk = 0.0026667 k( 127) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0026667 k( 128) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0026667 k( 129) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026667 k( 130) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026667 k( 131) = ( 0.0185110 0.5148223 -0.0185110), wk = 0.0026667 k( 132) = ( 0.0370220 0.5296447 -0.0370220), wk = 0.0026667 k( 133) = ( 0.0555330 0.5444670 -0.0555330), wk = 0.0026667 k( 134) = ( 0.0740440 0.5592893 -0.0740440), wk = 0.0026667 k( 135) = ( 0.0925550 0.5741117 -0.0925550), wk = 0.0026667 k( 136) = ( 0.1110660 0.5889340 -0.1110660), wk = 0.0026667 k( 137) = ( 0.1295770 0.6037563 -0.1295770), wk = 0.0026667 k( 138) = ( 0.1480880 0.6185787 -0.1480880), wk = 0.0026667 k( 139) = ( 0.1665990 0.6334010 -0.1665990), wk = 0.0026667 k( 140) = ( 0.1851100 0.6482233 -0.1851100), wk = 0.0026667 k( 141) = ( 0.2036210 0.6630457 -0.2036210), wk = 0.0026667 k( 142) = ( 0.2221320 0.6778680 -0.2221320), wk = 0.0026667 k( 143) = ( 0.2406430 0.6926903 -0.2406430), wk = 0.0026667 k( 144) = ( 0.2591540 0.7075126 -0.2591540), wk = 0.0026667 k( 145) = ( 0.2776650 0.7223350 -0.2776650), wk = 0.0026667 k( 146) = ( 0.2776650 0.7223350 -0.2776650), wk = 0.0026667 k( 147) = ( 0.2835159 0.7164841 -0.2835159), wk = 0.0026667 k( 148) = ( 0.2893669 0.7106331 -0.2893669), wk = 0.0026667 k( 149) = ( 0.2952178 0.7047822 -0.2952178), wk = 0.0026667 k( 150) = ( 0.3010687 0.6989313 -0.3010687), wk = 0.0026667 k( 151) = ( 0.3069196 0.6930804 -0.3069196), wk = 0.0026667 k( 152) = ( 0.3127705 0.6872295 -0.3127705), wk = 0.0026667 k( 153) = ( 0.3186215 0.6813785 -0.3186215), wk = 0.0026667 k( 154) = ( 0.3244724 0.6755276 -0.3244724), wk = 0.0026667 k( 155) = ( 0.3303233 0.6696767 -0.3303233), wk = 0.0026667 k( 156) = ( 0.3361742 0.6638258 -0.3361742), wk = 0.0026667 k( 157) = ( 0.3420252 0.6579748 -0.3420252), wk = 0.0026667 k( 158) = ( 0.3478761 0.6521239 -0.3478761), wk = 0.0026667 k( 159) = ( 0.3537270 0.6462730 -0.3537270), wk = 0.0026667 k( 160) = ( 0.3595779 0.6404221 -0.3595779), wk = 0.0026667 k( 161) = ( 0.3654288 0.6345712 -0.3654288), wk = 0.0026667 k( 162) = ( 0.3712798 0.6287203 -0.3712798), wk = 0.0026667 k( 163) = ( 0.3771307 0.6228693 -0.3771307), wk = 0.0026667 k( 164) = ( 0.3829816 0.6170184 -0.3829816), wk = 0.0026667 k( 165) = ( 0.3888325 0.6111675 -0.3888325), wk = 0.0026667 k( 166) = ( 0.3946834 0.6053166 -0.3946834), wk = 0.0026667 k( 167) = ( 0.4005343 0.5994656 -0.4005343), wk = 0.0026667 k( 168) = ( 0.4063853 0.5936147 -0.4063853), wk = 0.0026667 k( 169) = ( 0.4122362 0.5877638 -0.4122362), wk = 0.0026667 k( 170) = ( 0.4180871 0.5819129 -0.4180871), wk = 0.0026667 k( 171) = ( 0.4239380 0.5760620 -0.4239380), wk = 0.0026667 k( 172) = ( 0.4297890 0.5702110 -0.4297890), wk = 0.0026667 k( 173) = ( 0.4356399 0.5643601 -0.4356399), wk = 0.0026667 k( 174) = ( 0.4414908 0.5585092 -0.4414908), wk = 0.0026667 k( 175) = ( 0.4473417 0.5526583 -0.4473417), wk = 0.0026667 k( 176) = ( 0.4531926 0.5468074 -0.4531926), wk = 0.0026667 k( 177) = ( 0.4590436 0.5409564 -0.4590436), wk = 0.0026667 k( 178) = ( 0.4648945 0.5351055 -0.4648945), wk = 0.0026667 k( 179) = ( 0.4707454 0.5292546 -0.4707454), wk = 0.0026667 k( 180) = ( 0.4765963 0.5234037 -0.4765963), wk = 0.0026667 k( 181) = ( 0.4824472 0.5175528 -0.4824472), wk = 0.0026667 k( 182) = ( 0.4882982 0.5117018 -0.4882982), wk = 0.0026667 k( 183) = ( 0.4941491 0.5058509 -0.4941491), wk = 0.0026667 k( 184) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026667 k( 185) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026667 k( 186) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0026667 k( 187) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0026667 k( 188) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0026667 k( 189) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0026667 k( 190) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0026667 k( 191) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0026667 k( 192) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0026667 k( 193) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0026667 k( 194) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0026667 k( 195) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0026667 k( 196) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0026667 k( 197) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0026667 k( 198) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0026667 k( 199) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0026667 k( 200) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0026667 k( 201) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0026667 k( 202) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0026667 k( 203) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0026667 k( 204) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0026667 k( 205) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0026667 k( 206) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0026667 k( 207) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0026667 k( 208) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0026667 k( 209) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0026667 k( 210) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0026667 k( 211) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0026667 k( 212) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0026667 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 215) = ( 0.0081878 -0.0081878 0.0081878), wk = 0.0026667 k( 216) = ( 0.0163755 -0.0163755 0.0163755), wk = 0.0026667 k( 217) = ( 0.0245633 -0.0245633 0.0245633), wk = 0.0026667 k( 218) = ( 0.0327511 -0.0327511 0.0327511), wk = 0.0026667 k( 219) = ( 0.0409389 -0.0409389 0.0409389), wk = 0.0026667 k( 220) = ( 0.0491266 -0.0491266 0.0491266), wk = 0.0026667 k( 221) = ( 0.0573144 -0.0573144 0.0573144), wk = 0.0026667 k( 222) = ( 0.0655022 -0.0655022 0.0655022), wk = 0.0026667 k( 223) = ( 0.0736899 -0.0736899 0.0736899), wk = 0.0026667 k( 224) = ( 0.0818777 -0.0818777 0.0818777), wk = 0.0026667 k( 225) = ( 0.0900655 -0.0900655 0.0900655), wk = 0.0026667 k( 226) = ( 0.0982533 -0.0982533 0.0982533), wk = 0.0026667 k( 227) = ( 0.1064410 -0.1064410 0.1064410), wk = 0.0026667 k( 228) = ( 0.1146288 -0.1146288 0.1146288), wk = 0.0026667 k( 229) = ( 0.1228166 -0.1228166 0.1228166), wk = 0.0026667 k( 230) = ( 0.1310043 -0.1310043 0.1310044), wk = 0.0026667 k( 231) = ( 0.1391921 -0.1391921 0.1391921), wk = 0.0026667 k( 232) = ( 0.1473799 -0.1473799 0.1473799), wk = 0.0026667 k( 233) = ( 0.1555677 -0.1555677 0.1555677), wk = 0.0026667 k( 234) = ( 0.1637554 -0.1637554 0.1637554), wk = 0.0026667 k( 235) = ( 0.1719432 -0.1719432 0.1719432), wk = 0.0026667 k( 236) = ( 0.1801310 -0.1801310 0.1801310), wk = 0.0026667 k( 237) = ( 0.1883188 -0.1883188 0.1883187), wk = 0.0026667 k( 238) = ( 0.1965065 -0.1965065 0.1965065), wk = 0.0026667 k( 239) = ( 0.2046943 -0.2046943 0.2046943), wk = 0.0026667 k( 240) = ( 0.2128821 -0.2128821 0.2128821), wk = 0.0026667 k( 241) = ( 0.2210698 -0.2210698 0.2210698), wk = 0.0026667 k( 242) = ( 0.2292576 -0.2292576 0.2292576), wk = 0.0026667 k( 243) = ( 0.2374454 -0.2374454 0.2374454), wk = 0.0026667 k( 244) = ( 0.2456331 -0.2456331 0.2456331), wk = 0.0026667 k( 245) = ( 0.2538209 -0.2538209 0.2538209), wk = 0.0026667 k( 246) = ( 0.2620087 -0.2620087 0.2620087), wk = 0.0026667 k( 247) = ( 0.2701965 -0.2701965 0.2701965), wk = 0.0026667 k( 248) = ( 0.2783842 -0.2783842 0.2783842), wk = 0.0026667 k( 249) = ( 0.2865720 -0.2865720 0.2865720), wk = 0.0026667 k( 250) = ( 0.2947598 -0.2947598 0.2947598), wk = 0.0026667 k( 251) = ( 0.3029476 -0.3029476 0.3029476), wk = 0.0026667 k( 252) = ( 0.3029476 -0.3029476 0.3029476), wk = 0.0026667 k( 253) = ( 0.3152633 -0.2840133 0.2840133), wk = 0.0026667 k( 254) = ( 0.3275791 -0.2650791 0.2650791), wk = 0.0026667 k( 255) = ( 0.3398949 -0.2461449 0.2461449), wk = 0.0026667 k( 256) = ( 0.3522107 -0.2272107 0.2272107), wk = 0.0026667 k( 257) = ( 0.3645264 -0.2082764 0.2082764), wk = 0.0026667 k( 258) = ( 0.3768422 -0.1893422 0.1893422), wk = 0.0026667 k( 259) = ( 0.3891580 -0.1704080 0.1704080), wk = 0.0026667 k( 260) = ( 0.4014738 -0.1514738 0.1514738), wk = 0.0026667 k( 261) = ( 0.4137896 -0.1325396 0.1325396), wk = 0.0026667 k( 262) = ( 0.4261053 -0.1136053 0.1136053), wk = 0.0026667 k( 263) = ( 0.4384211 -0.0946711 0.0946711), wk = 0.0026667 k( 264) = ( 0.4507369 -0.0757369 0.0757369), wk = 0.0026667 k( 265) = ( 0.4630527 -0.0568027 0.0568027), wk = 0.0026667 k( 266) = ( 0.4753684 -0.0378684 0.0378684), wk = 0.0026667 k( 267) = ( 0.4876842 -0.0189342 0.0189342), wk = 0.0026667 k( 268) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 269) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 270) = ( 0.4940476 0.0059524 0.0059524), wk = 0.0026667 k( 271) = ( 0.4880952 0.0119048 0.0119048), wk = 0.0026667 k( 272) = ( 0.4821429 0.0178571 0.0178571), wk = 0.0026667 k( 273) = ( 0.4761905 0.0238095 0.0238095), wk = 0.0026667 k( 274) = ( 0.4702381 0.0297619 0.0297619), wk = 0.0026667 k( 275) = ( 0.4642857 0.0357143 0.0357143), wk = 0.0026667 k( 276) = ( 0.4583333 0.0416667 0.0416667), wk = 0.0026667 k( 277) = ( 0.4523810 0.0476191 0.0476190), wk = 0.0026667 k( 278) = ( 0.4464286 0.0535714 0.0535714), wk = 0.0026667 k( 279) = ( 0.4404762 0.0595238 0.0595238), wk = 0.0026667 k( 280) = ( 0.4345238 0.0654762 0.0654762), wk = 0.0026667 k( 281) = ( 0.4285714 0.0714286 0.0714286), wk = 0.0026667 k( 282) = ( 0.4226190 0.0773809 0.0773810), wk = 0.0026667 k( 283) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0026667 k( 284) = ( 0.4107143 0.0892857 0.0892857), wk = 0.0026667 k( 285) = ( 0.4047619 0.0952381 0.0952381), wk = 0.0026667 k( 286) = ( 0.3988095 0.1011905 0.1011905), wk = 0.0026667 k( 287) = ( 0.3928571 0.1071429 0.1071429), wk = 0.0026667 k( 288) = ( 0.3869048 0.1130952 0.1130952), wk = 0.0026667 k( 289) = ( 0.3809524 0.1190476 0.1190476), wk = 0.0026667 k( 290) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0026667 k( 291) = ( 0.3690476 0.1309524 0.1309524), wk = 0.0026667 k( 292) = ( 0.3630952 0.1369048 0.1369048), wk = 0.0026667 k( 293) = ( 0.3571429 0.1428571 0.1428571), wk = 0.0026667 k( 294) = ( 0.3511905 0.1488095 0.1488095), wk = 0.0026667 k( 295) = ( 0.3452381 0.1547619 0.1547619), wk = 0.0026667 k( 296) = ( 0.3392857 0.1607143 0.1607143), wk = 0.0026667 k( 297) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0026667 k( 298) = ( 0.3273810 0.1726190 0.1726190), wk = 0.0026667 k( 299) = ( 0.3214286 0.1785714 0.1785714), wk = 0.0026667 k( 300) = ( 0.3154762 0.1845238 0.1845238), wk = 0.0026667 k( 301) = ( 0.3095238 0.1904762 0.1904762), wk = 0.0026667 k( 302) = ( 0.3035714 0.1964286 0.1964286), wk = 0.0026667 k( 303) = ( 0.2976190 0.2023810 0.2023810), wk = 0.0026667 k( 304) = ( 0.2916667 0.2083333 0.2083333), wk = 0.0026667 k( 305) = ( 0.2857143 0.2142857 0.2142857), wk = 0.0026667 k( 306) = ( 0.2797619 0.2202381 0.2202381), wk = 0.0026667 k( 307) = ( 0.2738095 0.2261905 0.2261905), wk = 0.0026667 k( 308) = ( 0.2678571 0.2321429 0.2321429), wk = 0.0026667 k( 309) = ( 0.2619048 0.2380952 0.2380952), wk = 0.0026667 k( 310) = ( 0.2559524 0.2440476 0.2440476), wk = 0.0026667 k( 311) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026667 k( 312) = ( 0.0806126 -0.0806126 0.5252825), wk = 0.0026667 k( 313) = ( 0.0864635 -0.0864635 0.5194316), wk = 0.0026667 k( 314) = ( 0.0923144 -0.0923144 0.5135807), wk = 0.0026667 k( 315) = ( 0.0981653 -0.0981653 0.5077298), wk = 0.0026667 k( 316) = ( 0.1040163 -0.1040163 0.5018788), wk = 0.0026667 k( 317) = ( 0.1098672 -0.1098672 0.4960279), wk = 0.0026667 k( 318) = ( 0.1157181 -0.1157181 0.4901770), wk = 0.0026667 k( 319) = ( 0.1215690 -0.1215690 0.4843261), wk = 0.0026667 k( 320) = ( 0.1274199 -0.1274199 0.4784752), wk = 0.0026667 k( 321) = ( 0.1332709 -0.1332709 0.4726242), wk = 0.0026667 k( 322) = ( 0.1391218 -0.1391218 0.4667733), wk = 0.0026667 k( 323) = ( 0.1449727 -0.1449727 0.4609224), wk = 0.0026667 k( 324) = ( 0.1508236 -0.1508236 0.4550715), wk = 0.0026667 k( 325) = ( 0.1566745 -0.1566745 0.4492206), wk = 0.0026667 k( 326) = ( 0.1625255 -0.1625255 0.4433696), wk = 0.0026667 k( 327) = ( 0.1683764 -0.1683764 0.4375187), wk = 0.0026667 k( 328) = ( 0.1742273 -0.1742273 0.4316678), wk = 0.0026667 k( 329) = ( 0.1800782 -0.1800782 0.4258169), wk = 0.0026667 k( 330) = ( 0.1859291 -0.1859291 0.4199660), wk = 0.0026667 k( 331) = ( 0.1917801 -0.1917801 0.4141150), wk = 0.0026667 k( 332) = ( 0.1976310 -0.1976310 0.4082641), wk = 0.0026667 k( 333) = ( 0.2034819 -0.2034819 0.4024132), wk = 0.0026667 k( 334) = ( 0.2093328 -0.2093328 0.3965623), wk = 0.0026667 k( 335) = ( 0.2151837 -0.2151837 0.3907114), wk = 0.0026667 k( 336) = ( 0.2210347 -0.2210347 0.3848604), wk = 0.0026667 k( 337) = ( 0.2268856 -0.2268856 0.3790095), wk = 0.0026667 k( 338) = ( 0.2327365 -0.2327365 0.3731586), wk = 0.0026667 k( 339) = ( 0.2385874 -0.2385874 0.3673077), wk = 0.0026667 k( 340) = ( 0.2444383 -0.2444384 0.3614567), wk = 0.0026667 k( 341) = ( 0.2502893 -0.2502893 0.3556058), wk = 0.0026667 k( 342) = ( 0.2561402 -0.2561402 0.3497549), wk = 0.0026667 k( 343) = ( 0.2619911 -0.2619911 0.3439040), wk = 0.0026667 k( 344) = ( 0.2678420 -0.2678420 0.3380531), wk = 0.0026667 k( 345) = ( 0.2736929 -0.2736929 0.3322021), wk = 0.0026667 k( 346) = ( 0.2795439 -0.2795439 0.3263512), wk = 0.0026667 k( 347) = ( 0.2853948 -0.2853948 0.3205003), wk = 0.0026667 k( 348) = ( 0.2912457 -0.2912457 0.3146494), wk = 0.0026667 k( 349) = ( 0.2970966 -0.2970966 0.3087985), wk = 0.0026667 k( 350) = ( 0.3029476 -0.3029476 0.3029476), wk = 0.0026667 k( 351) = ( 0.6970525 0.3029476 -0.3029475), wk = 0.0026667 k( 352) = ( 0.6888419 0.3111581 -0.3111581), wk = 0.0026667 k( 353) = ( 0.6806314 0.3193686 -0.3193686), wk = 0.0026667 k( 354) = ( 0.6724209 0.3275791 -0.3275791), wk = 0.0026667 k( 355) = ( 0.6642104 0.3357896 -0.3357896), wk = 0.0026667 k( 356) = ( 0.6559999 0.3440001 -0.3440001), wk = 0.0026667 k( 357) = ( 0.6477893 0.3522107 -0.3522107), wk = 0.0026667 k( 358) = ( 0.6395788 0.3604212 -0.3604212), wk = 0.0026667 k( 359) = ( 0.6313683 0.3686317 -0.3686317), wk = 0.0026667 k( 360) = ( 0.6231578 0.3768422 -0.3768422), wk = 0.0026667 k( 361) = ( 0.6149473 0.3850527 -0.3850527), wk = 0.0026667 k( 362) = ( 0.6067367 0.3932633 -0.3932633), wk = 0.0026667 k( 363) = ( 0.5985262 0.4014738 -0.4014738), wk = 0.0026667 k( 364) = ( 0.5903157 0.4096843 -0.4096843), wk = 0.0026667 k( 365) = ( 0.5821052 0.4178948 -0.4178948), wk = 0.0026667 k( 366) = ( 0.5738947 0.4261053 -0.4261053), wk = 0.0026667 k( 367) = ( 0.5656842 0.4343159 -0.4343158), wk = 0.0026667 k( 368) = ( 0.5574736 0.4425264 -0.4425264), wk = 0.0026667 k( 369) = ( 0.5492631 0.4507369 -0.4507369), wk = 0.0026667 k( 370) = ( 0.5410526 0.4589474 -0.4589474), wk = 0.0026667 k( 371) = ( 0.5328421 0.4671579 -0.4671579), wk = 0.0026667 k( 372) = ( 0.5246316 0.4753684 -0.4753684), wk = 0.0026667 k( 373) = ( 0.5164210 0.4835790 -0.4835790), wk = 0.0026667 k( 374) = ( 0.5082105 0.4917895 -0.4917895), wk = 0.0026667 k( 375) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026667 Dense grid: 46241 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 31637 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 182, 52) NL pseudopotentials 0.26 Mb ( 91, 184) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 964) G-vector shells 0.01 Mb ( 906) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 182, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.29 Mb ( 184, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Cu2GeS3.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 44.3 secs Computing kpt #: 2 total cpu time spent up to now is 47.0 secs Computing kpt #: 3 total cpu time spent up to now is 49.7 secs Computing kpt #: 4 total cpu time spent up to now is 52.2 secs Computing kpt #: 5 total cpu time spent up to now is 54.7 secs Computing kpt #: 6 total cpu time spent up to now is 57.2 secs Computing kpt #: 7 total cpu time spent up to now is 59.7 secs Computing kpt #: 8 total cpu time spent up to now is 62.2 secs Computing kpt #: 9 total cpu time spent up to now is 64.5 secs Computing kpt #: 10 total cpu time spent up to now is 67.0 secs Computing kpt #: 11 total cpu time spent up to now is 69.4 secs Computing kpt #: 12 total cpu time spent up to now is 71.7 secs Computing kpt #: 13 total cpu time spent up to now is 74.3 secs Computing kpt #: 14 total cpu time spent up to now is 76.4 secs Computing kpt #: 15 total cpu time spent up to now is 78.8 secs Computing kpt #: 16 total cpu time spent up to now is 81.2 secs Computing kpt #: 17 total cpu time spent up to now is 83.5 secs Computing kpt #: 18 total cpu time spent up to now is 85.9 secs Computing kpt #: 19 total cpu time spent up to now is 88.2 secs Computing kpt #: 20 total cpu time spent up to now is 90.5 secs Computing kpt #: 21 total cpu time spent up to now is 92.8 secs Computing kpt #: 22 total cpu time spent up to now is 95.1 secs Computing kpt #: 23 total cpu time spent up to now is 97.4 secs Computing kpt #: 24 total cpu time spent up to now is 99.8 secs Computing kpt #: 25 total cpu time spent up to now is 102.2 secs Computing kpt #: 26 total cpu time spent up to now is 104.6 secs Computing kpt #: 27 total cpu time spent up to now is 107.0 secs Computing kpt 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spent up to now is 145.3 secs Computing kpt #: 44 total cpu time spent up to now is 147.6 secs Computing kpt #: 45 total cpu time spent up to now is 149.9 secs Computing kpt #: 46 total cpu time spent up to now is 152.3 secs Computing kpt #: 47 total cpu time spent up to now is 154.6 secs Computing kpt #: 48 total cpu time spent up to now is 156.9 secs Computing kpt #: 49 total cpu time spent up to now is 159.3 secs Computing kpt #: 50 total cpu time spent up to now is 161.6 secs Computing kpt #: 51 total cpu time spent up to now is 163.9 secs Computing kpt #: 52 total cpu time spent up to now is 166.0 secs Computing kpt #: 53 total cpu time spent up to now is 168.5 secs Computing kpt #: 54 total cpu time spent up to now is 172.5 secs Computing kpt #: 55 total cpu time spent up to now is 175.3 secs Computing kpt #: 56 total cpu time spent up to now is 177.6 secs Computing kpt #: 57 total cpu time spent up to now is 180.0 secs Computing kpt #: 58 total cpu time spent up to now is 182.5 secs Computing kpt #: 59 total cpu time spent up to now is 184.9 secs Computing kpt #: 60 total cpu time spent up to now is 187.2 secs Computing kpt #: 61 total cpu time spent up to now is 189.9 secs Computing kpt #: 62 total cpu time spent up to now is 192.3 secs Computing kpt #: 63 total cpu time spent up to now is 194.6 secs Computing kpt #: 64 total cpu time spent up to now is 197.0 secs Computing kpt #: 65 total cpu time spent up to now is 199.8 secs Computing kpt #: 66 total cpu time spent up to now is 202.1 secs Computing kpt #: 67 total cpu time spent up to now is 204.5 secs Computing kpt #: 68 total cpu time spent up to now is 206.9 secs Computing kpt #: 69 total cpu time spent up to now is 209.2 secs Computing kpt #: 70 total cpu time spent up to now is 211.6 secs Computing kpt #: 71 total cpu time spent up to now is 213.9 secs Computing kpt #: 72 total cpu time spent up to now is 216.5 secs Computing kpt #: 73 total cpu time spent up to now is 218.8 secs Computing kpt #: 74 total cpu time spent up to now is 221.1 secs Computing kpt #: 75 total cpu time spent up to now is 223.7 secs Computing kpt #: 76 total cpu time spent up to now is 226.0 secs Computing kpt #: 77 total cpu time spent up to now is 228.4 secs Computing kpt #: 78 total cpu time spent up to now is 230.7 secs Computing kpt #: 79 total cpu time spent up to now is 232.9 secs Computing kpt #: 80 total cpu time spent up to now is 235.2 secs Computing kpt #: 81 total cpu time spent up to now is 237.5 secs Computing kpt #: 82 total cpu time spent up to now is 239.8 secs Computing kpt #: 83 total cpu time spent up to now is 242.3 secs Computing kpt #: 84 total cpu time spent up to now is 244.6 secs Computing kpt #: 85 total cpu time spent up to now is 247.3 secs Computing kpt #: 86 total cpu time spent up to now is 249.7 secs Computing kpt #: 87 total cpu time spent up to now is 252.2 secs Computing kpt #: 88 total cpu time spent up to now is 254.8 secs Computing kpt #: 89 total cpu time spent up to now is 257.4 secs Computing kpt #: 90 total cpu time spent up to now is 260.0 secs Computing kpt #: 91 total cpu time spent up to now is 262.4 secs Computing kpt #: 92 total cpu time spent up to now is 264.9 secs Computing kpt #: 93 total cpu time spent up to now is 267.5 secs Computing kpt #: 94 total cpu time spent up to now is 270.1 secs Computing kpt #: 95 total cpu time spent up to now is 272.8 secs Computing kpt #: 96 total cpu time spent up to now is 275.5 secs Computing kpt #: 97 total cpu time spent up to now is 278.5 secs Computing kpt #: 98 total cpu time spent up to now is 281.4 secs Computing kpt #: 99 total cpu time spent up to now is 284.3 secs Computing kpt #: 100 total cpu time spent up to now is 287.1 secs Computing kpt #: 101 total cpu time spent up to now is 290.0 secs Computing kpt #: 102 total cpu time spent up to now is 293.0 secs Computing kpt #: 103 total cpu time spent up to now is 296.0 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 301.1 secs Computing kpt #: 105 total cpu time spent up to now is 303.7 secs Computing kpt #: 106 total cpu time spent up to now is 306.5 secs Computing kpt #: 107 total cpu time spent up to now is 309.2 secs Computing kpt #: 108 total cpu time spent up to now is 311.8 secs Computing kpt #: 109 total cpu time spent up to now is 314.5 secs Computing kpt #: 110 total cpu time spent up to now is 317.0 secs Computing kpt #: 111 total cpu time spent up to now is 319.6 secs Computing kpt #: 112 total cpu time spent up to now is 322.1 secs Computing kpt #: 113 total cpu time spent up to now is 324.6 secs Computing kpt #: 114 total cpu time spent up to now is 327.3 secs Computing kpt #: 115 total cpu time spent up to now is 329.8 secs Computing kpt #: 116 total cpu time spent up to now is 332.4 secs Computing kpt #: 117 total cpu time spent up to now is 334.9 secs Computing kpt #: 118 total cpu time spent up to now is 337.6 secs Computing kpt #: 119 total cpu time spent up to now is 340.2 secs Computing kpt #: 120 total cpu time spent up to now is 342.6 secs Computing kpt #: 121 total cpu time spent up to now is 345.1 secs Computing kpt #: 122 total cpu time spent up to now is 347.7 secs Computing kpt #: 123 total cpu time spent up to now is 350.4 secs Computing kpt #: 124 total cpu time spent up to now is 353.0 secs Computing kpt #: 125 total cpu time spent up to now is 355.7 secs Computing kpt #: 126 total cpu time spent up to now is 358.1 secs Computing kpt #: 127 total cpu time spent up to now is 360.7 secs Computing kpt #: 128 total cpu time spent up to now is 363.1 secs Computing kpt #: 129 total cpu time spent up to now is 365.5 secs Computing kpt #: 130 total cpu time spent up to now is 367.9 secs Computing kpt #: 131 total cpu time spent up to now is 370.3 secs Computing kpt #: 132 total cpu time spent up to now is 372.7 secs Computing kpt #: 133 total cpu time spent up to now is 375.2 secs Computing kpt #: 134 total cpu time spent up to now is 377.6 secs Computing kpt #: 135 total cpu time spent up to now is 380.1 secs Computing kpt #: 136 total cpu time spent up to now is 382.5 secs Computing kpt #: 137 total cpu time spent up to now is 385.0 secs Computing kpt #: 138 total cpu time spent up to now is 387.4 secs Computing kpt #: 139 total cpu time spent up to now is 389.8 secs Computing kpt #: 140 total cpu time spent up to now is 392.2 secs Computing kpt #: 141 total cpu time spent up to now is 394.7 secs Computing kpt #: 142 total cpu time spent up to now is 397.2 secs Computing kpt #: 143 total cpu time spent up to now is 399.6 secs Computing kpt #: 144 total cpu time spent up to now is 401.9 secs Computing kpt #: 145 total cpu time spent up to now is 404.4 secs Computing kpt #: 146 total cpu time spent up to now is 406.8 secs Computing kpt #: 147 total cpu time spent up to now is 409.2 secs Computing kpt #: 148 total cpu time spent up to now is 411.5 secs Computing kpt #: 149 total cpu time spent up to now is 413.9 secs Computing kpt #: 150 total cpu time spent up to now is 416.1 secs Computing kpt #: 151 total cpu time spent up to now is 418.2 secs Computing kpt #: 152 total cpu time spent up to now is 420.3 secs Computing kpt #: 153 total cpu time spent up to now is 422.4 secs Computing kpt #: 154 total cpu time spent up to now is 424.6 secs Computing kpt #: 155 total cpu time spent up to now is 426.7 secs Computing kpt #: 156 total cpu time spent up to now is 428.8 secs Computing kpt #: 157 total cpu time spent up to now is 430.9 secs Computing kpt #: 158 total cpu time spent up to now is 433.0 secs Computing kpt #: 159 total cpu time spent up to now is 435.1 secs Computing kpt #: 160 total cpu time spent up to now is 437.1 secs Computing kpt #: 161 total cpu time spent up to now is 439.1 secs Computing kpt #: 162 total cpu time spent up to now is 441.7 secs Computing kpt #: 163 total cpu time spent up to now is 443.8 secs Computing kpt #: 164 total cpu time spent up to now is 445.9 secs Computing kpt #: 165 total cpu time spent up to now is 448.2 secs Computing kpt #: 166 total cpu time spent up to now is 450.3 secs Computing kpt #: 167 total cpu time spent up to now is 452.5 secs Computing kpt #: 168 total cpu time spent up to now is 454.6 secs Computing kpt #: 169 total cpu time spent up to now is 456.9 secs Computing kpt #: 170 total cpu time spent up to now is 459.4 secs Computing kpt #: 171 total cpu time spent up to now is 461.6 secs Computing kpt #: 172 total cpu time spent up to now is 463.9 secs Computing kpt #: 173 total cpu time spent up to now is 466.2 secs Computing kpt #: 174 total cpu time spent up to now is 470.6 secs Computing kpt #: 175 total cpu time spent up to now is 474.4 secs Computing kpt #: 176 total cpu time spent up to now is 476.9 secs Computing kpt #: 177 total cpu time spent up to now is 479.3 secs Computing kpt #: 178 total cpu time spent up to now is 481.9 secs Computing kpt #: 179 total cpu time spent up to now is 484.5 secs Computing kpt #: 180 total cpu time spent up to now is 487.3 secs Computing kpt #: 181 total cpu time spent up to now is 490.0 secs Computing kpt #: 182 total cpu time spent up to now is 492.8 secs Computing kpt #: 183 total cpu time spent up to now is 495.6 secs Computing kpt #: 184 total cpu time spent up to now is 498.2 secs Computing kpt #: 185 total cpu time spent up to now is 500.8 secs Computing kpt #: 186 total cpu time spent up to now is 503.9 secs Computing kpt #: 187 total cpu time spent up to now is 506.4 secs Computing kpt #: 188 total cpu time spent up to now is 508.9 secs Computing kpt #: 189 total cpu time spent up to now is 511.7 secs Computing kpt #: 190 total cpu time spent up to now is 514.4 secs Computing kpt #: 191 total cpu time spent up to now is 517.0 secs Computing kpt #: 192 total cpu time spent up to now is 519.6 secs Computing kpt #: 193 total cpu time spent up to now is 522.2 secs Computing kpt #: 194 total cpu time spent up to now is 524.6 secs Computing kpt #: 195 total cpu time spent up to now is 527.1 secs Computing kpt #: 196 total cpu time spent up to now is 529.5 secs Computing kpt #: 197 total cpu time spent up to now is 532.2 secs Computing kpt #: 198 total cpu time spent up to now is 534.6 secs Computing kpt #: 199 total cpu time spent up to now is 537.0 secs Computing kpt #: 200 total cpu time spent up to now is 539.3 secs Computing kpt #: 201 total cpu time spent up to now is 541.9 secs Computing kpt #: 202 total cpu time spent up to now is 544.2 secs Computing kpt #: 203 total cpu time spent up to now is 546.6 secs Computing kpt #: 204 total cpu time spent up to now is 549.1 secs Computing kpt #: 205 total cpu time spent up to now is 551.5 secs Computing kpt #: 206 total cpu time spent up to now is 554.0 secs Computing kpt #: 207 total cpu time spent up to now is 556.5 secs Computing kpt #: 208 total cpu time spent up to now is 558.9 secs Computing kpt #: 209 total cpu time spent up to now is 561.3 secs Computing kpt #: 210 total cpu time spent up to now is 563.8 secs Computing kpt #: 211 total cpu time spent up to now is 566.4 secs Computing kpt #: 212 total cpu time spent up to now is 568.9 secs Computing kpt #: 213 total cpu time spent up to now is 571.4 secs Computing kpt #: 214 total cpu time spent up to now is 573.8 secs Computing kpt #: 215 total cpu time spent up to now is 576.3 secs Computing kpt #: 216 total cpu time spent up to now is 578.9 secs Computing kpt #: 217 total cpu time spent up to now is 581.4 secs Computing kpt #: 218 total cpu time spent up to now is 584.1 secs Computing kpt #: 219 total cpu time spent up to now is 587.1 secs Computing kpt #: 220 total cpu time spent up to now is 590.1 secs Computing kpt #: 221 total cpu time spent up to now is 593.1 secs Computing kpt #: 222 total cpu time spent up to now is 596.6 secs Computing kpt #: 223 total cpu time spent up to now is 599.8 secs Computing kpt #: 224 total cpu time spent up to now is 602.9 secs Computing kpt #: 225 total cpu time spent up to now is 606.0 secs Computing kpt #: 226 total cpu time spent up to now is 608.8 secs Computing kpt #: 227 total cpu time spent up to now is 611.6 secs Computing kpt #: 228 total cpu time spent up to now is 614.4 secs Computing kpt #: 229 total cpu time spent up to now is 617.1 secs Computing kpt #: 230 total cpu time spent up to now is 619.9 secs Computing kpt #: 231 total cpu time spent up to now is 622.7 secs Computing kpt #: 232 total cpu time spent up to now is 625.7 secs Computing kpt #: 233 total cpu time spent up to now is 628.9 secs Computing kpt #: 234 total cpu time spent up to now is 632.0 secs Computing kpt #: 235 total cpu time spent up to now is 634.6 secs Computing kpt #: 236 total cpu time spent up to now is 637.0 secs Computing kpt #: 237 total cpu time spent up to now is 639.5 secs Computing kpt #: 238 total cpu time spent up to now is 641.8 secs Computing kpt #: 239 total cpu time spent up to now is 644.3 secs Computing kpt #: 240 total cpu time spent up to now is 646.7 secs Computing kpt #: 241 total cpu time spent up to now is 649.3 secs Computing kpt #: 242 total cpu time spent up to now is 651.7 secs Computing kpt #: 243 total cpu time spent up to now is 654.0 secs Computing kpt #: 244 total cpu time spent up to now is 656.4 secs Computing kpt #: 245 total cpu time spent up to now is 658.7 secs Computing kpt #: 246 total cpu time spent up to now is 661.3 secs Computing kpt #: 247 total cpu time spent up to now is 663.7 secs Computing kpt #: 248 total cpu time spent up to now is 666.0 secs Computing kpt #: 249 total cpu time spent up to now is 668.1 secs Computing kpt #: 250 total cpu time spent up to now is 670.4 secs Computing kpt #: 251 total cpu time spent up to now is 672.8 secs Computing kpt #: 252 total cpu time spent up to now is 675.2 secs Computing kpt #: 253 total cpu time spent up to now is 677.5 secs Computing kpt #: 254 total cpu time spent up to now is 679.9 secs Computing kpt #: 255 total cpu time spent up to now is 682.3 secs Computing kpt #: 256 total cpu time spent up to now is 684.6 secs Computing kpt #: 257 total cpu time spent up to now is 687.0 secs Computing kpt #: 258 total cpu time spent up to now is 689.4 secs Computing kpt #: 259 total cpu time spent up to now is 691.7 secs Computing kpt #: 260 total cpu time spent up to now is 694.1 secs Computing kpt #: 261 total cpu time spent up to now is 696.4 secs Computing kpt #: 262 total cpu time spent up to now is 698.9 secs Computing kpt #: 263 total cpu time spent up to now is 701.2 secs Computing kpt #: 264 total cpu time spent up to now is 703.7 secs Computing kpt #: 265 total cpu time spent up to now is 706.1 secs Computing kpt #: 266 total cpu time spent up to now is 708.4 secs Computing kpt #: 267 total cpu time spent up to now is 710.8 secs Computing kpt #: 268 total cpu time spent up to now is 713.4 secs Computing kpt #: 269 total cpu time spent up to now is 715.7 secs Computing kpt #: 270 total cpu time spent up to now is 717.9 secs Computing kpt #: 271 total cpu time spent up to now is 720.3 secs Computing kpt #: 272 total cpu time spent up to now is 722.6 secs Computing kpt #: 273 total cpu time spent up to now is 724.8 secs Computing kpt #: 274 total cpu time spent up to now is 727.1 secs Computing kpt #: 275 total cpu time spent up to now is 729.6 secs Computing kpt #: 276 total cpu time spent up to now is 732.0 secs Computing kpt #: 277 total cpu time spent up to now is 734.4 secs Computing kpt #: 278 total cpu time spent up to now is 736.8 secs Computing kpt #: 279 total cpu time spent up to now is 739.1 secs Computing kpt #: 280 total cpu time spent up to now is 741.6 secs Computing kpt #: 281 total cpu time spent up to now is 744.0 secs Computing kpt #: 282 total cpu time spent up to now is 746.3 secs Computing kpt #: 283 total cpu time spent up to now is 748.7 secs Computing kpt #: 284 total cpu time spent up to now is 751.1 secs Computing kpt #: 285 total cpu time spent up to now is 753.5 secs Computing kpt #: 286 total cpu time spent up to now is 755.8 secs Computing kpt #: 287 total cpu time spent up to now is 758.7 secs Computing kpt #: 288 total cpu time spent up to now is 761.3 secs Computing kpt #: 289 total cpu time spent up to now is 763.6 secs Computing kpt #: 290 total cpu time spent up to now is 766.2 secs Computing kpt #: 291 total cpu time spent up to now is 769.8 secs Computing kpt #: 292 total cpu time spent up to now is 773.5 secs Computing kpt #: 293 total cpu time spent up to now is 775.8 secs Computing kpt #: 294 total cpu time spent up to now is 778.3 secs Computing kpt #: 295 total cpu time spent up to now is 780.6 secs Computing kpt #: 296 total cpu time spent up to now is 783.0 secs Computing kpt #: 297 total cpu time spent up to now is 785.6 secs Computing kpt #: 298 total cpu time spent up to now is 788.4 secs Computing kpt #: 299 total cpu time spent up to now is 791.0 secs Computing kpt #: 300 total cpu time spent up to now is 793.7 secs Computing kpt #: 301 total cpu time spent up to now is 796.3 secs Computing kpt #: 302 total cpu time spent up to now is 798.8 secs Computing kpt #: 303 total cpu time spent up to now is 801.4 secs Computing kpt #: 304 total cpu time spent up to now is 804.1 secs Computing kpt #: 305 total cpu time spent up to now is 806.8 secs Computing kpt #: 306 total cpu time spent up to now is 809.5 secs Computing kpt #: 307 total cpu time spent up to now is 812.3 secs Computing kpt #: 308 total cpu time spent up to now is 815.0 secs Computing kpt #: 309 total cpu time spent up to now is 817.7 secs Computing kpt #: 310 total cpu time spent up to now is 820.7 secs Computing kpt #: 311 total cpu time spent up to now is 823.5 secs Computing kpt #: 312 total cpu time spent up to now is 826.2 secs Computing kpt #: 313 total cpu time spent up to now is 828.6 secs Computing kpt #: 314 total cpu time spent up to now is 830.9 secs Computing kpt #: 315 total cpu time spent up to now is 833.3 secs Computing kpt #: 316 total cpu time spent up to now is 835.8 secs Computing kpt #: 317 total cpu time spent up to now is 838.2 secs Computing kpt #: 318 total cpu time spent up to now is 840.5 secs Computing kpt #: 319 total cpu time spent up to now is 842.9 secs Computing kpt #: 320 total cpu time spent up to now is 845.2 secs Computing kpt #: 321 total cpu time spent up to now is 847.6 secs Computing kpt #: 322 total cpu time spent up to now is 849.9 secs Computing kpt #: 323 total cpu time spent up to now is 852.3 secs Computing kpt #: 324 total cpu time spent up to now is 854.7 secs Computing kpt #: 325 total cpu time spent up to now is 857.0 secs Computing kpt #: 326 total cpu time spent up to now is 859.6 secs Computing kpt #: 327 total cpu time spent up to now is 862.0 secs Computing kpt #: 328 total cpu time spent up to now is 864.3 secs Computing kpt #: 329 total cpu time spent up to now is 866.7 secs Computing kpt #: 330 total cpu time spent up to now is 869.1 secs Computing kpt #: 331 total cpu time spent up to now is 871.3 secs Computing kpt #: 332 total cpu time spent up to now is 873.4 secs Computing kpt #: 333 total cpu time spent up to now is 875.6 secs Computing kpt #: 334 total cpu time spent up to now is 877.7 secs Computing kpt #: 335 total cpu time spent up to now is 880.0 secs Computing kpt #: 336 total cpu time spent up to now is 882.3 secs Computing kpt #: 337 total cpu time spent up to now is 884.6 secs Computing kpt #: 338 total cpu time spent up to now is 886.9 secs Computing kpt #: 339 total cpu time spent up to now is 889.2 secs Computing kpt #: 340 total cpu time spent up to now is 891.8 secs Computing kpt #: 341 total cpu time spent up to now is 894.2 secs Computing kpt #: 342 total cpu time spent up to now is 896.5 secs Computing kpt #: 343 total cpu time spent up to now is 899.0 secs Computing kpt #: 344 total cpu time spent up to now is 901.7 secs Computing kpt #: 345 total cpu time spent up to now is 904.0 secs Computing kpt #: 346 total cpu time spent up to now is 906.3 secs Computing kpt #: 347 total cpu time spent up to now is 908.6 secs Computing kpt #: 348 total cpu time spent up to now is 911.0 secs Computing kpt #: 349 total cpu time spent up to now is 913.4 secs Computing kpt #: 350 total cpu time spent up to now is 915.8 secs Computing kpt #: 351 total cpu time spent up to now is 918.1 secs Computing kpt #: 352 total cpu time spent up to now is 920.6 secs Computing kpt #: 353 total cpu time spent up to now is 922.9 secs Computing kpt #: 354 total cpu time spent up to now is 925.2 secs Computing kpt #: 355 total cpu time spent up to now is 927.5 secs Computing kpt #: 356 total cpu time spent up to now is 929.8 secs Computing kpt #: 357 total cpu time spent up to now is 932.4 secs Computing kpt #: 358 total cpu time spent up to now is 934.9 secs Computing kpt #: 359 total cpu time spent up to now is 937.3 secs Computing kpt #: 360 total cpu time spent up to now is 939.6 secs Computing kpt #: 361 total cpu time spent up to now is 942.1 secs Computing kpt #: 362 total cpu time spent up to now is 944.5 secs Computing kpt #: 363 total cpu time spent up to now is 947.1 secs Computing kpt #: 364 total cpu time spent up to now is 949.6 secs Computing kpt #: 365 total cpu time spent up to now is 952.1 secs Computing kpt #: 366 total cpu time spent up to now is 954.5 secs Computing kpt #: 367 total cpu time spent up to now is 957.3 secs Computing kpt #: 368 total cpu time spent up to now is 960.5 secs Computing kpt #: 369 total cpu time spent up to now is 963.6 secs Computing kpt #: 370 total cpu time spent up to now is 966.2 secs Computing kpt #: 371 total cpu time spent up to now is 968.9 secs Computing kpt #: 372 total cpu time spent up to now is 971.5 secs Computing kpt #: 373 total cpu time spent up to now is 974.4 secs Computing kpt #: 374 total cpu time spent up to now is 977.2 secs Computing kpt #: 375 total cpu time spent up to now is 979.8 secs ethr = 2.27E-11, avg # of iterations = 26.0 total cpu time spent up to now is 980.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3935 PWs) bands (ev): -8.2967 -8.2967 -6.3449 -6.3449 -5.9321 -5.9321 -1.2548 -1.2548 1.3541 1.3541 1.9998 1.9998 2.0339 2.0339 2.1035 2.1035 3.2017 3.2017 3.2073 3.2073 3.2376 3.2376 3.4709 3.4709 4.8877 4.8877 4.9234 4.9234 5.0170 5.0170 5.1224 5.1224 5.1868 5.1868 5.3187 5.3187 6.1565 6.1565 6.5428 6.5428 7.1868 7.1868 7.3035 7.3035 7.4641 7.4641 9.0707 9.0707 10.8399 10.8399 11.1656 11.1656 k =-0.0059 0.0104 0.0166 ( 3939 PWs) bands (ev): -8.2958 -8.2957 -6.3448 -6.3444 -5.9320 -5.9318 -1.2560 -1.2556 1.3546 1.3547 1.9995 2.0009 2.0261 2.0401 2.0916 2.1094 3.1984 3.2035 3.2064 3.2082 3.2348 3.2385 3.4697 3.4707 4.8854 4.8895 4.9214 4.9244 5.0134 5.0212 5.1142 5.1281 5.1849 5.1920 5.3119 5.3234 6.1479 6.1618 6.5473 6.5499 7.1848 7.1876 7.2884 7.3040 7.4573 7.4754 9.0721 9.0775 10.8358 10.8390 11.1647 11.1669 k =-0.0118 0.0208 0.0331 ( 3935 PWs) bands (ev): -8.2928 -8.2926 -6.3442 -6.3434 -5.9314 -5.9310 -1.2591 -1.2582 1.3562 1.3563 1.9989 2.0027 2.0164 2.0452 2.0734 2.1106 3.1934 3.2036 3.2054 3.2092 3.2304 3.2380 3.4671 3.4691 4.8826 4.8907 4.9189 4.9248 5.0106 5.0260 5.1046 5.1306 5.1870 5.1995 5.3031 5.3259 6.1361 6.1638 6.5633 6.5681 7.1814 7.1872 7.2620 7.2886 7.4568 7.4881 9.0814 9.0921 10.8275 10.8333 11.1644 11.1684 k =-0.0177 0.0312 0.0497 ( 3943 PWs) bands (ev): -8.2878 -8.2876 -6.3430 -6.3418 -5.9305 -5.9298 -1.2642 -1.2629 1.3587 1.3589 1.9916 2.0048 2.0099 2.0474 2.0515 2.1088 3.1863 3.2009 3.2044 3.2101 3.2255 3.2363 3.4631 3.4661 4.8793 4.8914 4.9157 4.9244 5.0084 5.0312 5.0945 5.1305 5.1919 5.2083 5.2922 5.3261 6.1213 6.1626 6.5898 6.5962 7.1761 7.1855 7.2270 7.2600 7.4618 7.5007 9.0983 9.1143 10.8159 10.8230 11.1644 11.1699 k =-0.0236 0.0416 0.0662 ( 3943 PWs) bands (ev): -8.2809 -8.2806 -6.3414 -6.3398 -5.9291 -5.9282 -1.2713 -1.2696 1.3623 1.3625 1.9721 2.0014 2.0110 2.0248 2.0540 2.1057 3.1767 3.1938 3.2036 3.2111 3.2218 3.2340 3.4579 3.4618 4.8757 4.8914 4.9121 4.9234 5.0068 5.0368 5.0845 5.1293 5.1983 5.2178 5.2797 5.3243 6.1039 6.1584 6.6251 6.6323 7.1671 7.1786 7.1891 7.2234 7.4708 7.5131 9.1222 9.1434 10.8019 10.8091 11.1645 11.1710 k =-0.0295 0.0520 0.0828 ( 3943 PWs) bands (ev): -8.2719 -8.2715 -6.3392 -6.3372 -5.9273 -5.9261 -1.2806 -1.2784 1.3668 1.3670 1.9445 1.9728 2.0150 2.0213 2.0579 2.1027 3.1646 3.1823 3.2026 3.2121 3.2199 3.2317 3.4513 3.4561 4.8717 4.8902 4.9086 4.9217 5.0058 5.0426 5.0750 5.1281 5.2046 5.2274 5.2656 5.3205 6.0842 6.1515 6.6667 6.6736 7.1353 7.1459 7.1808 7.1903 7.4837 7.5269 9.1524 9.1788 10.7866 10.7927 11.1642 11.1713 k =-0.0354 0.0624 0.0993 ( 3947 PWs) bands (ev): -8.2610 -8.2605 -6.3366 -6.3342 -5.9251 -5.9237 -1.2921 -1.2894 1.3721 1.3725 1.9102 1.9315 2.0204 2.0265 2.0618 2.1005 3.1501 3.1673 3.2016 3.2130 3.2190 3.2296 3.4434 3.4491 4.8674 4.8871 4.9059 4.9194 5.0052 5.0481 5.0665 5.1273 5.2097 5.2368 5.2502 5.3150 6.0625 6.1420 6.7111 6.7164 7.0830 7.1026 7.1727 7.1758 7.5023 7.5442 9.1882 9.2198 10.7711 10.7747 11.1629 11.1703 k =-0.0414 0.0728 0.1159 ( 3945 PWs) bands (ev): -8.2481 -8.2476 -6.3335 -6.3308 -5.9225 -5.9210 -1.3059 -1.3028 1.3784 1.3789 1.8706 1.8853 2.0271 2.0338 2.0656 2.0993 3.1332 3.1496 3.2004 3.2137 3.2186 3.2277 3.4342 3.4408 4.8628 4.8815 4.9047 4.9167 5.0049 5.0507 5.0617 5.1273 5.2131 5.2337 5.2458 5.3082 6.0395 6.1304 6.7538 6.7562 7.0271 7.0476 7.1616 7.1700 7.5291 7.5683 9.2290 9.2657 10.7559 10.7564 11.1599 11.1673 k =-0.0473 0.0832 0.1324 ( 3937 PWs) bands (ev): -8.2333 -8.2327 -6.3301 -6.3270 -5.9196 -5.9178 -1.3222 -1.3186 1.3854 1.3860 1.8268 1.8360 2.0347 2.0423 2.0693 2.0988 3.1144 3.1299 3.1990 3.2140 3.2184 3.2264 3.4240 3.4313 4.8580 4.8736 4.9047 4.9134 5.0050 5.0460 5.0650 5.1284 5.2140 5.2166 5.2542 5.3009 6.0154 6.1170 6.7881 6.7895 6.9694 6.9882 7.1515 7.1631 7.5671 7.6023 9.2743 9.3164 10.7385 10.7419 11.1546 11.1619 k =-0.0532 0.0936 0.1490 ( 3929 PWs) bands (ev): -8.2165 -8.2158 -6.3263 -6.3228 -5.9164 -5.9144 -1.3412 -1.3371 1.3931 1.3939 1.7802 1.7848 2.0433 2.0519 2.0729 2.0990 3.0939 3.1084 3.1974 3.2137 3.2183 3.2256 3.4127 3.4208 4.8531 4.8639 4.9054 4.9096 5.0053 5.0392 5.0711 5.1305 5.1991 5.2119 5.2621 5.2938 5.9908 6.1022 6.8069 6.8113 6.9136 6.9279 7.1408 7.1549 7.6186 7.6491 9.3240 9.3715 10.7217 10.7296 11.1462 11.1535 k =-0.0591 0.1040 0.1655 ( 3931 PWs) bands (ev): -8.1978 -8.1971 -6.3223 -6.3184 -5.9129 -5.9107 -1.3629 -1.3583 1.4013 1.4024 1.7322 1.7329 2.0528 2.0624 2.0764 2.0996 3.0720 3.0856 3.1953 3.2125 3.2182 3.2254 3.4004 3.4092 4.8477 4.8525 4.9053 4.9067 5.0057 5.0324 5.0777 5.1336 5.1817 5.2061 5.2692 5.2875 5.9659 6.0862 6.8033 6.8044 6.8732 6.8741 7.1294 7.1456 7.6841 7.7100 9.3781 9.4312 10.7067 10.7193 11.1343 11.1414 k =-0.0650 0.1144 0.1821 ( 3935 PWs) bands (ev): -8.1772 -8.1765 -6.3180 -6.3138 -5.9091 -5.9068 -1.3875 -1.3824 1.4100 1.4114 1.6815 1.6838 2.0630 2.0732 2.0801 2.1003 3.0489 3.0616 3.1929 3.2105 3.2181 3.2259 3.3874 3.3967 4.8396 4.8422 4.9006 4.9081 5.0063 5.0258 5.0842 5.1378 5.1649 5.1966 5.2758 5.2825 5.9411 6.0692 6.7569 6.7669 6.8411 6.8571 7.1171 7.1350 7.7621 7.7841 9.4369 9.4956 10.6939 10.7113 11.1181 11.1252 k =-0.0709 0.1248 0.1986 ( 3943 PWs) bands (ev): -8.1548 -8.1540 -6.3137 -6.3091 -5.9052 -5.9026 -1.4150 -1.4094 1.4189 1.4208 1.6316 1.6363 2.0737 2.0803 2.0878 2.1011 3.0250 3.0368 3.1900 3.2076 3.2180 3.2266 3.3737 3.3835 4.8256 4.8362 4.8955 4.9098 5.0070 5.0196 5.0898 5.1429 5.1499 5.1841 5.2786 5.2818 5.9166 6.0517 6.6971 6.7077 6.8176 6.8416 7.1037 7.1232 7.8498 7.8689 9.5010 9.5655 10.6835 10.7057 11.0972 11.1044 k =-0.0768 0.1352 0.2152 ( 3951 PWs) bands (ev): -8.1305 -8.1297 -6.3092 -6.3044 -5.9010 -5.8983 -1.4455 -1.4395 1.4278 1.4304 1.5842 1.5906 2.0826 2.0844 2.1003 2.1023 3.0005 3.0115 3.1864 3.2041 3.2179 3.2276 3.3595 3.3697 4.8105 4.8300 4.8900 4.9117 5.0079 5.0134 5.0931 5.1382 5.1491 5.1693 5.2756 5.2873 5.8924 6.0337 6.6345 6.6433 6.7892 6.8181 7.0892 7.1103 7.9435 7.9608 9.5713 9.6414 10.6758 10.7027 11.0710 11.0784 k =-0.0827 0.1457 0.2317 ( 3953 PWs) bands (ev): -8.1044 -8.1036 -6.3048 -6.2996 -5.8968 -5.8939 -1.4791 -1.4726 1.4361 1.4400 1.5404 1.5477 2.0838 2.0923 2.1059 2.1141 2.9756 2.9858 3.1823 3.1999 3.2178 3.2286 3.3451 3.3555 4.7946 4.8233 4.8842 4.9137 5.0073 5.0089 5.0913 5.1331 5.1523 5.1572 5.2730 5.2924 5.8688 6.0153 6.5717 6.5782 6.7541 6.7866 7.0738 7.0963 8.0397 8.0560 9.6488 9.7243 10.6707 10.7020 11.0393 11.0469 k =-0.0886 0.1561 0.2483 ( 3945 PWs) bands (ev): -8.0766 -8.0757 -6.3005 -6.2951 -5.8924 -5.8894 -1.5156 -1.5086 1.4424 1.4494 1.5023 1.5083 2.0837 2.0941 2.1155 2.1285 2.9507 2.9602 3.1776 3.1951 3.2176 3.2296 3.3308 3.3413 4.7784 4.8164 4.8783 4.9157 5.0010 5.0101 5.0840 5.1350 5.1362 5.1650 5.2705 5.2972 5.8457 5.9968 6.5096 6.5136 6.7130 6.7482 7.0573 7.0812 8.1352 8.1508 9.7345 9.8151 10.6681 10.7035 11.0019 11.0097 k =-0.0945 0.1665 0.2648 ( 3945 PWs) bands (ev): -8.0470 -8.0462 -6.2965 -6.2907 -5.8881 -5.8849 -1.5551 -1.5476 1.4390 1.4561 1.4752 1.4778 2.0823 2.0922 2.1281 2.1435 2.9261 2.9348 3.1722 3.1896 3.2172 3.2304 3.3168 3.3272 4.7619 4.8090 4.8721 4.9178 4.9941 5.0114 5.0746 5.1190 5.1414 5.1742 5.2678 5.3017 5.8231 5.9781 6.4490 6.4501 6.6669 6.7043 7.0397 7.0649 8.2269 8.2422 9.8295 9.9147 10.6677 10.7067 10.9587 10.9667 k =-0.1004 0.1769 0.2814 ( 3941 PWs) bands (ev): -8.0158 -8.0149 -6.2928 -6.2867 -5.8838 -5.8805 -1.5972 -1.5893 1.4176 1.4378 1.4711 1.4754 2.0793 2.0882 2.1418 2.1591 2.9019 2.9100 3.1660 3.1833 3.2166 3.2311 3.3035 3.3136 4.7457 4.8013 4.8660 4.9198 4.9865 5.0128 5.0656 5.1024 5.1493 5.1844 5.2650 5.3062 5.8010 5.9593 6.3882 6.3900 6.6167 6.6558 7.0210 7.0476 8.3127 8.3275 9.9344 10.0236 10.6688 10.7111 10.9101 10.9183 k =-0.1063 0.1873 0.2979 ( 3949 PWs) bands (ev): -7.9829 -7.9820 -6.2895 -6.2832 -5.8795 -5.8761 -1.6419 -1.6336 1.3927 1.4119 1.4788 1.4809 2.0746 2.0822 2.1562 2.1751 2.8785 2.8859 3.1590 3.1763 3.2158 3.2312 3.2912 3.3008 4.7300 4.7932 4.8598 4.9217 4.9777 5.0143 5.0578 5.0866 5.1581 5.1955 5.2620 5.3106 5.7792 5.9404 6.3281 6.3330 6.5635 6.6039 7.0013 7.0292 8.3910 8.4049 10.0492 10.1418 10.6703 10.7158 10.8570 10.8651 k =-0.1122 0.1977 0.3145 ( 3955 PWs) bands (ev): -7.9484 -7.9476 -6.2868 -6.2803 -5.8754 -5.8719 -1.6888 -1.6801 1.3710 1.3901 1.4864 1.4874 2.0678 2.0742 2.1711 2.1916 2.8561 2.8629 3.1512 3.1685 3.2146 3.2307 3.2806 3.2891 4.7152 4.7848 4.8539 4.9235 4.9680 5.0158 5.0519 5.0719 5.1672 5.2074 5.2588 5.3152 5.7577 5.9214 6.2701 6.2783 6.5078 6.5494 6.9806 7.0097 8.4606 8.4733 10.1733 10.2690 10.6700 10.7189 10.8013 10.8086 k =-0.1182 0.2081 0.3310 ( 3955 PWs) bands (ev): -7.9124 -7.9116 -6.2848 -6.2781 -5.8716 -5.8680 -1.7376 -1.7285 1.3538 1.3731 1.4933 1.4936 2.0588 2.0640 2.1865 2.2085 2.8349 2.8412 3.1427 3.1600 3.2128 3.2291 3.2720 3.2790 4.7015 4.7761 4.8485 4.9253 4.9574 5.0172 5.0478 5.0586 5.1764 5.2196 5.2559 5.3201 5.7365 5.9025 6.2145 6.2261 6.4504 6.4929 6.9589 6.9892 8.5212 8.5325 10.3044 10.4037 10.6613 10.7133 10.7498 10.7569 k =-0.1241 0.2185 0.3476 ( 3965 PWs) bands (ev): -7.8749 -7.8742 -6.2836 -6.2768 -5.8680 -5.8643 -1.7879 -1.7785 1.3415 1.3610 1.4990 1.4992 2.0475 2.0515 2.2024 2.2259 2.8149 2.8209 3.1334 3.1507 3.2104 3.2261 3.2662 3.2707 4.6892 4.7671 4.8437 4.9267 4.9461 5.0182 5.0451 5.0470 5.1854 5.2309 5.2545 5.3255 5.7153 5.8834 6.1612 6.1763 6.3920 6.4351 6.9362 6.9677 8.5729 8.5825 10.4360 10.5415 10.6297 10.6756 10.7191 10.7377 k =-0.1300 0.2289 0.3641 ( 3965 PWs) bands (ev): -7.8361 -7.8354 -6.2834 -6.2764 -5.8647 -5.8609 -1.8393 -1.8296 1.3339 1.3538 1.5034 1.5040 2.0338 2.0366 2.2187 2.2436 2.7963 2.8021 3.1235 3.1409 3.2074 3.2220 3.2629 3.2645 4.6785 4.7580 4.8399 4.9277 4.9349 5.0181 5.0379 5.0439 5.1941 5.2367 5.2593 5.3316 5.6942 5.8644 6.1105 6.1292 6.3330 6.3766 6.9125 6.9452 8.6161 8.6240 10.5252 10.5613 10.6625 10.6820 10.7209 10.7339 k =-0.1359 0.2393 0.3807 ( 3973 PWs) bands (ev): -7.7959 -7.7953 -6.2843 -6.2772 -5.8618 -5.8580 -1.8913 -1.8814 1.3311 1.3513 1.5066 1.5074 2.0178 2.0194 2.2356 2.2617 2.7789 2.7846 3.1131 3.1306 3.2038 3.2172 3.2603 3.2619 4.6695 4.7485 4.8371 4.9215 4.9303 5.0152 5.0330 5.0438 5.2021 5.2354 5.2718 5.3385 5.6730 5.8452 6.0624 6.0846 6.2738 6.3179 6.8880 6.9217 8.6516 8.6576 10.4925 10.4932 10.6938 10.7161 10.7788 10.8463 k =-0.1418 0.2497 0.3972 ( 3977 PWs) bands (ev): -7.7544 -7.7539 -6.2863 -6.2792 -5.8593 -5.8555 -1.9435 -1.9335 1.3328 1.3534 1.5085 1.5096 1.9995 2.0000 2.2530 2.2803 2.7626 2.7683 3.1023 3.1200 3.1999 3.2124 3.2581 3.2625 4.6624 4.7390 4.8358 4.9101 4.9310 5.0096 5.0322 5.0446 5.2092 5.2315 5.2875 5.3465 5.6518 5.8261 6.0170 6.0427 6.2151 6.2594 6.8626 6.8973 8.6801 8.6844 10.4178 10.4250 10.6839 10.7063 10.9128 10.9887 k =-0.1477 0.2601 0.4138 ( 3977 PWs) bands (ev): -7.7118 -7.7114 -6.2897 -6.2825 -5.8574 -5.8536 -1.9954 -1.9853 1.3389 1.3597 1.5091 1.5104 1.9786 1.9792 2.2709 2.2993 2.7469 2.7528 3.0913 3.1094 3.1960 3.2079 3.2577 3.2643 4.6572 4.7293 4.8360 4.8986 4.9318 5.0034 5.0334 5.0462 5.2154 5.2267 5.3048 5.3557 5.6306 5.8069 5.9743 6.0033 6.1572 6.2017 6.8365 6.8721 8.7025 8.7052 10.3405 10.3500 10.6678 10.6865 11.0473 11.1219 k =-0.1536 0.2705 0.4303 ( 3961 PWs) bands (ev): -7.6681 -7.6678 -6.2946 -6.2874 -5.8560 -5.8522 -2.0465 -2.0364 1.3489 1.3699 1.5084 1.5100 1.9554 1.9571 2.2895 2.3188 2.7315 2.7378 3.0805 3.0989 3.1922 3.2040 3.2588 3.2673 4.6540 4.7197 4.8381 4.8878 4.9325 4.9979 5.0353 5.0485 5.2205 5.2215 5.3232 5.3660 5.6093 5.7880 5.9344 5.9664 6.1004 6.1451 6.8097 6.8462 8.7195 8.7208 10.2621 10.2727 10.6451 10.6591 11.1673 11.2347 k =-0.1595 0.2809 0.4469 ( 3960 PWs) bands (ev): -7.6234 -7.6233 -6.3011 -6.2939 -5.8553 -5.8515 -2.0964 -2.0864 1.3626 1.3837 1.5065 1.5084 1.9309 1.9336 2.3087 2.3386 2.7158 2.7227 3.0701 3.0890 3.1887 3.2006 3.2612 3.2712 4.6526 4.7100 4.8419 4.8776 4.9330 4.9933 5.0375 5.0512 5.2159 5.2246 5.3424 5.3772 5.5879 5.7691 5.8972 5.9317 6.0452 6.0901 6.7822 6.8195 8.7319 8.7319 10.1833 10.1944 10.6155 10.6248 11.2624 11.3159 k =-0.1654 0.2913 0.4634 ( 3958 PWs) bands (ev): -7.5779 -7.5779 -6.3093 -6.3022 -5.8553 -5.8515 -2.1446 -2.1348 1.3795 1.4007 1.5037 1.5059 1.9053 1.9091 2.3284 2.3588 2.6995 2.7071 3.0605 3.0800 3.1854 3.1975 3.2649 3.2762 4.6529 4.7003 4.8476 4.8684 4.9333 4.9897 5.0399 5.0544 5.2101 5.2276 5.3622 5.3893 5.5665 5.7505 5.8629 5.8991 5.9918 6.0371 6.7541 6.7922 8.7393 8.7403 10.1047 10.1162 10.5794 10.5840 11.3274 11.3641 k =-0.1713 0.3017 0.4800 ( 3954 PWs) bands (ev): -7.5318 -7.5317 -6.3192 -6.3122 -5.8560 -5.8523 -2.1908 -2.1811 1.3992 1.4201 1.5000 1.5028 1.8792 1.8840 2.3486 2.3794 2.6821 2.6903 3.0522 3.0722 3.1824 3.1946 3.2697 3.2821 4.6548 4.6908 4.8551 4.8605 4.9333 4.9874 5.0423 5.0578 5.2041 5.2297 5.3826 5.4018 5.5454 5.7324 5.8313 5.8682 5.9405 5.9867 6.7255 6.7643 8.7435 8.7454 10.0269 10.0387 10.5375 10.5380 11.3669 11.3898 k =-0.1772 0.3121 0.4965 ( 3956 PWs) bands (ev): -7.4852 -7.4848 -6.3310 -6.3241 -5.8576 -5.8539 -2.2344 -2.2251 1.4211 1.4410 1.4958 1.5000 1.8531 1.8588 2.3692 2.4002 2.6630 2.6720 3.0452 3.0659 3.1794 3.1917 3.2756 3.2889 4.6580 4.6816 4.8543 4.8644 4.9330 4.9864 5.0449 5.0614 5.1978 5.2311 5.4029 5.4142 5.5248 5.7150 5.8027 5.8385 5.8916 5.9394 6.6965 6.7359 8.7451 8.7477 9.9504 9.9623 10.4878 10.4909 11.3894 11.4031 k =-0.1831 0.3225 0.5131 ( 3952 PWs) bands (ev): -7.4381 -7.4376 -6.3446 -6.3380 -5.8599 -5.8563 -2.2752 -2.2663 1.4441 1.4606 1.4918 1.4998 1.8276 1.8343 2.3902 2.4211 2.6420 2.6518 3.0400 3.0613 3.1765 3.1888 3.2824 3.2966 4.6621 4.6727 4.8502 4.8752 4.9324 4.9871 5.0475 5.0651 5.1912 5.2319 5.4220 5.4260 5.5061 5.6987 5.7771 5.8095 5.8454 5.8961 6.6673 6.7072 8.7446 8.7477 9.8757 9.8875 10.4345 10.4407 11.4010 11.4094 k =-0.1890 0.3329 0.5297 ( 3950 PWs) bands (ev): -7.3908 -7.3900 -6.3601 -6.3537 -5.8632 -5.8597 -2.3129 -2.3044 1.4653 1.4720 1.4904 1.5084 1.8035 1.8110 2.4114 2.4421 2.6191 2.6296 3.0366 3.0585 3.1736 3.1858 3.2900 3.3050 4.6641 4.6667 4.8487 4.8869 4.9315 4.9899 5.0502 5.0688 5.1843 5.2322 5.4354 5.4363 5.4936 5.6839 5.7550 5.7804 5.8019 5.8576 6.6378 6.6782 8.7422 8.7457 9.8030 9.8147 10.3791 10.3879 11.4053 11.4109 k =-0.1950 0.3433 0.5462 ( 3950 PWs) bands (ev): -7.3434 -7.3424 -6.3775 -6.3714 -5.8674 -5.8639 -2.3471 -2.3391 1.4730 1.4736 1.5018 1.5271 1.7821 1.7901 2.4325 2.4629 2.5944 2.6053 3.0351 3.0575 3.1708 3.1826 3.2982 3.3140 4.6561 4.6712 4.8501 4.8989 4.9301 4.9955 5.0530 5.0726 5.1769 5.2322 5.4336 5.4443 5.4969 5.6708 5.7367 5.7508 5.7615 5.8247 6.6081 6.6489 8.7385 8.7423 9.7329 9.7444 10.3226 10.3336 11.4037 11.4080 k =-0.2009 0.3537 0.5628 ( 3946 PWs) bands (ev): -7.2962 -7.2951 -6.3966 -6.3908 -5.8725 -5.8692 -2.3776 -2.3702 1.4704 1.4715 1.5222 1.5474 1.7650 1.7729 2.4532 2.4833 2.5681 2.5792 3.0353 3.0581 3.1680 3.1792 3.3068 3.3233 4.6487 4.6753 4.8547 4.9104 4.9283 5.0046 5.0559 5.0763 5.1691 5.2320 5.4187 5.4488 5.5137 5.6597 5.7209 5.7215 5.7260 5.7973 6.5784 6.6196 8.7337 8.7376 9.6656 9.6768 10.2658 10.2786 11.3969 11.4010 k =-0.2068 0.3641 0.5793 ( 3946 PWs) bands (ev): -7.2496 -7.2481 -6.4174 -6.4119 -5.8787 -5.8755 -2.4042 -2.3974 1.4673 1.4682 1.5407 1.5637 1.7549 1.7614 2.4730 2.5031 2.5411 2.5518 3.0372 3.0603 3.1653 3.1757 3.3156 3.3327 4.6418 4.6785 4.8624 4.9204 4.9264 5.0179 5.0588 5.0800 5.1606 5.2319 5.3992 5.4493 5.5351 5.6501 5.6890 5.6919 5.7166 5.7747 6.5488 6.5903 8.7280 8.7319 9.6014 9.6122 10.2093 10.2236 11.3853 11.3898 k =-0.2127 0.3745 0.5959 ( 3950 PWs) bands (ev): -7.2037 -7.2020 -6.4395 -6.4344 -5.8858 -5.8827 -2.4267 -2.4206 1.4645 1.4652 1.5531 1.5721 1.7546 1.7578 2.4873 2.5174 2.5182 2.5280 3.0404 3.0638 3.1627 3.1722 3.3245 3.3422 4.6356 4.6808 4.8721 4.9250 4.9287 5.0355 5.0617 5.0837 5.1516 5.2318 5.3784 5.4454 5.5570 5.6415 5.6575 5.6655 5.7161 5.7560 6.5194 6.5611 8.7217 8.7256 9.5406 9.5511 10.1538 10.1695 11.3692 11.3744 k =-0.2186 0.3849 0.6124 ( 3952 PWs) bands (ev): -7.1591 -7.1572 -6.4626 -6.4580 -5.8940 -5.8910 -2.4450 -2.4396 1.4626 1.4631 1.5575 1.5714 1.7636 1.7648 2.4748 2.4929 2.5211 2.5419 3.0449 3.0685 3.1604 3.1687 3.3332 3.3515 4.6302 4.6823 4.8815 4.9263 4.9353 5.0568 5.0648 5.0876 5.1420 5.2321 5.3575 5.4378 5.5753 5.6285 5.6341 5.6457 5.7221 5.7406 6.4903 6.5321 8.7149 8.7187 9.4837 9.4936 10.0998 10.1166 11.3487 11.3547 k =-0.2245 0.3953 0.6290 ( 3956 PWs) bands (ev): -7.1164 -7.1143 -6.4862 -6.4821 -5.9032 -5.9004 -2.4589 -2.4543 1.4618 1.4622 1.5542 1.5630 1.7775 1.7830 2.4484 2.4645 2.5375 2.5587 3.0504 3.0741 3.1585 3.1653 3.3416 3.3604 4.6255 4.6831 4.8861 4.9340 4.9408 5.0679 5.0806 5.0918 5.1323 5.2328 5.3371 5.4271 5.5805 5.6025 5.6275 5.6418 5.7282 5.7338 6.4615 6.5034 8.7079 8.7115 9.4307 9.4400 10.0477 10.0655 11.3242 11.3310 k =-0.2304 0.4057 0.6455 ( 3956 PWs) bands (ev): -7.0763 -7.0741 -6.5095 -6.5060 -5.9134 -5.9107 -2.4683 -2.4646 1.4623 1.4627 1.5454 1.5501 1.7969 1.8057 2.4219 2.4373 2.5544 2.5744 3.0567 3.0804 3.1570 3.1621 3.3497 3.3688 4.6217 4.6835 4.8844 4.9456 4.9489 5.0711 5.0966 5.1023 5.1257 5.2341 5.3182 5.4145 5.5697 5.5788 5.6227 5.6561 5.7191 5.7496 6.4332 6.4753 8.7008 8.7041 9.3820 9.3906 9.9979 10.0166 11.2959 11.3034 k =-0.2363 0.4162 0.6621 ( 3960 PWs) bands (ev): -7.0399 -7.0376 -6.5315 -6.5287 -5.9246 -5.9221 -2.4733 -2.4705 1.4641 1.4647 1.5332 1.5350 1.8184 1.8294 2.3977 2.4126 2.5703 2.5885 3.0635 3.0872 3.1562 3.1594 3.3572 3.3767 4.6187 4.6837 4.8785 4.9500 4.9678 5.0740 5.1024 5.1038 5.1390 5.2362 5.3022 5.4009 5.5538 5.5575 5.6199 5.6752 5.7154 5.7685 6.4056 6.4476 8.6936 8.6965 9.3379 9.3458 9.9509 9.9704 11.2641 11.2723 k =-0.2422 0.4266 0.6786 ( 3952 PWs) bands (ev): -7.0087 -7.0065 -6.5507 -6.5487 -5.9368 -5.9345 -2.4739 -2.4719 1.4673 1.4684 1.5192 1.5194 1.8392 1.8515 2.3774 2.3918 2.5848 2.6007 3.0709 3.0944 3.1560 3.1572 3.3642 3.3838 4.6166 4.6838 4.8707 4.9544 4.9878 5.0756 5.0956 5.1094 5.1595 5.2393 5.2926 5.3872 5.5380 5.5383 5.6193 5.6867 5.7240 5.7896 6.3787 6.4208 8.6864 8.6890 9.2985 9.3056 9.9069 9.9271 11.2293 11.2379 k =-0.2481 0.4370 0.6952 ( 3952 PWs) bands (ev): -6.9847 -6.9827 -6.5651 -6.5640 -5.9501 -5.9479 -2.4699 -2.4688 1.4708 1.4738 1.5046 1.5048 1.8572 1.8699 2.3627 2.3762 2.5974 2.6109 3.0785 3.1017 3.1556 3.1566 3.3705 3.3902 4.6154 4.6840 4.8617 4.9587 5.0070 5.0719 5.0913 5.1180 5.1718 5.2432 5.2946 5.3744 5.5211 5.5232 5.6209 5.6885 5.7453 5.8121 6.3526 6.3947 8.6792 8.6814 9.2643 9.2705 9.8662 9.8870 11.1917 11.2007 k =-0.2540 0.4474 0.7117 ( 3950 PWs) bands (ev): -6.9700 -6.9682 -6.5726 -6.5725 -5.9642 -5.9623 -2.4616 -2.4614 1.4708 1.4803 1.4904 1.4958 1.8706 1.8831 2.3549 2.3672 2.6080 2.6189 3.0864 3.1091 3.1549 3.1580 3.3761 3.3957 4.6151 4.6840 4.8524 4.9631 5.0239 5.0625 5.0928 5.1279 5.1715 5.2479 5.3116 5.3638 5.5059 5.5097 5.6246 5.6883 5.7712 5.8358 6.3276 6.3697 8.6721 8.6739 9.2353 9.2405 9.8290 9.8503 11.1517 11.1609 k =-0.2599 0.4578 0.7283 ( 3950 PWs) bands (ev): -6.9661 -6.9648 -6.5727 -6.5715 -5.9794 -5.9775 -2.4496 -2.4488 1.4610 1.4732 1.4916 1.4985 1.8783 1.8900 2.3549 2.3658 2.6165 2.6246 3.0944 3.1164 3.1551 3.1603 3.3810 3.4004 4.6157 4.6838 4.8435 4.9677 5.0380 5.0514 5.0965 5.1383 5.1619 5.2527 5.3397 5.3573 5.4928 5.4976 5.6303 5.6889 5.7983 5.8600 6.3036 6.3458 8.6652 8.6666 9.2118 9.2160 9.7956 9.8173 11.1097 11.1188 k =-0.2658 0.4682 0.7448 ( 3946 PWs) bands (ev): -6.9735 -6.9726 -6.5640 -6.5616 -5.9953 -5.9937 -2.4334 -2.4318 1.4465 1.4584 1.5025 1.5079 1.8801 1.8907 2.3630 2.3723 2.6226 2.6280 3.1024 3.1235 3.1563 3.1634 3.3853 3.4043 4.6171 4.6832 4.8357 4.9724 5.0404 5.0491 5.1010 5.1476 5.1481 5.2558 5.3573 5.3737 5.4821 5.4869 5.6379 5.6910 5.8257 5.8846 6.2809 6.3232 8.6583 8.6594 9.1941 9.1972 9.7660 9.7880 11.0658 11.0748 k =-0.2718 0.4786 0.7614 ( 3950 PWs) bands (ev): -6.9909 -6.9904 -6.5476 -6.5442 -6.0121 -6.0107 -2.4131 -2.4106 1.4308 1.4430 1.5156 1.5205 1.8767 1.8860 2.3783 2.3860 2.6263 2.6291 3.1103 3.1304 3.1586 3.1672 3.3888 3.4072 4.6193 4.6818 4.8296 4.9771 5.0302 5.0577 5.1057 5.1320 5.1551 5.2559 5.3655 5.4103 5.4740 5.4778 5.6473 5.6946 5.8530 5.9092 6.2597 6.3022 8.6517 8.6524 9.1823 9.1842 9.7403 9.7625 11.0205 11.0291 k =-0.2777 0.4890 0.7779 ( 3954 PWs) bands (ev): -7.0165 -7.0161 -6.5254 -6.5211 -6.0297 -6.0284 -2.3886 -2.3852 1.4146 1.4274 1.5306 1.5355 1.8694 1.8774 2.3995 2.4058 2.6275 2.6279 3.1182 3.1368 3.1618 3.1716 3.3917 3.4093 4.6223 4.6793 4.8259 4.9819 5.0213 5.0643 5.1105 5.1159 5.1592 5.2531 5.3806 5.4448 5.4697 5.4732 5.6582 5.6998 5.8798 5.9335 6.2401 6.2830 8.6453 8.6457 9.1766 9.1773 9.7187 9.7409 10.9738 10.9820 k =-0.2777 0.4890 0.7779 ( 3954 PWs) bands (ev): -7.0165 -7.0161 -6.5254 -6.5211 -6.0297 -6.0284 -2.3886 -2.3852 1.4146 1.4274 1.5306 1.5355 1.8694 1.8774 2.3995 2.4058 2.6275 2.6279 3.1182 3.1368 3.1618 3.1716 3.3917 3.4093 4.6223 4.6793 4.8259 4.9819 5.0213 5.0643 5.1105 5.1159 5.1592 5.2531 5.3806 5.4448 5.4697 5.4732 5.6582 5.6998 5.8798 5.9335 6.2401 6.2830 8.6453 8.6457 9.1766 9.1773 9.7187 9.7409 10.9738 10.9820 k =-0.2695 0.4745 0.7899 ( 3948 PWs) bands (ev): -7.0164 -7.0160 -6.5253 -6.5210 -6.0296 -6.0283 -2.3891 -2.3857 1.4092 1.4218 1.5310 1.5358 1.8734 1.8815 2.3996 2.4061 2.6274 2.6277 3.1186 3.1370 3.1612 3.1708 3.3914 3.4090 4.6232 4.6797 4.8265 4.9815 5.0212 5.0640 5.1077 5.1187 5.1589 5.2520 5.3809 5.4447 5.4715 5.4745 5.6579 5.6992 5.8788 5.9323 6.2412 6.2841 8.6453 8.6457 9.1800 9.1806 9.7218 9.7440 10.9748 10.9830 k =-0.2612 0.4601 0.8020 ( 3951 PWs) bands (ev): -7.0161 -7.0156 -6.5251 -6.5208 -6.0292 -6.0279 -2.3905 -2.3871 1.3937 1.4059 1.5323 1.5368 1.8844 1.8929 2.4003 2.4074 2.6269 2.6272 3.1198 3.1372 3.1596 3.1687 3.3904 3.4082 4.6257 4.6807 4.8280 4.9800 5.0209 5.0629 5.1032 5.1228 5.1580 5.2490 5.3814 5.4439 5.4768 5.4787 5.6570 5.6976 5.8757 5.9288 6.2442 6.2872 8.6452 8.6456 9.1901 9.1906 9.7310 9.7531 10.9779 10.9860 k =-0.2530 0.4456 0.8140 ( 3949 PWs) bands (ev): -7.0155 -7.0151 -6.5247 -6.5205 -6.0284 -6.0271 -2.3929 -2.3895 1.3701 1.3818 1.5343 1.5387 1.8999 1.9090 2.4021 2.4101 2.6261 2.6264 3.1214 3.1370 3.1577 3.1653 3.3889 3.4070 4.6298 4.6824 4.8307 4.9777 5.0202 5.0612 5.0991 5.1267 5.1566 5.2445 5.3815 5.4420 5.4855 5.4861 5.6559 5.6950 5.8711 5.9233 6.2489 6.2920 8.6452 8.6455 9.2069 9.2071 9.7462 9.7679 10.9829 10.9909 k =-0.2448 0.4311 0.8260 ( 3945 PWs) bands (ev): -7.0147 -7.0143 -6.5242 -6.5200 -6.0274 -6.0261 -2.3962 -2.3928 1.3404 1.3516 1.5371 1.5414 1.9167 1.9267 2.4060 2.4153 2.6250 2.6254 3.1230 3.1347 3.1566 3.1611 3.3868 3.4052 4.6355 4.6848 4.8343 4.9746 5.0191 5.0588 5.0956 5.1301 5.1547 5.2391 5.3809 5.4385 5.4965 5.4972 5.6548 5.6918 5.8653 5.9163 6.2549 6.2983 8.6453 8.6456 9.2301 9.2304 9.7670 9.7882 10.9900 10.9977 k =-0.2366 0.4167 0.8380 ( 3947 PWs) bands (ev): -7.0138 -7.0133 -6.5235 -6.5194 -6.0261 -6.0249 -2.4003 -2.3969 1.3067 1.3174 1.5407 1.5449 1.9320 1.9431 2.4134 2.4242 2.6237 2.6240 3.1235 3.1295 3.1569 3.1575 3.3841 3.4029 4.6425 4.6876 4.8389 4.9706 5.0174 5.0557 5.0931 5.1329 5.1523 5.2331 5.3790 5.4335 5.5096 5.5108 5.6547 5.6883 5.8590 5.9084 6.2618 6.3056 8.6456 8.6458 9.2594 9.2602 9.7929 9.8136 10.9991 11.0066 k =-0.2284 0.4022 0.8500 ( 3947 PWs) bands (ev): -7.0126 -7.0121 -6.5227 -6.5186 -6.0245 -6.0233 -2.4053 -2.4019 1.2705 1.2809 1.5450 1.5492 1.9432 1.9554 2.4253 2.4377 2.6221 2.6225 3.1211 3.1213 3.1546 3.1601 3.3810 3.4001 4.6510 4.6909 4.8443 4.9660 5.0148 5.0520 5.0918 5.1352 5.1497 5.2271 5.3759 5.4270 5.5243 5.5249 5.6566 5.6854 5.8528 5.9001 6.2693 6.3134 8.6460 8.6462 9.2950 9.2964 9.8235 9.8433 11.0102 11.0174 k =-0.2202 0.3878 0.8621 ( 3945 PWs) bands (ev): -7.0113 -7.0107 -6.5217 -6.5177 -6.0227 -6.0215 -2.4110 -2.4076 1.2330 1.2432 1.5501 1.5543 1.9487 1.9620 2.4427 2.4566 2.6204 2.6208 3.1107 3.1144 3.1553 3.1639 3.3774 3.3969 4.6606 4.6945 4.8505 4.9609 5.0115 5.0478 5.0916 5.1370 5.1468 5.2213 5.3716 5.4192 5.5375 5.5392 5.6624 5.6841 5.8473 5.8919 6.2769 6.3214 8.6467 8.6468 9.3365 9.3385 9.8580 9.8769 11.0234 11.0303 k =-0.2120 0.3733 0.8741 ( 3945 PWs) bands (ev): -7.0098 -7.0092 -6.5207 -6.5168 -6.0206 -6.0195 -2.4175 -2.4141 1.1952 1.2051 1.5559 1.5601 1.9478 1.9620 2.4656 2.4808 2.6186 2.6189 3.0981 3.1038 3.1587 3.1685 3.3735 3.3933 4.6711 4.6983 4.8574 4.9555 5.0074 5.0431 5.0924 5.1383 5.1438 5.2158 5.3660 5.4100 5.5467 5.5526 5.6736 5.6860 5.8432 5.8843 6.2845 6.3293 8.6475 8.6476 9.3838 9.3864 9.8959 9.9137 11.0386 11.0452 k =-0.2038 0.3588 0.8861 ( 3947 PWs) bands (ev): -7.0082 -7.0075 -6.5195 -6.5157 -6.0183 -6.0172 -2.4246 -2.4212 1.1575 1.1672 1.5624 1.5666 1.9407 1.9555 2.4935 2.5098 2.6168 2.6170 3.0837 3.0902 3.1636 3.1736 3.3692 3.3892 4.6826 4.7023 4.8648 4.9498 5.0027 5.0379 5.0941 5.1394 5.1407 5.2110 5.3594 5.3997 5.5514 5.5623 5.6911 5.6929 5.8408 5.8775 6.2918 6.3369 8.6483 8.6485 9.4364 9.4398 9.9366 9.9531 11.0560 11.0624 k =-0.1956 0.3444 0.8981 ( 3945 PWs) bands (ev): -7.0065 -7.0058 -6.5183 -6.5145 -6.0157 -6.0147 -2.4323 -2.4288 1.1206 1.1301 1.5695 1.5737 1.9281 1.9431 2.5251 2.5425 2.6151 2.6153 3.0677 3.0744 3.1695 3.1792 3.3648 3.3849 4.6946 4.7064 4.8725 4.9442 4.9974 5.0323 5.0964 5.1374 5.1404 5.2068 5.3518 5.3883 5.5522 5.5672 5.7056 5.7144 5.8409 5.8720 6.2988 6.3440 8.6490 8.6492 9.4941 9.4981 9.9795 9.9944 11.0756 11.0819 k =-0.1873 0.3299 0.9101 ( 3949 PWs) bands (ev): -7.0047 -7.0040 -6.5169 -6.5133 -6.0129 -6.0119 -2.4405 -2.4370 1.0846 1.0940 1.5772 1.5815 1.9109 1.9259 2.5582 2.5772 2.6137 2.6148 3.0502 3.0567 3.1761 3.1853 3.3601 3.3802 4.7070 4.7105 4.8805 4.9386 4.9917 5.0264 5.0989 5.1341 5.1412 5.2033 5.3433 5.3761 5.5503 5.5675 5.7232 5.7420 5.8441 5.8680 6.3053 6.3504 8.6491 8.6494 9.5565 9.5611 10.0238 10.0369 11.0977 11.1039 k =-0.1791 0.3155 0.9222 ( 3951 PWs) bands (ev): -7.0029 -7.0021 -6.5155 -6.5119 -6.0099 -6.0090 -2.4491 -2.4456 1.0500 1.0592 1.5855 1.5899 1.8900 1.9048 2.5869 2.6048 2.6201 2.6209 3.0314 3.0375 3.1834 3.1918 3.3553 3.3753 4.7145 4.7195 4.8886 4.9333 4.9859 5.0203 5.1013 5.1308 5.1422 5.2005 5.3341 5.3632 5.5467 5.5647 5.7435 5.7725 5.8514 5.8657 6.3114 6.3561 8.6485 8.6489 9.6229 9.6281 10.0691 10.0803 11.1222 11.1286 k =-0.1709 0.3010 0.9342 ( 3953 PWs) bands (ev): -7.0011 -7.0002 -6.5139 -6.5105 -6.0067 -6.0059 -2.4579 -2.4545 1.0170 1.0260 1.5943 1.5988 1.8663 1.8808 2.5971 2.6061 2.6443 2.6543 3.0116 3.0168 3.1914 3.1989 3.3504 3.3702 4.7185 4.7319 4.8965 4.9285 4.9801 5.0142 5.1035 5.1275 5.1435 5.1985 5.3244 5.3500 5.5425 5.5601 5.7636 5.8042 5.8642 5.8659 6.3172 6.3612 8.6465 8.6472 9.6930 9.6987 10.1150 10.1239 11.1495 11.1561 k =-0.1627 0.2866 0.9462 ( 3951 PWs) bands (ev): -6.9993 -6.9983 -6.5124 -6.5091 -6.0034 -6.0026 -2.4670 -2.4636 0.9856 0.9945 1.6037 1.6082 1.8406 1.8548 2.5967 2.6037 2.6781 2.6905 2.9911 2.9952 3.2002 3.2067 3.3455 3.3649 4.7223 4.7438 4.9042 4.9245 4.9745 5.0081 5.1049 5.1242 5.1451 5.1973 5.3144 5.3366 5.5383 5.5549 5.7814 5.8330 5.8721 5.8834 6.3227 6.3657 8.6429 8.6438 9.7661 9.7722 10.1610 10.1675 11.1795 11.1866 k =-0.1545 0.2721 0.9582 ( 3955 PWs) bands (ev): -6.9976 -6.9966 -6.5108 -6.5076 -5.9999 -5.9992 -2.4763 -2.4728 0.9561 0.9648 1.6135 1.6181 1.8136 1.8272 2.5937 2.6005 2.7127 2.7257 2.9702 2.9729 3.2098 3.2153 3.3406 3.3596 4.7260 4.7549 4.9113 4.9213 4.9692 5.0024 5.1056 5.1208 5.1470 5.1965 5.3041 5.3233 5.5344 5.5497 5.7961 5.8491 5.8935 5.9089 6.3281 6.3697 8.6371 8.6382 9.8415 9.8480 10.2068 10.2109 11.2124 11.2202 k =-0.1463 0.2576 0.9702 ( 3953 PWs) bands (ev): -6.9959 -6.9948 -6.5091 -6.5061 -5.9963 -5.9956 -2.4855 -2.4820 0.9285 0.9371 1.6237 1.6285 1.7856 1.7988 2.5892 2.5964 2.7459 2.7589 2.9494 2.9505 3.2204 3.2247 3.3359 3.3542 4.7295 4.7649 4.9176 4.9195 4.9644 4.9971 5.1053 5.1176 5.1491 5.1963 5.2939 5.3102 5.5313 5.5453 5.8084 5.8550 5.9271 5.9394 6.3335 6.3732 8.6288 8.6301 9.9185 9.9252 10.2522 10.2539 11.2482 11.2568 k =-0.1381 0.2432 0.9822 ( 3951 PWs) bands (ev): -6.9944 -6.9933 -6.5074 -6.5045 -5.9925 -5.9920 -2.4947 -2.4912 0.9029 0.9114 1.6345 1.6392 1.7573 1.7700 2.5830 2.5910 2.7768 2.7896 2.9285 2.9293 3.2319 3.2350 3.3313 3.3490 4.7330 4.7734 4.9184 4.9235 4.9603 4.9924 5.1040 5.1143 5.1514 5.1963 5.2837 5.2975 5.5293 5.5418 5.8192 5.8585 5.9646 5.9733 6.3390 6.3765 8.6175 8.6191 9.9963 10.0030 10.2964 10.2971 11.2866 11.2961 k =-0.1299 0.2287 0.9943 ( 3949 PWs) bands (ev): -6.9930 -6.9919 -6.5057 -6.5029 -5.9887 -5.9882 -2.5037 -2.5002 0.8794 0.8878 1.6456 1.6502 1.7288 1.7412 2.5749 2.5839 2.8049 2.8174 2.9077 2.9108 3.2445 3.2462 3.3269 3.3438 4.7363 4.7803 4.9188 4.9278 4.9570 4.9886 5.1020 5.1111 5.1535 5.1966 5.2738 5.2855 5.5284 5.5397 5.8292 5.8616 6.0036 6.0095 6.3448 6.3796 8.6031 8.6048 10.0738 10.0804 10.3383 10.3412 11.3273 11.3378 k =-0.1217 0.2143 1.0063 ( 3947 PWs) bands (ev): -6.9919 -6.9907 -6.5040 -6.5013 -5.9848 -5.9844 -2.5125 -2.5090 0.8582 0.8663 1.6570 1.6611 1.7007 1.7132 2.5644 2.5743 2.8294 2.8417 2.8893 2.8949 3.2580 3.2581 3.3229 3.3390 4.7395 4.7854 4.9202 4.9309 4.9550 4.9859 5.0992 5.1080 5.1553 5.1968 5.2642 5.2742 5.5288 5.5388 5.8387 5.8645 6.0433 6.0471 6.3511 6.3828 8.5852 8.5872 10.1500 10.1565 10.3797 10.3844 11.3697 11.3812 k =-0.1135 0.1998 1.0183 ( 3949 PWs) bands (ev): -6.9910 -6.9897 -6.5023 -6.4997 -5.9808 -5.9805 -2.5209 -2.5174 0.8391 0.8471 1.6667 1.6684 1.6752 1.6896 2.5507 2.5617 2.8486 2.8599 2.8766 2.8841 3.2705 3.2720 3.3193 3.3347 4.7427 4.7889 4.9219 4.9326 4.9546 4.9843 5.0958 5.1051 5.1567 5.1969 5.2550 5.2638 5.5303 5.5392 5.8478 5.8673 6.0833 6.0855 6.3581 6.3862 8.5640 8.5661 10.2239 10.2299 10.4202 10.4263 11.4132 11.4255 k =-0.1052 0.1853 1.0303 ( 3947 PWs) bands (ev): -6.9903 -6.9890 -6.5005 -6.4981 -5.9768 -5.9766 -2.5289 -2.5254 0.8223 0.8301 1.6451 1.6520 1.6823 1.6908 2.5337 2.5454 2.8559 2.8567 2.8855 2.8858 3.2827 3.2859 3.3167 3.3312 4.7459 4.7910 4.9234 4.9332 4.9561 4.9837 5.0919 5.1022 5.1575 5.1968 5.2464 5.2545 5.5329 5.5409 5.8565 5.8698 6.1233 6.1242 6.3659 6.3902 8.5395 8.5417 10.2941 10.2995 10.4595 10.4664 11.4569 11.4698 k =-0.0970 0.1709 1.0423 ( 3937 PWs) bands (ev): -6.9900 -6.9886 -6.4989 -6.4965 -5.9727 -5.9726 -2.5363 -2.5328 0.8079 0.8154 1.6190 1.6265 1.6950 1.7025 2.5130 2.5252 2.8488 2.8536 2.8976 2.9008 3.2936 3.2973 3.3172 3.3297 4.7492 4.7922 4.9244 4.9329 4.9596 4.9838 5.0877 5.0996 5.1577 5.1964 5.2386 5.2464 5.5365 5.5436 5.8647 5.8719 6.1626 6.1629 6.3747 6.3948 8.5122 8.5144 10.3594 10.3639 10.4969 10.5041 11.4998 11.5131 k =-0.0888 0.1564 1.0544 ( 3937 PWs) bands (ev): -6.9899 -6.9886 -6.4972 -6.4949 -5.9687 -5.9687 -2.5432 -2.5397 0.7957 0.8031 1.5939 1.6009 1.7083 1.7157 2.4886 2.5011 2.8442 2.8513 2.9107 2.9140 3.3008 3.3015 3.3251 3.3320 4.7525 4.7926 4.9246 4.9320 4.9645 4.9843 5.0833 5.0970 5.1570 5.1955 5.2317 5.2395 5.5407 5.5471 5.8723 5.8734 6.2004 6.2016 6.3847 6.4005 8.4823 8.4846 10.4183 10.4218 10.5317 10.5384 11.5410 11.5542 k =-0.0806 0.1420 1.0664 ( 3936 PWs) bands (ev): -6.9902 -6.9889 -6.4955 -6.4934 -5.9648 -5.9647 -2.5495 -2.5460 0.7860 0.7931 1.5699 1.5763 1.7222 1.7296 2.4610 2.4733 2.8434 2.8517 2.9224 2.9251 3.3008 3.3031 3.3378 3.3393 4.7558 4.7926 4.9245 4.9310 4.9703 4.9850 5.0789 5.0945 5.1557 5.1940 5.2258 5.2340 5.5452 5.5509 5.8741 5.8790 6.2368 6.2391 6.3961 6.4077 8.4506 8.4528 10.4693 10.4715 10.5628 10.5683 11.5796 11.5922 k =-0.0806 0.1420 1.0664 ( 3936 PWs) bands (ev): -6.9902 -6.9889 -6.4955 -6.4934 -5.9648 -5.9647 -2.5495 -2.5460 0.7860 0.7931 1.5699 1.5763 1.7222 1.7296 2.4610 2.4733 2.8434 2.8517 2.9224 2.9251 3.3008 3.3031 3.3378 3.3393 4.7558 4.7926 4.9245 4.9310 4.9703 4.9850 5.0789 5.0945 5.1557 5.1940 5.2258 5.2340 5.5452 5.5509 5.8741 5.8790 6.2368 6.2391 6.3961 6.4077 8.4506 8.4528 10.4693 10.4715 10.5628 10.5683 11.5796 11.5922 k =-0.0705 0.1242 1.0664 ( 3932 PWs) bands (ev): -6.9785 -6.9773 -6.4985 -6.4966 -5.9568 -5.9568 -2.5688 -2.5657 0.7841 0.7906 1.5377 1.5437 1.7450 1.7523 2.4175 2.4291 2.8474 2.8549 2.9276 2.9298 3.3002 3.3043 3.3535 3.3548 4.7630 4.7932 4.9259 4.9295 4.9769 4.9849 5.0727 5.0907 5.1560 5.1852 5.2202 5.2212 5.5436 5.5502 5.8712 5.8756 6.2764 6.2774 6.4136 6.4221 8.4055 8.4072 10.4896 10.4902 10.5692 10.5734 11.6299 11.6424 k =-0.0605 0.1065 1.0664 ( 3932 PWs) bands (ev): -6.9685 -6.9675 -6.5006 -6.4991 -5.9499 -5.9498 -2.5857 -2.5831 0.7831 0.7889 1.5089 1.5143 1.7690 1.7761 2.3750 2.3858 2.8513 2.8579 2.9315 2.9333 3.2993 3.3036 3.3682 3.3704 4.7696 4.7936 4.9266 4.9277 4.9823 4.9847 5.0671 5.0863 5.1561 5.1777 5.2122 5.2167 5.5423 5.5492 5.8685 5.8723 6.3124 6.3131 6.4313 6.4364 8.3617 8.3630 10.5048 10.5060 10.5755 10.5781 11.6742 11.6862 k =-0.0504 0.0887 1.0664 ( 3932 PWs) bands (ev): -6.9602 -6.9593 -6.5021 -6.5008 -5.9439 -5.9439 -2.6002 -2.5980 0.7828 0.7879 1.4838 1.4886 1.7937 1.8005 2.3345 2.3443 2.8549 2.8604 2.9344 2.9359 3.2985 3.3024 3.3817 3.3840 4.7756 4.7939 4.9256 4.9267 4.9848 4.9865 5.0623 5.0815 5.1559 5.1717 5.2068 5.2143 5.5414 5.5481 5.8662 5.8694 6.3427 6.3453 6.4491 6.4510 8.3208 8.3217 10.5159 10.5185 10.5819 10.5829 11.7119 11.7228 k =-0.0403 0.0710 1.0664 ( 3933 PWs) bands (ev): -6.9535 -6.9528 -6.5031 -6.5021 -5.9390 -5.9390 -2.6122 -2.6104 0.7830 0.7873 1.4629 1.4669 1.8182 1.8245 2.2971 2.3058 2.8581 2.8625 2.9366 2.9377 3.2977 3.3010 3.3933 3.3955 4.7807 4.7942 4.9237 4.9260 4.9853 4.9895 5.0587 5.0764 5.1556 5.1671 5.2042 5.2125 5.5408 5.5468 5.8642 5.8669 6.3671 6.3711 6.4661 6.4668 8.2844 8.2850 10.5239 10.5272 10.5879 10.5881 11.7426 11.7519 k =-0.0302 0.0532 1.0664 ( 3938 PWs) bands (ev): -6.9484 -6.9478 -6.5037 -6.5029 -5.9352 -5.9352 -2.6215 -2.6201 0.7836 0.7869 1.4464 1.4495 1.8412 1.8466 2.2644 2.2716 2.8607 2.8641 2.9381 2.9390 3.2972 3.2998 3.4027 3.4044 4.7850 4.7943 4.9220 4.9247 4.9864 4.9914 5.0564 5.0712 5.1554 5.1636 5.2035 5.2110 5.5406 5.5454 5.8628 5.8648 6.3855 6.3899 6.4811 6.4833 8.2539 8.2542 10.5295 10.5328 10.5927 10.5934 11.7663 11.7735 k =-0.0202 0.0355 1.0664 ( 3930 PWs) bands (ev): -6.9448 -6.9444 -6.5040 -6.5035 -5.9325 -5.9324 -2.6281 -2.6272 0.7843 0.7865 1.4346 1.4367 1.8609 1.8650 2.2385 2.2438 2.8628 2.8651 2.9392 2.9398 3.2969 3.2987 3.4096 3.4109 4.7884 4.7942 4.9209 4.9233 4.9879 4.9922 5.0556 5.0663 5.1556 5.1610 5.2042 5.2097 5.5408 5.5442 5.8619 5.8632 6.3983 6.4018 6.4944 6.4966 8.2309 8.2311 10.5334 10.5359 10.5967 10.5975 11.7832 11.7882 k =-0.0101 0.0177 1.0664 ( 3930 PWs) bands (ev): -6.9425 -6.9424 -6.5040 -6.5038 -5.9308 -5.9308 -2.6320 -2.6316 0.7851 0.7862 1.4276 1.4287 1.8748 1.8771 2.2220 2.2248 2.8643 2.8655 2.9399 2.9402 3.2969 3.2978 3.4139 3.4146 4.7909 4.7937 4.9206 4.9219 4.9895 4.9920 5.0563 5.0619 5.1563 5.1590 5.2054 5.2083 5.5413 5.5430 5.8615 5.8621 6.4060 6.4080 6.5038 6.5051 8.2166 8.2166 10.5359 10.5373 10.5995 10.6000 11.7936 11.7962 k = 0.0000 0.0000 1.0664 ( 3936 PWs) bands (ev): -6.9418 -6.9418 -6.5040 -6.5040 -5.9302 -5.9302 -2.6332 -2.6332 0.7857 0.7857 1.4257 1.4257 1.8806 1.8806 2.2171 2.2171 2.8652 2.8652 2.9402 2.9402 3.2972 3.2972 3.4156 3.4156 4.7926 4.7926 4.9209 4.9209 4.9910 4.9910 5.0584 5.0584 5.1574 5.1574 5.2068 5.2068 5.5420 5.5420 5.8615 5.8615 6.4092 6.4092 6.5076 6.5076 8.2117 8.2117 10.5372 10.5372 10.6006 10.6006 11.7980 11.7980 k = 0.0000 0.0000 1.0664 ( 3936 PWs) bands (ev): -6.9418 -6.9418 -6.5040 -6.5040 -5.9302 -5.9302 -2.6332 -2.6332 0.7857 0.7857 1.4257 1.4257 1.8806 1.8806 2.2171 2.2171 2.8652 2.8652 2.9402 2.9402 3.2972 3.2972 3.4156 3.4156 4.7926 4.7926 4.9209 4.9209 4.9910 4.9910 5.0584 5.0584 5.1574 5.1574 5.2068 5.2068 5.5420 5.5420 5.8615 5.8615 6.4092 6.4092 6.5076 6.5076 8.2117 8.2117 10.5372 10.5372 10.6006 10.6006 11.7980 11.7980 k = 0.0179 0.0101 1.0664 ( 3932 PWs) bands (ev): -6.9417 -6.9416 -6.5044 -6.5041 -5.9304 -5.9298 -2.6333 -2.6332 0.7852 0.7862 1.4232 1.4237 1.8821 1.8837 2.2179 2.2217 2.8530 2.8659 2.9368 2.9506 3.2933 3.2994 3.4140 3.4177 4.7866 4.7975 4.9175 4.9233 4.9822 5.0005 5.0531 5.0643 5.1479 5.1680 5.1966 5.2195 5.5367 5.5478 5.8593 5.8653 6.4018 6.4101 6.5012 6.5106 8.2153 8.2161 10.5246 10.5503 10.5883 10.6134 11.7992 11.7997 k = 0.0357 0.0203 1.0664 ( 3936 PWs) bands (ev): -6.9416 -6.9413 -6.5052 -6.5046 -5.9302 -5.9290 -2.6335 -2.6332 0.7847 0.7866 1.4166 1.4176 1.8882 1.8913 2.2237 2.2315 2.8344 2.8540 2.9417 2.9631 3.2877 3.2997 3.4128 3.4201 4.7798 4.8008 4.9134 4.9244 4.9745 5.0101 5.0485 5.0702 5.1400 5.1774 5.1916 5.2341 5.5320 5.5539 5.8587 5.8705 6.3878 6.4045 6.4916 6.5108 8.2266 8.2282 10.5125 10.5638 10.5765 10.6268 11.8035 11.8046 k = 0.0536 0.0304 1.0664 ( 3930 PWs) bands (ev): -6.9412 -6.9408 -6.5064 -6.5055 -5.9297 -5.9279 -2.6338 -2.6333 0.7841 0.7869 1.4064 1.4078 1.8984 1.9031 2.2342 2.2458 2.8124 2.8342 2.9502 2.9749 3.2807 3.2983 3.4123 3.4227 4.7727 4.8025 4.9092 4.9243 4.9680 5.0191 5.0452 5.0757 5.1338 5.1766 5.2009 5.2500 5.5284 5.5603 5.8598 5.8767 6.3669 6.3920 6.4799 6.5091 8.2449 8.2472 10.5007 10.5641 10.5789 10.6407 11.8108 11.8124 k = 0.0714 0.0406 1.0664 ( 3932 PWs) bands (ev): -6.9407 -6.9401 -6.5079 -6.5068 -5.9289 -5.9266 -2.6342 -2.6335 0.7836 0.7873 1.3935 1.3952 1.9122 1.9184 2.2486 2.2640 2.7884 2.8105 2.9587 2.9847 3.2726 3.2951 3.4123 3.4254 4.7656 4.8025 4.9050 4.9231 4.9625 5.0256 5.0441 5.0800 5.1295 5.1727 5.2176 5.2665 5.5265 5.5672 5.8625 5.8835 6.3394 6.3721 6.4676 6.5064 8.2691 8.2717 10.4893 10.5528 10.5936 10.6552 11.8212 11.8233 k = 0.0893 0.0507 1.0664 ( 3932 PWs) bands (ev): -6.9401 -6.9394 -6.5098 -6.5084 -5.9279 -5.9252 -2.6346 -2.6338 0.7831 0.7876 1.3787 1.3808 1.9293 1.9368 2.2656 2.2849 2.7635 2.7851 2.9657 2.9921 3.2636 3.2907 3.4129 3.4281 4.7589 4.8008 4.9012 4.9213 4.9577 5.0276 5.0473 5.0829 5.1271 5.1697 5.2371 5.2831 5.5265 5.5748 5.8663 5.8907 6.3064 6.3456 6.4557 6.5032 8.2976 8.3004 10.4782 10.5415 10.6089 10.6701 11.8346 11.8372 k = 0.1071 0.0608 1.0664 ( 3938 PWs) bands (ev): -6.9394 -6.9386 -6.5118 -6.5102 -5.9268 -5.9236 -2.6350 -2.6341 0.7826 0.7880 1.3630 1.3653 1.9489 1.9577 2.2841 2.3071 2.7388 2.7593 2.9705 2.9968 3.2542 3.2852 3.4139 3.4307 4.7529 4.7976 4.8979 4.9191 4.9534 5.0264 5.0529 5.0842 5.1265 5.1678 5.2583 5.2989 5.5291 5.5838 5.8708 5.8978 6.2693 6.3139 6.4446 6.4999 8.3288 8.3315 10.4675 10.5305 10.6244 10.6852 11.8509 11.8539 k = 0.1250 0.0710 1.0664 ( 3936 PWs) bands (ev): -6.9387 -6.9377 -6.5138 -6.5121 -5.9256 -5.9219 -2.6355 -2.6344 0.7823 0.7884 1.3473 1.3497 1.9704 1.9803 2.3024 2.3293 2.7153 2.7344 2.9730 2.9986 3.2449 3.2791 3.4152 3.4332 4.7478 4.7933 4.8952 4.9170 4.9493 5.0242 5.0588 5.0844 5.1273 5.1668 5.2801 5.3135 5.5347 5.5946 5.8749 5.9045 6.2297 6.2791 6.4341 6.4965 8.3610 8.3636 10.4573 10.5200 10.6397 10.7002 11.8700 11.8735 k = 0.1429 0.0811 1.0664 ( 3934 PWs) bands (ev): -6.9379 -6.9368 -6.5159 -6.5141 -5.9244 -5.9203 -2.6359 -2.6347 0.7821 0.7888 1.3322 1.3347 1.9934 2.0040 2.3190 2.3495 2.6942 2.7117 2.9731 2.9978 3.2360 3.2730 3.4166 3.4355 4.7438 4.7881 4.8933 4.9150 4.9455 5.0219 5.0638 5.0842 5.1291 5.1662 5.3004 5.3273 5.5436 5.6076 5.8777 5.9105 6.1895 6.2433 6.4242 6.4932 8.3926 8.3949 10.4477 10.5100 10.6544 10.7146 11.8917 11.8957 k = 0.1607 0.0913 1.0664 ( 3934 PWs) bands (ev): -6.9372 -6.9360 -6.5179 -6.5159 -5.9232 -5.9188 -2.6363 -2.6351 0.7819 0.7892 1.3183 1.3210 2.0168 2.0278 2.3324 2.3659 2.6769 2.6926 2.9712 2.9946 3.2281 3.2672 3.4180 3.4375 4.7409 4.7826 4.8922 4.9129 4.9420 5.0197 5.0677 5.0840 5.1317 5.1657 5.3165 5.3414 5.5561 5.6226 5.8779 5.9154 6.1505 6.2089 6.4151 6.4901 8.4222 8.4242 10.4390 10.5010 10.6680 10.7281 11.9156 11.9201 k = 0.1786 0.1014 1.0664 ( 3938 PWs) bands (ev): -6.9365 -6.9353 -6.5196 -6.5176 -5.9221 -5.9175 -2.6367 -2.6354 0.7818 0.7896 1.3063 1.3090 2.0398 2.0507 2.3414 2.3770 2.6644 2.6781 2.9677 2.9895 3.2213 3.2621 3.4193 3.4392 4.7392 4.7770 4.8918 4.9107 4.9389 5.0178 5.0703 5.0838 5.1347 5.1650 5.3270 5.3559 5.5722 5.6387 5.8748 5.9187 6.1146 6.1783 6.4070 6.4873 8.4483 8.4500 10.4313 10.4930 10.6801 10.7400 11.9411 11.9461 k = 0.1964 0.1115 1.0664 ( 3940 PWs) bands (ev): -6.9360 -6.9347 -6.5211 -6.5189 -5.9212 -5.9164 -2.6370 -2.6356 0.7818 0.7900 1.2964 1.2993 2.0612 2.0711 2.3458 2.3823 2.6573 2.6684 2.9635 2.9836 3.2160 3.2580 3.4204 3.4406 4.7384 4.7717 4.8921 4.9084 4.9364 5.0163 5.0719 5.0840 5.1381 5.1640 5.3333 5.3689 5.5912 5.6537 5.8688 5.9196 6.0840 6.1534 6.4002 6.4848 8.4699 8.4713 10.4251 10.4864 10.6902 10.7500 11.9670 11.9726 k = 0.2143 0.1217 1.0664 ( 3936 PWs) bands (ev): -6.9355 -6.9342 -6.5222 -6.5200 -5.9205 -5.9156 -2.6373 -2.6358 0.7819 0.7903 1.2892 1.2921 2.0792 2.0873 2.3468 2.3829 2.6547 2.6629 2.9595 2.9779 3.2122 3.2549 3.4212 3.4417 4.7384 4.7673 4.8930 4.9061 4.9346 5.0152 5.0728 5.0842 5.1413 5.1627 5.3370 5.3785 5.6117 5.6645 5.8620 5.9177 6.0607 6.1356 6.3950 6.4830 8.4859 8.4872 10.4204 10.4815 10.6977 10.7575 11.9912 11.9973 k = 0.2321 0.1318 1.0664 ( 3932 PWs) bands (ev): -6.9353 -6.9339 -6.5229 -6.5206 -5.9201 -5.9151 -2.6374 -2.6359 0.7819 0.7905 1.2847 1.2877 2.0919 2.0974 2.3461 2.3814 2.6547 2.6601 2.9566 2.9738 3.2100 3.2531 3.4217 3.4423 4.7388 4.7643 4.8941 4.9042 4.9335 5.0146 5.0732 5.0844 5.1438 5.1615 5.3389 5.3844 5.6300 5.6684 5.8572 5.9141 6.0463 6.1252 6.3918 6.4819 8.4958 8.4970 10.4175 10.4785 10.7023 10.7621 12.0099 12.0163 k = 0.2500 0.1420 1.0664 ( 3936 PWs) bands (ev): -6.9352 -6.9338 -6.5231 -6.5208 -5.9200 -5.9149 -2.6374 -2.6359 0.7819 0.7906 1.2832 1.2862 2.0968 2.1006 2.3457 2.3805 2.6552 2.6591 2.9556 2.9723 3.2092 3.2524 3.4219 3.4425 4.7390 4.7631 4.8947 4.9033 4.9331 5.0143 5.0733 5.0844 5.1448 5.1610 5.3395 5.3863 5.6386 5.6678 5.8557 5.9122 6.0415 6.1218 6.3907 6.4815 8.4992 8.5003 10.4165 10.4774 10.7039 10.7637 12.0173 12.0237 k = 0.2500 0.1420 1.0664 ( 3936 PWs) bands (ev): -6.9352 -6.9338 -6.5231 -6.5208 -5.9200 -5.9149 -2.6374 -2.6359 0.7819 0.7906 1.2832 1.2862 2.0968 2.1006 2.3457 2.3805 2.6552 2.6591 2.9556 2.9723 3.2092 3.2524 3.4219 3.4425 4.7390 4.7631 4.8947 4.9033 4.9331 5.0143 5.0733 5.0844 5.1448 5.1610 5.3395 5.3863 5.6386 5.6678 5.8557 5.9122 6.0415 6.1218 6.3907 6.4815 8.4992 8.5003 10.4165 10.4774 10.7039 10.7637 12.0173 12.0237 k = 0.2419 0.1562 1.0546 ( 3934 PWs) bands (ev): -6.9353 -6.9339 -6.5233 -6.5210 -5.9200 -5.9149 -2.6370 -2.6355 0.7833 0.7920 1.2826 1.2856 2.0977 2.1016 2.3461 2.3808 2.6562 2.6601 2.9532 2.9701 3.2109 3.2538 3.4211 3.4417 4.7391 4.7632 4.8935 4.9036 4.9341 5.0142 5.0729 5.0844 5.1449 5.1613 5.3388 5.3856 5.6391 5.6684 5.8543 5.9088 6.0445 6.1232 6.3888 6.4794 8.4998 8.5009 10.4118 10.4709 10.7044 10.7625 12.0181 12.0247 k = 0.2339 0.1704 1.0428 ( 3934 PWs) bands (ev): -6.9355 -6.9342 -6.5238 -6.5216 -5.9202 -5.9151 -2.6357 -2.6342 0.7876 0.7962 1.2810 1.2838 2.1006 2.1047 2.3474 2.3818 2.6593 2.6631 2.9463 2.9636 3.2156 3.2579 3.4186 3.4392 4.7396 4.7634 4.8904 4.9045 4.9368 5.0138 5.0718 5.0845 5.1454 5.1623 5.3367 5.3833 5.6405 5.6702 5.8501 5.8997 6.0525 6.1271 6.3831 6.4732 8.5015 8.5028 10.3982 10.4525 10.7045 10.7584 12.0210 12.0279 k = 0.2258 0.1846 1.0310 ( 3934 PWs) bands (ev): -6.9360 -6.9346 -6.5247 -6.5225 -5.9204 -5.9154 -2.6336 -2.6321 0.7947 0.8033 1.2784 1.2809 2.1052 2.1097 2.3495 2.3835 2.6644 2.6682 2.9354 2.9531 3.2230 3.2643 3.4146 3.4351 4.7404 4.7638 4.8859 4.9058 4.9406 5.0131 5.0699 5.0846 5.1460 5.1640 5.3333 5.3796 5.6429 5.6732 5.8436 5.8865 6.0637 6.1333 6.3737 6.4630 8.5044 8.5059 10.3770 10.4252 10.7011 10.7496 12.0269 12.0344 k = 0.2177 0.1988 1.0192 ( 3940 PWs) bands (ev): -6.9366 -6.9352 -6.5259 -6.5237 -5.9208 -5.9158 -2.6306 -2.6291 0.8047 0.8131 1.2749 1.2770 2.1114 2.1164 2.3525 2.3857 2.6715 2.6753 2.9211 2.9392 3.2324 3.2725 3.4090 3.4293 4.7414 4.7643 4.8804 4.9076 4.9451 5.0122 5.0673 5.0849 5.1468 5.1663 5.3287 5.3744 5.6462 5.6772 5.8353 5.8711 6.0763 6.1411 6.3608 6.4488 8.5086 8.5103 10.3502 10.3918 10.6913 10.7344 12.0372 12.0455 k = 0.2097 0.2130 1.0074 ( 3948 PWs) bands (ev): -6.9373 -6.9360 -6.5275 -6.5253 -5.9212 -5.9163 -2.6268 -2.6253 0.8174 0.8256 1.2707 1.2724 2.1189 2.1245 2.3561 2.3885 2.6807 2.6845 2.9041 2.9225 3.2431 3.2819 3.4018 3.4219 4.7427 4.7650 4.8742 4.9098 4.9499 5.0111 5.0639 5.0853 5.1477 5.1691 5.3230 5.3679 5.6504 5.6823 5.8257 5.8546 6.0892 6.1499 6.3443 6.4307 8.5140 8.5159 10.3192 10.3543 10.6733 10.7113 12.0527 12.0623 k = 0.2016 0.2272 0.9955 ( 3942 PWs) bands (ev): -6.9382 -6.9369 -6.5293 -6.5272 -5.9217 -5.9169 -2.6223 -2.6208 0.8328 0.8409 1.2661 1.2672 2.1274 2.1337 2.3605 2.3917 2.6920 2.6957 2.8850 2.9034 3.2546 3.2921 3.3931 3.4130 4.7443 4.7659 4.8677 4.9124 4.9549 5.0100 5.0600 5.0860 5.1486 5.1726 5.3166 5.3604 5.6554 5.6883 5.8155 5.8379 6.1016 6.1591 6.3246 6.4091 8.5206 8.5229 10.2852 10.3142 10.6465 10.6800 12.0692 12.0835 k = 0.1935 0.2414 0.9837 ( 3946 PWs) bands (ev): -6.9393 -6.9380 -6.5315 -6.5294 -5.9224 -5.9176 -2.6171 -2.6155 0.8510 0.8588 1.2611 1.2617 2.1367 2.1436 2.3655 2.3953 2.7054 2.7091 2.8642 2.8823 3.2665 3.3027 3.3829 3.4026 4.7461 4.7668 4.8607 4.9152 4.9597 5.0090 5.0553 5.0868 5.1494 5.1766 5.3096 5.3519 5.6608 5.6949 5.8053 5.8214 6.1129 6.1681 6.3020 6.3840 8.5285 8.5312 10.2490 10.2721 10.6116 10.6409 12.0460 12.0462 k = 0.1855 0.2556 0.9719 ( 3940 PWs) bands (ev): -6.9405 -6.9392 -6.5339 -6.5318 -5.9230 -5.9184 -2.6112 -2.6097 0.8718 0.8793 1.2560 1.2561 2.1464 2.1541 2.3709 2.3991 2.7207 2.7244 2.8422 2.8597 3.2786 3.3133 3.3713 3.3907 4.7481 4.7680 4.8536 4.9181 4.9643 5.0084 5.0501 5.0879 5.1502 5.1811 5.3025 5.3428 5.6667 5.7019 5.7955 5.8059 6.1225 6.1765 6.2769 6.3558 8.5377 8.5408 10.2108 10.2279 10.5703 10.5957 12.0035 12.0065 k = 0.1774 0.2698 0.9601 ( 3940 PWs) bands (ev): -6.9418 -6.9405 -6.5365 -6.5345 -5.9238 -5.9192 -2.6047 -2.6032 0.8952 0.9023 1.2506 1.2512 2.1563 2.1646 2.3767 2.4029 2.7379 2.7417 2.8192 2.8358 3.2903 3.3236 3.3584 3.3776 4.7502 4.7692 4.8462 4.9209 4.9682 5.0082 5.0443 5.0891 5.1507 5.1860 5.2955 5.3332 5.6725 5.7087 5.7867 5.7919 6.1297 6.1838 6.2500 6.3248 8.5480 8.5515 10.1701 10.1813 10.5251 10.5465 11.9573 11.9619 k = 0.1694 0.2840 0.9483 ( 3934 PWs) bands (ev): -6.9432 -6.9420 -6.5394 -6.5374 -5.9246 -5.9201 -2.5978 -2.5963 0.9210 0.9278 1.2454 1.2467 2.1661 2.1751 2.3826 2.4065 2.7566 2.7607 2.7960 2.8110 3.3016 3.3331 3.3444 3.3637 4.7523 4.7706 4.8388 4.9233 4.9711 5.0091 5.0380 5.0904 5.1512 5.1912 5.2890 5.3235 5.6779 5.7146 5.7795 5.7804 6.1332 6.1893 6.2229 6.2919 8.5596 8.5635 10.1261 10.1313 10.4791 10.4964 11.9072 11.9124 k = 0.1613 0.2982 0.9365 ( 3936 PWs) bands (ev): -6.9447 -6.9435 -6.5424 -6.5405 -5.9255 -5.9211 -2.5904 -2.5889 0.9493 0.9557 1.2407 1.2426 2.1756 2.1853 2.3885 2.4097 2.7683 2.7788 2.7811 2.7880 3.3114 3.3301 3.3382 3.3525 4.7542 4.7721 4.8314 4.9251 4.9727 5.0112 5.0313 5.0919 5.1517 5.1967 5.2833 5.3140 5.6823 5.7177 5.7729 5.7746 6.1298 6.1915 6.1987 6.2584 8.5721 8.5765 10.0769 10.0776 10.4350 10.4484 11.8530 11.8582 k = 0.1532 0.3124 0.9247 ( 3934 PWs) bands (ev): -6.9462 -6.9451 -6.5456 -6.5437 -5.9264 -5.9222 -2.5827 -2.5812 0.9798 0.9858 1.2367 1.2391 2.1847 2.1949 2.3941 2.4120 2.7469 2.7583 2.8009 2.8046 3.3089 3.3262 3.3275 3.3559 4.7559 4.7736 4.8242 4.9257 4.9731 5.0146 5.0246 5.0934 5.1525 5.2024 5.2786 5.3051 5.6851 5.7166 5.7713 5.7724 6.1146 6.1828 6.1851 6.2300 8.5857 8.5904 10.0174 10.0235 10.3954 10.4051 11.7952 11.8000 k = 0.1452 0.3266 0.9129 ( 3942 PWs) bands (ev): -6.9479 -6.9468 -6.5488 -6.5471 -5.9273 -5.9233 -2.5747 -2.5733 1.0126 1.0181 1.2334 1.2363 2.1933 2.2040 2.3991 2.4132 2.7237 2.7322 2.8240 2.8278 3.2929 3.3099 3.3352 3.3636 4.7570 4.7751 4.8175 4.9245 4.9724 5.0182 5.0190 5.0948 5.1537 5.2079 5.2751 5.2971 5.6860 5.7116 5.7734 5.7749 6.0877 6.1599 6.1755 6.2170 8.5999 8.6050 9.9529 9.9636 10.3617 10.3684 11.7352 11.7394 k = 0.1371 0.3408 0.9011 ( 3944 PWs) bands (ev): -6.9495 -6.9485 -6.5522 -6.5505 -5.9283 -5.9244 -2.5666 -2.5651 1.0474 1.0524 1.2309 1.2344 2.2012 2.2123 2.4028 2.4125 2.7015 2.7063 2.8481 2.8520 3.2750 3.2916 3.3442 3.3713 4.7571 4.7767 4.8118 4.9212 4.9711 5.0127 5.0241 5.0960 5.1558 5.2130 5.2727 5.2907 5.6853 5.7048 5.7772 5.7816 6.0547 6.1229 6.1716 6.2129 8.6147 8.6201 9.8839 9.8981 10.3346 10.3392 11.6747 11.6782 k = 0.1290 0.3550 0.8893 ( 3946 PWs) bands (ev): -6.9512 -6.9502 -6.5556 -6.5540 -5.9292 -5.9255 -2.5583 -2.5569 1.0841 1.0886 1.2294 1.2333 2.2085 2.2200 2.4048 2.4094 2.6807 2.6812 2.8728 2.8767 3.2563 3.2725 3.3527 3.3784 4.7558 4.7783 4.8074 4.9153 4.9694 5.0085 5.0297 5.0968 5.1590 5.2174 5.2714 5.2864 5.6834 5.6977 5.7833 5.7895 6.0194 6.0822 6.1680 6.2098 8.6297 8.6354 9.8117 9.8284 10.3138 10.3171 11.6153 11.6182 k = 0.1210 0.3692 0.8775 ( 3952 PWs) bands (ev): -6.9529 -6.9519 -6.5590 -6.5575 -5.9302 -5.9267 -2.5500 -2.5487 1.1226 1.1265 1.2287 1.2331 2.2151 2.2269 2.4031 2.4043 2.6577 2.6622 2.8976 2.9013 3.2374 3.2532 3.3606 3.3849 4.7528 4.7797 4.8046 4.9068 4.9676 5.0058 5.0353 5.0973 5.1633 5.2206 5.2712 5.2846 5.6810 5.6914 5.7909 5.7974 5.9837 6.0403 6.1637 6.2059 8.6448 8.6506 9.7377 9.7560 10.2987 10.3014 11.5584 11.5609 k = 0.1129 0.3834 0.8657 ( 3960 PWs) bands (ev): -6.9546 -6.9537 -6.5624 -6.5609 -5.9312 -5.9278 -2.5418 -2.5405 1.1626 1.1661 1.2290 1.2339 2.2210 2.2330 2.3929 2.4001 2.6367 2.6466 2.9221 2.9255 3.2185 3.2341 3.3678 3.3907 4.7481 4.7808 4.8036 4.8960 4.9658 5.0044 5.0409 5.0974 5.1687 5.2224 5.2719 5.2857 5.6786 5.6860 5.7990 5.8039 5.9493 5.9984 6.1581 6.2006 8.6597 8.6656 9.6633 9.6824 10.2887 10.2913 11.5051 11.5072 k = 0.1048 0.3976 0.8539 ( 3962 PWs) bands (ev): -6.9562 -6.9554 -6.5657 -6.5643 -5.9321 -5.9290 -2.5338 -2.5325 1.2035 1.2068 1.2304 1.2362 2.2263 2.2385 2.3786 2.3913 2.6193 2.6342 2.9456 2.9485 3.2002 3.2158 3.3744 3.3958 4.7421 4.7817 4.8041 4.8839 4.9643 5.0040 5.0462 5.0972 5.1753 5.2230 5.2736 5.2895 5.6766 5.6818 5.8067 5.8069 5.9188 5.9578 6.1513 6.1937 8.6740 8.6800 9.5897 9.6091 10.2831 10.2858 11.4561 11.4580 k = 0.0968 0.4118 0.8421 ( 3964 PWs) bands (ev): -6.9578 -6.9570 -6.5689 -6.5676 -5.9330 -5.9301 -2.5260 -2.5248 1.2313 1.2331 1.2501 1.2517 2.2309 2.2432 2.3599 2.3773 2.6062 2.6250 2.9674 2.9695 3.1832 3.1988 3.3804 3.4003 4.7353 4.7819 4.8055 4.8710 4.9632 5.0042 5.0512 5.0967 5.1826 5.2230 5.2760 5.2956 5.6751 5.6787 5.8029 5.8122 5.8963 5.9203 6.1432 6.1853 8.6876 8.6936 9.5179 9.5372 10.2810 10.2840 11.4120 11.4136 k = 0.0887 0.4260 0.8303 ( 3960 PWs) bands (ev): -6.9594 -6.9586 -6.5719 -6.5708 -5.9339 -5.9311 -2.5185 -2.5174 1.2343 1.2383 1.2931 1.2934 2.2348 2.2472 2.3374 2.3577 2.5974 2.6188 2.9866 2.9876 3.1683 3.1842 3.3858 3.4041 4.7282 4.7812 4.8075 4.8585 4.9625 5.0048 5.0558 5.0959 5.1905 5.2229 5.2793 5.3035 5.6739 5.6762 5.7889 5.8115 5.8854 5.8905 6.1339 6.1755 8.7003 8.7061 9.4490 9.4677 10.2820 10.2853 11.3731 11.3745 k = 0.0806 0.4402 0.8185 ( 3956 PWs) bands (ev): -6.9608 -6.9602 -6.5748 -6.5738 -5.9347 -5.9322 -2.5115 -2.5104 1.2376 1.2419 1.3372 1.3379 2.2377 2.2505 2.3117 2.3333 2.5925 2.6150 3.0015 3.0018 3.1570 3.1732 3.3906 3.4074 4.7211 4.7790 4.8099 4.8471 4.9623 5.0054 5.0599 5.0950 5.1986 5.2229 5.2835 5.3125 5.6725 5.6733 5.7683 5.7980 5.8757 5.8840 6.1237 6.1643 8.7118 8.7174 9.3837 9.4015 10.2854 10.2889 11.3395 11.3406 k = 0.0726 0.4544 0.8067 ( 3950 PWs) bands (ev): -6.9622 -6.9616 -6.5775 -6.5766 -5.9354 -5.9331 -2.5048 -2.5038 1.2413 1.2456 1.3819 1.3833 2.2387 2.2527 2.2847 2.3052 2.5907 2.6129 3.0101 3.0116 3.1507 3.1669 3.3949 3.4101 4.7144 4.7747 4.8124 4.8379 4.9627 5.0059 5.0634 5.0938 5.2065 5.2234 5.2889 5.3223 5.6678 5.6697 5.7482 5.7746 5.8747 5.8872 6.1128 6.1520 8.7220 8.7273 9.3226 9.3395 10.2906 10.2943 11.3110 11.3119 k = 0.0645 0.4686 0.7949 ( 3956 PWs) bands (ev): -6.9635 -6.9629 -6.5800 -6.5792 -5.9361 -5.9341 -2.4987 -2.4978 1.2453 1.2495 1.4267 1.4290 2.2322 2.2515 2.2626 2.2768 2.5909 2.6121 3.0128 3.0149 3.1501 3.1657 3.3986 3.4122 4.7083 4.7680 4.8149 4.8313 4.9638 5.0061 5.0664 5.0925 5.2137 5.2242 5.2955 5.3327 5.6565 5.6624 5.7346 5.7519 5.8793 5.8921 6.1014 6.1388 8.7309 8.7359 9.2665 9.2821 10.2971 10.3008 11.2874 11.2881 k = 0.0565 0.4828 0.7831 ( 3962 PWs) bands (ev): -6.9646 -6.9641 -6.5823 -6.5816 -5.9367 -5.9349 -2.4932 -2.4924 1.2495 1.2534 1.4715 1.4746 2.2083 2.2322 2.2559 2.2638 2.5926 2.6121 3.0105 3.0126 3.1548 3.1691 3.4019 3.4139 4.7031 4.7593 4.8171 4.8273 4.9654 5.0059 5.0688 5.0909 5.2200 5.2255 5.3037 5.3434 5.6386 5.6475 5.7296 5.7374 5.8857 5.8974 6.0900 6.1249 8.7385 8.7430 9.2159 9.2299 10.3043 10.3080 11.2684 11.2688 k = 0.0484 0.4970 0.7712 ( 3958 PWs) bands (ev): -6.9656 -6.9652 -6.5843 -6.5837 -5.9372 -5.9357 -2.4883 -2.4876 1.2536 1.2571 1.5155 1.5194 2.1766 2.1989 2.2559 2.2630 2.5952 2.6124 3.0049 3.0067 3.1627 3.1752 3.4048 3.4151 4.6988 4.7495 4.8192 4.8253 4.9677 5.0053 5.0709 5.0892 5.2253 5.2271 5.3135 5.3542 5.6171 5.6254 5.7305 5.7322 5.8924 5.9025 6.0789 6.1109 8.7448 8.7488 9.1711 9.1835 10.3118 10.3153 11.2533 11.2536 k = 0.0403 0.5112 0.7594 ( 3956 PWs) bands (ev): -6.9665 -6.9661 -6.5860 -6.5855 -5.9376 -5.9363 -2.4840 -2.4834 1.2574 1.2606 1.5582 1.5627 2.1434 2.1635 2.2571 2.2634 2.5981 2.6128 2.9977 2.9991 3.1720 3.1825 3.4074 3.4160 4.6957 4.7393 4.8210 4.8245 4.9705 5.0042 5.0727 5.0875 5.2289 5.2295 5.3248 5.3649 5.5948 5.6000 5.7330 5.7346 5.8986 5.9069 6.0687 6.0969 8.7499 8.7533 9.1328 9.1433 10.3191 10.3222 11.2418 11.2420 k = 0.0323 0.5254 0.7476 ( 3964 PWs) bands (ev): -6.9672 -6.9669 -6.5874 -6.5870 -5.9380 -5.9369 -2.4805 -2.4800 1.2609 1.2636 1.5985 1.6034 2.1110 2.1285 2.2585 2.2639 2.6011 2.6131 2.9904 2.9914 3.1810 3.1895 3.4095 3.4165 4.6938 4.7295 4.8225 4.8243 4.9738 5.0024 5.0741 5.0856 5.2307 5.2324 5.3373 5.3748 5.5736 5.5749 5.7367 5.7398 5.9041 5.9105 6.0598 6.0836 8.7539 8.7567 9.1011 9.1097 10.3258 10.3285 11.2333 11.2333 k = 0.0242 0.5396 0.7358 ( 3968 PWs) bands (ev): -6.9677 -6.9675 -6.5885 -6.5882 -5.9382 -5.9374 -2.4777 -2.4774 1.2639 1.2660 1.6349 1.6398 2.0812 2.0956 2.2599 2.2641 2.6040 2.6131 2.9839 2.9847 3.1890 3.1953 3.4114 3.4166 4.6933 4.7205 4.8236 4.8244 4.9776 5.0000 5.0754 5.0838 5.2324 5.2344 5.3507 5.3832 5.5525 5.5546 5.7414 5.7449 5.9085 5.9131 6.0529 6.0716 8.7569 8.7591 9.0764 9.0830 10.3315 10.3336 11.2271 11.2272 k = 0.0161 0.5538 0.7240 ( 3968 PWs) bands (ev): -6.9681 -6.9680 -6.5893 -6.5891 -5.9383 -5.9378 -2.4757 -2.4754 1.2663 1.2677 1.6652 1.6694 2.0568 2.0673 2.2611 2.2640 2.6066 2.6128 2.9789 2.9794 3.1953 3.1996 3.4130 3.4165 4.6943 4.7126 4.8244 4.8247 4.9816 4.9971 5.0766 5.0821 5.2339 5.2356 5.3641 5.3888 5.5349 5.5387 5.7460 5.7489 5.9120 5.9149 6.0485 6.0614 8.7591 8.7606 9.0589 9.0633 10.3360 10.3374 11.2231 11.2231 k = 0.0081 0.5680 0.7122 ( 3966 PWs) bands (ev): -6.9684 -6.9683 -6.5898 -6.5896 -5.9384 -5.9381 -2.4744 -2.4743 1.2679 1.2686 1.6864 1.6888 2.0411 2.0468 2.2622 2.2637 2.6088 2.6119 2.9759 2.9761 3.1996 3.2018 3.4143 3.4160 4.6967 4.7059 4.8248 4.8249 4.9857 4.9936 5.0778 5.0805 5.2351 5.2361 5.3764 5.3900 5.5241 5.5271 5.7495 5.7512 5.9143 5.9156 6.0471 6.0537 8.7606 8.7613 9.0488 9.0511 10.3389 10.3396 11.2208 11.2208 k = 0.0000 0.5822 0.7004 ( 3966 PWs) bands (ev): -6.9684 -6.9684 -6.5899 -6.5899 -5.9383 -5.9383 -2.4740 -2.4740 1.2686 1.2686 1.6949 1.6949 2.0374 2.0374 2.2630 2.2630 2.6106 2.6106 2.9749 2.9749 3.2018 3.2018 3.4153 3.4153 4.7006 4.7006 4.8250 4.8250 4.9898 4.9898 5.0791 5.0791 5.2359 5.2359 5.3856 5.3856 5.5217 5.5217 5.7513 5.7513 5.9155 5.9155 6.0488 6.0488 8.7613 8.7613 9.0462 9.0462 10.3401 10.3401 11.2201 11.2201 k = 0.0000 0.5822 0.7004 ( 3966 PWs) bands (ev): -6.9684 -6.9684 -6.5899 -6.5899 -5.9383 -5.9383 -2.4740 -2.4740 1.2686 1.2686 1.6949 1.6949 2.0374 2.0374 2.2630 2.2630 2.6106 2.6106 2.9749 2.9749 3.2018 3.2018 3.4153 3.4153 4.7006 4.7006 4.8250 4.8250 4.9898 4.9898 5.0791 5.0791 5.2359 5.2359 5.3856 5.3856 5.5217 5.5217 5.7513 5.7513 5.9155 5.9155 6.0488 6.0488 8.7613 8.7613 9.0462 9.0462 10.3401 10.3401 11.2201 11.2201 k = 0.0185 0.5884 0.6952 ( 3960 PWs) bands (ev): -6.9686 -6.9685 -6.5897 -6.5894 -5.9390 -5.9389 -2.4735 -2.4733 1.2693 1.2702 1.6932 1.6941 2.0336 2.0369 2.2632 2.2663 2.6105 2.6111 2.9756 2.9768 3.1999 3.2034 3.4138 3.4164 4.6928 4.7073 4.8156 4.8364 4.9854 4.9948 5.0785 5.0802 5.2284 5.2440 5.3835 5.3871 5.5189 5.5235 5.7484 5.7549 5.9003 5.9231 6.0394 6.0677 8.7599 8.7603 9.0468 9.0479 10.3304 10.3350 11.2170 11.2181 k = 0.0370 0.5947 0.6901 ( 3961 PWs) bands (ev): -6.9689 -6.9688 -6.5888 -6.5882 -5.9411 -5.9407 -2.4721 -2.4717 1.2720 1.2739 1.6891 1.6908 2.0259 2.0321 2.2666 2.2724 2.6108 2.6119 2.9789 2.9814 3.1976 3.2047 3.4118 3.4172 4.6844 4.7123 4.8087 4.8493 4.9816 5.0002 5.0784 5.0817 5.2215 5.2525 5.3808 5.3876 5.5153 5.5242 5.7454 5.7593 5.8833 5.9181 6.0439 6.0911 8.7563 8.7571 9.0498 9.0519 10.3068 10.3156 11.2092 11.2113 k = 0.0555 0.6009 0.6849 ( 3969 PWs) bands (ev): -6.9696 -6.9693 -6.5873 -6.5864 -5.9443 -5.9439 -2.4696 -2.4690 1.2770 1.2798 1.6825 1.6850 2.0151 2.0235 2.2730 2.2808 2.6115 2.6130 2.9845 2.9883 3.1951 3.2055 3.4096 3.4175 4.6759 4.7150 4.8046 4.8633 4.9784 5.0060 5.0788 5.0835 5.2154 5.2614 5.3777 5.3873 5.5108 5.5238 5.7412 5.7644 5.8683 5.9024 6.0599 6.1161 8.7506 8.7517 9.0550 9.0581 10.2708 10.2835 11.1970 11.2002 k = 0.0740 0.6071 0.6797 ( 3963 PWs) bands (ev): -6.9704 -6.9702 -6.5851 -6.5839 -5.9488 -5.9482 -2.4662 -2.4654 1.2840 1.2877 1.6736 1.6769 2.0021 2.0119 2.2816 2.2909 2.6125 2.6144 2.9924 2.9975 3.1922 3.2059 3.4072 3.4175 4.6676 4.7152 4.8035 4.8784 4.9759 5.0121 5.0798 5.0856 5.2100 5.2703 5.3745 5.3860 5.5058 5.5226 5.7349 5.7705 5.8577 5.8816 6.0819 6.1415 8.7430 8.7445 9.0623 9.0663 10.2248 10.2408 11.1813 11.1856 k = 0.0926 0.6133 0.6746 ( 3960 PWs) bands (ev): -6.9717 -6.9713 -6.5823 -6.5808 -5.9543 -5.9536 -2.4618 -2.4609 1.2931 1.2977 1.6626 1.6666 1.9876 1.9981 2.2919 2.3019 2.6138 2.6160 3.0021 3.0087 3.1891 3.2058 3.4046 3.4171 4.6596 4.7132 4.8049 4.8943 4.9742 5.0184 5.0815 5.0878 5.2054 5.2789 5.3715 5.3837 5.5004 5.5204 5.7257 5.7772 5.8511 5.8606 6.1062 6.1664 8.7339 8.7356 9.0715 9.0762 10.1716 10.1902 11.1629 11.1683 k = 0.1111 0.6195 0.6694 ( 3959 PWs) bands (ev): -6.9732 -6.9729 -6.5788 -6.5771 -5.9608 -5.9599 -2.4567 -2.4555 1.3041 1.3096 1.6495 1.6543 1.9722 1.9831 2.3032 2.3135 2.6153 2.6178 3.0133 3.0216 3.1856 3.2052 3.4020 3.4164 4.6521 4.7096 4.8078 4.9107 4.9731 5.0247 5.0837 5.0901 5.2015 5.2863 5.3694 5.3807 5.4948 5.5174 5.7141 5.7841 5.8346 5.8553 6.1308 6.1901 8.7236 8.7255 9.0823 9.0877 10.1135 10.1342 11.1430 11.1494 k = 0.1296 0.6257 0.6642 ( 3959 PWs) bands (ev): -6.9752 -6.9748 -6.5748 -6.5727 -5.9680 -5.9670 -2.4508 -2.4493 1.3168 1.3232 1.6347 1.6401 1.9566 1.9675 2.3151 2.3253 2.6170 2.6197 3.0258 3.0357 3.1819 3.2040 3.3994 3.4154 4.6453 4.7052 4.8116 4.9276 4.9728 5.0311 5.0864 5.0925 5.1981 5.2916 5.3690 5.3773 5.4893 5.5138 5.7014 5.7881 5.8167 5.8595 6.1546 6.2122 8.7125 8.7146 9.0945 9.1004 10.0531 10.0753 11.1223 11.1296 k = 0.1481 0.6320 0.6591 ( 3961 PWs) bands (ev): -6.9777 -6.9773 -6.5702 -6.5678 -5.9758 -5.9747 -2.4442 -2.4426 1.3312 1.3383 1.6185 1.6245 1.9413 1.9519 2.3271 2.3370 2.6188 2.6216 3.0390 3.0509 3.1779 3.2021 3.3970 3.4143 4.6392 4.7005 4.8154 4.9445 4.9731 5.0372 5.0893 5.0951 5.1950 5.2933 5.3706 5.3746 5.4838 5.5096 5.6890 5.7792 5.8132 5.8668 6.1768 6.2322 8.7011 8.7032 9.1077 9.1140 9.9925 10.0157 11.1016 11.1097 k = 0.1666 0.6382 0.6539 ( 3955 PWs) bands (ev): -6.9808 -6.9804 -6.5651 -6.5624 -5.9841 -5.9829 -2.4371 -2.4352 1.3468 1.3547 1.6013 1.6076 1.9266 1.9368 2.3391 2.3486 2.6207 2.6234 3.0527 3.0666 3.1737 3.1994 3.3949 3.4131 4.6339 4.6959 4.8188 4.9610 4.9743 5.0431 5.0921 5.0985 5.1918 5.2912 5.3697 5.3785 5.4788 5.5049 5.6779 5.7616 5.8206 5.8759 6.1967 6.2495 8.6897 8.6917 9.1215 9.1280 9.9337 9.9575 11.0815 11.0901 k = 0.1851 0.6444 0.6487 ( 3948 PWs) bands (ev): -6.9846 -6.9841 -6.5595 -6.5565 -5.9925 -5.9912 -2.4296 -2.4274 1.3633 1.3720 1.5835 1.5901 1.9128 1.9226 2.3508 2.3598 2.6225 2.6251 3.0664 3.0824 3.1694 3.1959 3.3931 3.4119 4.6296 4.6917 4.8217 4.9727 4.9801 5.0485 5.0946 5.1026 5.1880 5.2855 5.3678 5.3873 5.4743 5.4999 5.6687 5.7438 5.8304 5.8859 6.2138 6.2640 8.6788 8.6807 9.1354 9.1416 9.8786 9.9025 11.0619 11.0710 k = 0.2036 0.6506 0.6436 ( 3946 PWs) bands (ev): -6.9891 -6.9886 -6.5534 -6.5502 -6.0009 -5.9995 -2.4217 -2.4193 1.3799 1.3895 1.5659 1.5726 1.9003 1.9097 2.3620 2.3705 2.6241 2.6265 3.0797 3.0979 3.1650 3.1916 3.3919 3.4107 4.6262 4.6881 4.8239 4.9754 4.9939 5.0531 5.0971 5.1073 5.1829 5.2778 5.3673 5.3983 5.4705 5.4945 5.6619 5.7281 5.8408 5.8963 6.2274 6.2752 8.6689 8.6706 9.1486 9.1543 9.8290 9.8528 11.0431 11.0522 k = 0.2221 0.6568 0.6384 ( 3950 PWs) bands (ev): -6.9944 -6.9939 -6.5469 -6.5434 -6.0090 -6.0076 -2.4135 -2.4109 1.3956 1.4061 1.5497 1.5561 1.8894 1.8984 2.3726 2.3805 2.6255 2.6275 3.0924 3.1125 3.1609 3.1864 3.3911 3.4098 4.6237 4.6849 4.8254 4.9771 5.0067 5.0568 5.1001 5.1120 5.1763 5.2693 5.3684 5.4105 5.4677 5.4889 5.6574 5.7151 5.8513 5.9065 6.2371 6.2828 8.6603 8.6617 9.1602 9.1650 9.7867 9.8101 11.0247 11.0338 k = 0.2406 0.6630 0.6332 ( 3949 PWs) bands (ev): -7.0007 -7.0003 -6.5401 -6.5363 -6.0167 -6.0153 -2.4053 -2.4024 1.4085 1.4199 1.5367 1.5425 1.8803 1.8891 2.3825 2.3898 2.6266 2.6282 3.1038 3.1251 3.1580 3.1806 3.3909 3.4092 4.6222 4.6824 4.8262 4.9788 5.0163 5.0598 5.1039 5.1161 5.1687 5.2616 5.3713 5.4230 5.4664 5.4831 5.6554 5.7057 5.8614 5.9163 6.2426 6.2867 8.6533 8.6543 9.1693 9.1728 9.7535 9.7763 11.0068 11.0156 k = 0.2592 0.6692 0.6281 ( 3952 PWs) bands (ev): -7.0081 -7.0076 -6.5329 -6.5288 -6.0236 -6.0223 -2.3969 -2.3938 1.4156 1.4279 1.5296 1.5347 1.8735 1.8820 2.3915 2.3983 2.6273 2.6283 3.1130 3.1335 3.1586 3.1746 3.3911 3.4090 4.6218 4.6806 4.8263 4.9804 5.0213 5.0622 5.1078 5.1181 5.1618 5.2559 5.3755 5.4348 5.4673 5.4773 5.6557 5.7004 5.8710 5.9254 6.2436 6.2868 8.6483 8.6489 9.1750 9.1770 9.7305 9.7529 10.9896 10.9981 k = 0.2777 0.6755 0.6229 ( 3954 PWs) bands (ev): -7.0165 -7.0161 -6.5254 -6.5211 -6.0297 -6.0284 -2.3886 -2.3852 1.4146 1.4274 1.5306 1.5355 1.8694 1.8774 2.3995 2.4058 2.6275 2.6279 3.1182 3.1368 3.1618 3.1716 3.3917 3.4093 4.6223 4.6793 4.8259 4.9819 5.0213 5.0643 5.1105 5.1159 5.1592 5.2531 5.3806 5.4448 5.4697 5.4732 5.6582 5.6998 5.8798 5.9335 6.2401 6.2830 8.6453 8.6457 9.1766 9.1773 9.7187 9.7409 10.9738 10.9820 k = 0.2777 0.6755 0.6229 ( 3954 PWs) bands (ev): -7.0165 -7.0161 -6.5254 -6.5211 -6.0297 -6.0284 -2.3886 -2.3852 1.4146 1.4274 1.5306 1.5355 1.8694 1.8774 2.3995 2.4058 2.6275 2.6279 3.1182 3.1368 3.1618 3.1716 3.3917 3.4093 4.6223 4.6793 4.8259 4.9819 5.0213 5.0643 5.1105 5.1159 5.1592 5.2531 5.3806 5.4448 5.4697 5.4732 5.6582 5.6998 5.8798 5.9335 6.2401 6.2830 8.6453 8.6457 9.1766 9.1773 9.7187 9.7409 10.9738 10.9820 k = 0.2835 0.6652 0.6065 ( 3948 PWs) bands (ev): -7.0478 -7.0474 -6.4996 -6.4946 -6.0479 -6.0467 -2.3605 -2.3563 1.3980 1.4114 1.5474 1.5522 1.8597 1.8667 2.4250 2.4302 2.6247 2.6265 3.1259 3.1429 3.1659 3.1763 3.3939 3.4105 4.6259 4.6757 4.8252 4.9867 5.0139 5.0693 5.1006 5.1153 5.1601 5.2487 5.3987 5.4549 5.4712 5.4944 5.6704 5.7063 5.9058 5.9572 6.2226 6.2661 8.6393 8.6394 9.1765 9.1770 9.7011 9.7233 10.9264 10.9341 k = 0.2894 0.6549 0.5901 ( 3952 PWs) bands (ev): -7.0833 -7.0829 -6.4717 -6.4661 -6.0667 -6.0657 -2.3287 -2.3236 1.3809 1.3948 1.5659 1.5708 1.8490 1.8552 2.4537 2.4580 2.6195 2.6233 3.1334 3.1486 3.1705 3.1814 3.3956 3.4109 4.6300 4.6708 4.8274 4.9912 5.0082 5.0730 5.0863 5.1198 5.1580 5.2439 5.4142 5.4507 5.4817 5.5307 5.6838 5.7141 5.9311 5.9803 6.2072 6.2515 8.6337 8.6337 9.1819 9.1837 9.6872 9.7093 10.8780 10.8849 k = 0.2952 0.6446 0.5737 ( 3942 PWs) bands (ev): -7.1219 -7.1213 -6.4428 -6.4367 -6.0860 -6.0852 -2.2932 -2.2874 1.3634 1.3776 1.5860 1.5911 1.8385 1.8439 2.4845 2.4881 2.6128 2.6180 3.1407 3.1542 3.1756 3.1865 3.3967 3.4105 4.6346 4.6650 4.8328 4.9950 5.0047 5.0737 5.0755 5.1239 5.1540 5.2392 5.4245 5.4463 5.5021 5.5675 5.6983 5.7232 5.9555 6.0026 6.1943 6.2397 8.6285 8.6287 9.1936 9.1967 9.6769 9.6986 10.8286 10.8346 k = 0.3011 0.6342 0.5573 ( 3944 PWs) bands (ev): -7.1625 -7.1619 -6.4138 -6.4072 -6.1059 -6.1053 -2.2544 -2.2479 1.3453 1.3599 1.6077 1.6130 1.8290 1.8337 2.5166 2.5192 2.6050 2.6109 3.1477 3.1595 3.1808 3.1915 3.3974 3.4094 4.6395 4.6586 4.8409 4.9962 5.0045 5.0636 5.0767 5.1274 5.1485 5.2344 5.4317 5.4432 5.5291 5.6028 5.7137 5.7335 5.9790 6.0241 6.1842 6.2311 8.6241 8.6243 9.2116 9.2160 9.6699 9.6911 10.7781 10.7830 k = 0.3069 0.6239 0.5409 ( 3944 PWs) bands (ev): -7.2047 -7.2039 -6.3851 -6.3782 -6.1263 -6.1257 -2.2124 -2.2052 1.3270 1.3417 1.6309 1.6363 1.8209 1.8250 2.5492 2.5494 2.5978 2.6026 3.1543 3.1646 3.1859 3.1961 3.3976 3.4077 4.6445 4.6520 4.8516 4.9940 5.0076 5.0569 5.0765 5.1301 5.1425 5.2297 5.4387 5.4418 5.5588 5.6355 5.7299 5.7449 6.0016 6.0445 6.1775 6.2262 8.6206 8.6207 9.2359 9.2416 9.6660 9.6865 10.7263 10.7300 k = 0.3128 0.6136 0.5246 ( 3938 PWs) bands (ev): -7.2477 -7.2467 -6.3572 -6.3500 -6.1470 -6.1466 -2.1674 -2.1596 1.3087 1.3233 1.6554 1.6609 1.8146 1.8180 2.5674 2.5785 2.5966 2.6021 3.1606 3.1694 3.1908 3.2004 3.3976 3.4054 4.6455 4.6496 4.8645 4.9899 5.0119 5.0547 5.0750 5.1319 5.1365 5.2248 5.4423 5.4467 5.5888 5.6649 5.7469 5.7576 6.0233 6.0636 6.1749 6.2255 8.6181 8.6182 9.2665 9.2735 9.6647 9.6844 10.6730 10.6753 k = 0.3186 0.6033 0.5082 ( 3944 PWs) bands (ev): -7.2913 -7.2902 -6.3304 -6.3229 -6.1680 -6.1677 -2.1198 -2.1114 1.2907 1.3050 1.6810 1.6866 1.8101 1.8128 2.5625 2.5772 2.6201 2.6285 3.1663 3.1738 3.1954 3.2041 3.3972 3.4025 4.6394 4.6547 4.8795 4.9839 5.0168 5.0573 5.0721 5.1306 5.1326 5.2199 5.4450 5.4561 5.6176 5.6901 5.7644 5.7713 6.0439 6.0809 6.1771 6.2296 8.6167 8.6170 9.3033 9.3115 9.6658 9.6844 10.6178 10.6184 k = 0.3245 0.5930 0.4918 ( 3946 PWs) bands (ev): -7.3351 -7.3339 -6.3048 -6.2971 -6.1893 -6.1891 -2.0697 -2.0608 1.2733 1.2874 1.7076 1.7133 1.8072 1.8093 2.5509 2.5653 2.6532 2.6610 3.1714 3.1778 3.1996 3.2071 3.3965 3.3991 4.6339 4.6597 4.8962 4.9768 5.0218 5.0643 5.0682 5.1251 5.1321 5.2150 5.4499 5.4671 5.6443 5.7109 5.7824 5.7859 6.0634 6.0960 6.1853 6.2390 8.6164 8.6171 9.3462 9.3555 9.6688 9.6860 10.5588 10.5600 k = 0.3303 0.5827 0.4754 ( 3944 PWs) bands (ev): -7.3789 -7.3775 -6.2806 -6.2727 -6.2107 -6.2106 -2.0175 -2.0082 1.2571 1.2708 1.7350 1.7407 1.8058 1.8073 2.5375 2.5519 2.6869 2.6946 3.1760 3.1813 3.2033 3.2095 3.3953 3.3956 4.6291 4.6646 4.9144 4.9692 5.0267 5.0635 5.0753 5.1197 5.1308 5.2106 5.4571 5.4794 5.6683 5.7277 5.8001 5.8013 6.0817 6.1086 6.1999 6.2541 8.6173 8.6186 9.3949 9.4054 9.6733 9.6889 10.4959 10.4990 k = 0.3362 0.5724 0.4590 ( 3948 PWs) bands (ev): -7.4224 -7.4209 -6.2581 -6.2499 -6.2322 -6.2320 -1.9636 -1.9538 1.2425 1.2557 1.7630 1.7686 1.8057 1.8065 2.5233 2.5378 2.7206 2.7284 3.1798 3.1843 3.2064 3.2113 3.3911 3.3945 4.6251 4.6695 4.9338 4.9616 5.0310 5.0585 5.0890 5.1140 5.1291 5.2067 5.4664 5.4929 5.6892 5.7410 5.8146 5.8199 6.0985 6.1192 6.2210 6.2751 8.6194 8.6215 9.4493 9.4607 9.6790 9.6925 10.4289 10.4341 k = 0.3420 0.5621 0.4426 ( 3950 PWs) bands (ev): -7.4655 -7.4639 -6.2540 -6.2538 -6.2363 -6.2285 -1.9082 -1.8982 1.2300 1.2426 1.7913 1.7961 1.8066 1.8075 2.5086 2.5233 2.7542 2.7621 3.1828 3.1868 3.2090 3.2125 3.3867 3.3933 4.6221 4.6742 4.9534 4.9550 5.0345 5.0534 5.1023 5.1079 5.1301 5.2037 5.4777 5.5072 5.7067 5.7512 5.8282 5.8390 6.1137 6.1284 6.2478 6.3019 8.6226 8.6256 9.5089 9.5210 9.6854 9.6964 10.3573 10.3645 k = 0.3479 0.5518 0.4262 ( 3950 PWs) bands (ev): -7.5079 -7.5062 -6.2753 -6.2752 -6.2168 -6.2088 -1.8519 -1.8416 1.2200 1.2320 1.8061 1.8078 1.8203 1.8268 2.4938 2.5085 2.7876 2.7957 3.1850 3.1887 3.2110 3.2132 3.3821 3.3918 4.6200 4.6790 4.9474 4.9748 5.0374 5.0484 5.1013 5.1074 5.1415 5.2019 5.4909 5.5222 5.7211 5.7589 5.8410 5.8585 6.1273 6.1366 6.2798 6.3341 8.6265 8.6308 9.5732 9.5852 9.6926 9.7006 10.2809 10.2898 k = 0.3537 0.5415 0.4098 ( 3954 PWs) bands (ev): -7.5496 -7.5479 -6.2967 -6.2964 -6.1987 -6.1906 -1.7949 -1.7845 1.2130 1.2243 1.8076 1.8100 1.8488 1.8550 2.4791 2.4937 2.8208 2.8288 3.1863 3.1901 3.2125 3.2137 3.3772 3.3902 4.6187 4.6837 4.9411 4.9950 5.0395 5.0438 5.0946 5.1045 5.1626 5.2017 5.5055 5.5375 5.7326 5.7645 5.8534 5.8784 6.1392 6.1441 6.3163 6.3711 8.6307 8.6365 9.6396 9.6482 9.7018 9.7085 10.2004 10.2098 k = 0.3596 0.5312 0.3934 ( 3954 PWs) bands (ev): -7.5904 -7.5886 -6.3178 -6.3175 -6.1821 -6.1739 -1.7378 -1.7273 1.2094 1.2199 1.8090 1.8123 1.8772 1.8832 2.4647 2.4792 2.8535 2.8613 3.1866 3.1911 3.2135 3.2143 3.3723 3.3883 4.6183 4.6884 4.9352 5.0133 5.0400 5.0408 5.0884 5.0991 5.1880 5.2035 5.5213 5.5528 5.7416 5.7682 5.8657 5.8988 6.1497 6.1509 6.3569 6.4120 8.6344 8.6421 9.6788 9.6870 9.7328 9.7490 10.1180 10.1258 k = 0.3654 0.5209 0.3770 ( 3950 PWs) bands (ev): -7.6302 -7.6284 -6.3386 -6.3382 -6.1668 -6.1588 -1.6809 -1.6704 1.2096 1.2193 1.8104 1.8147 1.9050 1.9108 2.4508 2.4652 2.8856 2.8931 3.1860 3.1917 3.2142 3.2152 3.3672 3.3862 4.6186 4.6932 4.9299 5.0259 5.0386 5.0411 5.0842 5.0930 5.2081 5.2160 5.5380 5.5678 5.7487 5.7704 5.8782 5.9195 6.1571 6.1589 6.4012 6.4564 8.6364 8.6465 9.6726 9.6946 9.8036 9.8217 10.0387 10.0411 k = 0.3713 0.5106 0.3606 ( 3946 PWs) bands (ev): -7.6689 -7.6670 -6.3591 -6.3586 -6.1530 -6.1450 -1.6248 -1.6144 1.2139 1.2228 1.8116 1.8172 1.9319 1.9376 2.4377 2.4519 2.9169 2.9238 3.1845 3.1920 3.2148 3.2166 3.3621 3.3838 4.6195 4.6979 4.9250 5.0278 5.0403 5.0410 5.0844 5.0870 5.2166 5.2458 5.5553 5.5824 5.7541 5.7714 5.8910 5.9407 6.1627 6.1669 6.4486 6.5036 8.6352 8.6480 9.6473 9.6875 9.8811 9.8997 9.9648 9.9735 k = 0.3771 0.5003 0.3442 ( 3950 PWs) bands (ev): -7.7064 -7.7045 -6.3791 -6.3786 -6.1405 -6.1327 -1.5699 -1.5596 1.2228 1.2306 1.8127 1.8195 1.9577 1.9631 2.4256 2.4396 2.9470 2.9530 3.1822 3.1921 3.2156 3.2188 3.3568 3.3812 4.6210 4.7026 4.9205 5.0252 5.0383 5.0398 5.0811 5.0893 5.2297 5.2770 5.5730 5.5963 5.7583 5.7714 5.9044 5.9623 6.1676 6.1738 6.4986 6.5531 8.6285 8.6442 9.6002 9.6612 9.8923 9.9151 9.9774 9.9960 k = 0.3830 0.4900 0.3278 ( 3954 PWs) bands (ev): -7.7426 -7.7407 -6.3986 -6.3981 -6.1293 -6.1216 -1.5166 -1.5064 1.2364 1.2431 1.8134 1.8218 1.9820 1.9871 2.4149 2.4286 2.9754 2.9803 3.1795 3.1920 3.2170 3.2223 3.3515 3.3782 4.6229 4.7072 4.9163 5.0215 5.0350 5.0351 5.0762 5.0948 5.2478 5.3089 5.5907 5.6092 5.7617 5.7709 5.9186 5.9843 6.1720 6.1798 6.5509 6.6046 8.6134 8.6320 9.5341 9.6093 9.8632 9.8931 10.0631 10.0824 k = 0.3888 0.4797 0.3115 ( 3942 PWs) bands (ev): -7.7774 -7.7755 -6.4176 -6.4170 -6.1193 -6.1118 -1.4653 -1.4554 1.2548 1.2602 1.8139 1.8240 2.0044 2.0092 2.4058 2.4191 3.0016 3.0051 3.1764 3.1917 3.2199 3.2274 3.3461 3.3749 4.6252 4.7117 4.9124 5.0164 5.0302 5.0306 5.0721 5.0986 5.2707 5.3412 5.6085 5.6211 5.7646 5.7698 5.9336 6.0068 6.1758 6.1851 6.6052 6.6577 8.5864 8.6072 9.4602 9.5409 9.8572 9.8870 10.1538 10.1736 k = 0.3947 0.4694 0.2951 ( 3944 PWs) bands (ev): -7.8108 -7.8090 -6.4360 -6.4354 -6.1103 -6.1030 -1.4164 -1.4068 1.2783 1.2822 1.8142 1.8261 2.0245 2.0291 2.3985 2.4115 3.0248 3.0267 3.1731 3.1912 3.2248 3.2346 3.3405 3.3712 4.6276 4.7159 4.9086 5.0093 5.0252 5.0266 5.0686 5.1000 5.2971 5.3732 5.6262 5.6318 5.7671 5.7686 5.9498 6.0297 6.1791 6.1896 6.6610 6.7120 8.5441 8.5654 9.3905 9.4714 9.8664 9.8927 10.2470 10.2671 k = 0.4005 0.4591 0.2787 ( 3946 PWs) bands (ev): -7.8427 -7.8409 -6.4537 -6.4531 -6.1024 -6.0954 -1.3703 -1.3610 1.3066 1.3087 1.8143 1.8283 2.0421 2.0464 2.3935 2.4061 3.0443 3.0445 3.1699 3.1905 3.2325 3.2443 3.3347 3.3672 4.6302 4.7198 4.9050 5.0010 5.0195 5.0244 5.0657 5.0995 5.3259 5.4041 5.6412 5.6436 5.7672 5.7693 5.9673 6.0531 6.1820 6.1935 6.7180 6.7673 8.4841 8.5038 9.3332 9.4107 9.8853 9.9072 10.3417 10.3621 k = 0.4064 0.4488 0.2623 ( 3956 PWs) bands (ev): -7.8730 -7.8713 -6.4706 -6.4700 -6.0954 -6.0887 -1.3271 -1.3183 1.3397 1.3397 1.8142 1.8307 2.0567 2.0608 2.3908 2.4029 3.0584 3.0596 3.1669 3.1896 3.2434 3.2566 3.3288 3.3628 4.6327 4.7232 4.9015 4.9922 5.0138 5.0230 5.0631 5.0976 5.3560 5.4331 5.6492 5.6609 5.7657 5.7714 5.9865 6.0769 6.1846 6.1969 6.7759 6.8232 8.4061 8.4224 9.2912 9.3626 9.9120 9.9290 10.4373 10.4579 k = 0.4122 0.4385 0.2459 ( 3968 PWs) bands (ev): -7.9018 -7.9001 -6.4868 -6.4862 -6.0894 -6.0829 -1.2871 -1.2787 1.3747 1.3771 1.8143 1.8336 2.0684 2.0723 2.3906 2.4021 3.0684 3.0708 3.1641 3.1888 3.2575 3.2713 3.3227 3.3582 4.6352 4.7260 4.8982 4.9833 5.0082 5.0221 5.0606 5.0946 5.3865 5.4593 5.6560 5.6781 5.7645 5.7735 6.0076 6.1014 6.1868 6.1998 6.8342 6.8794 8.3125 8.3241 9.2636 9.3273 9.9456 9.9578 10.5331 10.5539 k = 0.4181 0.4282 0.2295 ( 3964 PWs) bands (ev): -7.9288 -7.9272 -6.5022 -6.5016 -6.0840 -6.0779 -1.2503 -1.2425 1.4130 1.4184 1.8146 1.8373 2.0772 2.0808 2.3928 2.4037 3.0749 3.0781 3.1619 3.1882 3.2742 3.2878 3.3164 3.3534 4.6376 4.7281 4.8952 4.9746 5.0031 5.0217 5.0582 5.0908 5.4165 5.4820 5.6617 5.6950 5.7635 5.7756 6.0311 6.1265 6.1888 6.2024 6.8926 6.9356 8.2071 8.2141 9.2469 9.3025 9.9859 9.9934 10.6284 10.6493 k = 0.4239 0.4179 0.2131 ( 3962 PWs) bands (ev): -7.9542 -7.9527 -6.5166 -6.5161 -6.0794 -6.0737 -1.2169 -1.2096 1.4537 1.4628 1.8156 1.8421 2.0831 2.0866 2.3971 2.4073 3.0786 3.0823 3.1602 3.1879 3.2926 3.3048 3.3101 3.3489 4.6397 4.7293 4.8925 4.9663 4.9987 5.0215 5.0559 5.0865 5.4450 5.5004 5.6666 5.7111 5.7633 5.7778 6.0570 6.1522 6.1907 6.2049 6.9508 6.9912 8.0941 8.0972 9.2374 9.2853 10.0328 10.0355 10.7225 10.7434 k = 0.4298 0.4076 0.1967 ( 3966 PWs) bands (ev): -7.9778 -7.9764 -6.5302 -6.5297 -6.0755 -6.0701 -1.1869 -1.1801 1.4956 1.5091 1.8178 1.8488 2.0866 2.0899 2.4032 2.4127 3.0801 3.0841 3.1591 3.1880 3.3027 3.3127 3.3202 3.3464 4.6416 4.7294 4.8902 4.9583 4.9948 5.0215 5.0536 5.0817 5.4708 5.5144 5.6708 5.7255 5.7645 5.7801 6.0854 6.1777 6.1934 6.2074 7.0081 7.0460 7.9776 7.9776 9.2322 9.2730 10.0840 10.0858 10.8145 10.8353 k = 0.4356 0.3973 0.1803 ( 3962 PWs) bands (ev): -7.9997 -7.9983 -6.5429 -6.5423 -6.0721 -6.0671 -1.1601 -1.1538 1.5373 1.5559 1.8219 1.8580 2.0880 2.0912 2.4106 2.4193 3.0799 3.0842 3.1587 3.1887 3.2962 3.3264 3.3321 3.3524 4.6433 4.7285 4.8885 4.9508 4.9917 5.0216 5.0514 5.0766 5.4930 5.5239 5.6751 5.7361 5.7686 5.7826 6.1158 6.1912 6.2088 6.2106 7.0642 7.0994 7.8587 7.8609 9.2292 9.2638 10.1384 10.1443 10.9035 10.9242 k = 0.4415 0.3870 0.1639 ( 3968 PWs) bands (ev): -8.0197 -8.0185 -6.5545 -6.5540 -6.0692 -6.0646 -1.1364 -1.1307 1.5770 1.6009 1.8294 1.8706 2.0879 2.0909 2.4189 2.4267 3.0786 3.0830 3.1591 3.1900 3.2893 3.3234 3.3511 3.3668 4.6447 4.7262 4.8874 4.9439 4.9892 5.0217 5.0492 5.0714 5.5104 5.5291 5.6797 5.7417 5.7766 5.7854 6.1466 6.1933 6.2155 6.2363 7.1185 7.1508 7.7432 7.7466 9.2271 9.2562 10.1980 10.2077 10.9886 11.0090 k = 0.4473 0.3767 0.1475 ( 3972 PWs) bands (ev): -8.0379 -8.0368 -6.5651 -6.5647 -6.0668 -6.0626 -1.1157 -1.1106 1.6127 1.6413 1.8421 1.8877 2.0867 2.0895 2.4275 2.4345 3.0764 3.0810 3.1602 3.1918 3.2822 3.3176 3.3693 3.3827 4.6458 4.7227 4.8870 4.9375 4.9874 5.0218 5.0472 5.0661 5.5224 5.5307 5.6853 5.7437 5.7867 5.7886 6.1734 6.1946 6.2263 6.2652 7.1704 7.1998 7.6331 7.6369 9.2252 9.2495 10.2619 10.2749 11.0685 11.0886 k = 0.4532 0.3664 0.1311 ( 3976 PWs) bands (ev): -8.0543 -8.0533 -6.5747 -6.5743 -6.0647 -6.0610 -1.0978 -1.0933 1.6428 1.6739 1.8621 1.9096 2.0847 2.0873 2.4360 2.4423 3.0737 3.0783 3.1621 3.1942 3.2751 3.3110 3.3864 3.3980 4.6468 4.7182 4.8874 4.9318 4.9863 5.0218 5.0453 5.0608 5.5288 5.5292 5.6917 5.7438 5.7922 5.7966 6.1893 6.1957 6.2492 6.2945 7.2193 7.2456 7.5300 7.5337 9.2230 9.2433 10.3288 10.3446 11.1421 11.1619 k = 0.4590 0.3560 0.1147 ( 3970 PWs) bands (ev): -8.0688 -8.0679 -6.5832 -6.5829 -6.0630 -6.0597 -1.0826 -1.0786 1.6667 1.6971 1.8899 1.9359 2.0824 2.0848 2.4442 2.4497 3.0708 3.0753 3.1647 3.1971 3.2681 3.3039 3.4019 3.4120 4.6478 4.7126 4.8884 4.9267 4.9858 5.0215 5.0437 5.0559 5.5252 5.5301 5.6988 5.7434 5.7965 5.8055 6.1959 6.1966 6.2816 6.3240 7.2647 7.2876 7.4352 7.4384 9.2207 9.2374 10.3975 10.4155 11.2077 11.2277 k = 0.4649 0.3457 0.0984 ( 3968 PWs) bands (ev): -8.0813 -8.0805 -6.5907 -6.5903 -6.0615 -6.0587 -1.0698 -1.0663 1.6847 1.7117 1.9235 1.9648 2.0799 2.0821 2.4517 2.4565 3.0677 3.0721 3.1681 3.2003 3.2614 3.2965 3.4159 3.4244 4.6489 4.7062 4.8900 4.9222 4.9861 5.0207 5.0422 5.0513 5.5197 5.5274 5.7058 5.7424 5.8011 5.8128 6.1974 6.1988 6.3171 6.3529 7.3058 7.3231 7.3500 7.3546 9.2181 9.2317 10.4663 10.4859 11.2524 11.2665 k = 0.4707 0.3354 0.0820 ( 3976 PWs) bands (ev): -8.0920 -8.0913 -6.5970 -6.5967 -6.0603 -6.0579 -1.0592 -1.0564 1.6979 1.7201 1.9589 1.9941 2.0775 2.0795 2.4584 2.4624 3.0648 3.0688 3.1722 3.2034 3.2553 3.2890 3.4280 3.4350 4.6502 4.6992 4.8919 4.9181 4.9869 5.0192 5.0409 5.0472 5.5132 5.5218 5.7122 5.7412 5.8059 5.8185 6.1982 6.2002 6.3521 6.3805 7.2743 7.2748 7.3423 7.3604 9.2156 9.2264 10.5333 10.5535 11.2296 11.2341 k = 0.4766 0.3251 0.0656 ( 3974 PWs) bands (ev): -8.1007 -8.1002 -6.6022 -6.6019 -6.0594 -6.0574 -1.0507 -1.0485 1.7074 1.7247 1.9928 2.0213 2.0754 2.0772 2.4642 2.4674 3.0622 3.0657 3.1768 3.2060 3.2504 3.2815 3.4382 3.4438 4.6519 4.6920 4.8941 4.9146 4.9886 5.0169 5.0400 5.0440 5.5067 5.5149 5.7178 5.7399 5.8108 5.8227 6.1989 6.2009 6.3846 6.4059 7.2101 7.2110 7.3733 7.3875 9.2132 9.2216 10.5962 10.6158 11.1999 11.2039 k = 0.4824 0.3148 0.0492 ( 3978 PWs) bands (ev): -8.1075 -8.1071 -6.6062 -6.6060 -6.0586 -6.0571 -1.0443 -1.0426 1.7142 1.7269 2.0223 2.0441 2.0736 2.0753 2.4689 2.4713 3.0600 3.0629 3.1820 3.2072 3.2474 3.2741 3.4463 3.4505 4.6542 4.6847 4.8964 4.9114 4.9908 5.0137 5.0392 5.0417 5.5009 5.5077 5.7225 5.7384 5.8154 5.8253 6.1995 6.2012 6.4129 6.4277 7.1580 7.1594 7.3984 7.4091 9.2113 9.2174 10.6521 10.6696 11.1735 11.1775 k = 0.4883 0.3045 0.0328 ( 3982 PWs) bands (ev): -8.1123 -8.1120 -6.6091 -6.6090 -6.0580 -6.0570 -1.0396 -1.0385 1.7192 1.7274 2.0456 2.0605 2.0726 2.0741 2.4724 2.4740 3.0586 3.0606 3.1874 3.2062 3.2471 3.2670 3.4524 3.4552 4.6572 4.6778 4.8988 4.9086 4.9938 5.0098 5.0388 5.0402 5.4966 5.5015 5.7264 5.7366 5.8195 5.8265 6.2000 6.2013 6.4353 6.4445 7.1196 7.1210 7.4172 7.4243 9.2100 9.2140 10.6977 10.7112 11.1527 11.1563 k = 0.4941 0.2942 0.0164 ( 3986 PWs) bands (ev): -8.1152 -8.1150 -6.6108 -6.6107 -6.0575 -6.0570 -1.0368 -1.0362 1.7227 1.7268 2.0609 2.0681 2.0733 2.0737 2.4747 2.4755 3.0578 3.0589 3.1930 3.2030 3.2497 3.2602 3.4563 3.4577 4.6610 4.6714 4.9012 4.9060 4.9974 5.0056 5.0386 5.0392 5.4943 5.4968 5.7296 5.7346 5.8228 5.8265 6.2005 6.2011 6.4503 6.4546 7.0962 7.0970 7.4293 7.4328 9.2096 9.2115 10.7292 10.7367 11.1396 11.1418 k = 0.5000 0.2839 0.0000 ( 3974 PWs) bands (ev): -8.1161 -8.1161 -6.6113 -6.6113 -6.0572 -6.0572 -1.0356 -1.0356 1.7253 1.7253 2.0676 2.0676 2.0745 2.0745 2.4757 2.4757 3.0580 3.0580 3.1984 3.1984 3.2543 3.2543 3.4581 3.4581 4.6658 4.6658 4.9036 4.9036 5.0014 5.0014 5.0388 5.0388 5.4944 5.4944 5.7324 5.7324 5.8252 5.8252 6.2009 6.2009 6.4568 6.4568 7.0886 7.0886 7.4346 7.4346 9.2101 9.2101 10.7429 10.7429 11.1359 11.1359 k = 0.5000 0.2839 0.0000 ( 3974 PWs) bands (ev): -8.1161 -8.1161 -6.6113 -6.6113 -6.0572 -6.0572 -1.0356 -1.0356 1.7253 1.7253 2.0676 2.0676 2.0745 2.0745 2.4757 2.4757 3.0580 3.0580 3.1984 3.1984 3.2543 3.2543 3.4581 3.4581 4.6658 4.6658 4.9036 4.9036 5.0014 5.0014 5.0388 5.0388 5.4944 5.4944 5.7324 5.7324 5.8252 5.8252 6.2009 6.2009 6.4568 6.4568 7.0886 7.0886 7.4346 7.4346 9.2101 9.2101 10.7429 10.7429 11.1359 11.1359 k = 0.4821 0.2738 0.0000 ( 3978 PWs) bands (ev): -8.1168 -8.1168 -6.6106 -6.6101 -6.0572 -6.0566 -1.0364 -1.0361 1.7225 1.7231 2.0660 2.0682 2.0738 2.0751 2.4767 2.4782 3.0560 3.0591 3.1967 3.1985 3.2540 3.2543 3.4577 3.4586 4.6661 4.6690 4.9034 4.9039 4.9973 5.0052 5.0350 5.0426 5.4919 5.4925 5.7150 5.7451 5.8088 5.8458 6.2020 6.2065 6.4550 6.4569 7.0892 7.0894 7.4342 7.4352 9.2135 9.2160 10.7431 10.7434 11.1206 11.1277 k = 0.4643 0.2636 0.0000 ( 3976 PWs) bands (ev): -8.1188 -8.1188 -6.6078 -6.6068 -6.0567 -6.0554 -1.0384 -1.0379 1.7152 1.7164 2.0631 2.0677 2.0728 2.0755 2.4813 2.4843 3.0531 3.0594 3.1935 3.1971 3.2533 3.2540 3.4573 3.4591 4.6698 4.6757 4.9033 4.9043 4.9929 5.0088 5.0312 5.0466 5.4853 5.4868 5.6953 5.7453 5.8048 5.8683 6.2096 6.2185 6.4514 6.4552 7.0912 7.0917 7.4340 7.4361 9.2261 9.2310 10.7441 10.7447 11.0868 11.0991 k = 0.4464 0.2535 0.0000 ( 3979 PWs) bands (ev): -8.1221 -8.1221 -6.6031 -6.6015 -6.0555 -6.0536 -1.0418 -1.0410 1.7043 1.7059 2.0580 2.0644 2.0718 2.0757 2.4903 2.4946 3.0486 3.0582 3.1890 3.1946 3.2524 3.2534 3.4570 3.4598 4.6769 4.6854 4.9033 4.9047 4.9882 5.0121 5.0275 5.0507 5.4749 5.4779 5.6732 5.7291 5.8168 5.8921 6.2232 6.2366 6.4462 6.4518 7.0946 7.0954 7.4342 7.4372 9.2475 9.2546 10.7457 10.7468 11.0419 11.0574 k = 0.4286 0.2434 0.0000 ( 3979 PWs) bands (ev): -8.1266 -8.1266 -6.5965 -6.5944 -6.0538 -6.0513 -1.0463 -1.0453 1.6909 1.6929 2.0491 2.0561 2.0715 2.0756 2.5043 2.5097 3.0420 3.0549 3.1839 3.1918 3.2512 3.2526 3.4569 3.4604 4.6871 4.6980 4.9033 4.9054 4.9833 5.0148 5.0244 5.0551 5.4615 5.4668 5.6488 5.7046 5.8370 5.9173 6.2424 6.2603 6.4394 6.4468 7.0995 7.1004 7.4346 7.4386 9.2769 9.2860 10.7478 10.7495 10.9913 11.0084 k = 0.4107 0.2332 0.0000 ( 3977 PWs) bands (ev): -8.1323 -8.1322 -6.5882 -6.5856 -6.0515 -6.0484 -1.0520 -1.0508 1.6763 1.6785 2.0351 2.0420 2.0717 2.0755 2.5234 2.5297 3.0326 3.0485 3.1791 3.1891 3.2500 3.2517 3.4568 3.4611 4.7002 4.7130 4.9033 4.9062 4.9783 5.0153 5.0237 5.0598 5.4460 5.4541 5.6221 5.6761 5.8609 5.9436 6.2665 6.2888 6.4314 6.4404 7.1057 7.1068 7.4352 7.4400 9.3133 9.3239 10.7502 10.7528 10.9383 10.9561 k = 0.3929 0.2231 0.0000 ( 3979 PWs) bands (ev): -8.1390 -8.1389 -6.5783 -6.5753 -6.0487 -6.0450 -1.0589 -1.0575 1.6613 1.6639 2.0153 2.0220 2.0721 2.0756 2.5474 2.5544 3.0197 3.0381 3.1753 3.1871 3.2487 3.2507 3.4568 3.4618 4.7156 4.7298 4.9033 4.9071 4.9735 5.0127 5.0261 5.0647 5.4290 5.4404 5.5934 5.6453 5.8874 5.9711 6.2946 6.3208 6.4225 6.4330 7.1133 7.1145 7.4361 7.4417 9.3551 9.3670 10.7522 10.7565 10.8857 10.9030 k = 0.3750 0.2129 0.0000 ( 3971 PWs) bands (ev): -8.1466 -8.1465 -6.5670 -6.5635 -6.0453 -6.0410 -1.0668 -1.0652 1.6471 1.6498 1.9901 1.9964 2.0727 2.0759 2.5753 2.5828 3.0034 3.0235 3.1731 3.1862 3.2474 3.2497 3.4569 3.4626 4.7329 4.7480 4.9035 4.9083 4.9690 5.0091 5.0300 5.0701 5.4111 5.4264 5.5631 5.6130 5.9160 5.9998 6.3249 6.3539 6.4149 6.4256 7.1223 7.1236 7.4372 7.4434 9.4007 9.4133 10.7518 10.7603 10.8372 10.8513 k = 0.3571 0.2028 0.0000 ( 3965 PWs) bands (ev): -8.1549 -8.1549 -6.5545 -6.5506 -6.0413 -6.0366 -1.0757 -1.0740 1.6342 1.6370 1.9600 1.9659 2.0734 2.0764 2.6057 2.6137 2.9840 3.0051 3.1726 3.1863 3.2462 3.2487 3.4571 3.4633 4.7517 4.7668 4.9035 4.9096 4.9651 5.0055 5.0346 5.0757 5.3927 5.4123 5.5317 5.5799 5.9463 6.0298 6.3539 6.3766 6.4191 6.4211 7.1327 7.1341 7.4386 7.4453 9.4480 9.4607 10.7415 10.7620 10.8017 10.8049 k = 0.3393 0.1927 0.0000 ( 3959 PWs) bands (ev): -8.1640 -8.1639 -6.5410 -6.5367 -6.0368 -6.0316 -1.0854 -1.0836 1.6233 1.6261 1.9260 1.9315 2.0742 2.0771 2.6369 2.6453 2.9626 2.9840 3.1734 3.1873 3.2449 3.2477 3.4574 3.4641 4.7714 4.7856 4.9036 4.9109 4.9624 5.0020 5.0396 5.0817 5.3740 5.3982 5.4999 5.5468 5.9784 6.0612 6.3703 6.3740 6.4303 6.4497 7.1445 7.1460 7.4401 7.4471 9.4944 9.5066 10.7128 10.7462 10.7813 10.7896 k = 0.3214 0.1825 0.0000 ( 3959 PWs) bands (ev): -8.1735 -8.1734 -6.5268 -6.5221 -6.0318 -6.0262 -1.0959 -1.0940 1.6145 1.6172 1.8892 1.8942 2.0750 2.0778 2.6663 2.6749 2.9412 2.9622 3.1752 3.1888 3.2436 3.2465 3.4578 3.4649 4.7914 4.8035 4.9038 4.9121 4.9613 4.9988 5.0453 5.0880 5.3552 5.3841 5.4685 5.5143 6.0121 6.0941 6.3623 6.3679 6.4587 6.4900 7.1578 7.1592 7.4417 7.4490 9.5369 9.5479 10.6785 10.7129 10.7824 10.7900 k = 0.3036 0.1724 0.0000 ( 3957 PWs) bands (ev): -8.1833 -8.1833 -6.5120 -6.5071 -6.0263 -6.0203 -1.1071 -1.1051 1.6082 1.6107 1.8506 1.8550 2.0759 2.0787 2.6905 2.6984 2.9234 2.9431 3.1775 3.1908 3.2424 3.2454 3.4583 3.4657 4.8110 4.8198 4.9040 4.9131 4.9624 4.9960 5.0515 5.0947 5.3362 5.3696 5.4383 5.4832 6.0471 6.1284 6.3485 6.3572 6.4953 6.5325 7.1725 7.1738 7.4434 7.4508 9.5724 9.5814 10.6498 10.6857 10.7873 10.7942 k = 0.2857 0.1622 0.0000 ( 3955 PWs) bands (ev): -8.1934 -8.1934 -6.4969 -6.4917 -6.0204 -6.0141 -1.1188 -1.1168 1.6042 1.6064 1.8113 1.8151 2.0769 2.0796 2.7041 2.7100 2.9149 2.9317 3.1800 3.1929 3.2412 3.2442 3.4589 3.4665 4.8299 4.8338 4.9043 4.9138 4.9662 4.9938 5.0583 5.1016 5.3171 5.3541 5.4108 5.4541 6.0833 6.1641 6.3339 6.3437 6.5344 6.5758 7.1886 7.1897 7.4453 7.4526 9.5974 9.6038 10.6310 10.6697 10.7930 10.7999 k = 0.2679 0.1521 0.0000 ( 3947 PWs) bands (ev): -8.2035 -8.2035 -6.4818 -6.4764 -6.0141 -6.0075 -1.1308 -1.1288 1.6023 1.6039 1.7727 1.7756 2.0778 2.0806 2.7021 2.7044 2.9204 2.9327 3.1827 3.1950 3.2401 3.2431 3.4596 3.4672 4.8450 4.8473 4.9048 4.9142 4.9726 4.9921 5.0658 5.1089 5.2979 5.3364 5.3875 5.4275 6.1203 6.2010 6.3192 6.3290 6.5741 6.6190 7.2059 7.2069 7.4472 7.4543 9.6093 9.6126 10.6247 10.6673 10.7989 10.8065 k = 0.2500 0.1420 0.0000 ( 3951 PWs) bands (ev): -8.2136 -8.2136 -6.4667 -6.4612 -6.0074 -6.0007 -1.1431 -1.1411 1.6014 1.6018 1.7369 1.7385 2.0787 2.0816 2.6827 2.6839 2.9388 2.9467 3.1852 3.1969 3.2391 3.2420 3.4603 3.4679 4.8534 4.8628 4.9055 4.9144 4.9810 4.9909 5.0740 5.1164 5.2785 5.3159 5.3695 5.4038 6.1572 6.2383 6.3051 6.3140 6.6139 6.6618 7.2243 7.2249 7.4491 7.4559 9.6065 9.6066 10.6317 10.6791 10.8050 10.8139 k = 0.2321 0.1318 0.0000 ( 3951 PWs) bands (ev): -8.2235 -8.2235 -6.4520 -6.4465 -6.0004 -5.9937 -1.1555 -1.1535 1.5971 1.5986 1.7072 1.7076 2.0797 2.0826 2.6498 2.6535 2.9649 2.9695 3.1876 3.1986 3.2382 3.2409 3.4611 3.4686 4.8593 4.8761 4.9065 4.9147 4.9902 4.9907 5.0828 5.1242 5.2592 5.2935 5.3561 5.3834 6.1924 6.2732 6.2935 6.3017 6.6535 6.7041 7.2434 7.2436 7.4511 7.4575 9.5860 9.5893 10.6510 10.7039 10.8113 10.8222 k = 0.2143 0.1217 0.0000 ( 3947 PWs) bands (ev): -8.2332 -8.2332 -6.4378 -6.4323 -5.9932 -5.9866 -1.1677 -1.1658 1.5847 1.5885 1.6877 1.6906 2.0806 2.0837 2.6100 2.6152 2.9945 2.9969 3.1897 3.2001 3.2373 3.2398 3.4619 3.4692 4.8633 4.8869 4.9077 4.9152 4.9899 5.0006 5.0922 5.1321 5.2401 5.2711 5.3461 5.3661 6.2201 6.2772 6.2897 6.3200 6.6932 6.7459 7.2624 7.2627 7.4531 7.4589 9.5530 9.5591 10.6798 10.7392 10.8182 10.8322 k = 0.1964 0.1115 0.0000 ( 3949 PWs) bands (ev): -8.2424 -8.2424 -6.4242 -6.4188 -5.9860 -5.9794 -1.1797 -1.1779 1.5623 1.5674 1.6842 1.6885 2.0814 2.0847 2.5660 2.5720 3.0249 3.0258 3.1916 3.2013 3.2365 3.2388 3.4628 3.4698 4.8661 4.8950 4.9094 4.9158 4.9900 5.0099 5.1019 5.1401 5.2216 5.2497 5.3383 5.3520 6.2295 6.2631 6.3042 6.3557 6.7334 6.7873 7.2807 7.2817 7.4551 7.4602 9.5100 9.5184 10.7141 10.7797 10.8281 10.8450 k = 0.1786 0.1014 0.0000 ( 3951 PWs) bands (ev): -8.2511 -8.2511 -6.4114 -6.4062 -5.9787 -5.9724 -1.1912 -1.1896 1.5341 1.5392 1.6930 1.6976 2.0822 2.0857 2.5191 2.5255 3.0545 3.0545 3.1933 3.2022 3.2359 3.2379 3.4636 3.4703 4.8680 4.9005 4.9115 4.9167 4.9903 5.0179 5.1117 5.1478 5.2041 5.2301 5.3323 5.3408 6.2237 6.2482 6.3334 6.3909 6.7745 6.8287 7.2979 7.2996 7.4570 7.4613 9.4599 9.4702 10.7483 10.8101 10.8531 10.8632 k = 0.1607 0.0913 0.0000 ( 3959 PWs) bands (ev): -8.2593 -8.2593 -6.3995 -6.3946 -5.9715 -5.9656 -1.2022 -1.2007 1.5042 1.5090 1.7095 1.7139 2.0828 2.0867 2.4703 2.4770 3.0819 3.0827 3.1947 3.2028 3.2354 3.2370 3.4645 3.4707 4.8694 4.9037 4.9139 4.9176 4.9909 5.0243 5.1210 5.1551 5.1880 5.2127 5.3277 5.3322 6.2133 6.2336 6.3663 6.4236 6.8170 6.8704 7.3134 7.3157 7.4588 7.4623 9.4054 9.4170 10.7765 10.8217 10.8899 10.8993 k = 0.1429 0.0811 0.0000 ( 3953 PWs) bands (ev): -8.2668 -8.2668 -6.3887 -6.3841 -5.9646 -5.9591 -1.2125 -1.2111 1.4752 1.4796 1.7313 1.7353 2.0834 2.0876 2.4203 2.4273 3.1074 3.1087 3.1960 3.2033 3.2351 3.2363 3.4654 3.4711 4.8707 4.9053 4.9161 4.9186 4.9917 5.0291 5.1295 5.1608 5.1745 5.1979 5.3244 5.3260 6.2022 6.2197 6.3985 6.4531 6.8614 6.9127 7.3264 7.3292 7.4604 7.4631 9.3491 9.3616 10.7962 10.8275 10.9255 10.9510 k = 0.1250 0.0710 0.0000 ( 3961 PWs) bands (ev): -8.2736 -8.2736 -6.3789 -6.3747 -5.9581 -5.9530 -1.2220 -1.2207 1.4482 1.4521 1.7571 1.7607 2.0837 2.0885 2.3695 2.3769 3.1304 3.1322 3.1971 3.2035 3.2349 3.2357 3.4662 3.4713 4.8719 4.9057 4.9178 4.9195 4.9929 5.0321 5.1363 5.1571 5.1713 5.1861 5.3217 5.3221 6.1915 6.2068 6.4286 6.4786 6.9076 6.9556 7.3362 7.3393 7.4618 7.4637 9.2932 9.3061 10.8092 10.8316 10.9660 11.0019 k = 0.1071 0.0608 0.0000 ( 3965 PWs) bands (ev): -8.2796 -8.2796 -6.3703 -6.3666 -5.9520 -5.9475 -1.2304 -1.2293 1.4240 1.4273 1.7864 1.7896 2.0838 2.0893 2.3185 2.3263 3.1507 3.1528 3.1980 3.2035 3.2349 3.2353 3.4671 3.4716 4.8733 4.9049 4.9192 4.9204 4.9947 5.0334 5.1402 5.1470 5.1757 5.1783 5.3191 5.3206 6.1819 6.1950 6.4556 6.4999 6.9552 6.9988 7.3422 7.3452 7.4629 7.4641 9.2400 9.2526 10.8181 10.8348 11.0073 11.0491 k = 0.0893 0.0507 0.0000 ( 3959 PWs) bands (ev): -8.2847 -8.2847 -6.3629 -6.3597 -5.9465 -5.9427 -1.2377 -1.2368 1.4029 1.4057 1.8188 1.8215 2.0834 2.0901 2.2677 2.2763 3.1680 3.1703 3.1988 3.2034 3.2351 3.2352 3.4679 3.4717 4.8749 4.9033 4.9204 4.9213 4.9970 5.0333 5.1380 5.1400 5.1756 5.1800 5.3177 5.3198 6.1735 6.1845 6.4792 6.5169 7.0034 7.0419 7.3440 7.3464 7.4636 7.4643 9.1913 9.2031 10.8246 10.8373 11.0465 11.0904 k = 0.0714 0.0406 0.0000 ( 3963 PWs) bands (ev): -8.2890 -8.2890 -6.3567 -6.3541 -5.9418 -5.9387 -1.2438 -1.2431 1.3854 1.3877 1.8541 1.8562 2.0823 2.0907 2.2174 2.2273 3.1821 3.1845 3.1995 3.2032 3.2351 3.2356 3.4686 3.4717 4.8768 4.9008 4.9214 4.9220 5.0000 5.0318 5.1310 5.1366 5.1768 5.1833 5.3173 5.3194 6.1666 6.1755 6.4992 6.5297 7.0510 7.0838 7.3412 7.3424 7.4640 7.4643 9.1490 9.1593 10.8296 10.8391 11.0818 11.1239 k = 0.0536 0.0304 0.0000 ( 3955 PWs) bands (ev): -8.2924 -8.2924 -6.3518 -6.3498 -5.9379 -5.9355 -1.2487 -1.2481 1.3716 1.3733 1.8918 1.8931 2.0795 2.0910 2.1685 2.1808 3.1930 3.1952 3.2002 3.2029 3.2355 3.2363 3.4693 3.4716 4.8791 4.8978 4.9222 4.9226 5.0036 5.0292 5.1260 5.1320 5.1797 5.1858 5.3174 5.3193 6.1614 6.1681 6.5155 6.5385 7.0965 7.1231 7.3334 7.3338 7.4641 7.4643 9.1146 9.1230 10.8334 10.8402 11.1120 11.1484 k = 0.0357 0.0203 0.0000 ( 3949 PWs) bands (ev): -8.2948 -8.2948 -6.3482 -6.3468 -5.9350 -5.9334 -1.2521 -1.2518 1.3617 1.3629 1.9315 1.9318 2.0721 2.0890 2.1234 2.1402 3.2001 3.2013 3.2022 3.2029 3.2362 3.2371 3.4699 3.4715 4.8816 4.8944 4.9228 4.9230 5.0078 5.0257 5.1230 5.1277 5.1827 5.1871 5.3178 5.3192 6.1579 6.1625 6.5281 6.5435 7.1374 7.1572 7.3207 7.3227 7.4642 7.4642 9.0895 9.0954 10.8363 10.8407 11.1365 11.1633 k = 0.0179 0.0101 0.0000 ( 3941 PWs) bands (ev): -8.2962 -8.2962 -6.3459 -6.3452 -5.9330 -5.9322 -1.2542 -1.2540 1.3559 1.3565 1.9709 1.9722 2.0530 2.0659 2.1022 2.1137 3.2012 3.2021 3.2054 3.2064 3.2370 3.2376 3.4704 3.4712 4.8845 4.8911 4.9231 4.9233 5.0123 5.0215 5.1219 5.1245 5.1852 5.1875 5.3183 5.3190 6.1563 6.1585 6.5372 6.5449 7.1699 7.1812 7.3082 7.3105 7.4641 7.4642 9.0747 9.0777 10.8384 10.8406 11.1546 11.1688 k = 0.0000 0.0000 0.0000 ( 3935 PWs) bands (ev): -8.2967 -8.2967 -6.3449 -6.3449 -5.9321 -5.9321 -1.2548 -1.2548 1.3541 1.3541 1.9998 1.9998 2.0339 2.0339 2.1035 2.1035 3.2017 3.2017 3.2073 3.2073 3.2376 3.2376 3.4709 3.4709 4.8877 4.8877 4.9234 4.9234 5.0170 5.0170 5.1224 5.1224 5.1868 5.1868 5.3187 5.3187 6.1565 6.1565 6.5428 6.5428 7.1868 7.1868 7.3035 7.3035 7.4641 7.4641 9.0707 9.0707 10.8399 10.8399 11.1656 11.1656 k = 0.0000 0.0000 0.0000 ( 3935 PWs) bands (ev): -8.2967 -8.2967 -6.3449 -6.3449 -5.9321 -5.9321 -1.2548 -1.2548 1.3541 1.3541 1.9998 1.9998 2.0339 2.0339 2.1035 2.1035 3.2017 3.2017 3.2073 3.2073 3.2376 3.2376 3.4709 3.4709 4.8877 4.8877 4.9234 4.9234 5.0170 5.0170 5.1224 5.1224 5.1868 5.1868 5.3187 5.3187 6.1565 6.1565 6.5428 6.5428 7.1868 7.1868 7.3035 7.3035 7.4641 7.4641 9.0707 9.0707 10.8399 10.8399 11.1656 11.1656 k = 0.0082-0.0144 0.0120 ( 3939 PWs) bands (ev): -8.2961 -8.2961 -6.3455 -6.3455 -5.9325 -5.9325 -1.2548 -1.2548 1.3491 1.3491 2.0054 2.0054 2.0357 2.0358 2.1041 2.1041 3.2005 3.2006 3.2072 3.2074 3.2373 3.2373 3.4705 3.4706 4.8867 4.8868 4.9236 4.9237 5.0164 5.0164 5.1230 5.1231 5.1866 5.1867 5.3212 5.3213 6.1574 6.1574 6.5390 6.5390 7.1844 7.1844 7.3060 7.3060 7.4621 7.4621 9.0739 9.0739 10.8422 10.8422 11.1678 11.1678 k = 0.0164-0.0288 0.0240 ( 3949 PWs) bands (ev): -8.2943 -8.2943 -6.3475 -6.3475 -5.9336 -5.9336 -1.2546 -1.2546 1.3346 1.3346 2.0211 2.0213 2.0412 2.0414 2.1058 2.1059 3.1968 3.1969 3.2073 3.2075 3.2365 3.2365 3.4696 3.4696 4.8840 4.8841 4.9244 4.9245 5.0146 5.0147 5.1248 5.1251 5.1863 5.1864 5.3285 5.3287 6.1600 6.1600 6.5279 6.5279 7.1775 7.1775 7.3131 7.3131 7.4561 7.4561 9.0834 9.0834 10.8490 10.8490 11.1743 11.1743 k = 0.0246-0.0433 0.0360 ( 3951 PWs) bands (ev): -8.2914 -8.2914 -6.3508 -6.3508 -5.9355 -5.9355 -1.2543 -1.2543 1.3121 1.3121 2.0416 2.0419 2.0538 2.0542 2.1094 2.1094 3.1903 3.1904 3.2074 3.2076 3.2359 3.2359 3.4680 3.4680 4.8798 4.8800 4.9257 4.9259 5.0120 5.0122 5.1276 5.1281 5.1860 5.1862 5.3405 5.3407 6.1644 6.1645 6.5102 6.5102 7.1660 7.1660 7.3243 7.3243 7.4462 7.4462 9.0989 9.0990 10.8603 10.8603 11.1851 11.1851 k = 0.0328-0.0577 0.0479 ( 3939 PWs) bands (ev): -8.2872 -8.2872 -6.3554 -6.3554 -5.9381 -5.9381 -1.2539 -1.2539 1.2834 1.2834 2.0549 2.0550 2.0825 2.0827 2.1162 2.1162 3.1805 3.1806 3.2077 3.2078 3.2356 3.2357 3.4658 3.4658 4.8746 4.8748 4.9272 4.9274 5.0088 5.0090 5.1310 5.1315 5.1862 5.1865 5.3568 5.3571 6.1707 6.1707 6.4868 6.4868 7.1502 7.1502 7.3383 7.3383 7.4329 7.4330 9.1204 9.1204 10.8757 10.8757 11.2000 11.2000 k = 0.0409-0.0721 0.0599 ( 3947 PWs) bands (ev): -8.2819 -8.2819 -6.3612 -6.3612 -5.9415 -5.9415 -1.2532 -1.2532 1.2504 1.2504 2.0656 2.0657 2.1130 2.1130 2.1333 2.1334 3.1672 3.1673 3.2079 3.2080 3.2361 3.2361 3.4630 3.4630 4.8684 4.8686 4.9289 4.9291 5.0050 5.0052 5.1343 5.1348 5.1874 5.1877 5.3770 5.3773 6.1786 6.1786 6.4589 6.4590 7.1301 7.1301 7.3533 7.3534 7.4172 7.4172 9.1474 9.1474 10.8951 10.8951 11.2187 11.2187 k = 0.0491-0.0865 0.0719 ( 3943 PWs) bands (ev): -8.2755 -8.2755 -6.3683 -6.3683 -5.9456 -5.9456 -1.2523 -1.2523 1.2146 1.2146 2.0747 2.0748 2.1323 2.1323 2.1711 2.1712 3.1506 3.1506 3.2081 3.2082 3.2373 3.2373 3.4596 3.4596 4.8617 4.8620 4.9306 4.9309 5.0010 5.0014 5.1369 5.1375 5.1899 5.1903 5.4009 5.4012 6.1881 6.1881 6.4276 6.4276 7.1061 7.1061 7.3642 7.3643 7.4035 7.4035 9.1794 9.1794 10.9180 10.9180 11.2410 11.2411 k = 0.0573-0.1009 0.0839 ( 3943 PWs) bands (ev): -8.2680 -8.2680 -6.3764 -6.3764 -5.9505 -5.9505 -1.2511 -1.2511 1.1773 1.1773 2.0818 2.0818 2.1526 2.1527 2.2165 2.2166 3.1307 3.1307 3.2083 3.2084 3.2391 3.2391 3.4557 3.4557 4.8547 4.8550 4.9323 4.9326 4.9972 4.9975 5.1384 5.1390 5.1942 5.1945 5.4282 5.4284 6.1992 6.1992 6.3940 6.3940 7.0785 7.0785 7.3565 7.3566 7.4056 7.4057 9.2158 9.2158 10.9439 10.9439 11.2666 11.2666 k = 0.0655-0.1154 0.0959 ( 3955 PWs) bands (ev): -8.2594 -8.2594 -6.3857 -6.3857 -5.9561 -5.9561 -1.2495 -1.2495 1.1393 1.1393 2.0871 2.0871 2.1773 2.1773 2.2646 2.2647 3.1076 3.1077 3.2085 3.2085 3.2415 3.2415 3.4512 3.4512 4.8475 4.8478 4.9339 4.9342 4.9936 4.9940 5.1385 5.1390 5.1999 5.2003 5.4585 5.4588 6.2116 6.2116 6.3590 6.3590 7.0474 7.0474 7.3334 7.3334 7.4199 7.4199 9.2560 9.2560 10.9725 10.9725 11.2948 11.2948 k = 0.0737-0.1298 0.1079 ( 3959 PWs) bands (ev): -8.2499 -8.2499 -6.3959 -6.3959 -5.9625 -5.9625 -1.2475 -1.2475 1.1015 1.1015 2.0913 2.0914 2.2059 2.2059 2.3141 2.3142 3.0816 3.0817 3.2086 3.2087 3.2444 3.2444 3.4463 3.4463 4.8404 4.8408 4.9353 4.9356 4.9907 4.9911 5.1374 5.1379 5.2071 5.2074 5.4918 5.4921 6.2246 6.2246 6.3241 6.3241 7.0134 7.0134 7.3048 7.3049 7.4362 7.4363 9.2992 9.2992 11.0032 11.0032 11.3246 11.3246 k = 0.0819-0.1442 0.1199 ( 3955 PWs) bands (ev): -8.2393 -8.2393 -6.4070 -6.4070 -5.9696 -5.9696 -1.2450 -1.2450 1.0644 1.0644 2.0949 2.0950 2.2378 2.2379 2.3642 2.3643 3.0529 3.0529 3.2087 3.2088 3.2478 3.2479 3.4410 3.4410 4.8335 4.8339 4.9364 4.9367 4.9885 4.9889 5.1355 5.1360 5.2153 5.2156 5.5278 5.5280 6.2352 6.2352 6.2927 6.2928 6.9767 6.9767 7.2732 7.2732 7.4521 7.4521 9.3444 9.3444 11.0353 11.0353 11.3517 11.3517 k = 0.0901-0.1586 0.1318 ( 3951 PWs) bands (ev): -8.2279 -8.2279 -6.4190 -6.4190 -5.9775 -5.9775 -1.2419 -1.2419 1.0284 1.0284 2.0982 2.0982 2.2725 2.2726 2.4143 2.4144 3.0216 3.0216 3.2089 3.2089 3.2517 3.2518 3.4353 3.4353 4.8269 4.8273 4.9373 4.9375 4.9873 4.9877 5.1328 5.1333 5.2240 5.2243 5.5664 5.5665 6.2287 6.2288 6.2801 6.2801 6.9379 6.9379 7.2393 7.2393 7.4665 7.4665 9.3907 9.3907 11.0684 11.0684 11.3617 11.3617 k = 0.0983-0.1730 0.1438 ( 3949 PWs) bands (ev): -8.2156 -8.2156 -6.4316 -6.4316 -5.9860 -5.9860 -1.2382 -1.2381 0.9940 0.9940 2.1013 2.1013 2.3094 2.3095 2.4641 2.4642 2.9880 2.9880 3.2091 3.2091 3.2560 3.2561 3.4292 3.4293 4.8208 4.8212 4.9377 4.9380 4.9870 4.9874 5.1296 5.1301 5.2331 5.2334 5.6071 5.6072 6.2003 6.2003 6.2914 6.2915 6.8973 6.8973 7.2036 7.2037 7.4793 7.4793 9.4371 9.4371 11.1018 11.1018 11.3596 11.3596 k = 0.1064-0.1874 0.1558 ( 3941 PWs) bands (ev): -8.2026 -8.2026 -6.4448 -6.4448 -5.9953 -5.9953 -1.2337 -1.2337 0.9614 0.9614 2.1042 2.1042 2.3480 2.3481 2.5132 2.5133 2.9523 2.9523 3.2093 3.2093 3.2606 3.2607 3.4229 3.4230 4.8151 4.8156 4.9379 4.9381 4.9876 4.9879 5.1261 5.1265 5.2424 5.2426 5.6498 5.6499 6.1666 6.1666 6.3103 6.3103 6.8553 6.8553 7.1665 7.1665 7.4901 7.4901 9.4825 9.4825 11.1349 11.1350 11.3584 11.3584 k = 0.1146-0.2019 0.1678 ( 3947 PWs) bands (ev): -8.1888 -8.1888 -6.4584 -6.4584 -6.0053 -6.0053 -1.2286 -1.2286 0.9308 0.9308 2.1071 2.1071 2.3877 2.3878 2.5612 2.5613 2.9151 2.9151 3.2095 3.2095 3.2655 3.2656 3.4164 3.4165 4.8101 4.8105 4.9379 4.9380 4.9889 4.9892 5.1223 5.1227 5.2517 5.2518 5.6940 5.6941 6.1325 6.1325 6.3318 6.3318 6.8125 6.8125 7.1283 7.1283 7.4987 7.4987 9.5258 9.5258 11.1672 11.1672 11.3614 11.3614 k = 0.1228-0.2163 0.1798 ( 3947 PWs) bands (ev): -8.1745 -8.1745 -6.4724 -6.4724 -6.0159 -6.0159 -1.2226 -1.2226 0.9024 0.9024 2.1099 2.1099 2.4277 2.4278 2.6079 2.6080 2.8770 2.8770 3.2097 3.2098 3.2707 3.2708 3.4097 3.4098 4.8057 4.8061 4.9378 4.9379 4.9908 4.9911 5.1183 5.1188 5.2608 5.2609 5.7395 5.7395 6.0991 6.0992 6.3553 6.3553 6.7694 6.7694 7.0892 7.0892 7.5051 7.5051 9.5662 9.5662 11.1981 11.1981 11.3696 11.3696 k = 0.1310-0.2307 0.1918 ( 3949 PWs) bands (ev): -8.1598 -8.1598 -6.4865 -6.4865 -6.0273 -6.0273 -1.2159 -1.2159 0.8765 0.8765 2.1126 2.1126 2.4668 2.4669 2.6530 2.6531 2.8391 2.8391 3.2101 3.2101 3.2761 3.2762 3.4028 3.4029 4.8020 4.8024 4.9378 4.9379 4.9932 4.9934 5.1142 5.1147 5.2697 5.2698 5.7854 5.7855 6.0668 6.0669 6.3802 6.3803 6.7267 6.7267 7.0497 7.0497 7.5092 7.5092 9.6026 9.6026 11.2271 11.2271 11.3837 11.3837 k = 0.1392-0.2451 0.2038 ( 3955 PWs) bands (ev): -8.1446 -8.1446 -6.5005 -6.5005 -6.0393 -6.0393 -1.2083 -1.2083 0.8531 0.8531 2.1152 2.1153 2.5029 2.5030 2.6961 2.6964 2.8034 2.8036 3.2106 3.2106 3.2817 3.2818 3.3958 3.3960 4.7991 4.7995 4.9380 4.9381 4.9959 4.9961 5.1101 5.1106 5.2782 5.2784 5.8311 5.8312 6.0361 6.0363 6.4064 6.4064 6.6852 6.6852 7.0098 7.0098 7.5109 7.5109 9.6343 9.6343 11.2537 11.2537 11.4037 11.4037 k = 0.1474-0.2595 0.2157 ( 3943 PWs) bands (ev): -8.1292 -8.1292 -6.5144 -6.5144 -6.0519 -6.0519 -1.1999 -1.1999 0.8324 0.8324 2.1178 2.1178 2.5319 2.5320 2.7357 2.7363 2.7752 2.7757 3.2112 3.2112 3.2876 3.2877 3.3889 3.3890 4.7971 4.7975 4.9384 4.9385 4.9989 4.9991 5.1061 5.1066 5.2863 5.2864 5.8755 5.8757 6.0074 6.0077 6.4337 6.4337 6.6460 6.6461 6.9700 6.9700 7.5103 7.5103 9.6609 9.6609 11.2772 11.2772 11.4297 11.4297 k = 0.1556-0.2740 0.2277 ( 3947 PWs) bands (ev): -8.1136 -8.1136 -6.5280 -6.5280 -6.0652 -6.0652 -1.1907 -1.1907 0.8145 0.8145 2.1202 2.1202 2.5467 2.5468 2.7514 2.7520 2.7824 2.7830 3.2119 3.2120 3.2935 3.2936 3.3820 3.3821 4.7958 4.7962 4.9391 4.9392 5.0019 5.0021 5.1022 5.1027 5.2937 5.2939 5.9161 5.9166 5.9819 5.9824 6.4617 6.4617 6.6106 6.6106 6.9303 6.9304 7.5073 7.5074 9.6818 9.6819 11.2969 11.2969 11.4609 11.4609 k = 0.1638-0.2884 0.2397 ( 3951 PWs) bands (ev): -8.0981 -8.0981 -6.5409 -6.5409 -6.0790 -6.0790 -1.1807 -1.1807 0.7993 0.7993 2.1225 2.1225 2.5401 2.5401 2.7571 2.7573 2.8179 2.8181 3.2129 3.2129 3.2994 3.2996 3.3751 3.3752 4.7953 4.7958 4.9400 4.9401 5.0050 5.0052 5.0983 5.0988 5.3003 5.3005 5.9390 5.9401 5.9718 5.9729 6.4895 6.4896 6.5813 6.5814 6.8911 6.8911 7.5020 7.5020 9.6971 9.6971 11.3113 11.3113 11.4465 11.4466 k = 0.1719-0.3028 0.2517 ( 3957 PWs) bands (ev): -8.0828 -8.0828 -6.5532 -6.5532 -6.0934 -6.0934 -1.1699 -1.1699 0.7871 0.7871 2.1246 2.1246 2.5140 2.5140 2.7790 2.7791 2.8529 2.8530 3.2141 3.2141 3.3055 3.3056 3.3683 3.3684 4.7957 4.7962 4.9411 4.9413 5.0082 5.0083 5.0945 5.0950 5.3061 5.3062 5.9252 5.9257 5.9957 5.9962 6.5137 6.5139 6.5636 6.5638 6.8525 6.8525 7.4944 7.4944 9.7067 9.7067 11.3128 11.3129 11.3839 11.3840 k = 0.1801-0.3172 0.2637 ( 3951 PWs) bands (ev): -8.0677 -8.0677 -6.5645 -6.5645 -6.1083 -6.1083 -1.1584 -1.1584 0.7779 0.7779 2.1266 2.1266 2.4763 2.4763 2.8106 2.8107 2.8859 2.8860 3.2155 3.2156 3.3115 3.3117 3.3617 3.3618 4.7970 4.7974 4.9426 4.9428 5.0113 5.0114 5.0909 5.0915 5.3107 5.3109 5.9063 5.9066 6.0184 6.0186 6.5237 6.5240 6.5704 6.5707 6.8148 6.8148 7.4845 7.4845 9.7109 9.7109 11.2697 11.2697 11.3566 11.3566 k = 0.1883-0.3316 0.2757 ( 3947 PWs) bands (ev): -8.0531 -8.0531 -6.5746 -6.5746 -6.1237 -6.1237 -1.1462 -1.1462 0.7716 0.7716 2.1283 2.1283 2.4327 2.4327 2.8465 2.8466 2.9166 2.9166 3.2173 3.2173 3.3174 3.3177 3.3553 3.3555 4.7990 4.7995 4.9444 4.9445 5.0144 5.0145 5.0875 5.0881 5.3139 5.3141 5.8893 5.8895 6.0311 6.0312 6.5269 6.5272 6.5964 6.5967 6.7781 6.7783 7.4724 7.4724 9.7098 9.7098 11.1941 11.1941 11.3548 11.3548 k = 0.1965-0.3461 0.2877 ( 3937 PWs) bands (ev): -8.0392 -8.0392 -6.5834 -6.5834 -6.1396 -6.1396 -1.1334 -1.1334 0.7683 0.7683 2.1297 2.1297 2.3861 2.3861 2.8837 2.8838 2.9448 2.9449 3.2193 3.2194 3.3231 3.3233 3.3494 3.3496 4.8019 4.8023 4.9463 4.9464 5.0174 5.0175 5.0844 5.0850 5.3156 5.3158 5.8752 5.8753 6.0323 6.0323 6.5379 6.5382 6.6270 6.6273 6.7431 6.7433 7.4581 7.4581 9.7039 9.7039 11.1122 11.1122 11.3541 11.3541 k = 0.2047-0.3605 0.2996 ( 3941 PWs) bands (ev): -8.0260 -8.0260 -6.5907 -6.5907 -6.1558 -6.1558 -1.1201 -1.1201 0.7680 0.7680 2.1309 2.1309 2.3381 2.3381 2.9205 2.9206 2.9708 2.9708 3.2216 3.2217 3.3277 3.3280 3.3446 3.3449 4.8053 4.8057 4.9483 4.9484 5.0202 5.0203 5.0813 5.0819 5.3155 5.3157 5.8646 5.8647 6.0227 6.0227 6.5585 6.5588 6.6577 6.6584 6.7111 6.7116 7.4418 7.4418 9.6936 9.6936 11.0292 11.0292 11.3508 11.3508 k = 0.2129-0.3749 0.3116 ( 3947 PWs) bands (ev): -8.0138 -8.0138 -6.5963 -6.5963 -6.1725 -6.1725 -1.1065 -1.1065 0.7708 0.7708 2.1317 2.1317 2.2895 2.2895 2.9557 2.9558 2.9946 2.9948 3.2242 3.2243 3.3294 3.3296 3.3430 3.3433 4.8093 4.8097 4.9504 4.9505 5.0229 5.0230 5.0785 5.0790 5.3133 5.3134 5.8577 5.8577 6.0045 6.0046 6.5857 6.5861 6.6693 6.6706 6.7019 6.7029 7.4235 7.4235 9.6792 9.6792 10.9468 10.9468 11.3445 11.3445 k = 0.2211-0.3893 0.3236 ( 3947 PWs) bands (ev): -8.0027 -8.0027 -6.5999 -6.5999 -6.1895 -6.1895 -1.0925 -1.0925 0.7766 0.7766 2.1319 2.1319 2.2412 2.2413 2.9879 2.9881 3.0172 3.0175 3.2270 3.2271 3.3268 3.3269 3.3461 3.3462 4.8139 4.8143 4.9526 4.9526 5.0254 5.0256 5.0758 5.0763 5.3090 5.3092 5.8547 5.8547 5.9805 5.9807 6.6088 6.6094 6.6546 6.6555 6.7318 6.7323 7.4033 7.4034 9.6612 9.6612 10.8660 10.8661 11.3351 11.3351 k = 0.2293-0.4037 0.3356 ( 3937 PWs) bands (ev): -7.9929 -7.9929 -6.6016 -6.6016 -6.2067 -6.2067 -1.0784 -1.0784 0.7853 0.7853 2.1310 2.1310 2.1943 2.1943 3.0148 3.0151 3.0405 3.0409 3.2300 3.2301 3.3224 3.3225 3.3510 3.3510 4.8190 4.8194 4.9546 4.9547 5.0278 5.0280 5.0732 5.0738 5.3028 5.3030 5.8553 5.8555 5.9534 5.9537 6.5989 6.5991 6.6743 6.6747 6.7658 6.7661 7.3814 7.3814 9.6400 9.6400 10.7879 10.7879 11.3227 11.3227 k = 0.2374-0.4182 0.3476 ( 3939 PWs) bands (ev): -7.9843 -7.9843 -6.6010 -6.6010 -6.2242 -6.2242 -1.0642 -1.0642 0.7971 0.7971 2.1241 2.1241 2.1538 2.1538 3.0348 3.0352 3.0659 3.0662 3.2329 3.2330 3.3178 3.3179 3.3563 3.3563 4.8243 4.8247 4.9565 4.9566 5.0300 5.0301 5.0707 5.0712 5.2946 5.2947 5.8580 5.8585 5.9262 5.9267 6.5741 6.5742 6.7109 6.7111 6.8004 6.8006 7.3577 7.3578 9.6160 9.6160 10.7132 10.7132 11.3078 11.3078 k = 0.2456-0.4326 0.3596 ( 3951 PWs) bands (ev): -7.9773 -7.9773 -6.5982 -6.5982 -6.2419 -6.2419 -1.0502 -1.0502 0.8117 0.8117 2.0920 2.0920 2.1394 2.1394 3.0496 3.0498 3.0916 3.0920 3.2356 3.2358 3.3133 3.3134 3.3617 3.3617 4.8299 4.8302 4.9579 4.9581 5.0318 5.0320 5.0682 5.0686 5.2849 5.2850 5.8569 5.8577 5.9061 5.9069 6.5484 6.5484 6.7497 6.7498 6.8350 6.8352 7.3325 7.3326 9.5897 9.5897 10.6426 10.6426 11.2905 11.2905 k = 0.2538-0.4470 0.3716 ( 3955 PWs) bands (ev): -7.9717 -7.9717 -6.5931 -6.5931 -6.2597 -6.2597 -1.0364 -1.0364 0.8292 0.8292 2.0492 2.0492 2.1367 2.1367 3.0608 3.0610 3.1159 3.1162 3.2380 3.2382 3.3092 3.3093 3.3670 3.3670 4.8355 4.8359 4.9589 4.9591 5.0333 5.0336 5.0657 5.0659 5.2740 5.2741 5.8406 5.8413 5.9057 5.9064 6.5238 6.5239 6.7877 6.7878 6.8692 6.8694 7.3059 7.3059 9.5615 9.5615 10.5769 10.5769 11.2712 11.2712 k = 0.2620-0.4614 0.3835 ( 3963 PWs) bands (ev): -7.9677 -7.9677 -6.5856 -6.5856 -6.2776 -6.2776 -1.0230 -1.0230 0.8496 0.8496 2.0065 2.0065 2.1353 2.1353 3.0694 3.0695 3.1379 3.1381 3.2398 3.2400 3.3055 3.3056 3.3722 3.3722 4.8412 4.8416 4.9593 4.9596 5.0344 5.0349 5.0631 5.0632 5.2626 5.2627 5.8143 5.8148 5.9198 5.9203 6.5008 6.5009 6.8237 6.8238 6.9028 6.9030 7.2779 7.2780 9.5319 9.5319 10.5168 10.5168 11.2502 11.2502 k = 0.2702-0.4758 0.3955 ( 3947 PWs) bands (ev): -7.9652 -7.9652 -6.5758 -6.5758 -6.2955 -6.2955 -1.0102 -1.0102 0.8727 0.8727 1.9653 1.9654 2.1340 2.1340 3.0757 3.0759 3.1572 3.1575 3.2409 3.2411 3.3022 3.3023 3.3773 3.3774 4.8470 4.8472 4.9589 4.9593 5.0349 5.0356 5.0604 5.0606 5.2512 5.2513 5.7860 5.7864 5.9404 5.9407 6.4798 6.4798 6.8567 6.8569 6.9354 6.9356 7.2488 7.2489 9.5013 9.5014 10.4629 10.4629 11.2277 11.2278 k = 0.2784-0.4902 0.4075 ( 3947 PWs) bands (ev): -7.9643 -7.9643 -6.5637 -6.5637 -6.3134 -6.3134 -0.9981 -0.9981 0.8985 0.8986 1.9262 1.9262 2.1326 2.1326 3.0801 3.0803 3.1737 3.1740 3.2412 3.2414 3.2992 3.2994 3.3823 3.3824 4.8524 4.8526 4.9575 4.9579 5.0346 5.0355 5.0577 5.0582 5.2403 5.2405 5.7581 5.7584 5.9647 5.9650 6.4607 6.4607 6.8860 6.8862 6.9669 6.9671 7.2187 7.2188 9.4703 9.4703 10.4159 10.4159 11.2042 11.2042 k = 0.2866-0.5047 0.4195 ( 3947 PWs) bands (ev): -7.9648 -7.9648 -6.5494 -6.5494 -6.3312 -6.3312 -0.9869 -0.9869 0.9270 0.9270 1.8893 1.8893 2.1310 2.1310 3.0827 3.0828 3.1872 3.1876 3.2406 3.2408 3.2966 3.2967 3.3872 3.3872 4.8573 4.8576 4.9549 4.9553 5.0333 5.0344 5.0554 5.0562 5.2305 5.2308 5.7315 5.7317 5.9918 5.9920 6.4436 6.4436 6.9107 6.9109 6.9972 6.9974 7.1880 7.1881 9.4393 9.4393 10.3764 10.3765 11.1798 11.1798 k = 0.2948-0.5191 0.4315 ( 3955 PWs) bands (ev): -7.9668 -7.9668 -6.5330 -6.5330 -6.3488 -6.3488 -0.9768 -0.9768 0.9580 0.9580 1.8548 1.8549 2.1291 2.1291 3.0834 3.0835 3.1978 3.1982 3.2394 3.2396 3.2940 3.2942 3.3919 3.3919 4.8617 4.8619 4.9509 4.9515 5.0308 5.0320 5.0537 5.0546 5.2223 5.2227 5.7065 5.7068 6.0209 6.0211 6.4286 6.4287 6.9300 6.9301 7.0264 7.0266 7.1569 7.1571 9.4087 9.4087 10.3449 10.3450 11.1548 11.1549 k = 0.3029-0.5335 0.4435 ( 3955 PWs) bands (ev): -7.9700 -7.9700 -6.5146 -6.5146 -6.3663 -6.3663 -0.9678 -0.9678 0.9914 0.9914 1.8231 1.8232 2.1271 2.1271 3.0824 3.0825 3.2055 3.2059 3.2377 3.2380 3.2915 3.2917 3.3964 3.3965 4.8652 4.8654 4.9458 4.9464 5.0275 5.0286 5.0526 5.0536 5.2161 5.2165 5.6837 5.6839 6.0512 6.0513 6.4157 6.4158 6.9430 6.9431 7.0540 7.0542 7.1266 7.1268 9.3790 9.3790 10.3218 10.3219 11.1295 11.1295 k = 0.3029-0.5335 0.4435 ( 3955 PWs) bands (ev): -7.9700 -7.9700 -6.5146 -6.5146 -6.3663 -6.3663 -0.9678 -0.9678 0.9914 0.9914 1.8231 1.8232 2.1271 2.1271 3.0824 3.0825 3.2055 3.2059 3.2377 3.2380 3.2915 3.2917 3.3964 3.3965 4.8652 4.8654 4.9458 4.9464 5.0275 5.0286 5.0526 5.0536 5.2161 5.2165 5.6837 5.6839 6.0512 6.0513 6.4157 6.4158 6.9430 6.9431 7.0540 7.0542 7.1266 7.1268 9.3790 9.3790 10.3218 10.3219 11.1295 11.1295 k = 0.3153-0.5188 0.4386 ( 3948 PWs) bands (ev): -7.9687 -7.9687 -6.5230 -6.5228 -6.3583 -6.3581 -0.9720 -0.9719 0.9773 0.9776 1.8371 1.8376 2.1279 2.1280 3.0810 3.0810 3.2021 3.2046 3.2379 3.2392 3.2917 3.2937 3.3942 3.3949 4.8630 4.8631 4.9456 4.9517 5.0274 5.0316 5.0535 5.0540 5.2171 5.2212 5.6865 5.6984 6.0380 6.0414 6.4203 6.4215 6.9317 6.9336 7.0401 7.0445 7.1420 7.1476 9.3923 9.3943 10.3308 10.3316 11.1401 11.1402 k = 0.3276-0.5041 0.4338 ( 3950 PWs) bands (ev): -7.9679 -7.9679 -6.5321 -6.5318 -6.3486 -6.3482 -0.9776 -0.9776 0.9636 0.9641 1.8547 1.8557 2.1288 2.1288 3.0748 3.0753 3.1998 3.2036 3.2378 3.2402 3.2921 3.2956 3.3917 3.3933 4.8588 4.8593 4.9461 4.9564 5.0272 5.0337 5.0547 5.0548 5.2188 5.2278 5.6890 5.7124 6.0264 6.0330 6.4257 6.4281 6.9119 6.9148 7.0257 7.0312 7.1677 7.1748 9.4107 9.4145 10.3429 10.3444 11.1512 11.1515 k = 0.3399-0.4894 0.4289 ( 3946 PWs) bands (ev): -7.9675 -7.9674 -6.5415 -6.5411 -6.3377 -6.3372 -0.9846 -0.9845 0.9507 0.9515 1.8753 1.8767 2.1296 2.1297 3.0642 3.0656 3.1987 3.2034 3.2373 3.2409 3.2927 3.2975 3.3891 3.3914 4.8534 4.8541 4.9473 4.9602 5.0270 5.0351 5.0561 5.0564 5.2217 5.2358 5.6913 5.7251 6.0169 6.0263 6.4319 6.4355 6.8877 6.8913 7.0108 7.0160 7.1976 7.2046 9.4339 9.4394 10.3578 10.3598 11.1627 11.1631 k = 0.3522-0.4747 0.4241 ( 3953 PWs) bands (ev): -7.9674 -7.9674 -6.5509 -6.5504 -6.3261 -6.3255 -0.9928 -0.9926 0.9389 0.9398 1.8983 1.9001 2.1305 2.1305 3.0499 3.0522 3.1984 3.2038 3.2363 3.2412 3.2936 3.2994 3.3864 3.3894 4.8471 4.8480 4.9487 4.9629 5.0268 5.0356 5.0576 5.0582 5.2256 5.2447 5.6932 5.7360 6.0097 6.0212 6.4390 6.4436 6.8615 6.8654 6.9955 6.9996 7.2286 7.2349 9.4615 9.4684 10.3751 10.3775 11.1744 11.1749 k = 0.3645-0.4600 0.4193 ( 3956 PWs) bands (ev): -7.9676 -7.9675 -6.5599 -6.5594 -6.3143 -6.3136 -1.0018 -1.0016 0.9284 0.9294 1.9232 1.9252 2.1313 2.1314 3.0327 3.0358 3.1987 3.2047 3.2349 3.2411 3.2947 3.3013 3.3836 3.3873 4.8405 4.8413 4.9503 4.9646 5.0266 5.0355 5.0593 5.0602 5.2303 5.2540 5.6949 5.7446 6.0051 6.0181 6.4467 6.4524 6.8345 6.8387 6.9796 6.9828 7.2592 7.2645 9.4930 9.5011 10.3943 10.3969 11.1860 11.1865 k = 0.3768-0.4453 0.4144 ( 3957 PWs) bands (ev): -7.9680 -7.9679 -6.5685 -6.5680 -6.3024 -6.3018 -1.0113 -1.0111 0.9193 0.9204 1.9493 1.9515 2.1320 2.1322 3.0133 3.0170 3.1992 3.2059 3.2332 3.2407 3.2962 3.3032 3.3808 3.3850 4.8336 4.8344 4.9521 4.9655 5.0264 5.0348 5.0609 5.0621 5.2359 5.2633 5.6962 5.7506 6.0033 6.0167 6.4552 6.4618 6.8077 6.8119 6.9634 6.9656 7.2885 7.2929 9.5278 9.5369 10.4149 10.4175 11.1974 11.1978 k = 0.3892-0.4306 0.4096 ( 3957 PWs) bands (ev): -7.9685 -7.9685 -6.5765 -6.5760 -6.2909 -6.2903 -1.0212 -1.0210 0.9115 0.9127 1.9761 1.9784 2.1328 2.1330 2.9924 2.9966 3.1997 3.2070 3.2314 3.2401 3.2979 3.3051 3.3779 3.3827 4.8269 4.8275 4.9538 4.9659 5.0261 5.0339 5.0624 5.0638 5.2421 5.2722 5.6971 5.7539 6.0041 6.0170 6.4642 6.4717 6.7817 6.7856 6.9471 6.9484 7.3160 7.3196 9.5652 9.5749 10.4364 10.4390 11.2083 11.2086 k = 0.4015-0.4159 0.4047 ( 3951 PWs) bands (ev): -7.9692 -7.9691 -6.5838 -6.5833 -6.2800 -6.2794 -1.0311 -1.0309 0.9051 0.9062 2.0030 2.0053 2.1336 2.1339 2.9707 2.9751 3.2001 3.2078 3.2297 3.2393 3.2998 3.3071 3.3752 3.3802 4.8204 4.8209 4.9555 4.9661 5.0259 5.0327 5.0638 5.0653 5.2487 5.2803 5.6979 5.7545 6.0072 6.0189 6.4736 6.4818 6.7569 6.7604 6.9308 6.9314 7.3414 7.3441 9.6041 9.6141 10.4586 10.4609 11.2185 11.2187 k = 0.4138-0.4012 0.3999 ( 3952 PWs) bands (ev): -7.9699 -7.9699 -6.5904 -6.5900 -6.2698 -6.2693 -1.0407 -1.0404 0.9000 0.9010 2.0294 2.0316 2.1344 2.1348 2.9489 2.9532 3.2002 3.2081 3.2284 3.2385 3.3018 3.3090 3.3725 3.3777 4.8143 4.8146 4.9570 4.9659 5.0256 5.0314 5.0651 5.0666 5.2556 5.2874 5.6985 5.7529 6.0121 6.0220 6.4832 6.4919 6.7338 6.7367 6.9150 6.9150 7.3642 7.3664 9.6436 9.6534 10.4809 10.4827 11.2279 11.2279 k = 0.4261-0.3865 0.3950 ( 3950 PWs) bands (ev): -7.9706 -7.9706 -6.5961 -6.5958 -6.2606 -6.2602 -1.0496 -1.0494 0.8959 0.8969 2.0545 2.0565 2.1353 2.1358 2.9275 2.9317 3.2001 3.2077 3.2278 3.2376 3.3040 3.3108 3.3701 3.3753 4.8087 4.8089 4.9584 4.9656 5.0253 5.0301 5.0661 5.0676 5.2626 5.2932 5.6994 5.7494 6.0182 6.0260 6.4928 6.5017 6.7127 6.7149 6.8994 6.8998 7.3845 7.3861 9.6822 9.6916 10.5029 10.5042 11.2362 11.2363 k = 0.4384-0.3718 0.3902 ( 3958 PWs) bands (ev): -7.9713 -7.9712 -6.6011 -6.6008 -6.2526 -6.2522 -1.0577 -1.0575 0.8928 0.8937 2.0774 2.0790 2.1364 2.1371 2.9075 2.9114 3.1999 3.2067 3.2278 3.2367 3.3061 3.3124 3.3679 3.3729 4.8037 4.8038 4.9596 4.9653 5.0249 5.0288 5.0670 5.0683 5.2696 5.2976 5.7005 5.7447 6.0246 6.0305 6.5021 6.5110 6.6941 6.6954 6.8851 6.8858 7.4018 7.4030 9.7187 9.7272 10.5241 10.5248 11.2434 11.2437 k = 0.4507-0.3571 0.3853 ( 3962 PWs) bands (ev): -7.9719 -7.9719 -6.6052 -6.6049 -6.2457 -6.2454 -1.0647 -1.0645 0.8906 0.8913 2.0971 2.0981 2.1381 2.1391 2.8896 2.8929 3.1997 3.2053 3.2282 3.2357 3.3083 3.3137 3.3661 3.3705 4.7995 4.7996 4.9607 4.9650 5.0246 5.0276 5.0678 5.0689 5.2763 5.3005 5.7021 5.7391 6.0310 6.0351 6.5107 6.5191 6.6783 6.6788 6.8724 6.8732 7.4162 7.4170 9.7514 9.7588 10.5436 10.5438 11.2494 11.2498 k = 0.4631-0.3424 0.3805 ( 3959 PWs) bands (ev): -7.9724 -7.9724 -6.6083 -6.6082 -6.2403 -6.2401 -1.0703 -1.0702 0.8890 0.8896 2.1120 2.1124 2.1411 2.1424 2.8746 2.8773 3.1995 3.2039 3.2290 3.2349 3.3103 3.3147 3.3647 3.3684 4.7962 4.7962 4.9616 4.9646 5.0245 5.0266 5.0684 5.0693 5.2826 5.3018 5.7045 5.7331 6.0365 6.0392 6.5185 6.5257 6.6654 6.6656 6.8619 6.8627 7.4275 7.4281 9.7790 9.7848 10.5604 10.5605 11.2542 11.2546 k = 0.4754-0.3277 0.3757 ( 3964 PWs) bands (ev): -7.9727 -7.9727 -6.6106 -6.6105 -6.2364 -6.2362 -1.0745 -1.0744 0.8880 0.8884 2.1208 2.1209 2.1457 2.1470 2.8633 2.8652 3.1995 3.2024 3.2300 3.2339 3.3121 3.3152 3.3639 3.3666 4.7937 4.7938 4.9624 4.9643 5.0244 5.0258 5.0689 5.0696 5.2884 5.3017 5.7076 5.7271 6.0409 6.0424 6.5248 6.5303 6.6557 6.6562 6.8541 6.8547 7.4356 7.4360 9.8002 9.8042 10.5735 10.5737 11.2577 11.2581 k = 0.4877-0.3130 0.3708 ( 3961 PWs) bands (ev): -7.9730 -7.9730 -6.6120 -6.6119 -6.2340 -6.2339 -1.0770 -1.0769 0.8874 0.8876 2.1247 2.1248 2.1505 2.1512 2.8565 2.8574 3.1998 3.2012 3.2310 3.2330 3.3136 3.3152 3.3637 3.3651 4.7923 4.7923 4.9630 4.9639 5.0245 5.0252 5.0693 5.0696 5.2933 5.3001 5.7115 5.7214 6.0437 6.0444 6.5295 6.5325 6.6500 6.6504 6.8493 6.8496 7.4406 7.4407 9.8137 9.8158 10.5820 10.5821 11.2599 11.2601 k = 0.5000-0.2983 0.3660 ( 3962 PWs) bands (ev): -7.9730 -7.9730 -6.6124 -6.6124 -6.2331 -6.2331 -1.0778 -1.0778 0.8873 0.8873 2.1258 2.1258 2.1527 2.1527 2.8544 2.8544 3.2003 3.2003 3.2320 3.2320 3.3146 3.3146 3.3641 3.3641 4.7918 4.7918 4.9635 4.9635 5.0247 5.0247 5.0696 5.0696 5.2973 5.2973 5.7161 5.7161 6.0449 6.0449 6.5322 6.5322 6.6482 6.6482 6.8477 6.8477 7.4423 7.4423 9.8190 9.8190 10.5850 10.5850 11.2607 11.2607 k = 0.5000-0.2983 0.3660 ( 3962 PWs) bands (ev): -7.9730 -7.9730 -6.6124 -6.6124 -6.2331 -6.2331 -1.0778 -1.0778 0.8873 0.8873 2.1258 2.1258 2.1527 2.1527 2.8544 2.8544 3.2003 3.2003 3.2320 3.2320 3.3146 3.3146 3.3641 3.3641 4.7918 4.7918 4.9635 4.9635 5.0247 5.0247 5.0696 5.0696 5.2973 5.2973 5.7161 5.7161 6.0449 6.0449 6.5322 6.5322 6.6482 6.6482 6.8477 6.8477 7.4423 7.4423 9.8190 9.8190 10.5850 10.5850 11.2607 11.2607 k = 0.4940-0.2878 0.3826 ( 3968 PWs) bands (ev): -7.9722 -7.9720 -6.6122 -6.6119 -6.2328 -6.2326 -1.0788 -1.0785 0.8876 0.8881 2.0833 2.1052 2.1656 2.1921 2.8523 2.8550 3.1993 3.2005 3.2310 3.2327 3.3129 3.3150 3.3621 3.3656 4.7901 4.7945 4.9581 4.9689 5.0219 5.0271 5.0686 5.0697 5.2952 5.3031 5.7137 5.7185 6.0447 6.0472 6.5283 6.5301 6.6450 6.6536 6.8409 6.8455 7.4462 7.4480 9.8183 9.8222 10.5858 10.5888 11.2536 11.2592 k = 0.4881-0.2773 0.3993 ( 3960 PWs) bands (ev): -7.9694 -7.9690 -6.6112 -6.6107 -6.2317 -6.2313 -1.0815 -1.0810 0.8888 0.8899 2.0347 2.0543 2.1987 2.2271 2.8486 2.8539 3.1973 3.1996 3.2300 3.2331 3.3097 3.3141 3.3596 3.3666 4.7898 4.7983 4.9530 4.9745 5.0188 5.0290 5.0670 5.0690 5.2968 5.3124 5.7114 5.7211 6.0467 6.0516 6.5193 6.5220 6.6443 6.6599 6.8250 6.8347 7.4598 7.4632 9.8200 9.8279 10.5912 10.5971 11.2388 11.2494 k = 0.4821-0.2669 0.4160 ( 3972 PWs) bands (ev): -7.9647 -7.9641 -6.6095 -6.6088 -6.2298 -6.2291 -1.0860 -1.0852 0.8909 0.8926 1.9810 1.9979 2.2275 2.2575 2.8431 2.8510 3.1941 3.1975 3.2289 3.2332 3.3053 3.3121 3.3567 3.3668 4.7907 4.8028 4.9478 4.9798 5.0156 5.0301 5.0651 5.0676 5.3016 5.3242 5.7088 5.7233 6.0510 6.0583 6.5060 6.5090 6.6454 6.6656 6.8010 6.8167 7.4827 7.4874 9.8238 9.8357 10.6009 10.6099 11.2181 11.2330 k = 0.4762-0.2564 0.4327 ( 3968 PWs) bands (ev): -7.9580 -7.9573 -6.6072 -6.6062 -6.2271 -6.2262 -1.0924 -1.0913 0.8940 0.8962 1.9225 1.9367 2.2525 2.2836 2.8360 2.8463 3.1894 3.1941 3.2280 3.2330 3.2999 3.3094 3.3535 3.3665 4.7928 4.8077 4.9426 4.9848 5.0127 5.0305 5.0632 5.0665 5.3086 5.3377 5.7053 5.7245 6.0580 6.0672 6.4886 6.4930 6.6473 6.6692 6.7701 6.7939 7.5143 7.5201 9.8293 9.8455 10.6148 10.6269 11.1930 11.2117 k = 0.4702-0.2459 0.4493 ( 3968 PWs) bands (ev): -7.9495 -7.9485 -6.6041 -6.6029 -6.2236 -6.2224 -1.1009 -1.0995 0.8978 0.9007 1.8600 1.8717 2.2741 2.3060 2.8270 2.8397 3.1828 3.1891 3.2270 3.2325 3.2939 3.3062 3.3501 3.3657 4.7958 4.8127 4.9374 4.9886 5.0103 5.0301 5.0613 5.0660 5.3169 5.3518 5.7005 5.7241 6.0676 6.0782 6.4679 6.4752 6.6486 6.6690 6.7339 6.7693 7.5542 7.5610 9.8360 9.8568 10.6323 10.6477 11.1649 11.1872 k = 0.4643-0.2354 0.4660 ( 3964 PWs) bands (ev): -7.9391 -7.9379 -6.6004 -6.5989 -6.2193 -6.2179 -1.1115 -1.1098 0.9022 0.9058 1.7942 1.8036 2.2926 2.3252 2.8163 2.8310 3.1741 3.1823 3.2259 3.2318 3.2879 3.3029 3.3465 3.3642 4.7995 4.8175 4.9321 4.9907 5.0089 5.0291 5.0599 5.0664 5.3257 5.3656 5.6942 5.7213 6.0794 6.0907 6.4446 6.4558 6.6460 6.6642 6.6941 6.7476 7.6023 7.6098 9.8437 9.8693 10.6530 10.6718 11.1347 11.1606 k = 0.4583-0.2249 0.4827 ( 3958 PWs) bands (ev): -7.9268 -7.9254 -6.5960 -6.5943 -6.2142 -6.2126 -1.1246 -1.1226 0.9071 0.9115 1.7264 1.7339 2.3085 2.3416 2.8037 2.8205 3.1631 3.1733 3.2244 3.2310 3.2824 3.2999 3.3428 3.3623 4.8036 4.8220 4.9266 4.9909 5.0082 5.0280 5.0595 5.0675 5.3342 5.3784 5.6863 5.7156 6.0925 6.1036 6.4196 6.4350 6.6301 6.6537 6.6603 6.7330 7.6583 7.6662 9.8519 9.8827 10.6760 10.6986 11.1034 11.1331 k = 0.4524-0.2144 0.4994 ( 3958 PWs) bands (ev): -7.9126 -7.9111 -6.5911 -6.5891 -6.2084 -6.2066 -1.1402 -1.1380 0.9122 0.9175 1.6575 1.6636 2.3220 2.3553 2.7897 2.8082 3.1499 3.1617 3.2221 3.2300 3.2777 3.2973 3.3389 3.3599 4.8080 4.8260 4.9208 4.9899 5.0070 5.0269 5.0603 5.0690 5.3416 5.3896 5.6770 5.7069 6.1053 6.1153 6.3930 6.4127 6.5975 6.6175 6.6594 6.7248 7.7219 7.7301 9.8605 9.8968 10.7005 10.7274 11.0716 11.1054 k = 0.4464-0.2040 0.5161 ( 3952 PWs) bands (ev): -7.8966 -7.8950 -6.5856 -6.5834 -6.2020 -6.1999 -1.1588 -1.1562 0.9171 0.9235 1.5888 1.5944 2.3330 2.3666 2.7745 2.7944 3.1345 3.1476 3.2190 3.2288 3.2741 3.2954 3.3350 3.3571 4.8124 4.8296 4.9149 4.9884 5.0047 5.0260 5.0626 5.0710 5.3479 5.3988 5.6668 5.6956 6.1159 6.1234 6.3651 6.3892 6.5578 6.5859 6.6590 6.7199 7.7929 7.8010 9.8695 9.9119 10.7255 10.7572 11.0401 11.0782 k = 0.4405-0.1935 0.5327 ( 3954 PWs) bands (ev): -7.8789 -7.8770 -6.5796 -6.5771 -6.1948 -6.1926 -1.1806 -1.1777 0.9214 0.9291 1.5218 1.5277 2.3415 2.3752 2.7586 2.7796 3.1170 3.1310 3.2149 3.2272 3.2716 3.2941 3.3310 3.3539 4.8166 4.8326 4.9087 4.9869 5.0012 5.0250 5.0658 5.0732 5.3525 5.4056 5.6562 5.6820 6.1216 6.1261 6.3362 6.3642 6.5193 6.5575 6.6585 6.7160 7.8704 7.8782 9.8793 9.9281 10.7496 10.7872 11.0098 11.0525 k = 0.4345-0.1830 0.5494 ( 3958 PWs) bands (ev): -7.8593 -7.8573 -6.5731 -6.5705 -6.1870 -6.1846 -1.2058 -1.2025 0.9245 0.9336 1.4580 1.4648 2.3473 2.3809 2.7425 2.7644 3.0977 3.1122 3.2098 3.2249 3.2704 3.2936 3.3271 3.3505 4.8203 4.8352 4.9023 4.9857 4.9970 5.0239 5.0695 5.0756 5.3555 5.4099 5.6460 5.6672 6.1183 6.1226 6.3065 6.3381 6.4854 6.5336 6.6578 6.7123 7.9533 7.9605 9.8905 9.9460 10.7714 10.8164 10.9813 11.0290 k = 0.4286-0.1725 0.5661 ( 3956 PWs) bands (ev): -7.8381 -7.8359 -6.5662 -6.5634 -6.1786 -6.1760 -1.2347 -1.2310 0.9256 0.9365 1.3993 1.4073 2.3500 2.3832 2.7271 2.7492 3.0767 3.0917 3.2037 3.2216 3.2703 3.2936 3.3233 3.3468 4.8232 4.8378 4.8960 4.9847 4.9926 5.0226 5.0730 5.0786 5.3567 5.4113 5.6361 5.6525 6.1035 6.1123 6.2764 6.3113 6.4579 6.5149 6.6569 6.7085 8.0400 8.0466 9.9040 9.9667 10.7894 10.8437 10.9558 11.0086 k = 0.4226-0.1620 0.5828 ( 3954 PWs) bands (ev): -7.8151 -7.8128 -6.5590 -6.5559 -6.1696 -6.1668 -1.2674 -1.2634 0.9238 0.9366 1.3472 1.3567 2.3493 2.3817 2.7129 2.7347 3.0546 3.0697 3.1965 3.2170 3.2712 3.2938 3.3199 3.3430 4.8247 4.8405 4.8898 4.9837 4.9884 5.0212 5.0757 5.0820 5.3562 5.4098 5.6256 5.6403 6.0789 6.0928 6.2463 6.2843 6.4368 6.5011 6.6561 6.7045 8.1281 8.1349 9.9211 9.9911 10.8017 10.8672 10.9352 10.9925 k = 0.4167-0.1515 0.5994 ( 3954 PWs) bands (ev): -7.7906 -7.7881 -6.5515 -6.5483 -6.1601 -6.1571 -1.3042 -1.2998 0.9183 0.9331 1.3035 1.3146 2.3449 2.3760 2.7005 2.7214 3.0316 3.0468 3.1883 3.2109 3.2732 3.2938 3.3171 3.3392 4.8245 4.8436 4.8838 4.9809 4.9863 5.0196 5.0776 5.0856 5.3540 5.4053 5.6133 5.6333 6.0460 6.0645 6.2165 6.2575 6.4209 6.4909 6.6553 6.7005 8.2151 8.2231 9.9432 10.0207 10.8068 10.8812 10.9252 10.9819 k = 0.4107-0.1411 0.6161 ( 3952 PWs) bands (ev): -7.7644 -7.7619 -6.5438 -6.5404 -6.1502 -6.1470 -1.3451 -1.3403 0.9085 0.9251 1.2694 1.2819 2.3366 2.3659 2.6901 2.7094 3.0083 3.0236 3.1789 3.2032 3.2758 3.2931 3.3151 3.3358 4.8226 4.8472 4.8781 4.9765 4.9863 5.0179 5.0788 5.0891 5.3504 5.3978 5.6008 5.6305 6.0070 6.0298 6.1867 6.2308 6.4083 6.4828 6.6546 6.6966 8.2984 8.3087 9.9720 10.0568 10.8042 10.8779 10.9332 10.9775 k = 0.4048-0.1306 0.6328 ( 3956 PWs) bands (ev): -7.7367 -7.7341 -6.5360 -6.5324 -6.1398 -6.1364 -1.3901 -1.3848 0.8946 0.9124 1.2454 1.2588 2.3245 2.3516 2.6815 2.6988 2.9854 3.0007 3.1683 3.1940 3.2787 3.2916 3.3137 3.3333 4.8192 4.8507 4.8729 4.9717 4.9871 5.0162 5.0792 5.0921 5.3457 5.3875 5.5897 5.6309 5.9640 5.9911 6.1567 6.2041 6.3971 6.4751 6.6538 6.6930 8.3756 8.3886 10.0092 10.1010 10.7956 10.8664 10.9495 10.9788 k = 0.3988-0.1201 0.6495 ( 3952 PWs) bands (ev): -7.7076 -7.7048 -6.5282 -6.5244 -6.1290 -6.1255 -1.4391 -1.4334 0.8774 0.8959 1.2306 1.2444 2.3088 2.3335 2.6738 2.6889 2.9637 2.9788 3.1566 3.1833 3.2805 3.2904 3.3120 3.3326 4.8145 4.8536 4.8687 4.9671 4.9882 5.0147 5.0790 5.0947 5.3402 5.3749 5.5810 5.6335 5.9187 5.9504 6.1263 6.1775 6.3861 6.4668 6.6530 6.6897 8.4445 8.4601 10.0560 10.1539 10.7833 10.8533 10.9672 10.9851 k = 0.3929-0.1096 0.6661 ( 3950 PWs) bands (ev): -7.6771 -7.6742 -6.5204 -6.5164 -6.1180 -6.1143 -1.4919 -1.4858 0.8585 0.8772 1.2236 1.2373 2.2903 2.3125 2.6660 2.6789 2.9441 2.9588 3.1437 3.1712 3.2792 3.2917 3.3097 3.3340 4.8088 4.8546 4.8666 4.9626 4.9895 5.0132 5.0778 5.0969 5.3341 5.3605 5.5745 5.6380 5.8728 5.9091 6.0955 6.1507 6.3743 6.4571 6.6519 6.6868 8.5034 8.5212 10.1127 10.2158 10.7692 10.8395 10.9855 10.9960 k = 0.3869-0.0991 0.6828 ( 3948 PWs) bands (ev): -7.6452 -7.6423 -6.5128 -6.5087 -6.1066 -6.1028 -1.5482 -1.5417 0.8395 0.8580 1.2223 1.2357 2.2697 2.2895 2.6566 2.6676 2.9278 2.9416 3.1297 3.1576 3.2754 3.2936 3.3078 3.3371 4.8025 4.8519 4.8681 4.9583 4.9906 5.0121 5.0757 5.0989 5.3274 5.3452 5.5702 5.6437 5.8276 5.8683 6.0645 6.1239 6.3613 6.4456 6.6502 6.6842 8.5512 8.5706 10.1786 10.2853 10.7544 10.8251 11.0058 11.0123 k = 0.3810-0.0887 0.6995 ( 3942 PWs) bands (ev): -7.6122 -7.6092 -6.5054 -6.5011 -6.0951 -6.0911 -1.6076 -1.6007 0.8217 0.8398 1.2250 1.2378 2.2478 2.2655 2.6445 2.6541 2.9154 2.9279 3.1146 3.1428 3.2705 3.2927 3.3090 3.3413 4.7957 4.8473 4.8714 4.9543 4.9913 5.0117 5.0728 5.1005 5.3187 5.3313 5.5672 5.6498 5.7846 5.8288 6.0336 6.0971 6.3469 6.4321 6.6478 6.6816 8.5877 8.6079 10.2513 10.3598 10.7395 10.8100 11.0302 11.0357 k = 0.3750-0.0782 0.7162 ( 3936 PWs) bands (ev): -7.5780 -7.5749 -6.4983 -6.4940 -6.0834 -6.0793 -1.6696 -1.6624 0.8060 0.8236 1.2300 1.2423 2.2256 2.2414 2.6287 2.6375 2.9073 2.9181 3.0987 3.1269 3.2649 3.2885 3.3135 3.3464 4.7889 4.8417 4.8754 4.9505 4.9912 5.0121 5.0693 5.1020 5.3052 5.3221 5.5645 5.6545 5.7463 5.7915 6.0032 6.0703 6.3313 6.4168 6.6445 6.6789 8.6136 8.6338 10.3269 10.4348 10.7248 10.7940 11.0618 11.0687 k = 0.3690-0.0677 0.7329 ( 3938 PWs) bands (ev): -7.5427 -7.5397 -6.4917 -6.4873 -6.0717 -6.0675 -1.7337 -1.7262 0.7928 0.8099 1.2364 1.2481 2.2038 2.2180 2.6093 2.6177 2.9033 2.9121 3.0820 3.1101 3.2590 3.2829 3.3194 3.3518 4.7821 4.8355 4.8796 4.9471 4.9902 5.0134 5.0652 5.1031 5.2893 5.3157 5.5601 5.6533 5.7177 5.7579 5.9734 6.0437 6.3143 6.3996 6.6401 6.6758 8.6299 8.6496 10.4004 10.5044 10.7109 10.7771 11.1040 11.1146 k = 0.3631-0.0572 0.7495 ( 3936 PWs) bands (ev): -7.5066 -7.5035 -6.4857 -6.4811 -6.0599 -6.0556 -1.7993 -1.7916 0.7825 0.7990 1.2432 1.2544 2.1832 2.1961 2.5865 2.5951 2.9024 2.9092 3.0650 3.0927 3.2528 3.2767 3.3259 3.3576 4.7755 4.8290 4.8840 4.9439 4.9883 5.0152 5.0611 5.1039 5.2734 5.3100 5.5511 5.6403 5.7038 5.7319 5.9446 6.0173 6.2963 6.3809 6.6346 6.6720 8.6380 8.6569 10.4668 10.5620 10.6994 10.7594 11.1595 11.1757 k = 0.3571-0.0467 0.7662 ( 3938 PWs) bands (ev): -7.4697 -7.4666 -6.4803 -6.4757 -6.0483 -6.0438 -1.8658 -1.8580 0.7749 0.7908 1.2499 1.2604 2.1645 2.1764 2.5611 2.5703 2.9030 2.9086 3.0482 3.0750 3.2465 3.2702 3.3328 3.3636 4.7693 4.8221 4.8883 4.9410 4.9857 5.0174 5.0571 5.1043 5.2585 5.3042 5.5347 5.6204 5.6929 5.7231 5.9173 5.9915 6.2773 6.3607 6.6278 6.6673 8.6396 8.6574 10.5226 10.6003 10.6944 10.7409 11.2296 11.2520 k = 0.3512-0.0362 0.7829 ( 3936 PWs) bands (ev): -7.4321 -7.4291 -6.4757 -6.4711 -6.0367 -6.0322 -1.9327 -1.9248 0.7699 0.7851 1.2559 1.2658 2.1481 2.1593 2.5340 2.5441 2.9035 2.9088 3.0323 3.0576 3.2401 3.2637 3.3400 3.3697 4.7637 4.8151 4.8927 4.9384 4.9826 5.0194 5.0535 5.1042 5.2452 5.2978 5.5112 5.5987 5.6829 5.7281 5.8918 5.9661 6.2576 6.3394 6.6197 6.6617 8.6360 8.6526 10.5663 10.6135 10.7014 10.7220 11.3127 11.3409 k = 0.3452-0.0258 0.7996 ( 3946 PWs) bands (ev): -7.3940 -7.3910 -6.4719 -6.4673 -6.0254 -6.0207 -1.9993 -1.9914 0.7671 0.7817 1.2610 1.2703 2.1344 2.1453 2.5060 2.5172 2.9021 2.9081 3.0187 3.0413 3.2337 3.2573 3.3473 3.3758 4.7585 4.8080 4.8969 4.9361 4.9788 5.0211 5.0506 5.1036 5.2338 5.2903 5.4839 5.5753 5.6799 5.7367 5.8690 5.9415 6.2375 6.3172 6.6102 6.6549 8.6286 8.6440 10.5984 10.6085 10.7031 10.7159 11.4047 11.4371 k = 0.3393-0.0153 0.8162 ( 3944 PWs) bands (ev): -7.3556 -7.3527 -6.4691 -6.4645 -6.0143 -6.0096 -2.0651 -2.0572 0.7662 0.7802 1.2651 1.2737 2.1237 2.1344 2.4779 2.4904 2.8972 2.9044 3.0087 3.0271 3.2276 3.2512 3.3546 3.3819 4.7540 4.8012 4.9011 4.9341 4.9744 5.0221 5.0485 5.1026 5.2247 5.2814 5.4561 5.5512 5.6828 5.7453 5.8498 5.9179 6.2171 6.2945 6.5993 6.6469 8.6185 8.6327 10.5949 10.6211 10.6855 10.7296 11.5005 11.5349 k = 0.3333-0.0048 0.8329 ( 3948 PWs) bands (ev): -7.3170 -7.3142 -6.4674 -6.4628 -6.0035 -5.9987 -2.1294 -2.1216 0.7668 0.7801 1.2682 1.2759 2.1159 2.1267 2.4504 2.4644 2.8874 2.8965 3.0030 3.0159 3.2219 3.2457 3.3619 3.3879 4.7501 4.7946 4.9050 4.9323 4.9695 5.0225 5.0473 5.1014 5.2177 5.2705 5.4296 5.5279 5.6887 5.7516 5.8358 5.8956 6.1967 6.2715 6.5870 6.6376 8.6068 8.6198 10.5790 10.6316 10.6729 10.7402 11.5945 11.6287 k = 0.3274 0.0057 0.8496 ( 3948 PWs) bands (ev): -7.2785 -7.2757 -6.4667 -6.4622 -5.9931 -5.9883 -2.1918 -2.1842 0.7684 0.7811 1.2703 1.2772 2.1109 2.1220 2.4240 2.4399 2.8728 2.8841 3.0007 3.0079 3.2168 3.2411 3.3691 3.3939 4.7468 4.7885 4.9086 4.9308 4.9641 5.0224 5.0467 5.1002 5.2128 5.2576 5.4055 5.5063 5.6949 5.7543 5.8283 5.8757 6.1766 6.2487 6.5733 6.6271 8.5942 8.6061 10.5619 10.6263 10.6716 10.7479 11.6815 11.7129 k = 0.3214 0.0162 0.8663 ( 3948 PWs) bands (ev): -7.2402 -7.2375 -6.4673 -6.4628 -5.9832 -5.9783 -2.2518 -2.2444 0.7708 0.7828 1.2717 1.2777 2.1083 2.1199 2.3995 2.4174 2.8545 2.8676 3.0000 3.0028 3.2124 3.2375 3.3762 3.3997 4.7441 4.7830 4.9117 4.9295 4.9582 5.0217 5.0466 5.0995 5.2097 5.2426 5.3842 5.4872 5.6982 5.7553 5.8238 5.8616 6.1570 6.2264 6.5583 6.6154 8.5813 8.5922 10.5445 10.6114 10.6768 10.7533 11.7570 11.7829 k = 0.3155 0.0267 0.8829 ( 3932 PWs) bands (ev): -7.2024 -7.1999 -6.4690 -6.4647 -5.9738 -5.9689 -2.3088 -2.3017 0.7733 0.7847 1.2726 1.2776 2.1074 2.1196 2.3776 2.3977 2.8338 2.8482 2.9976 3.0016 3.2089 3.2352 3.3830 3.4053 4.7420 4.7783 4.9141 4.9285 4.9521 5.0208 5.0470 5.0995 5.2078 5.2262 5.3658 5.4708 5.6961 5.7590 5.8139 5.8592 6.1381 6.2051 6.5423 6.6027 8.5687 8.5785 10.5273 10.5941 10.6825 10.7570 11.8179 11.8361 k = 0.3095 0.0371 0.8996 ( 3926 PWs) bands (ev): -7.1654 -7.1630 -6.4719 -6.4677 -5.9650 -5.9601 -2.3624 -2.3556 0.7759 0.7867 1.2734 1.2774 2.1077 2.1205 2.3587 2.3813 2.8117 2.8269 2.9941 3.0012 3.2064 3.2342 3.3895 3.4107 4.7403 4.7742 4.9155 4.9277 4.9460 5.0194 5.0480 5.0999 5.2054 5.2101 5.3502 5.4571 5.6888 5.7664 5.7987 5.8661 6.1200 6.1853 6.5253 6.5891 8.5567 8.5655 10.5105 10.5766 10.6873 10.7595 11.8641 11.8741 k = 0.3036 0.0476 0.9163 ( 3930 PWs) bands (ev): -7.1296 -7.1273 -6.4760 -6.4720 -5.9569 -5.9519 -2.4121 -2.4058 0.7782 0.7885 1.2741 1.2773 2.1083 2.1216 2.3437 2.3687 2.7891 2.8045 2.9902 2.9999 3.2048 3.2344 3.3955 3.4159 4.7390 4.7710 4.9158 4.9264 4.9406 5.0178 5.0499 5.1007 5.1912 5.2058 5.3374 5.4456 5.6791 5.7714 5.7868 5.8765 6.1031 6.1676 6.5076 6.5748 8.5456 8.5534 10.4945 10.5597 10.6912 10.7611 11.8981 11.9017 k = 0.2976 0.0581 0.9330 ( 3930 PWs) bands (ev): -7.0952 -7.0931 -6.4811 -6.4773 -5.9494 -5.9444 -2.4577 -2.4519 0.7800 0.7899 1.2750 1.2775 2.1086 2.1221 2.3331 2.3604 2.7666 2.7817 2.9859 2.9976 3.2042 3.2358 3.4011 3.4208 4.7381 4.7685 4.9150 4.9236 4.9370 5.0161 5.0525 5.1017 5.1752 5.2037 5.3279 5.4360 5.6689 5.7594 5.7932 5.8875 6.0874 6.1525 6.4895 6.5602 8.5355 8.5424 10.4795 10.5438 10.6944 10.7621 11.9223 11.9251 k = 0.2917 0.0686 0.9496 ( 3938 PWs) bands (ev): -7.0626 -7.0607 -6.4871 -6.4835 -5.9427 -5.9377 -2.4987 -2.4934 0.7814 0.7908 1.2761 1.2781 2.1081 2.1214 2.3270 2.3563 2.7446 2.7591 2.9810 2.9942 3.2042 3.2379 3.4060 3.4254 4.7375 4.7667 4.9134 4.9193 4.9354 5.0146 5.0559 5.1021 5.1609 5.2003 5.3219 5.4277 5.6594 5.7431 5.8045 5.8977 6.0734 6.1404 6.4714 6.5455 8.5266 8.5327 10.4656 10.5292 10.6969 10.7628 11.9407 11.9462 k = 0.2857 0.0791 0.9663 ( 3938 PWs) bands (ev): -7.0325 -7.0306 -6.4938 -6.4904 -5.9368 -5.9318 -2.5349 -2.5302 0.7822 0.7913 1.2773 1.2792 2.1067 2.1192 2.3253 2.3561 2.7238 2.7374 2.9758 2.9902 3.2048 3.2406 3.4102 3.4296 4.7373 4.7655 4.9106 4.9150 4.9347 5.0135 5.0597 5.1014 5.1497 5.1955 5.3195 5.4203 5.6513 5.7271 5.8158 5.9062 6.0616 6.1315 6.4537 6.5313 8.5190 8.5242 10.4532 10.5161 10.6989 10.7632 11.9572 11.9645 k = 0.2798 0.0895 0.9830 ( 3936 PWs) bands (ev): -7.0052 -7.0035 -6.5007 -6.4976 -5.9318 -5.9267 -2.5659 -2.5618 0.7825 0.7915 1.2786 1.2807 2.1047 2.1157 2.3271 2.3591 2.7046 2.7170 2.9706 2.9858 3.2056 3.2435 3.4139 3.4333 4.7373 4.7647 4.9067 4.9118 4.9344 5.0130 5.0637 5.0990 5.1423 5.1896 5.3202 5.4133 5.6450 5.7122 5.8264 5.9121 6.0525 6.1257 6.4370 6.5179 8.5127 8.5170 10.4424 10.5046 10.7005 10.7634 11.9725 11.9808 k = 0.2738 0.1000 0.9997 ( 3932 PWs) bands (ev): -6.9815 -6.9799 -6.5075 -6.5047 -5.9276 -5.9225 -2.5915 -2.5881 0.7826 0.7914 1.2799 1.2823 2.1022 2.1116 2.3312 2.3641 2.6877 2.6985 2.9657 2.9815 3.2067 3.2463 3.4168 3.4365 4.7376 4.7641 4.9026 4.9092 4.9340 5.0131 5.0675 5.0950 5.1389 5.1827 5.3234 5.4064 5.6407 5.6986 5.8358 5.9152 6.0464 6.1225 6.4219 6.5059 8.5076 8.5111 10.4332 10.4950 10.7018 10.7636 11.9864 11.9951 k = 0.2679 0.1105 1.0164 ( 3930 PWs) bands (ev): -6.9619 -6.9605 -6.5137 -6.5111 -5.9243 -5.9192 -2.6116 -2.6088 0.7824 0.7912 1.2812 1.2838 2.0999 2.1075 2.3363 2.3700 2.6737 2.6826 2.9615 2.9778 3.2077 3.2488 3.4191 3.4391 4.7380 4.7637 4.8992 4.9068 4.9337 5.0134 5.0706 5.0905 5.1388 5.1756 5.3282 5.3996 5.6383 5.6866 5.8438 5.9157 6.0431 6.1213 6.4090 6.4957 8.5038 8.5065 10.4260 10.4874 10.7027 10.7636 11.9986 12.0070 k = 0.2619 0.1210 1.0330 ( 3926 PWs) bands (ev): -6.9473 -6.9459 -6.5187 -6.5163 -5.9219 -5.9168 -2.6260 -2.6238 0.7822 0.7909 1.2823 1.2851 2.0981 2.1040 2.3411 2.3754 2.6634 2.6702 2.9583 2.9748 3.2085 3.2508 3.4207 3.4410 4.7385 4.7635 4.8967 4.9050 4.9334 5.0139 5.0725 5.0868 5.1407 5.1688 5.3334 5.3933 5.6377 5.6769 5.8501 5.9144 6.0418 6.1212 6.3992 6.4881 8.5011 8.5031 10.4208 10.4819 10.7034 10.7637 12.0085 12.0161 k = 0.2560 0.1315 1.0497 ( 3936 PWs) bands (ev): -6.9383 -6.9369 -6.5219 -6.5196 -5.9205 -5.9154 -2.6346 -2.6329 0.7820 0.7907 1.2829 1.2859 2.0971 2.1015 2.3445 2.3791 2.6571 2.6620 2.9562 2.9729 3.2090 3.2520 3.4216 3.4422 4.7388 4.7632 4.8951 4.9037 4.9332 5.0143 5.0732 5.0849 5.1434 5.1632 5.3377 5.3884 5.6382 5.6701 5.8543 5.9128 6.0415 6.1216 6.3929 6.4832 8.4996 8.5010 10.4176 10.4785 10.7038 10.7637 12.0149 12.0218 k = 0.2500 0.1420 1.0664 ( 3936 PWs) bands (ev): -6.9352 -6.9338 -6.5231 -6.5208 -5.9200 -5.9149 -2.6374 -2.6359 0.7819 0.7906 1.2832 1.2862 2.0968 2.1006 2.3457 2.3805 2.6552 2.6591 2.9556 2.9723 3.2092 3.2524 3.4219 3.4425 4.7390 4.7631 4.8947 4.9033 4.9331 5.0143 5.0733 5.0844 5.1448 5.1610 5.3395 5.3863 5.6386 5.6678 5.8557 5.9122 6.0415 6.1218 6.3907 6.4815 8.4992 8.5003 10.4165 10.4774 10.7039 10.7637 12.0173 12.0237 k = 0.0806-0.1420 1.0664 ( 3936 PWs) bands (ev): -6.9902 -6.9889 -6.4955 -6.4934 -5.9648 -5.9647 -2.5495 -2.5460 0.7860 0.7931 1.5699 1.5763 1.7222 1.7296 2.4610 2.4733 2.8434 2.8517 2.9224 2.9251 3.3008 3.3031 3.3378 3.3393 4.7558 4.7926 4.9245 4.9310 4.9703 4.9850 5.0789 5.0945 5.1557 5.1940 5.2258 5.2340 5.5452 5.5509 5.8741 5.8790 6.2368 6.2391 6.3961 6.4077 8.4506 8.4528 10.4693 10.4715 10.5628 10.5683 11.5796 11.5922 k = 0.0865-0.1523 1.0500 ( 3936 PWs) bands (ev): -7.0142 -7.0127 -6.4872 -6.4846 -5.9741 -5.9738 -2.5205 -2.5163 0.7788 0.7865 1.5956 1.6014 1.7041 1.7119 2.4935 2.5066 2.8397 2.8505 2.9284 2.9307 3.2972 3.2989 3.3265 3.3301 4.7480 4.7917 4.9214 4.9311 4.9658 4.9864 5.0842 5.0973 5.1538 5.2061 5.2333 5.2538 5.5555 5.5579 5.8801 5.8942 6.2175 6.2231 6.3836 6.3944 8.4832 8.4862 10.4955 10.4989 10.5906 10.5958 11.5405 11.5512 k = 0.0923-0.1626 1.0336 ( 3942 PWs) bands (ev): -7.0418 -7.0401 -6.4783 -6.4753 -5.9842 -5.9838 -2.4865 -2.4817 0.7727 0.7808 1.6219 1.6272 1.6858 1.6939 2.5229 2.5365 2.8402 2.8533 2.9361 2.9379 3.2885 3.2958 3.3150 3.3225 4.7405 4.7912 4.9184 4.9307 4.9601 4.9882 5.0893 5.0995 5.1537 5.2148 5.2476 5.2760 5.5659 5.5679 5.8860 5.9101 6.1995 6.2085 6.3727 6.3824 8.5159 8.5198 10.5223 10.5268 10.6167 10.6214 11.5004 11.5089 k = 0.0982-0.1729 1.0172 ( 3940 PWs) bands (ev): -7.0723 -7.0704 -6.4693 -6.4661 -5.9950 -5.9945 -2.4479 -2.4424 0.7675 0.7761 1.6479 1.6523 1.6680 1.6766 2.5491 2.5630 2.8452 2.8603 2.9453 2.9467 3.2769 3.2899 3.3051 3.3167 4.7338 4.7913 4.9157 4.9299 4.9538 4.9902 5.0936 5.1009 5.1559 5.2212 5.2680 5.3005 5.5751 5.5823 5.8915 5.9262 6.1830 6.1953 6.3639 6.3722 8.5481 8.5529 10.5493 10.5550 10.6406 10.6450 11.4590 11.4649 k = 0.1040-0.1832 1.0008 ( 3941 PWs) bands (ev): -7.1050 -7.1030 -6.4608 -6.4572 -6.0065 -6.0058 -2.4047 -2.3988 0.7635 0.7724 1.6449 1.6525 1.6792 1.6841 2.5725 2.5864 2.8544 2.8711 2.9558 2.9569 3.2635 3.2793 3.2990 3.3121 4.7278 4.7920 4.9131 4.9289 4.9477 4.9922 5.0965 5.1013 5.1602 5.2267 5.2926 5.3272 5.5854 5.5987 5.8962 5.9419 6.1681 6.1837 6.3577 6.3643 8.5795 8.5853 10.5758 10.5830 10.6620 10.6662 11.4157 11.4189 k = 0.1099-0.1935 0.9844 ( 3937 PWs) bands (ev): -7.1396 -7.1374 -6.4528 -6.4490 -6.0186 -6.0178 -2.3574 -2.3510 0.7606 0.7698 1.6248 1.6328 1.7075 1.7111 2.5939 2.6074 2.8672 2.8851 2.9673 2.9680 3.2490 3.2660 3.2950 3.3081 4.7229 4.7932 4.9103 4.9280 4.9425 4.9943 5.0980 5.1007 5.1664 5.2320 5.3208 5.3560 5.5967 5.6171 5.8996 5.9565 6.1552 6.1736 6.3547 6.3593 8.6095 8.6164 10.6011 10.6101 10.6809 10.6853 11.3698 11.3699 k = 0.1157-0.2038 0.9680 ( 3940 PWs) bands (ev): -7.1755 -7.1732 -6.4458 -6.4418 -6.0313 -6.0304 -2.3063 -2.2994 0.7589 0.7684 1.6031 1.6112 1.7369 1.7396 2.6140 2.6266 2.8828 2.9016 2.9794 2.9799 3.2343 3.2517 3.2916 3.3043 4.7189 4.7949 4.9070 4.9272 4.9386 4.9964 5.0982 5.0993 5.1736 5.2368 5.3520 5.3868 5.6092 5.6374 5.9014 5.9691 6.1444 6.1647 6.3554 6.3579 8.6376 8.6457 10.6238 10.6349 10.6979 10.7030 11.3173 11.3203 k = 0.1216-0.2141 0.9516 ( 3939 PWs) bands (ev): -7.2125 -7.2100 -6.4397 -6.4355 -6.0445 -6.0435 -2.2517 -2.2444 0.7585 0.7683 1.5804 1.5884 1.7670 1.7689 2.6335 2.6451 2.9005 2.9197 2.9917 2.9922 3.2199 3.2376 3.2882 3.3006 4.7162 4.7972 4.9032 4.9265 4.9365 4.9986 5.0970 5.0979 5.1812 5.2411 5.3861 5.4195 5.6229 5.6595 5.9015 5.9790 6.1360 6.1568 6.3602 6.3608 8.6633 8.6727 10.6421 10.6547 10.7150 10.7209 11.2603 11.2662 k = 0.1274-0.2244 0.9352 ( 3939 PWs) bands (ev): -7.2502 -7.2475 -6.4348 -6.4304 -6.0581 -6.0570 -2.1939 -2.1863 0.7597 0.7696 1.5566 1.5645 1.7976 1.7986 2.6531 2.6634 2.9193 2.9387 3.0038 3.0044 3.2065 3.2241 3.2848 3.2969 4.7147 4.8001 4.8991 4.9259 4.9361 5.0009 5.0945 5.0969 5.1886 5.2447 5.4228 5.4540 5.6377 5.6832 5.9000 5.9855 6.1303 6.1499 6.3683 6.3694 8.6860 8.6968 10.6538 10.6662 10.7346 10.7404 11.1983 11.2067 k = 0.1333-0.2347 0.9189 ( 3937 PWs) bands (ev): -7.2883 -7.2855 -6.4309 -6.4264 -6.0721 -6.0709 -2.1334 -2.1256 0.7624 0.7726 1.5319 1.5397 1.8286 1.8287 2.6732 2.6822 2.9385 2.9579 3.0150 3.0161 3.1948 3.2120 3.2813 3.2931 4.7145 4.8034 4.8950 4.9256 4.9373 5.0033 5.0916 5.0956 5.1955 5.2475 5.4619 5.4901 5.6536 5.7083 5.8969 5.9884 6.1273 6.1438 6.3808 6.3829 8.7050 8.7173 10.6580 10.6676 10.7572 10.7618 11.1319 11.1416 k = 0.1391-0.2450 0.9025 ( 3930 PWs) bands (ev): -7.3266 -7.3237 -6.4281 -6.4236 -6.0864 -6.0851 -2.0706 -2.0627 0.7671 0.7773 1.5064 1.5140 1.8589 1.8597 2.6942 2.7019 2.9577 2.9768 3.0248 3.0268 3.1856 3.2018 3.2778 3.2894 4.7155 4.8071 4.8911 4.9254 4.9398 5.0059 5.0885 5.0942 5.2016 5.2497 5.5031 5.5276 5.6706 5.7347 5.8928 5.9879 6.1269 6.1385 6.3982 6.4005 8.7197 8.7334 10.6544 10.6586 10.7812 10.7841 11.0627 11.0718 k = 0.1450-0.2553 0.8861 ( 3930 PWs) bands (ev): -7.3648 -7.3619 -6.4265 -6.4219 -6.1010 -6.0996 -2.0060 -1.9980 0.7738 0.7842 1.4802 1.4875 1.8891 1.8907 2.7162 2.7226 2.9763 2.9949 3.0326 3.0357 3.1798 3.1944 3.2742 3.2856 4.7177 4.8112 4.8877 4.9254 4.9434 5.0086 5.0853 5.0928 5.2068 5.2511 5.5461 5.5661 5.6888 5.7617 5.8880 5.9846 6.1287 6.1341 6.4202 6.4218 8.7290 8.7444 10.6376 10.6422 10.8046 10.8055 10.9950 11.0003 k = 0.1508-0.2656 0.8697 ( 3938 PWs) bands (ev): -7.4028 -7.3998 -6.4258 -6.4212 -6.1157 -6.1143 -1.9401 -1.9321 0.7828 0.7933 1.4535 1.4605 1.9188 1.9214 2.7392 2.7443 2.9940 3.0113 3.0384 3.0426 3.1778 3.1904 3.2706 3.2820 4.7212 4.8155 4.8848 4.9255 4.9479 5.0113 5.0820 5.0913 5.2111 5.2519 5.5904 5.6050 5.7083 5.7891 5.8834 5.9796 6.1306 6.1327 6.4460 6.4463 8.7323 8.7492 10.6009 10.6187 10.8222 10.8247 10.9348 10.9362 k = 0.1567-0.2759 0.8533 ( 3936 PWs) bands (ev): -7.4404 -7.4374 -6.4262 -6.4215 -6.1305 -6.1290 -1.8733 -1.8653 0.7945 0.8050 1.4263 1.4331 1.9479 1.9515 2.7633 2.7672 3.0103 3.0243 3.0440 3.0476 3.1799 3.1902 3.2670 3.2784 4.7259 4.8202 4.8827 4.9258 4.9532 5.0141 5.0789 5.0899 5.2147 5.2522 5.6355 5.6432 5.7297 5.8158 5.8806 5.9740 6.1284 6.1385 6.4736 6.4752 8.7285 8.7469 10.5451 10.5788 10.8213 10.8341 10.8950 10.8989 k = 0.1625-0.2862 0.8369 ( 3934 PWs) bands (ev): -7.4775 -7.4745 -6.4274 -6.4228 -6.1454 -6.1439 -1.8063 -1.7983 0.8091 0.8196 1.3989 1.4055 1.9760 1.9806 2.7882 2.7909 3.0242 3.0305 3.0518 3.0534 3.1854 3.1935 3.2636 3.2751 4.7317 4.8249 4.8812 4.9263 4.9592 5.0168 5.0758 5.0886 5.2175 5.2522 5.6786 5.6798 5.7543 5.8394 5.8831 5.9690 6.1276 6.1460 6.5031 6.5071 8.7165 8.7362 10.4710 10.5186 10.7958 10.8228 10.8940 10.8947 k = 0.1684-0.2965 0.8205 ( 3932 PWs) bands (ev): -7.5139 -7.5108 -6.4295 -6.4249 -6.1602 -6.1586 -1.7394 -1.7316 0.8269 0.8374 1.3715 1.3778 2.0027 2.0083 2.8137 2.8153 3.0316 3.0340 3.0579 3.0655 3.1934 3.1997 3.2605 3.2721 4.7385 4.8298 4.8803 4.9269 4.9657 5.0194 5.0729 5.0874 5.2197 5.2519 5.7088 5.7200 5.7830 5.8575 5.8965 5.9662 6.1283 6.1552 6.5343 6.5409 8.6952 8.7159 10.3842 10.4407 10.7719 10.8061 10.9054 10.9055 k = 0.1742-0.3068 0.8041 ( 3934 PWs) bands (ev): -7.5494 -7.5464 -6.4323 -6.4278 -6.1749 -6.1733 -1.6733 -1.6657 0.8482 0.8586 1.3442 1.3502 2.0277 2.0344 2.8398 2.8402 3.0314 3.0387 3.0674 3.0778 3.2030 3.2079 3.2576 3.2696 4.7462 4.8347 4.8801 4.9276 4.9725 5.0217 5.0701 5.0863 5.2215 5.2516 5.7323 5.7502 5.8149 5.8773 5.9191 5.9682 6.1310 6.1660 6.5669 6.5761 8.6636 8.6848 10.2913 10.3525 10.7568 10.7939 10.9168 10.9169 k = 0.1801-0.3171 0.7877 ( 3936 PWs) bands (ev): -7.5840 -7.5810 -6.4357 -6.4313 -6.1895 -6.1879 -1.6084 -1.6012 0.8733 0.8836 1.3171 1.3229 2.0507 2.0584 2.8654 2.8660 3.0317 3.0411 3.0786 3.0893 3.2134 3.2173 3.2553 3.2676 4.7548 4.8395 4.8804 4.9284 4.9794 5.0237 5.0675 5.0853 5.2231 5.2514 5.7498 5.7656 5.8456 5.9089 5.9453 5.9789 6.1357 6.1783 6.6002 6.6123 8.6208 8.6419 10.1979 10.2610 10.7489 10.7869 10.9252 10.9254 k = 0.1859-0.3274 0.7713 ( 3938 PWs) bands (ev): -7.6176 -7.6146 -6.4397 -6.4354 -6.2038 -6.2022 -1.5454 -1.5385 0.9025 0.9126 1.2904 1.2960 2.0714 2.0802 2.8905 2.8922 3.0333 3.0435 3.0900 3.0997 3.2238 3.2270 3.2540 3.2667 4.7639 4.8442 4.8813 4.9292 4.9863 5.0253 5.0650 5.0843 5.2247 5.2515 5.7621 5.7689 5.8702 5.9484 5.9757 6.0021 6.1429 6.1922 6.6341 6.6489 8.5662 8.5864 10.1079 10.1709 10.7464 10.7843 10.9293 10.9294 k = 0.1918-0.3377 0.7549 ( 3939 PWs) bands (ev): -7.6500 -7.6471 -6.4441 -6.4399 -6.2178 -6.2162 -1.4847 -1.4781 0.9358 0.9458 1.2643 1.2696 2.0896 2.0995 2.9152 2.9180 3.0367 3.0470 3.1008 3.1091 3.2334 3.2355 3.2546 3.2672 4.7736 4.8488 4.8826 4.9302 4.9928 5.0266 5.0627 5.0834 5.2265 5.2519 5.7659 5.7698 5.8881 5.9808 6.0190 6.0379 6.1528 6.2075 6.6681 6.6855 8.4997 8.5183 10.0240 10.0853 10.7481 10.7855 10.9282 10.9285 k = 0.1976-0.3480 0.7385 ( 3949 PWs) bands (ev): -7.6812 -7.6784 -6.4489 -6.4448 -6.2315 -6.2299 -1.4266 -1.4204 0.9735 0.9832 1.2389 1.2440 2.1051 2.1162 2.9393 2.9432 3.0421 3.0521 3.1109 3.1174 3.2408 3.2413 3.2592 3.2699 4.7836 4.8532 4.8843 4.9311 4.9989 5.0274 5.0605 5.0825 5.2286 5.2528 5.7600 5.7731 5.9025 6.0039 6.0734 6.0821 6.1657 6.2246 6.7018 6.7219 8.4219 8.4382 9.9475 10.0061 10.7534 10.7902 10.9213 10.9223 k = 0.2035-0.3583 0.7221 ( 3949 PWs) bands (ev): -7.7110 -7.7083 -6.4539 -6.4500 -6.2447 -6.2432 -1.3717 -1.3659 1.0155 1.0249 1.2143 1.2192 2.1178 2.1302 2.9623 2.9674 3.0496 3.0589 3.1204 3.1250 3.2428 3.2465 3.2677 3.2757 4.7938 4.8573 4.8865 4.9320 5.0044 5.0278 5.0584 5.0815 5.2310 5.2541 5.7528 5.7728 5.9166 6.0225 6.1300 6.1320 6.1818 6.2442 6.7350 6.7577 8.3340 8.3475 9.8789 9.9338 10.7615 10.7977 10.9087 10.9107 k = 0.2093-0.3686 0.7058 ( 3945 PWs) bands (ev): -7.7395 -7.7369 -6.4591 -6.4554 -6.2575 -6.2561 -1.3203 -1.3149 1.0616 1.0708 1.1906 1.1956 2.1280 2.1415 2.9839 2.9901 3.0590 3.0675 3.1295 3.1319 3.2438 3.2497 3.2776 3.2837 4.8041 4.8611 4.8892 4.9328 5.0093 5.0279 5.0564 5.0805 5.2337 5.2560 5.7450 5.7698 5.9314 6.0380 6.1769 6.1864 6.2069 6.2686 6.7674 6.7925 8.2377 8.2480 9.8178 9.8684 10.7709 10.8068 10.8912 10.8948 k = 0.2152-0.3789 0.6894 ( 3943 PWs) bands (ev): -7.7666 -7.7641 -6.4645 -6.4609 -6.2698 -6.2684 -1.2724 -1.2675 1.1109 1.1204 1.1680 1.1739 2.1356 2.1503 3.0036 3.0110 3.0700 3.0776 3.1383 3.1387 3.2450 3.2520 3.2879 3.2929 4.8142 4.8644 4.8923 4.9336 5.0134 5.0276 5.0544 5.0793 5.2366 5.2582 5.7372 5.7649 5.9471 6.0508 6.2138 6.2168 6.2621 6.3020 6.7987 6.8262 8.1351 8.1423 9.7634 9.8095 10.7786 10.8133 10.8732 10.8776 k = 0.2210-0.3893 0.6730 ( 3939 PWs) bands (ev): -7.7921 -7.7898 -6.4698 -6.4665 -6.2816 -6.2802 -1.2284 -1.2239 1.1435 1.1454 1.1737 1.1748 2.1409 2.1568 3.0211 3.0296 3.0825 3.0891 3.1457 3.1471 3.2466 3.2540 3.2981 3.3026 4.8240 4.8671 4.8959 4.9341 5.0169 5.0270 5.0526 5.0778 5.2395 5.2607 5.7295 5.7588 5.9636 6.0614 6.2351 6.2462 6.3255 6.3470 6.8286 6.8585 8.0287 8.0328 9.7147 9.7562 10.7769 10.8042 10.8668 10.8677 k = 0.2269-0.3996 0.6566 ( 3941 PWs) bands (ev): -7.8161 -7.8139 -6.4751 -6.4720 -6.2927 -6.2914 -1.1883 -1.1842 1.1254 1.1273 1.2267 1.2310 2.1442 2.1612 3.0359 3.0452 3.0959 3.1016 3.1533 3.1561 3.2487 3.2560 3.3081 3.3123 4.8333 4.8691 4.8998 4.9344 5.0198 5.0262 5.0510 5.0760 5.2421 5.2631 5.7221 5.7521 5.9803 6.0699 6.2560 6.2677 6.3901 6.3999 6.8570 6.8891 7.9208 7.9221 9.6708 9.7078 10.7577 10.7751 10.8708 10.8795 k = 0.2327-0.4099 0.6402 ( 3937 PWs) bands (ev): -7.8385 -7.8364 -6.4803 -6.4774 -6.3031 -6.3019 -1.1521 -1.1484 1.1062 1.1085 1.2863 1.2900 2.1456 2.1638 3.0480 3.0578 3.1099 3.1148 3.1620 3.1654 3.2514 3.2581 3.3179 3.3219 4.8420 4.8705 4.9042 4.9346 5.0223 5.0251 5.0496 5.0739 5.2442 5.2653 5.7152 5.7450 5.9969 6.0765 6.2767 6.2850 6.4547 6.4565 6.8837 6.9180 7.8128 7.8138 9.6307 9.6635 10.7245 10.7362 10.8866 10.8989 k = 0.2386-0.4202 0.6238 ( 3933 PWs) bands (ev): -7.8593 -7.8573 -6.4853 -6.4826 -6.3129 -6.3117 -1.1197 -1.1163 1.0883 1.0906 1.3481 1.3507 2.1456 2.1648 3.0575 3.0672 3.1239 3.1280 3.1716 3.1749 3.2546 3.2606 3.3275 3.3313 4.8499 4.8713 4.9089 4.9344 5.0237 5.0247 5.0486 5.0715 5.2454 5.2669 5.7088 5.7380 6.0128 6.0812 6.2969 6.3001 6.5142 6.5188 6.9084 6.9448 7.7069 7.7099 9.5938 9.6226 10.6836 10.6924 10.9084 10.9216 k = 0.2444-0.4305 0.6074 ( 3935 PWs) bands (ev): -7.8783 -7.8765 -6.4901 -6.4876 -6.3219 -6.3209 -1.0909 -1.0880 1.0718 1.0740 1.4110 1.4122 2.1443 2.1645 3.0646 3.0739 3.1375 3.1410 3.1819 3.1845 3.2583 3.2632 3.3368 3.3405 4.8569 4.8715 4.9137 4.9342 5.0226 5.0267 5.0479 5.0688 5.2453 5.2676 5.7030 5.7310 6.0273 6.0839 6.3137 6.3163 6.5716 6.5816 6.9311 6.9695 7.6066 7.6110 9.5596 9.5848 10.6388 10.6458 10.9331 10.9461 k = 0.2503-0.4408 0.5910 ( 3939 PWs) bands (ev): -7.8956 -7.8940 -6.4945 -6.4922 -6.3302 -6.3292 -1.0657 -1.0632 1.0567 1.0587 1.4735 1.4739 2.1421 2.1631 3.0698 3.0784 3.1503 3.1532 3.1924 3.1939 3.2624 3.2660 3.3458 3.3493 4.8628 4.8712 4.9186 4.9340 5.0214 5.0287 5.0476 5.0659 5.2440 5.2671 5.6978 5.7243 6.0398 6.0846 6.3265 6.3347 6.6275 6.6424 6.9515 6.9918 7.5137 7.5191 9.5280 9.5498 10.5921 10.5980 10.9593 10.9715 k = 0.2561-0.4511 0.5746 ( 3947 PWs) bands (ev): -7.9112 -7.9097 -6.4986 -6.4966 -6.3377 -6.3368 -1.0439 -1.0416 1.0431 1.0449 1.5334 1.5355 2.1392 2.1608 3.0736 3.0812 3.1621 3.1643 3.2023 3.2028 3.2668 3.2691 3.3545 3.3578 4.8673 4.8705 4.9235 4.9340 5.0203 5.0309 5.0477 5.0628 5.2413 5.2650 5.6933 5.7179 6.0496 6.0832 6.3388 6.3519 6.6812 6.7005 6.9696 7.0116 7.4295 7.4354 9.4988 9.5175 10.5453 10.5503 10.9860 10.9973 k = 0.2620-0.4614 0.5582 ( 3947 PWs) bands (ev): -7.9250 -7.9237 -6.5023 -6.5005 -6.3443 -6.3436 -1.0252 -1.0233 1.0311 1.0326 1.5909 1.5947 2.1359 2.1578 3.0762 3.0828 3.1726 3.1742 3.2106 3.2115 3.2715 3.2725 3.3628 3.3659 4.8694 4.8706 4.9282 4.9344 5.0195 5.0331 5.0481 5.0595 5.2373 5.2615 5.6895 5.7119 6.0564 6.0799 6.3509 6.3677 6.7318 6.7551 6.9855 7.0288 7.3552 7.3612 9.4721 9.4880 10.4999 10.5042 11.0125 11.0226 k = 0.2678-0.4717 0.5418 ( 3947 PWs) bands (ev): -7.9369 -7.9358 -6.5056 -6.5040 -6.3501 -6.3495 -1.0094 -1.0078 1.0205 1.0219 1.6447 1.6500 2.1325 2.1542 3.0781 3.0836 3.1817 3.1828 3.2177 3.2193 3.2760 3.2762 3.3705 3.3734 4.8682 4.8722 4.9327 4.9355 5.0190 5.0354 5.0489 5.0563 5.2324 5.2563 5.6864 5.7063 6.0601 6.0753 6.3630 6.3817 6.7786 6.8052 6.9990 7.0429 7.2914 7.2972 9.4481 9.4615 10.4572 10.4609 11.0380 11.0469 k = 0.2737-0.4820 0.5254 ( 3949 PWs) bands (ev): -7.9471 -7.9462 -6.5084 -6.5071 -6.3551 -6.3545 -0.9964 -0.9951 1.0116 1.0127 1.6935 1.7001 2.1291 2.1500 3.0794 3.0839 3.1892 3.1900 3.2236 3.2257 3.2798 3.2804 3.3775 3.3801 4.8670 4.8725 4.9366 4.9373 5.0190 5.0374 5.0498 5.0533 5.2270 5.2498 5.6840 5.7011 6.0609 6.0697 6.3749 6.3937 6.8208 6.8498 7.0103 7.0539 7.2384 7.2437 9.4272 9.4381 10.4185 10.4216 11.0619 11.0695 k = 0.2795-0.4923 0.5090 ( 3951 PWs) bands (ev): -7.9554 -7.9547 -6.5107 -6.5097 -6.3592 -6.3587 -0.9860 -0.9850 1.0043 1.0052 1.7362 1.7434 2.1263 2.1454 3.0803 3.0839 3.1953 3.1958 3.2285 3.2306 3.2834 3.2843 3.3837 3.3859 4.8658 4.8716 4.9393 4.9403 5.0196 5.0384 5.0506 5.0515 5.2217 5.2424 5.6824 5.6964 6.0596 6.0639 6.3862 6.4036 6.8578 6.8875 7.0199 7.0613 7.1962 7.2008 9.4096 9.4182 10.3850 10.3876 11.0834 11.0897 k = 0.2854-0.5026 0.4927 ( 3949 PWs) bands (ev): -7.9619 -7.9613 -6.5125 -6.5117 -6.3623 -6.3620 -0.9780 -0.9773 0.9986 0.9992 1.7716 1.7785 2.1244 2.1405 3.0810 3.0836 3.1998 3.2003 3.2323 3.2341 3.2866 3.2876 3.3889 3.3906 4.8649 4.8701 4.9416 4.9431 5.0207 5.0375 5.0505 5.0521 5.2174 5.2345 5.6816 5.6923 6.0571 6.0587 6.3965 6.4108 6.8891 6.9169 7.0285 7.0650 7.1644 7.1682 9.3957 9.4021 10.3579 10.3598 11.1018 11.1067 k = 0.2912-0.5129 0.4763 ( 3951 PWs) bands (ev): -7.9665 -7.9661 -6.5137 -6.5132 -6.3646 -6.3643 -0.9724 -0.9719 0.9945 0.9950 1.7986 1.8041 2.1237 2.1356 3.0815 3.0833 3.2030 3.2034 3.2352 3.2364 3.2892 3.2899 3.3928 3.3940 4.8645 4.8682 4.9436 4.9450 5.0225 5.0348 5.0513 5.0530 5.2147 5.2271 5.6816 5.6888 6.0544 6.0546 6.4051 6.4153 6.9142 6.9363 7.0370 7.0647 7.1425 7.1454 9.3858 9.3900 10.3379 10.3392 11.1162 11.1195 k = 0.2971-0.5232 0.4599 ( 3948 PWs) bands (ev): -7.9692 -7.9690 -6.5144 -6.5142 -6.3659 -6.3658 -0.9690 -0.9687 0.9921 0.9924 1.8161 1.8192 2.1246 2.1309 3.0820 3.0829 3.2049 3.2053 3.2370 3.2377 3.2910 3.2913 3.3954 3.3960 4.8646 4.8665 4.9452 4.9462 5.0250 5.0315 5.0522 5.0535 5.2143 5.2208 5.6823 5.6860 6.0520 6.0522 6.4117 6.4170 6.9324 6.9448 7.0457 7.0608 7.1301 7.1318 9.3802 9.3823 10.3257 10.3264 11.1257 11.1274 k = 0.3029-0.5335 0.4435 ( 3955 PWs) bands (ev): -7.9700 -7.9700 -6.5146 -6.5146 -6.3663 -6.3663 -0.9678 -0.9678 0.9914 0.9914 1.8231 1.8232 2.1271 2.1271 3.0824 3.0825 3.2055 3.2059 3.2377 3.2380 3.2915 3.2917 3.3964 3.3965 4.8652 4.8654 4.9458 4.9464 5.0275 5.0286 5.0526 5.0536 5.2161 5.2165 5.6837 5.6839 6.0512 6.0513 6.4157 6.4158 6.9430 6.9431 7.0540 7.0542 7.1266 7.1268 9.3790 9.3790 10.3218 10.3219 11.1295 11.1295 k = 0.6971-0.0631 0.2885 ( 3955 PWs) bands (ev): -7.9700 -7.9700 -6.5146 -6.5146 -6.3663 -6.3663 -0.9678 -0.9678 0.9914 0.9914 1.8231 1.8232 2.1271 2.1271 3.0824 3.0825 3.2055 3.2059 3.2377 3.2380 3.2915 3.2917 3.3964 3.3965 4.8652 4.8654 4.9458 4.9464 5.0275 5.0286 5.0526 5.0536 5.2161 5.2165 5.6837 5.6839 6.0512 6.0513 6.4157 6.4158 6.9430 6.9431 7.0540 7.0542 7.1266 7.1268 9.3790 9.3790 10.3218 10.3219 11.1295 11.1295 k = 0.6888-0.0486 0.2764 ( 3953 PWs) bands (ev): -7.9744 -7.9744 -6.4944 -6.4944 -6.3836 -6.3836 -0.9601 -0.9601 1.0273 1.0273 1.7942 1.7942 2.1248 2.1248 3.0794 3.0795 3.2101 3.2106 3.2358 3.2361 3.2890 3.2892 3.4008 3.4009 4.8672 4.8674 4.9398 4.9405 5.0236 5.0246 5.0520 5.0530 5.2119 5.2125 5.6629 5.6631 6.0819 6.0821 6.4048 6.4049 6.9493 6.9495 7.0737 7.0740 7.1037 7.1041 9.3505 9.3505 10.3074 10.3074 11.1039 11.1039 k = 0.6806-0.0342 0.2644 ( 3960 PWs) bands (ev): -7.9799 -7.9799 -6.4727 -6.4727 -6.4005 -6.4005 -0.9538 -0.9538 1.0654 1.0655 1.7682 1.7682 2.1223 2.1223 3.0744 3.0745 3.2119 3.2124 3.2340 3.2343 3.2864 3.2866 3.4050 3.4051 4.8670 4.8673 4.9337 4.9343 5.0195 5.0203 5.0515 5.0524 5.2099 5.2105 5.6445 5.6447 6.1121 6.1122 6.3960 6.3961 6.9487 6.9489 7.0573 7.0574 7.1174 7.1175 9.3237 9.3237 10.3019 10.3019 11.0784 11.0784 k = 0.6724-0.0197 0.2524 ( 3952 PWs) bands (ev): -7.9863 -7.9863 -6.4496 -6.4496 -6.4171 -6.4171 -0.9489 -0.9489 1.1058 1.1058 1.7453 1.7453 2.1196 2.1196 3.0671 3.0672 3.2114 3.2118 3.2321 3.2323 3.2837 3.2839 3.4091 3.4092 4.8639 4.8643 4.9286 4.9293 5.0155 5.0160 5.0511 5.0519 5.2100 5.2106 5.6285 5.6288 6.1407 6.1408 6.3893 6.3894 6.9412 6.9414 7.0298 7.0299 7.1427 7.1428 9.2989 9.2989 10.3053 10.3053 11.0531 11.0531 k = 0.6642-0.0053 0.2404 ( 3958 PWs) bands (ev): -7.9934 -7.9934 -6.4338 -6.4338 -6.4250 -6.4249 -0.9456 -0.9456 1.1481 1.1481 1.7255 1.7255 2.1168 2.1168 3.0573 3.0574 3.2091 3.2095 3.2297 3.2299 3.2808 3.2811 3.4130 3.4131 4.8572 4.8575 4.9254 4.9260 5.0116 5.0119 5.0507 5.0514 5.2120 5.2126 5.6150 5.6152 6.1665 6.1666 6.3845 6.3845 6.9270 6.9273 7.0032 7.0034 7.1684 7.1685 9.2763 9.2763 10.3175 10.3175 11.0281 11.0281 k = 0.6560 0.0092 0.2284 ( 3956 PWs) bands (ev): -8.0012 -8.0012 -6.4493 -6.4493 -6.4001 -6.4001 -0.9438 -0.9438 1.1924 1.1924 1.7088 1.7088 2.1138 2.1138 3.0448 3.0448 3.2059 3.2062 3.2265 3.2267 3.2780 3.2782 3.4168 3.4169 4.8472 4.8475 4.9242 4.9247 5.0078 5.0080 5.0502 5.0508 5.2158 5.2165 5.6041 5.6043 6.1885 6.1886 6.3815 6.3815 6.9068 6.9070 6.9794 6.9796 7.1935 7.1936 9.2562 9.2562 10.3382 10.3382 11.0037 11.0037 k = 0.6478 0.0237 0.2163 ( 3960 PWs) bands (ev): -8.0094 -8.0094 -6.4645 -6.4645 -6.3744 -6.3744 -0.9436 -0.9436 1.2384 1.2384 1.6952 1.6952 2.1107 2.1107 3.0294 3.0294 3.2019 3.2022 3.2226 3.2228 3.2751 3.2754 3.4205 3.4206 4.8347 4.8350 4.9244 4.9248 5.0043 5.0044 5.0496 5.0501 5.2214 5.2221 5.5957 5.5959 6.2052 6.2053 6.3802 6.3803 6.8809 6.8812 6.9593 6.9595 7.2177 7.2177 9.2386 9.2387 10.3670 10.3670 10.9799 10.9799 k = 0.6396 0.0381 0.2043 ( 3968 PWs) bands (ev): -8.0180 -8.0180 -6.4792 -6.4792 -6.3482 -6.3482 -0.9449 -0.9449 1.2861 1.2861 1.6845 1.6846 2.1076 2.1076 3.0111 3.0111 3.1973 3.1975 3.2182 3.2183 3.2724 3.2726 3.4240 3.4240 4.8208 4.8210 4.9252 4.9256 5.0010 5.0012 5.0489 5.0494 5.2285 5.2292 5.5899 5.5901 6.2155 6.2156 6.3805 6.3806 6.8501 6.8503 6.9439 6.9441 7.2408 7.2408 9.2238 9.2238 10.4035 10.4035 10.9570 10.9570 k = 0.6314 0.0526 0.1923 ( 3968 PWs) bands (ev): -8.0267 -8.0267 -6.4933 -6.4933 -6.3219 -6.3219 -0.9475 -0.9475 1.3353 1.3353 1.6768 1.6768 2.1044 2.1044 2.9898 2.9898 3.1916 3.1917 3.2138 3.2139 3.2698 3.2700 3.4274 3.4274 4.8061 4.8063 4.9262 4.9265 4.9980 4.9984 5.0482 5.0486 5.2373 5.2379 5.5867 5.5869 6.2185 6.2186 6.3823 6.3824 6.8149 6.8150 6.9342 6.9343 7.2627 7.2627 9.2116 9.2116 10.4470 10.4470 10.9349 10.9349 k = 0.6232 0.0670 0.1803 ( 3964 PWs) bands (ev): -8.0355 -8.0355 -6.5068 -6.5068 -6.2957 -6.2957 -0.9515 -0.9515 1.3859 1.3859 1.6717 1.6717 2.1012 2.1012 2.9656 2.9656 3.1846 3.1846 3.2098 3.2100 3.2675 3.2677 3.4307 3.4307 4.7913 4.7915 4.9270 4.9273 4.9956 4.9961 5.0474 5.0478 5.2475 5.2481 5.5860 5.5862 6.2139 6.2139 6.3853 6.3854 6.7758 6.7759 6.9304 6.9305 7.2834 7.2835 9.2020 9.2020 10.4968 10.4968 10.9139 10.9140 k = 0.6149 0.0815 0.1683 ( 3974 PWs) bands (ev): -8.0443 -8.0443 -6.5197 -6.5197 -6.2698 -6.2698 -0.9565 -0.9565 1.4376 1.4376 1.6691 1.6692 2.0980 2.0980 2.9386 2.9386 3.1760 3.1761 3.2067 3.2069 3.2654 3.2656 3.4338 3.4339 4.7766 4.7767 4.9272 4.9276 4.9937 4.9942 5.0466 5.0469 5.2592 5.2598 5.5877 5.5880 6.2016 6.2016 6.3892 6.3893 6.7334 6.7335 6.9323 6.9324 7.3029 7.3029 9.1949 9.1949 10.5523 10.5523 10.8942 10.8942 k = 0.6067 0.0960 0.1562 ( 3972 PWs) bands (ev): -8.0529 -8.0529 -6.5318 -6.5318 -6.2445 -6.2445 -0.9626 -0.9626 1.4903 1.4903 1.6688 1.6688 2.0949 2.0949 2.9089 2.9089 3.1661 3.1662 3.2043 3.2045 3.2635 3.2637 3.4368 3.4369 4.7624 4.7625 4.9268 4.9272 4.9925 4.9931 5.0457 5.0461 5.2723 5.2729 5.5920 5.5922 6.1825 6.1825 6.3938 6.3939 6.6886 6.6887 6.9394 6.9395 7.3210 7.3210 9.1902 9.1902 10.6125 10.6126 10.8760 10.8760 k = 0.5985 0.1104 0.1442 ( 3970 PWs) bands (ev): -8.0612 -8.0612 -6.5431 -6.5431 -6.2200 -6.2200 -0.9694 -0.9694 1.5438 1.5438 1.6705 1.6705 2.0918 2.0918 2.8768 2.8768 3.1554 3.1554 3.2026 3.2028 3.2619 3.2620 3.4396 3.4397 4.7489 4.7490 4.9258 4.9262 4.9919 4.9926 5.0449 5.0452 5.2869 5.2874 5.5986 5.5988 6.1575 6.1575 6.3989 6.3990 6.6421 6.6422 6.9506 6.9506 7.3379 7.3379 9.1875 9.1875 10.6762 10.6763 10.8600 10.8600 k = 0.5903 0.1249 0.1322 ( 3970 PWs) bands (ev): -8.0692 -8.0692 -6.5537 -6.5537 -6.1965 -6.1965 -0.9767 -0.9767 1.5978 1.5979 1.6738 1.6738 2.0889 2.0889 2.8425 2.8425 3.1440 3.1440 3.2013 3.2015 3.2605 3.2606 3.4424 3.4424 4.7361 4.7362 4.9242 4.9246 4.9920 4.9926 5.0440 5.0443 5.3028 5.3033 5.6074 5.6076 6.1278 6.1278 6.4040 6.4041 6.5947 6.5948 6.9647 6.9647 7.3534 7.3534 9.1866 9.1866 10.7403 10.7403 10.8486 10.8486 k = 0.5821 0.1393 0.1202 ( 3982 PWs) bands (ev): -8.0768 -8.0768 -6.5635 -6.5635 -6.1743 -6.1743 -0.9845 -0.9845 1.6520 1.6521 1.6786 1.6788 2.0861 2.0861 2.8062 2.8062 3.1323 3.1324 3.2004 3.2005 3.2592 3.2593 3.4449 3.4449 4.7241 4.7242 4.9221 4.9225 4.9925 4.9931 5.0432 5.0435 5.3200 5.3205 5.6183 5.6186 6.0945 6.0945 6.4087 6.4088 6.5474 6.5475 6.9805 6.9805 7.3675 7.3675 9.1871 9.1871 10.7888 10.7889 10.8570 10.8570 k = 0.5739 0.1538 0.1082 ( 3982 PWs) bands (ev): -8.0838 -8.0838 -6.5724 -6.5724 -6.1535 -6.1535 -0.9923 -0.9923 1.6833 1.6834 1.7074 1.7075 2.0835 2.0835 2.7682 2.7682 3.1206 3.1207 3.1997 3.1998 3.2582 3.2583 3.4472 3.4473 4.7133 4.7133 4.9196 4.9200 4.9934 4.9940 5.0424 5.0427 5.3386 5.3391 5.6312 5.6314 6.0588 6.0589 6.4117 6.4119 6.5020 6.5021 6.9972 6.9972 7.3803 7.3803 9.1889 9.1889 10.7956 10.7957 10.9106 10.9107 k = 0.5657 0.1683 0.0962 ( 3978 PWs) bands (ev): -8.0903 -8.0903 -6.5804 -6.5804 -6.1343 -6.1343 -1.0000 -1.0000 1.6899 1.6899 1.7613 1.7614 2.0811 2.0812 2.7287 2.7288 3.1093 3.1094 3.1993 3.1994 3.2573 3.2574 3.4494 3.4495 4.7034 4.7035 4.9170 4.9173 4.9945 4.9951 5.0417 5.0419 5.3583 5.3588 5.6457 5.6459 6.0219 6.0219 6.4080 6.4083 6.4639 6.4641 7.0138 7.0138 7.3917 7.3917 9.1915 9.1915 10.7878 10.7878 10.9813 10.9813 k = 0.5575 0.1827 0.0841 ( 3968 PWs) bands (ev): -8.0961 -8.0961 -6.5876 -6.5876 -6.1169 -6.1169 -1.0074 -1.0074 1.6965 1.6965 1.8147 1.8148 2.0790 2.0790 2.6884 2.6884 3.0986 3.0986 3.1989 3.1990 3.2566 3.2567 3.4514 3.4515 4.6947 4.6948 4.9143 4.9146 4.9958 4.9963 5.0411 5.0413 5.3791 5.3795 5.6614 5.6616 5.9847 5.9847 6.3850 6.3851 6.4466 6.4468 7.0297 7.0297 7.4018 7.4018 9.1946 9.1946 10.7783 10.7783 11.0436 11.0438 k = 0.5493 0.1972 0.0721 ( 3964 PWs) bands (ev): -8.1013 -8.1013 -6.5938 -6.5938 -6.1015 -6.1015 -1.0143 -1.0143 1.7030 1.7030 1.8669 1.8669 2.0771 2.0771 2.6476 2.6476 3.0886 3.0887 3.1987 3.1988 3.2560 3.2560 3.4532 3.4532 4.6871 4.6872 4.9118 4.9120 4.9971 4.9975 5.0405 5.0407 5.4005 5.4008 5.6778 5.6780 5.9483 5.9483 6.3479 6.3480 6.4452 6.4453 7.0444 7.0444 7.4105 7.4105 9.1979 9.1979 10.7693 10.7693 11.0609 11.0609 k = 0.5411 0.2116 0.0601 ( 3964 PWs) bands (ev): -8.1058 -8.1058 -6.5992 -6.5992 -6.0883 -6.0883 -1.0204 -1.0204 1.7091 1.7091 1.9169 1.9169 2.0754 2.0754 2.6072 2.6073 3.0798 3.0798 3.1986 3.1987 3.2554 3.2555 3.4547 3.4547 4.6807 4.6807 4.9095 4.9097 4.9983 4.9986 5.0400 5.0402 5.4221 5.4224 5.6940 5.6942 5.9138 5.9139 6.3097 6.3097 6.4475 6.4476 7.0573 7.0573 7.4179 7.4179 9.2011 9.2011 10.7614 10.7615 11.0768 11.0768 k = 0.5328 0.2261 0.0481 ( 3972 PWs) bands (ev): -8.1094 -8.1094 -6.6035 -6.6035 -6.0772 -6.0772 -1.0257 -1.0257 1.7146 1.7146 1.9636 1.9636 2.0741 2.0741 2.5684 2.5684 3.0722 3.0722 3.1985 3.1985 3.2550 3.2551 3.4559 3.4559 4.6753 4.6753 4.9074 4.9076 4.9993 4.9996 5.0396 5.0397 5.4432 5.4435 5.7088 5.7090 5.8828 5.8828 6.2744 6.2745 6.4504 6.4504 7.0683 7.0683 7.4239 7.4239 9.2041 9.2041 10.7548 10.7548 11.0936 11.0936 k = 0.5246 0.2405 0.0361 ( 3976 PWs) bands (ev): -8.1123 -8.1123 -6.6069 -6.6069 -6.0685 -6.0685 -1.0299 -1.0299 1.7191 1.7191 2.0052 2.0052 2.0730 2.0731 2.5329 2.5329 3.0661 3.0661 3.1984 3.1985 3.2547 3.2548 3.4568 3.4569 4.6712 4.6712 4.9058 4.9059 5.0002 5.0004 5.0392 5.0393 5.4627 5.4630 5.7208 5.7210 5.8570 5.8570 6.2442 6.2443 6.4531 6.4531 7.0771 7.0771 7.4286 7.4286 9.2066 9.2066 10.7496 10.7496 11.1098 11.1098 k = 0.5164 0.2550 0.0240 ( 3974 PWs) bands (ev): -8.1144 -8.1144 -6.6094 -6.6094 -6.0622 -6.0622 -1.0331 -1.0331 1.7224 1.7224 2.0391 2.0391 2.0724 2.0725 2.5032 2.5032 3.0616 3.0616 3.1984 3.1984 3.2545 3.2546 3.4576 3.4576 4.6682 4.6682 4.9046 4.9047 5.0008 5.0010 5.0390 5.0390 5.4791 5.4793 5.7285 5.7287 5.8385 5.8385 6.2209 6.2209 6.4551 6.4552 7.0834 7.0834 7.4319 7.4319 9.2085 9.2085 10.7459 10.7459 11.1235 11.1235 k = 0.5082 0.2695 0.0120 ( 3974 PWs) bands (ev): -8.1157 -8.1157 -6.6109 -6.6109 -6.0585 -6.0585 -1.0350 -1.0350 1.7245 1.7245 2.0612 2.0613 2.0727 2.0728 2.4830 2.4830 3.0589 3.0589 3.1984 3.1984 3.2544 3.2544 3.4580 3.4580 4.6664 4.6664 4.9038 4.9039 5.0012 5.0013 5.0388 5.0389 5.4903 5.4904 5.7317 5.7318 5.8283 5.8283 6.2061 6.2061 6.4564 6.4564 7.0873 7.0873 7.4339 7.4339 9.2097 9.2097 10.7436 10.7436 11.1326 11.1326 k = 0.5000 0.2839 0.0000 ( 3974 PWs) bands (ev): -8.1161 -8.1161 -6.6113 -6.6113 -6.0572 -6.0572 -1.0356 -1.0356 1.7253 1.7253 2.0676 2.0676 2.0745 2.0745 2.4757 2.4757 3.0580 3.0580 3.1984 3.1984 3.2543 3.2543 3.4581 3.4581 4.6658 4.6658 4.9036 4.9036 5.0014 5.0014 5.0388 5.0388 5.4944 5.4944 5.7324 5.7324 5.8252 5.8252 6.2009 6.2009 6.4568 6.4568 7.0886 7.0886 7.4346 7.4346 9.2101 9.2101 10.7429 10.7429 11.1359 11.1359 Writing output data file Cu2GeS3.save init_run : 4.01s CPU 12.29s WALL ( 1 calls) electrons : 931.97s CPU 941.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.38s CPU 1.47s WALL ( 1 calls) Called by electrons: c_bands : 931.93s CPU 941.05s WALL ( 1 calls) v_of_rho : 0.20s CPU 0.97s WALL ( 1 calls) v_h : 0.02s CPU 0.13s WALL ( 1 calls) v_xc : 0.17s CPU 0.59s WALL ( 1 calls) newd : 0.41s CPU 0.63s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 375 calls) cegterg : 852.59s CPU 858.56s WALL ( 735 calls) Called by sum_band: Called by *egterg: h_psi : 524.65s CPU 533.21s WALL ( 10848 calls) s_psi : 43.51s CPU 43.95s WALL ( 10848 calls) g_psi : 0.65s CPU 0.69s WALL ( 9738 calls) cdiaghg : 230.54s CPU 228.45s WALL ( 10113 calls) cegterg:over : 52.88s CPU 50.36s WALL ( 9738 calls) cegterg:upda : 11.30s CPU 14.17s WALL ( 9738 calls) cegterg:last : 9.71s CPU 10.47s WALL ( 2001 calls) Called by h_psi: h_psi:vloc : 444.15s CPU 450.97s WALL ( 10848 calls) h_psi:vnl : 80.18s CPU 81.54s WALL ( 10848 calls) add_vuspsi : 30.07s CPU 33.71s WALL ( 10848 calls) General routines calbec : 50.07s CPU 47.72s WALL ( 10848 calls) fft : 0.12s CPU 1.32s WALL ( 19 calls) ffts : 0.00s CPU 0.05s WALL ( 4 calls) fftw : 418.11s CPU 425.30s WALL ( 1275988 calls) interpolate : 0.02s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 1.67s WALL ( 750 calls) Parallel routines fft_scatter : 233.40s CPU 236.45s WALL ( 1276011 calls) PWSCF : 16m38.52s CPU 18m25.41s WALL This run was terminated on: 22:17:19 18Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=